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Chen L, Medrano Sandonas L, Traber P, Dianat A, Tverdokhleb N, Hurevich M, Yitzchaik S, Gutierrez R, Croy A, Cuniberti G. MORE-Q, a dataset for molecular olfactorial receptor engineering by quantum mechanics. Sci Data 2025; 12:324. [PMID: 39987132 PMCID: PMC11846975 DOI: 10.1038/s41597-025-04616-6] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [Grants] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 09/11/2024] [Accepted: 02/11/2025] [Indexed: 02/24/2025] Open
Abstract
We introduce the MORE-Q dataset, a quantum-mechanical (QM) dataset encompassing the structural and electronic data of non-covalent molecular sensors formed by combining 18 mucin-derived olfactorial receptors with 102 body odor volatilome (BOV) molecules. To have a better understanding of their intra- and inter-molecular interactions, we have performed accurate QM calculations in different stages of the sensor design and, accordingly, MORE-Q splits into three subsets: i) MORE-Q-G1: QM data of 18 receptors and 102 BOV molecules, ii) MORE-Q-G2: QM data of 23,838 BOV-receptor configurations, and iii) MORE-Q-G3: QM data of 1,836 BOV-receptor-graphene systems. Each subset involves geometries optimized using GFN2-xTB with D4 dispersion correction and up to 39 physicochemical properties, including global and local properties as well as binding features, all computed at the tightly converged PBE+D3 level of theory. By addressing BOV-receptor-graphene systems from a QM perspective, MORE-Q can serve as a benchmark dataset for state-of-the-art machine learning methods developed to predict binding features. This, in turn, can provide valuable insights for developing the next-generation mucin-derived olfactory receptor sensing devices.
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Affiliation(s)
- Li Chen
- Institute for Materials Science and Max Bergmann Center for Biomaterials, TUD Dresden University of Technology, 01062, Dresden, Germany
| | - Leonardo Medrano Sandonas
- Institute for Materials Science and Max Bergmann Center for Biomaterials, TUD Dresden University of Technology, 01062, Dresden, Germany.
| | - Philipp Traber
- Institute of Physical Chemistry, Friedrich Schiller University Jena, 07737, Jena, Germany
| | - Arezoo Dianat
- Institute for Materials Science and Max Bergmann Center for Biomaterials, TUD Dresden University of Technology, 01062, Dresden, Germany
| | - Nina Tverdokhleb
- Institute for Materials Science and Max Bergmann Center for Biomaterials, TUD Dresden University of Technology, 01062, Dresden, Germany
| | - Mattan Hurevich
- Institute of Chemistry and Center of Nanotechnology, The Hebrew University of Jerusalem, Jerusalem, 91904, Israel
| | - Shlomo Yitzchaik
- Institute of Chemistry and Center of Nanotechnology, The Hebrew University of Jerusalem, Jerusalem, 91904, Israel
| | - Rafael Gutierrez
- Institute for Materials Science and Max Bergmann Center for Biomaterials, TUD Dresden University of Technology, 01062, Dresden, Germany
| | - Alexander Croy
- Institute of Physical Chemistry, Friedrich Schiller University Jena, 07737, Jena, Germany.
| | - Gianaurelio Cuniberti
- Institute for Materials Science and Max Bergmann Center for Biomaterials, TUD Dresden University of Technology, 01062, Dresden, Germany.
- Dresden Center for Computational Materials Science (DCMS), TUD Dresden University of Technology, 01062, Dresden, Germany.
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Xiong H, Zhang X, Sun J, Xue Y, Yu W, Mou S, Hsia KJ, Wan H, Wang P. Recent advances in biosensors detecting biomarkers from exhaled breath and saliva for respiratory disease diagnosis. Biosens Bioelectron 2025; 267:116820. [PMID: 39374569 DOI: 10.1016/j.bios.2024.116820] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 05/28/2024] [Revised: 09/06/2024] [Accepted: 09/28/2024] [Indexed: 10/09/2024]
Abstract
The global demand for rapid and non-invasive diagnostic methods for respiratory diseases has significantly intensified due to the wide spread of respiratory infectious diseases. Recent advancements in respiratory disease diagnosis through the analysis of exhaled breath and saliva has attracted great attention all over the world. Among various analytical methods, biosensors can offer non-invasive, efficient, and cost-effective diagnostic capabilities, emerging as promising tools in this area. This review intends to provide a comprehensive overview of various biosensors for the detection of respiratory disease related biomarkers in exhaled breath and saliva. Firstly, the characteristics of exhaled breath and saliva, including their generation, composition, and relevant biomarkers are introduced. Subsequently, the design and application of various biosensors for detecting these biomarkers are presented, along with the innovative materials employed as sensitive components. Different types of biosensors are reviewed, including electrochemical, optical, piezoelectric, semiconductor, and other novel biosensors. At last, the challenges, limitations, and future trends of these biosensors are discussed. It is anticipated that biosensors will play a significant role in respiratory disease diagnosis in the future.
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Affiliation(s)
- Hangming Xiong
- Biosensor National Special Laboratory, Key Laboratory of Biomedical Engineering of Education Ministry, Department of Biomedical Engineering, Zhejiang University, Hangzhou 310027, China; Binjiang Institute of Zhejiang University, Hangzhou 310053, China
| | - Xiaojing Zhang
- Biosensor National Special Laboratory, Key Laboratory of Biomedical Engineering of Education Ministry, Department of Biomedical Engineering, Zhejiang University, Hangzhou 310027, China; Cancer Center, Zhejiang University, Hangzhou 310058, China
| | - Jiaying Sun
- Biosensor National Special Laboratory, Key Laboratory of Biomedical Engineering of Education Ministry, Department of Biomedical Engineering, Zhejiang University, Hangzhou 310027, China
| | - Yingying Xue
- Biosensor National Special Laboratory, Key Laboratory of Biomedical Engineering of Education Ministry, Department of Biomedical Engineering, Zhejiang University, Hangzhou 310027, China; Cancer Center, Zhejiang University, Hangzhou 310058, China
| | - Weijie Yu
- Biosensor National Special Laboratory, Key Laboratory of Biomedical Engineering of Education Ministry, Department of Biomedical Engineering, Zhejiang University, Hangzhou 310027, China; Binjiang Institute of Zhejiang University, Hangzhou 310053, China
| | - Shimeng Mou
- Biosensor National Special Laboratory, Key Laboratory of Biomedical Engineering of Education Ministry, Department of Biomedical Engineering, Zhejiang University, Hangzhou 310027, China; Cancer Center, Zhejiang University, Hangzhou 310058, China
| | - K Jimmy Hsia
- Schools of Chemical & Biomedical Engineering, Nanyang Technological University, Singapore 639798, Singapore
| | - Hao Wan
- Biosensor National Special Laboratory, Key Laboratory of Biomedical Engineering of Education Ministry, Department of Biomedical Engineering, Zhejiang University, Hangzhou 310027, China; Binjiang Institute of Zhejiang University, Hangzhou 310053, China.
| | - Ping Wang
- Biosensor National Special Laboratory, Key Laboratory of Biomedical Engineering of Education Ministry, Department of Biomedical Engineering, Zhejiang University, Hangzhou 310027, China; Cancer Center, Zhejiang University, Hangzhou 310058, China.
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Heranjal S, Maciel M, Kamalapally SNR, Ramrakhiani I, Schulz E, Cao S, Liu X, Relich RF, Wek R, Woollam M, Agarwal M. Establishing Healthy Breath Baselines With Tin Oxide Sensors: Fundamental Building Blocks for Noninvasive Health Monitoring. Mil Med 2024; 189:221-229. [PMID: 39160864 DOI: 10.1093/milmed/usae078] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [MESH Headings] [Grants] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 11/29/2023] [Revised: 01/18/2024] [Accepted: 03/04/2024] [Indexed: 08/21/2024] Open
Abstract
INTRODUCTION Volatile organic compounds (VOCs) in breath serve as a source of biomarkers for medical conditions relevant to warfighter health including Corona Virus Disease and other potential biological threats. Electronic noses are integrated arrays of gas sensors that are cost-effective and miniaturized devices that rapidly respond to VOCs in exhaled breath. The current study seeks to qualify healthy breath baselines of exhaled VOC profiles through analysis using a commercialized array of metal oxide (MOX) sensors. MATERIALS AND METHODS Subjects were recruited/consented through word of mouth and using posters. For each sample, breath was analyzed using an array of MOX sensors with parameters that were previously established. Data were also collected using a lifestyle questionnaire and from a blood test to assess markers of general health. Sensor data were processed using a feature extraction algorithm, which were analyzed through statistical approaches to identify correlations with confounding factors. Reproducibility was also assessed through relative standard deviation values of sensor features within a single subject and between different volunteers. RESULTS A total of 164 breath samples were collected from different individuals, and 10 of these volunteers provided an additional 9 samples over 6 months for the longitudinal study. First, data from different subjects were analyzed, and the trends of the 17 extracted features were elucidated. This revealed not only a high degree of correlation between sensors within the array but also between some of the features extracted within a single sensor. This helped guide the removal of multicollinear features for multivariate statistical analyses. No correlations were identified between sensor features and confounding factors of interest (age, body mass index, smoking, and sex) after P-value adjustment, indicating that these variables have an insignificant impact on the observed sensor signal. Finally, the longitudinal replicates were analyzed, and reproducibility assessment showed that the variability between subjects was significantly higher than within replicates of a single volunteer (P-value = .002). Multivariate analyses within the longitudinal data displayed that subjects could not be distinguished from one another, indicating that there may be a universal healthy breath baseline that is not specific to particular individuals. CONCLUSIONS The current study sought to qualify healthy baselines of VOCs in exhaled breath using a MOX sensor array that can be leveraged in the future to detect medical conditions relevant to warfighter health. For example, the results of the study will be useful, as the healthy breath VOC data from the sensor array can be cross-referenced in future studies aiming to use the device to distinguish disease states. Ultimately, the sensors may be integrated into a portable breathalyzer or current military gear to increase warfighter readiness through rapid and noninvasive health monitoring.
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Affiliation(s)
- Shivaum Heranjal
- Integrated Nanosystems Development Institute, Indiana University-Purdue University, Indianapolis, IN 46202, USA
- Department of Electrical and Computer Engineering, Indiana University-Purdue University, Indianapolis, IN 46202, USA
| | - Mariana Maciel
- Integrated Nanosystems Development Institute, Indiana University-Purdue University, Indianapolis, IN 46202, USA
| | - Sai Nishith Reddy Kamalapally
- Integrated Nanosystems Development Institute, Indiana University-Purdue University, Indianapolis, IN 46202, USA
- Department of Mechanical and Energy Engineering, Indiana University-Purdue University, Indianapolis, IN 46202, USA
| | - Ishan Ramrakhiani
- Integrated Nanosystems Development Institute, Indiana University-Purdue University, Indianapolis, IN 46202, USA
| | - Eray Schulz
- Integrated Nanosystems Development Institute, Indiana University-Purdue University, Indianapolis, IN 46202, USA
- Department of Chemistry and Chemical Biology, Indiana University-Purdue University, Indianapolis, IN 46202, USA
| | - Sha Cao
- Department of Biostatistics and Health Data Science, Indiana University School of Medicine, Indianapolis, IN 46202, USA
| | - Xiaowen Liu
- Deming Department of Medicine, Tulane University School of Medicine, New Orleans, LA 70112, USA
| | - Ryan F Relich
- Department of Pathology and Laboratory Medicine, Indiana University School of Medicine, Indianapolis, IN 46202, USA
| | - Ronald Wek
- Department of Biochemistry and Molecular Biology, Indiana University School of Medicine, Indianapolis, IN 46202, USA
| | - Mark Woollam
- Integrated Nanosystems Development Institute, Indiana University-Purdue University, Indianapolis, IN 46202, USA
- Department of Chemistry and Chemical Biology, Indiana University-Purdue University, Indianapolis, IN 46202, USA
| | - Mangilal Agarwal
- Integrated Nanosystems Development Institute, Indiana University-Purdue University, Indianapolis, IN 46202, USA
- Department of Electrical and Computer Engineering, Indiana University-Purdue University, Indianapolis, IN 46202, USA
- Department of Mechanical and Energy Engineering, Indiana University-Purdue University, Indianapolis, IN 46202, USA
- Department of Chemistry and Chemical Biology, Indiana University-Purdue University, Indianapolis, IN 46202, USA
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Wellford SA, Moseman EA. Olfactory immunology: the missing piece in airway and CNS defence. Nat Rev Immunol 2024; 24:381-398. [PMID: 38097777 PMCID: PMC11560121 DOI: 10.1038/s41577-023-00972-9] [Citation(s) in RCA: 8] [Impact Index Per Article: 8.0] [Reference Citation Analysis] [Abstract] [MESH Headings] [Grants] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Accepted: 11/03/2023] [Indexed: 12/23/2023]
Abstract
The olfactory mucosa is a component of the nasal airway that mediates the sense of smell. Recent studies point to an important role for the olfactory mucosa as a barrier to both respiratory pathogens and to neuroinvasive pathogens that hijack the olfactory nerve and invade the CNS. In particular, the COVID-19 pandemic has demonstrated that the olfactory mucosa is an integral part of a heterogeneous nasal mucosal barrier critical to upper airway immunity. However, our insufficient knowledge of olfactory mucosal immunity hinders attempts to protect this tissue from infection and other diseases. This Review summarizes the state of olfactory immunology by highlighting the unique immunologically relevant anatomy of the olfactory mucosa, describing what is known of olfactory immune cells, and considering the impact of common infectious diseases and inflammatory disorders at this site. We will offer our perspective on the future of the field and the many unresolved questions pertaining to olfactory immunity.
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Affiliation(s)
- Sebastian A Wellford
- Department of Integrative Immunobiology, Duke University School of Medicine, Durham, NC, USA
| | - E Ashley Moseman
- Department of Integrative Immunobiology, Duke University School of Medicine, Durham, NC, USA.
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Schulz E, Woollam M, Vashistha S, Agarwal M. Quantifying exhaled acetone and isoprene through solid phase microextraction and gas chromatography-mass spectrometry. Anal Chim Acta 2024; 1301:342468. [PMID: 38553125 DOI: 10.1016/j.aca.2024.342468] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 12/01/2023] [Revised: 03/04/2024] [Accepted: 03/11/2024] [Indexed: 04/02/2024]
Abstract
BACKGROUND Acetone, isoprene, and other volatile organic compounds (VOCs) in exhaled breath have been shown to be biomarkers for many medical conditions. Researchers use different techniques for VOC detection, including solid phase microextraction (SPME), to preconcentrate volatile analytes prior to instrumental analysis by gas chromatography-mass spectrometry (GC-MS). These techniques include a previously developed method to detect VOCs in breath directly using SPME, but it is uncommon for studies to quantify exhaled volatiles because it can be time consuming due to the need of many external/internal standards, and there is no standardized or widely accepted method. The objective of this study was to develop an accessible method to quantify acetone and isoprene in breath by SPME GC-MS. RESULTS A system was developed to mimic human exhalation and expose VOCs to a SPME fiber in the gas phase at known concentrations. VOCs were bubbled/diluted with dry air at a fixed flow rate, duration, and volume that was comparable to a previously developed breath sampling method. Identification of acetone and isoprene through GC-MS was verified using standards and observing overlaps in chromatographic retention/mass spectral fragmentation. Calibration curves were developed for these two analytes, which showed a high degree of linear correlation. Acetone and isoprene displayed limits of detection/quantification equal to 12 ppb/37 ppb and 73 ppb/222 ppb respectively. Quantification results in healthy breath samples (n = 15) showed acetone concentrations spanned between 71 ppb and 294 ppb, and isoprene varied between 170 ppb and 990 ppb. Both concentration ranges for acetone and isoprene in this study overlap with those reported in existing literature. SIGNIFICANCE Results indicate the development of a system to quantify acetone and isoprene in breath that can be adapted to diverse sampling methods and instrumental analyses beyond SPME GC-MS.
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Affiliation(s)
- Eray Schulz
- Integrated Nanosystems Development Institute, Indiana University-Purdue University, Indianapolis, IN, 46202, USA; Department of Chemistry and Chemical Biology, Indiana University-Purdue University, Indianapolis, IN, 46202, USA
| | - Mark Woollam
- Integrated Nanosystems Development Institute, Indiana University-Purdue University, Indianapolis, IN, 46202, USA; Department of Chemistry and Chemical Biology, Indiana University-Purdue University, Indianapolis, IN, 46202, USA
| | - Sneha Vashistha
- Integrated Nanosystems Development Institute, Indiana University-Purdue University, Indianapolis, IN, 46202, USA
| | - Mangilal Agarwal
- Integrated Nanosystems Development Institute, Indiana University-Purdue University, Indianapolis, IN, 46202, USA; Department of Chemistry and Chemical Biology, Indiana University-Purdue University, Indianapolis, IN, 46202, USA; Department of BioHealth Informatics, Indiana University-Purdue University, Indianapolis, IN, 46202, USA.
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Snelleman M, Wessel M, Schoon A. Investigating individual learning behaviour of dogs during a yes/no detection task. Behav Processes 2024; 217:105030. [PMID: 38636131 DOI: 10.1016/j.beproc.2024.105030] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 01/08/2024] [Revised: 04/09/2024] [Accepted: 04/15/2024] [Indexed: 04/20/2024]
Abstract
Detection dogs are frequently tested for their ability to detect a variety of targets. It is crucial to comprehend the processes for odour learning and the consequences of training on an expanding set of target scents on performance. To properly evaluate their ability to identify the target, the only true measure is the dogs' initial response to novel sources, since this excludes learning effects. In this study, we evaluated the individual learning processes of three detection dogs that were pre-trained to differentially respond to a faecal sample of a mare in oestrus (S+) and a faecal sample of the same mare in di-oestrus (S-). After reaching criterion during a test with known training samples, the dogs were tested for generalization to a novel source. Average responses to S+ and S- were calculated as a function of presentation sequence, and Signal Detection Theory was used to further analyse characteristic differences in learning. The results of this study suggest that the ability of individual scent detection dogs to learn within an olfactory discrimination test varies considerably. The information obtained in this study could be helpful for mitigation training. We show that through careful monitoring of individual learning processes, the strategy each dog followed becomes apparent: especially the observations on the dogs' responses to first encounters with novel sample sources. This provides us with more detailed information than the more traditional sensitivity and specificity measures and allows us to better predict the dog's capabilities.
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Affiliation(s)
| | - Myrthe Wessel
- Specialistische Voortplantingspraktijk, Amsterdam, the Netherlands
| | - Adee Schoon
- Animal Detection Consultancy, the Netherlands
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Gil B, Wales D, Tan H, Yeatman E. Detection of medically relevant volatile organic compounds with graphene field-effect transistors and separated by low-frequency spectral and time signatures. NANOSCALE 2023; 16:61-71. [PMID: 38086675 DOI: 10.1039/d3nr04961b] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [MESH Headings] [Track Full Text] [Subscribe] [Scholar Register] [Indexed: 12/22/2023]
Abstract
Exhaled human breath contains a mixture of gases including nitrogen, oxygen, carbon dioxide, water vapour and low molecular weight volatile organic compounds (VOCs). Different VOCs detected in human breath condensate have been recently related to several metabolic processes occurring inside body tissues in the pathological state, as candidate biomarkers for monitoring conditions such as lung injury, airway inflammation, immunity dysfunction, infection, and cancer. Current techniques for detecting these compounds include several types of mass spectroscopy, which are highly costly, time-consuming and dependent on trained personnel for sample analysis. The need for fast and label-free biosensors is paving the way towards the design of novel and portable electronic devices for point-of-care diagnosis with VOCs such as E-noses, and based on the measurement of signal signatures derived from their chemical composition. In this paper, we propose a device for VOC detection that was tested inside a controlled gas flow setup, resorting to graphene field-effect transistors (GFETs). Electrical measurements from graphene directly exposed to nitrogen plus VOC vapours involved cyclic measurements for the variation of graphene's resistance and low-frequency spectral noise in order to obtain distinctive signatures of the tested compounds in the time and frequency domains related, respectively, to Gutmann's theory for donor-acceptor chemical species and spectral sub-band analysis.
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Affiliation(s)
- Bruno Gil
- Department of Electrical and Electronic Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, UK.
| | - Dominic Wales
- Department of Electrical and Electronic Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, UK.
| | - Haijie Tan
- Department of Electrical and Electronic Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, UK.
| | - Eric Yeatman
- Department of Electrical and Electronic Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, UK.
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Makhubela PCK, Rohwer ER, Naudé Y. Detection of tuberculosis-associated compounds from human skin by GCxGC-TOFMS. J Chromatogr B Analyt Technol Biomed Life Sci 2023; 1231:123937. [PMID: 37995549 DOI: 10.1016/j.jchromb.2023.123937] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 07/07/2023] [Revised: 09/28/2023] [Accepted: 10/10/2023] [Indexed: 11/25/2023]
Abstract
Tuberculosis (TB) remains a global health concern. This study aimed to investigate the potential of human skin volatile organic compounds (VOCs) as prospective biomarkers for TB diagnosis. It employed a non-invasive approach using a wearable silicone rubber band for VOC sampling, comprehensive gas chromatography - time of flight mass spectrometry (GCxGC-TOFMS), and chemometric techniques. Both targeted and untargeted biochemical screening was utilized to explore biochemical differences between healthy individuals and those with TB infection. Results confirmed a correlation between compounds found in this study, and those reported for TB from other biofluids. In a comparison to known TB-associated compounds from other biofluids our analysis established the presence of 27 of these compounds emanating from human skin. Additionally, 16 previously unreported compounds were found as potential biomarkers. The diagnostic ability of the VOCs selected by statistical methods was investigated using predictive modelling techniques. Artificial neural network multi-layered perceptron (ANN) yielded two compounds, 1H-indene, 2,3 dihydro-1,1,3-trimethyl-3-phenyl; and heptane-3-ethyl-2-methyl, as the most discriminatory, and could differentiate between TB-positive (n = 15) and TB-negative (n = 23) individuals with an area under the receiver operating characteristic curve (AUROC) of 92 %, a sensitivity of 100 % and a specificity of 94 % for six targeted features. For untargeted analysis, ANN assigned 3-methylhexane as the most discriminatory between TB-positive and TB- negative individuals. An AUROC of 98.5 %, a sensitivity of 83 %, and a specificity of 88 % were obtained for 16 untargeted features as chosen by high performance variable selection. The obtained values compare highly favourable to alternative diagnostic methods such as breath analysis and GeneXpert. Consequently, human skin VOCs hold considerable potential as a TB diagnostic screening test.
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Affiliation(s)
- Portia C K Makhubela
- Department of Chemistry, University of Pretoria, Private Bag X20, Hatfield, 0028 Pretoria, South Africa
| | - Egmont R Rohwer
- Department of Chemistry, University of Pretoria, Private Bag X20, Hatfield, 0028 Pretoria, South Africa
| | - Yvette Naudé
- Department of Chemistry, University of Pretoria, Private Bag X20, Hatfield, 0028 Pretoria, South Africa.
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Di Cicco F, Evans RL, James AG, Weddell I, Chopra A, Smeets MAM. Intrinsic and extrinsic factors affecting axillary odor variation. A comprehensive review. Physiol Behav 2023; 270:114307. [PMID: 37516230 DOI: 10.1016/j.physbeh.2023.114307] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 04/26/2023] [Revised: 07/14/2023] [Accepted: 07/27/2023] [Indexed: 07/31/2023]
Abstract
Humans produce odorous secretions from multiple body sites according to the microbiomic profile of each area and the types of secretory glands present. Because the axilla is an active, odor-producing region that mediates social communication via the sense of smell, this article focuses on the biological mechanisms underlying the creation of axillary odor, as well as the intrinsic and extrinsic factors likely to impact the odor and determine individual differences. The list of intrinsic factors discussed includes sex, age, ethnicity, emotions, and personality, and extrinsic factors include dietary choices, diseases, climate, and hygienic habits. In addition, we also draw attention to gaps in our understanding of each factor, including, for example, topical areas such as the effect of climate on body odor variation. Fundamental challenges and emerging research opportunities are further outlined in the discussion. Finally, we suggest guidelines and best practices based on the factors reviewed herein for preparatory protocols of sweat collection, data analysis, and interpretation.
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Affiliation(s)
- Francesca Di Cicco
- Faculty of Social and Behavioural Sciences, Utrecht University, Heidelberglaan 1, Utrecht, CS 3584, the Netherlands.
| | - Richard L Evans
- Unilever Research & Development, Port Sunlight Laboratory, Bebington, UK
| | - A Gordon James
- Unilever Research & Development, Colworth House, Sharnbrook, UK
| | - Iain Weddell
- Unilever Research & Development, Port Sunlight Laboratory, Bebington, UK
| | - Anita Chopra
- Unilever Research & Development, Port Sunlight Laboratory, Bebington, UK
| | - Monique A M Smeets
- Faculty of Social and Behavioural Sciences, Utrecht University, Heidelberglaan 1, Utrecht, CS 3584, the Netherlands; Unilever Research & Development, Rotterdam, the Netherlands
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Li HY, Chu YH. Expeditious Discovery of Small-Molecule Thermoresponsive Ionic Liquid Materials: A Review. Molecules 2023; 28:6817. [PMID: 37836660 PMCID: PMC10574798 DOI: 10.3390/molecules28196817] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [Grants] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 09/01/2023] [Revised: 09/14/2023] [Accepted: 09/25/2023] [Indexed: 10/15/2023] Open
Abstract
Ionic liquids (ILs) are a class of low-melting molten salts (<100 °C) constituted entirely of ions, and their research has gained tremendous attention in line with their remarkably growing applications (>124,000 publications dated 30 August 2023 from the Web of ScienceTM). In this review, we first briefly discussed the recent developments and unique characteristics of ILs and zwitterionic liquids (ZILs). Compared to molecular solvents and other conventional organic compounds, (zwitter) ionic liquids carry negligible volatility and are potentially recyclable and reusable. For structures, both ILs and ZILs can be systematically tailor-designed and engineered and are synthetically fine-tunable. As such, ionic liquids, including chiral, supported, task-specific ILs, have been widely used as powerful ionic solvents as well as valuable additives and catalysts for many chemical reactions. Moreover, ILs have demonstrated their value for use as polymerase chain reaction (PCR) enhancers for DNA amplification, chemoselective artificial olfaction for targeted VOC analysis, and recognition-based affinity extraction. As the major focus of this review, we extensively discussed that small-molecule thermoresponsive ILs (TILs) and ZILs (zwitterionic TILs) are new types of smart materials and can be expeditiously discovered through the structure and phase separation (SPS) relationship study by the combinatorial approach. Using this SPS platform developed in our laboratory, we first depicted the rapid discovery of N,N-dialkylcycloammonium and 1,3,4-trialkyl-1,2,3-triazolium TILs that concomitantly exhibited LCST (lower critical solution temperature) phase transition in water and displayed biochemically attractive Tc values. Both smart IL materials were suited for applications to proteins and other biomolecules. Zwitterionic TILs are ZILs whose cations and anions are tethered together covalently and are thermoresponsive to temperature changes. These zwitterionic TIL materials can serve as excellent extraction solvents, through temperature change, for biomolecules such as proteins since they differ from the common TIL problems often associated with unwanted ion exchanges during extractions. These unique structural characteristics of zwitterionic TIL materials greatly reduce and may avoid the denaturation of proteins under physiological conditions. Lastly, we argued that both rational structural design and combinatorial library synthesis of small-molecule TIL materials should take into consideration the important issues of their cytotoxicity and biosafety to the ecosystem, potentially causing harm to the environment and directly endangering human health. Finally, we would concur that before precise prediction and quantitative simulation of TIL structures can be realized, combinatorial chemistry may be the most convenient and effective technology platform to discover TIL expeditiously. Through our rational TIL design and combinatorial library synthesis and screening, we have demonstrated its power to discover novel chemical structures of both TILs and zwitterionic TILs. Undoubtedly, we will continue developing new small-molecule TIL structures and studying their applications related to other thermoresponsive materials.
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Affiliation(s)
| | - Yen-Ho Chu
- Department of Chemistry and Biochemistry, National Chung Cheng University, Chiayi 62102, Taiwan;
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Tantiwanichapan K, Jolivot R, Jomphoak A, Srisuai N, Chananonnawathorn C, Lertvanithpol T, Horprathum M, Boonruang S. Demonstration of cross reaction in hybrid graphene oxide/tantalum dioxide guided mode resonance sensor for selective volatile organic compound. Sci Rep 2023; 13:10799. [PMID: 37402874 PMCID: PMC10319844 DOI: 10.1038/s41598-023-37795-6] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [Grants] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 04/03/2023] [Accepted: 06/28/2023] [Indexed: 07/06/2023] Open
Abstract
This paper experimentally demonstrates a crossed reaction of pure and hybrid graphene oxide (GO)/tantalum dioxide (TaO2) as a volatile organic compound (VOC) absorber in a guided mode resonance (GMR) sensing platform. The proposed GMR platform has a porous TaO2 film as the main guiding layer, allowing for more molecular adsorption and enhanced sensitivity. GO is applied on top as an additional VOC absorber to increase the selectivity. The hybrid sensing mechanism is introduced by varying the concentration of the GO aqueous solution. The experimental results show that the pure TaO2-GMR has a high tendency to adsorb most of the tested VOC molecules, with the resonance wavelength shifting accordingly to the physical properties of the VOCs (molecular weight, vapor pressure, etc). The largest signal appears in the large molecule such as toluene, and its sensitivity is gradually reduced in the hybrid sensors. At the optimum GO concentration of 3 mg/mL, the hybrid GO/TaO2 -GMR is more sensitive to methanol, while the pure GO sensor coated with GO at 5 mg/mL is highly selective to ammonia. The sensing mechanisms are verified using the distribution function theory (DFT) to simulate the molecular absorption, along with the measured functional groups measured on the sensor surface by the Fourier transform infrared spectroscopy (FTIR). The crossed reaction of these sensors is further analyzed by means of machine learning, specifically the principal component analysis (PCA) method and decision tree algorithm. The results show that this sensor is a promising candidate for quantitative and qualitative VOCs detection in sensor array platform.
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Affiliation(s)
- Khwanchai Tantiwanichapan
- Spectroscopic and Sensing Devices Research Group (SSDRG), Opto-Electrochemical Sensing Research Team (OEC), National Electronics and Computer Technology Center (NECTEC), Pathum Thani, 12120, Thailand
| | - Romuald Jolivot
- School of Engineering, BU-CROCCS, Bangkok University, Pathum Thani, 12120, Thailand.
| | - Apichai Jomphoak
- Spectroscopic and Sensing Devices Research Group (SSDRG), Opto-Electrochemical Sensing Research Team (OEC), National Electronics and Computer Technology Center (NECTEC), Pathum Thani, 12120, Thailand
| | - Nantarat Srisuai
- Spectroscopic and Sensing Devices Research Group (SSDRG), Opto-Electrochemical Sensing Research Team (OEC), National Electronics and Computer Technology Center (NECTEC), Pathum Thani, 12120, Thailand
| | - Chanunthorn Chananonnawathorn
- Spectroscopic and Sensing Devices Research Group (SSDRG), Opto-Electrochemical Sensing Research Team (OEC), National Electronics and Computer Technology Center (NECTEC), Pathum Thani, 12120, Thailand
| | - Tossaporn Lertvanithpol
- Spectroscopic and Sensing Devices Research Group (SSDRG), Opto-Electrochemical Sensing Research Team (OEC), National Electronics and Computer Technology Center (NECTEC), Pathum Thani, 12120, Thailand
| | - Mati Horprathum
- Spectroscopic and Sensing Devices Research Group (SSDRG), Opto-Electrochemical Sensing Research Team (OEC), National Electronics and Computer Technology Center (NECTEC), Pathum Thani, 12120, Thailand
| | - Sakoolkan Boonruang
- Spectroscopic and Sensing Devices Research Group (SSDRG), Opto-Electrochemical Sensing Research Team (OEC), National Electronics and Computer Technology Center (NECTEC), Pathum Thani, 12120, Thailand.
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12
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Grizzi F, Bax C, Hegazi MAAA, Lotesoriere BJ, Zanoni M, Vota P, Hurle RF, Buffi NM, Lazzeri M, Tidu L, Capelli L, Taverna G. Early Detection of Prostate Cancer: The Role of Scent. CHEMOSENSORS 2023; 11:356. [DOI: 10.3390/chemosensors11070356] [Citation(s) in RCA: 5] [Impact Index Per Article: 2.5] [Reference Citation Analysis] [Abstract] [Track Full Text] [Subscribe] [Scholar Register] [Indexed: 09/28/2023]
Abstract
Prostate cancer (PCa) represents the cause of the second highest number of cancer-related deaths worldwide, and its clinical presentation can range from slow-growing to rapidly spreading metastatic disease. As the characteristics of most cases of PCa remains incompletely understood, it is crucial to identify new biomarkers that can aid in early detection. Despite the prostate-specific antigen serum (PSA) levels, prostate biopsy, and imaging representing the actual gold-standard for diagnosing PCa, analyzing volatile organic compounds (VOCs) has emerged as a promising new frontier. We and other authors have reported that highly trained dogs can recognize specific VOCs associated with PCa with high accuracy. However, using dogs in clinical practice has several limitations. To exploit the potential of VOCs, an electronic nose (eNose) that mimics the dog olfactory system and can potentially be used in clinical practice was designed. To explore the eNose as an alternative to dogs in diagnosing PCa, we conducted a systematic literature review and meta-analysis of available studies. PRISMA guidelines were used for the identification, screening, eligibility, and selection process. We included six studies that employed trained dogs and found that the pooled diagnostic sensitivity was 0.87 (95% CI 0.86–0.89; I2, 98.6%), the diagnostic specificity was 0.83 (95% CI 0.80–0.85; I2, 98.1%), and the area under the summary receiver operating characteristic curve (sROC) was 0.64 (standard error, 0.25). We also analyzed five studies that used an eNose to diagnose PCa and found that the pooled diagnostic sensitivity was 0.84 (95% CI, 0.80–0.88; I2, 57.1%), the diagnostic specificity was 0.88 (95% CI, 0.84–0.91; I2, 66%), and the area under the sROC was 0.93 (standard error, 0.03). These pooled results suggest that while highly trained dogs have the potentiality to diagnose PCa, the ability is primarily related to olfactory physiology and training methodology. The adoption of advanced analytical techniques, such as eNose, poses a significant challenge in the field of clinical practice due to their growing effectiveness. Nevertheless, the presence of limitations and the requirement for meticulous study design continue to present challenges when employing eNoses for the diagnosis of PCa.
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Affiliation(s)
- Fabio Grizzi
- Department of Immunology and Inflammation, IRCCS Humanitas Research Hospital, Rozzano, 20089 Milan, Italy
- Department of Biomedical Sciences, Humanitas University, Pieve Emanuele, 20072 Milan, Italy
| | - Carmen Bax
- Politecnico di Milano, Department of Chemistry, Materials and Chemical Engineering “Giulio Natta”, 20133 Milan, Italy
| | - Mohamed A. A. A. Hegazi
- Department of Immunology and Inflammation, IRCCS Humanitas Research Hospital, Rozzano, 20089 Milan, Italy
| | - Beatrice Julia Lotesoriere
- Politecnico di Milano, Department of Chemistry, Materials and Chemical Engineering “Giulio Natta”, 20133 Milan, Italy
| | - Matteo Zanoni
- Department of Urology, Humanitas Mater Domini, 21100 Castellanza, Italy
| | - Paolo Vota
- Department of Urology, Humanitas Mater Domini, 21100 Castellanza, Italy
| | - Rodolfo Fausto Hurle
- Department of Urology, IRCCS Humanitas Research Hospital, Rozzano, 20089 Milan, Italy
| | - Nicolò Maria Buffi
- Department of Biomedical Sciences, Humanitas University, Pieve Emanuele, 20072 Milan, Italy
- Department of Urology, IRCCS Humanitas Research Hospital, Rozzano, 20089 Milan, Italy
| | - Massimo Lazzeri
- Department of Urology, IRCCS Humanitas Research Hospital, Rozzano, 20089 Milan, Italy
| | - Lorenzo Tidu
- Italian Ministry of Defenses, “Vittorio Veneto” Division, 50136 Firenze, Italy
| | - Laura Capelli
- Politecnico di Milano, Department of Chemistry, Materials and Chemical Engineering “Giulio Natta”, 20133 Milan, Italy
| | - Gianluigi Taverna
- Department of Biomedical Sciences, Humanitas University, Pieve Emanuele, 20072 Milan, Italy
- Department of Urology, Humanitas Mater Domini, 21100 Castellanza, Italy
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13
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Li J, Hannon A, Yu G, Idziak LA, Sahasrabhojanee A, Govindarajan P, Maldonado YA, Ngo K, Abdou JP, Mai N, Ricco AJ. Electronic Nose Development and Preliminary Human Breath Testing for Rapid, Non-Invasive COVID-19 Detection. ACS Sens 2023; 8:2309-2318. [PMID: 37224474 DOI: 10.1021/acssensors.3c00367] [Citation(s) in RCA: 11] [Impact Index Per Article: 5.5] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 05/26/2023]
Abstract
We adapted an existing, spaceflight-proven, robust "electronic nose" (E-Nose) that uses an array of electrical resistivity-based nanosensors mimicking aspects of mammalian olfaction to conduct on-site, rapid screening for COVID-19 infection by measuring the pattern of sensor responses to volatile organic compounds (VOCs) in exhaled human breath. We built and tested multiple copies of a hand-held prototype E-Nose sensor system, composed of 64 chemically sensitive nanomaterial sensing elements tailored to COVID-19 VOC detection; data acquisition electronics; a smart tablet with software (App) for sensor control, data acquisition and display; and a sampling fixture to capture exhaled breath samples and deliver them to the sensor array inside the E-Nose. The sensing elements detect the combination of VOCs typical in breath at parts-per-billion (ppb) levels, with repeatability of 0.02% and reproducibility of 1.2%; the measurement electronics in the E-Nose provide measurement accuracy and signal-to-noise ratios comparable to benchtop instrumentation. Preliminary clinical testing at Stanford Medicine with 63 participants, their COVID-19-positive or COVID-19-negative status determined by concomitant RT-PCR, discriminated between these two categories of human breath with a 79% correct identification rate using "leave-one-out" training-and-analysis methods. Analyzing the E-Nose response in conjunction with body temperature and other non-invasive symptom screening using advanced machine learning methods, with a much larger database of responses from a wider swath of the population, is expected to provide more accurate on-the-spot answers. Additional clinical testing, design refinement, and a mass manufacturing approach are the main steps toward deploying this technology to rapidly screen for active infection in clinics and hospitals, public and commercial venues, or at home.
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Affiliation(s)
- Jing Li
- NASA Ames Research Center, Moffett Field, California 94035, United States
| | - Ami Hannon
- NASA Ames Research Center, Moffett Field, California 94035, United States
| | - George Yu
- Variable, Inc., Chattanooga, Tennessee 37406, United States
| | - Luke A Idziak
- NASA Ames Research Center, Moffett Field, California 94035, United States
| | | | | | - Yvonne A Maldonado
- School of Medicine, Stanford University, Stanford, California 94305, United States
| | - Khoa Ngo
- NASA Ames Research Center, Moffett Field, California 94035, United States
| | - John P Abdou
- NASA Ames Research Center, Moffett Field, California 94035, United States
| | - Nghia Mai
- NASA Ames Research Center, Moffett Field, California 94035, United States
| | - Antonio J Ricco
- NASA Ames Research Center, Moffett Field, California 94035, United States
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14
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Thamatam N, Ahn J, Chowdhury M, Sharma A, Gupta P, Marr LC, Nazhandali L, Agah M. A MEMS-enabled portable gas chromatography injection system for trace analysis. Anal Chim Acta 2023; 1261:341209. [PMID: 37147055 DOI: 10.1016/j.aca.2023.341209] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 12/21/2022] [Revised: 03/18/2023] [Accepted: 04/10/2023] [Indexed: 05/07/2023]
Abstract
Growing concerns about environmental conditions, public health, and disease diagnostics have led to the rapid development of portable sampling techniques to characterize trace-level volatile organic compounds (VOCs) from various sources. A MEMS-based micropreconcentrator (μPC) is one such approach that drastically reduces the size, weight, and power constraints offering greater sampling flexibility in many applications. However, the adoption of μPCs on a commercial scale is hindered by a lack of thermal desorption units (TDUs) that easily integrate μPCs with gas chromatography (GC) systems equipped with a flame ionization detector (FID) or a mass spectrometer (MS). Here, we report a highly versatile μPC-based, single-stage autosampler-injection unit for traditional, portable, and micro-GCs. The system uses μPCs packaged in 3D-printed swappable cartridges and is based on a highly modular interfacing architecture that allows easy-to-remove, gas-tight fluidic, and detachable electrical connections (FEMI). This study describes the FEMI architecture and demonstrates the FEMI-Autosampler (FEMI-AS) prototype (9.5 cm × 10 cm x 20 cm, ≈500 gms). The system was integrated with GC-FID, and the performance was investigated using synthetic gas samples and ambient air. The results were contrasted with the sorbent tube sampling technique using TD-GC-MS. FEMI-AS could generate sharp injection plugs (≈240 ms) and detect analytes with concentrations <15 ppb within 20 s and <100 ppt within 20 min of sampling time. With more than 30 detected trace-level compounds from ambient air, the demonstrated FEMI-AS, and the FEMI architecture significantly accelerate the adoption of μPCs on a broader scale.
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Affiliation(s)
- Nipun Thamatam
- VT MEMS Lab, The Bradley Department of Electrical and Computer Engineering, Virginia Polytechnic Institute and State University, Blacksburg, VA, 24061, United States
| | - Jeonghyeon Ahn
- VT MEMS Lab, The Bradley Department of Electrical and Computer Engineering, Virginia Polytechnic Institute and State University, Blacksburg, VA, 24061, United States; Department of Civil and Environmental Engineering, Virginia Polytechnic Institute and State University, Blacksburg, VA, 24061, United States
| | - Mustahsin Chowdhury
- VT MEMS Lab, The Bradley Department of Electrical and Computer Engineering, Virginia Polytechnic Institute and State University, Blacksburg, VA, 24061, United States
| | - Arjun Sharma
- CESCA, The Bradley Department of Electrical and Computer Engineering, Virginia Polytechnic Institute and State University, Blacksburg, VA, 24061, United States
| | - Poonam Gupta
- CESCA, The Bradley Department of Electrical and Computer Engineering, Virginia Polytechnic Institute and State University, Blacksburg, VA, 24061, United States
| | - Linsey C Marr
- Department of Civil and Environmental Engineering, Virginia Polytechnic Institute and State University, Blacksburg, VA, 24061, United States
| | - Leyla Nazhandali
- CESCA, The Bradley Department of Electrical and Computer Engineering, Virginia Polytechnic Institute and State University, Blacksburg, VA, 24061, United States
| | - Masoud Agah
- VT MEMS Lab, The Bradley Department of Electrical and Computer Engineering, Virginia Polytechnic Institute and State University, Blacksburg, VA, 24061, United States.
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15
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Brown AO, Green PJ, Frankham GJ, Stuart BH, Ueland M. Insights into the Effects of Violating Statistical Assumptions for Dimensionality Reduction for Chemical "-omics" Data with Multiple Explanatory Variables. ACS OMEGA 2023; 8:22042-22054. [PMID: 37360494 PMCID: PMC10286096 DOI: 10.1021/acsomega.3c01613] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Grants] [Track Full Text] [Download PDF] [Figures] [Subscribe] [Scholar Register] [Received: 03/29/2023] [Accepted: 05/25/2023] [Indexed: 06/28/2023]
Abstract
Biological volatilome analysis is inherently complex due to the considerable number of compounds (i.e., dimensions) and differences in peak areas by orders of magnitude, between and within compounds found within datasets. Traditional volatilome analysis relies on dimensionality reduction techniques which aid in the selection of compounds that are considered relevant to respective research questions prior to further analysis. Currently, compounds of interest are identified using either supervised or unsupervised statistical methods which assume the data residuals are normally distributed and exhibit linearity. However, biological data often violate the statistical assumptions of these models related to normality and the presence of multiple explanatory variables which are innate to biological samples. In an attempt to address deviations from normality, volatilome data can be log transformed. However, whether the effects of each assessed variable are additive or multiplicative should be considered prior to transformation, as this will impact the effect of each variable on the data. If assumptions of normality and variable effects are not investigated prior to dimensionality reduction, ineffective or erroneous compound dimensionality reduction can impact downstream analyses. It is the aim of this manuscript to assess the impact of single and multivariable statistical models with and without the log transformation to volatilome dimensionality reduction prior to any supervised or unsupervised classification analysis. As a proof of concept, Shingleback lizard (Tiliqua rugosa) volatilomes were collected across their species distribution and from captivity and were assessed. Shingleback volatilomes are suspected to be influenced by multiple explanatory variables related to habitat (Bioregion), sex, parasite presence, total body volume, and captive status. This work determined that the exclusion of relevant multiple explanatory variables from analysis overestimates the effect of Bioregion and the identification of significant compounds. The log transformation increased the number of compounds that were identified as significant, as did analyses that assumed that residuals were normally distributed. Among the methods considered in this work, the most conservative form of dimensionality reduction was achieved through analyzing untransformed data using Monte Carlo tests with multiple explanatory variables.
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Affiliation(s)
- Amber O. Brown
- Australian
Museum Research Institute, Australian Museum, Sydney 2001, NSW, Australia
- Centre
for Forensic Science, University of Technology
Sydney, Ultimo 2007, NSW, Australia
| | - Peter J. Green
- University
of Bristol, Bristol BS8 1UG, U.K.
- University
of Technology Sydney, Ultimo 2007, NSW, Australia
| | - Greta J. Frankham
- Australian
Museum Research Institute, Australian Museum, Sydney 2001, NSW, Australia
- Centre
for Forensic Science, University of Technology
Sydney, Ultimo 2007, NSW, Australia
| | - Barbara H. Stuart
- Australian
Museum Research Institute, Australian Museum, Sydney 2001, NSW, Australia
| | - Maiken Ueland
- Australian
Museum Research Institute, Australian Museum, Sydney 2001, NSW, Australia
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16
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Leemans M, Cuzuel V, Bauër P, Baba Aissa H, Cournelle G, Baelde A, Thuleau A, Cognon G, Pouget N, Guillot E, Fromantin I, Audureau E. Screening of Breast Cancer from Sweat Samples Analyzed by 2-Dimensional Gas Chromatography-Mass Spectrometry: A Preliminary Study. Cancers (Basel) 2023; 15:2939. [PMID: 37296901 PMCID: PMC10252040 DOI: 10.3390/cancers15112939] [Citation(s) in RCA: 4] [Impact Index Per Article: 2.0] [Reference Citation Analysis] [Abstract] [Key Words] [Grants] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 04/12/2023] [Revised: 05/11/2023] [Accepted: 05/12/2023] [Indexed: 06/12/2023] Open
Abstract
Breast cancer (BC) remains one of the most commonly diagnosed malignancies in women. There is increasing interest in the development of non-invasive screening methods. Volatile organic compounds (VOCs) emitted through the metabolism of cancer cells are possible novel cancer biomarkers. This study aims to identify the existence of BC-specific VOCs in the sweat of BC patients. Sweat samples from the breast and hand area were collected from 21 BC participants before and after breast tumor ablation. Thermal desorption coupled with two-dimensional gas chromatography and mass spectrometry was used to analyze VOCs. A total of 761 volatiles from a homemade human odor library were screened on each chromatogram. From those 761 VOCs, a minimum of 77 VOCs were detected within the BC samples. Principal component analysis showed that VOCs differ between the pre- and post-surgery status of the BC patients. The Tree-based Pipeline Optimization Tool identified logistic regression as the best-performing machine learning model. Logistic regression modeling identified VOCs that distinguish the pre-and post-surgery state in BC patients on both the breast and hand area with sensitivities close to 1. Further, Shapley additive explanations and the probe variable method identified the most important and pertinent VOCs distinguishing pre- and post-operative status which are mostly of distinct origin for the hand and breast region. Results suggest the possibility to identify endogenous metabolites linked to BC, hence proposing this innovative pipeline as a stepstone to discovering potential BC biomarkers. Large-scale studies in a multi-centered VOC analysis setting must be carried out to validate obtained findings.
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Affiliation(s)
- Michelle Leemans
- Clinical Epidemiology and Ageing Unit, Institut Mondor de Recherche Biomédicale, Paris-Est University, 94010 Créteil, France;
| | - Vincent Cuzuel
- Forensic Institute of the French Gendarmerie, Caserne Lange, 5 Boulevard de l’Hautil, Cedex, 95001 Cergy-Pontoise, France (G.C.)
| | - Pierre Bauër
- Wound Care and Research Unit 26, Curie Institute, Rue d’Ulm, 75005 Paris, France (H.B.A.); (A.T.); (I.F.)
| | - Hind Baba Aissa
- Wound Care and Research Unit 26, Curie Institute, Rue d’Ulm, 75005 Paris, France (H.B.A.); (A.T.); (I.F.)
| | - Gabriel Cournelle
- Baelde & Cournelle Analytics, 130 Allée Reysa Bernson, 59800 Lille, France; (G.C.); (A.B.)
| | - Aurélien Baelde
- Baelde & Cournelle Analytics, 130 Allée Reysa Bernson, 59800 Lille, France; (G.C.); (A.B.)
| | - Aurélie Thuleau
- Wound Care and Research Unit 26, Curie Institute, Rue d’Ulm, 75005 Paris, France (H.B.A.); (A.T.); (I.F.)
| | - Guillaume Cognon
- Forensic Institute of the French Gendarmerie, Caserne Lange, 5 Boulevard de l’Hautil, Cedex, 95001 Cergy-Pontoise, France (G.C.)
| | - Nicolas Pouget
- Department of Surgical Oncology, Curie Institute, 35 Rue Dailly, 92210 Saint-Cloud, France; (N.P.); (E.G.)
| | - Eugénie Guillot
- Department of Surgical Oncology, Curie Institute, 35 Rue Dailly, 92210 Saint-Cloud, France; (N.P.); (E.G.)
| | - Isabelle Fromantin
- Wound Care and Research Unit 26, Curie Institute, Rue d’Ulm, 75005 Paris, France (H.B.A.); (A.T.); (I.F.)
| | - Etienne Audureau
- Clinical Epidemiology and Ageing Unit, Institut Mondor de Recherche Biomédicale, Paris-Est University, 94010 Créteil, France;
- Public Health Department, Henri-Mondor Hospital, Assistance Publique des Hôpitaux de Paris, 94010 Créteil, France
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17
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Pirrone F, Piotti P, Galli M, Gasparri R, La Spina A, Spaggiari L, Albertini M. Sniffer dogs performance is stable over time in detecting COVID-19 positive samples and agrees with the rapid antigen test in the field. Sci Rep 2023; 13:3679. [PMID: 36872400 PMCID: PMC9985821 DOI: 10.1038/s41598-023-30897-1] [Citation(s) in RCA: 4] [Impact Index Per Article: 2.0] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 09/13/2022] [Accepted: 03/02/2023] [Indexed: 03/07/2023] Open
Abstract
Rapid antigen diagnostic (RAD) tests have been developed for the identification of the SARS-CoV-2 infection. However, they require nasopharyngeal or nasal swab, which is invasive, uncomfortable, and aerosolising. The use of saliva test was also proposed but has not yet been validated. Trained dogs may efficiently smell the presence of SARS-CoV-2 in biological samples of infected people, but further validation is needed both in laboratory and in field. The present study aimed to (1) assess and validate the stability over a specific time period of COVID-19 detection in humans' armpit sweat by trained dogs thanks to a double-blind laboratory test-retest design, and (2) assess this ability when sniffing people directly. Dogs were not trained to discriminate against other infections. For all dogs (n. 3), the laboratory test on 360 samples yielded 93% sensitivity and 99% specificity, an 88% agreement with the Rt-PCR, and a moderate to strong test-retest correlation. When sniffing people directly (n. 97), dogs' (n. 5) overall sensitivity (89%) and specificity (95%) were significantly above chance level. An almost perfect agreement with RAD results was found (kappa 0.83, SE 0.05, p = 0.001). Therefore, sniffer dogs met appropriate criteria (e.g., repeatability) and WHO's target product profiles for COVID-19 diagnostics and produced very promising results in laboratory and field settings, respectively. These findings support the idea that biodetection dogs could help reduce the spread of the virus in high-risk environments, including airports, schools, and public transport.
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Affiliation(s)
- Federica Pirrone
- Department of Veterinary Medicine and Animal Sciences, University of Milan (UNIMI), 26900, Lodi, Italy
| | - Patrizia Piotti
- Department of Veterinary Medicine and Animal Sciences, University of Milan (UNIMI), 26900, Lodi, Italy.
| | - Massimo Galli
- III Infectious Diseases Unit, L. Sacco Hospital, ASST Fatebenefratelli-Sacco, 20157, Milan, Italy
- Department of Biomedical and Clinical Sciences DIBIC, Luigi Sacco, University of Milan, Milan, Italy
| | - Roberto Gasparri
- Division of Thoracic Surgery, IEO, European Institute of Oncology IRCCS, Milan, Italy
| | - Aldo La Spina
- Medical Detection Dogs Italy, Novate milanese, Italy
| | - Lorenzo Spaggiari
- Division of Thoracic Surgery, IEO, European Institute of Oncology IRCCS, Milan, Italy
- Department of Oncology and Hemato-Oncology-DIPO, University of Milan, Milan, Italy
| | - Mariangela Albertini
- Department of Veterinary Medicine and Animal Sciences, University of Milan (UNIMI), 26900, Lodi, Italy
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18
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Alustiza M, Ripoll L, Canals A, Murcia O, Martínez-Roca A, García-Heredia A, Giner-Calabuig M, Jover R, Vidal L. A novel non-invasive colorectal cancer diagnostic method: Volatile organic compounds as biomarkers. Clin Chim Acta 2023; 542:117273. [PMID: 36863694 DOI: 10.1016/j.cca.2023.117273] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 02/03/2023] [Revised: 02/24/2023] [Accepted: 02/25/2023] [Indexed: 03/04/2023]
Abstract
INTRODUCTION Population-based fecal tests for colorectal cancer (CRC) screening have shown to reduce mortality thanks to the early detection of the disease. However, currently available fecal tests are limited in their sensitivity and specificity. Our aim is to look for volatile organic compounds in fecal samples as biomarkers for CRC detection. MATERIAL AND METHODS Eighty participants were included; 24 had adenocarcinoma, 24 had adenomatous polyps and 32 presented no neoplasms. Fecal samples were collected 48 h preceding the colonoscopy from all participants, except CRC patient samples that were collected after 3-4 weeks from the colonoscopy. Magnetic headspace adsorptive extraction (Mag-HSAE) followed by thermal desorption-gas chromatography-mass spectrometry (TD-GC-MS) was performed on stool samples to identify volatile organic compounds as biomarkers. RESULTS p-Cresol was significantly more abundant in the cancer samples (P < 0.001) with an area under the curve (AUC) of 0.85 (CI 95%; 0.737-0.953), having a sensitivity and specificity of 83% and 82%, respectively. In addition, 3(4H)-dibenzofuranone,4a,9b-dihydro-8,9b-dimethyl- (3(4H)-DBZ) was also more abundant in the cancer samples (P < 0.001) with an AUC of 0.77 (CI 95%; 0.635-0.905), sensitivity of 78% and specificity of 75%. When combined (p-cresol and 3(4H)-DBZ), the AUC was 0.86, sensitivity 87% and specificity 79%. p-Cresol also appeared to be promising as a biomarker for pre-malignant lesions with an AUC of 0.69 (CI 95%; 0.534-0.862), sensitivity 83% and specificity 63%, P = 0.045. CONCLUSIONS Volatile organic compounds emitted from feces and determined by a sensitive analytical methodology (Mag-HSAE-TD-GC-MS), employing a magnetic graphene oxide as extractant phase, could be used as a potential screening technology for CRC and pre-malignant lesions.
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Affiliation(s)
- Miren Alustiza
- Laboratorio de Investigación, Hospital General Universitario Dr. Balmis, Instituto de Investigación Sanitaria y Biomédica de Alicante (ISABIAL), Alicante, Spain
| | - Laura Ripoll
- Departamento de Química Analítica, Nutrición y Bromatología e Instituto Universitario de Materiales, Universidad de Alicante, P.O. Box 99, 03080 Alicante, Spain
| | - Antonio Canals
- Departamento de Química Analítica, Nutrición y Bromatología e Instituto Universitario de Materiales, Universidad de Alicante, P.O. Box 99, 03080 Alicante, Spain
| | - Oscar Murcia
- Laboratorio de Investigación, Hospital General Universitario Dr. Balmis, Instituto de Investigación Sanitaria y Biomédica de Alicante (ISABIAL), Alicante, Spain; Servicio de Medicina Digestiva, Hospital General Universitario Dr. Balmis, Instituto de Investigación Sanitaria y Biomédica de Alicante (ISABIAL), Alicante, Spain
| | - Alejandro Martínez-Roca
- Laboratorio de Investigación, Hospital General Universitario Dr. Balmis, Instituto de Investigación Sanitaria y Biomédica de Alicante (ISABIAL), Alicante, Spain
| | - Anabel García-Heredia
- Laboratorio de Investigación, Hospital General Universitario Dr. Balmis, Instituto de Investigación Sanitaria y Biomédica de Alicante (ISABIAL), Alicante, Spain
| | - Mar Giner-Calabuig
- Laboratorio de Investigación, Hospital General Universitario Dr. Balmis, Instituto de Investigación Sanitaria y Biomédica de Alicante (ISABIAL), Alicante, Spain
| | - Rodrigo Jover
- Laboratorio de Investigación, Hospital General Universitario Dr. Balmis, Instituto de Investigación Sanitaria y Biomédica de Alicante (ISABIAL), Alicante, Spain; Servicio de Medicina Digestiva, Hospital General Universitario Dr. Balmis, Instituto de Investigación Sanitaria y Biomédica de Alicante (ISABIAL), Alicante, Spain.
| | - Lorena Vidal
- Laboratorio de Investigación, Hospital General Universitario Dr. Balmis, Instituto de Investigación Sanitaria y Biomédica de Alicante (ISABIAL), Alicante, Spain; Departamento de Química Analítica, Nutrición y Bromatología e Instituto Universitario de Materiales, Universidad de Alicante, P.O. Box 99, 03080 Alicante, Spain.
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19
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Woollam M, Siegel AP, Munshi A, Liu S, Tholpady S, Gardner T, Li BY, Yokota H, Agarwal M. Canine-Inspired Chemometric Analysis of Volatile Organic Compounds in Urine Headspace to Distinguish Prostate Cancer in Mice and Men. Cancers (Basel) 2023; 15:cancers15041352. [PMID: 36831694 PMCID: PMC9954105 DOI: 10.3390/cancers15041352] [Citation(s) in RCA: 9] [Impact Index Per Article: 4.5] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 12/23/2022] [Revised: 02/06/2023] [Accepted: 02/13/2023] [Indexed: 02/23/2023] Open
Abstract
Canines can identify prostate cancer with high accuracy by smelling volatile organic compounds (VOCs) in urine. Previous studies have identified VOC biomarkers for prostate cancer utilizing solid phase microextraction (SPME) gas chromatography-mass spectrometry (GC-MS) but have not assessed the ability of VOCs to distinguish aggressive cancers. Additionally, previous investigations have utilized murine models to identify biomarkers but have not determined if the results are translatable to humans. To address these challenges, urine was collected from mice with prostate cancer and men undergoing prostate cancer biopsy and VOCs were analyzed by SPME GC-MS. Prior to analysis, SPME fibers/arrows were compared, and the fibers had enhanced sensitivity toward VOCs with a low molecular weight. The analysis of mouse urine demonstrated that VOCs could distinguish tumor-bearing mice with 100% accuracy. Linear discriminant analysis of six VOCs in human urine distinguished prostate cancer with sensitivity = 75% and specificity = 69%. Another panel of seven VOCs could classify aggressive cancer with sensitivity = 78% and specificity = 85%. These results show that VOCs have moderate accuracy in detecting prostate cancer and a superior ability to stratify aggressive tumors. Furthermore, the overlap in the structure of VOCs identified in humans and mice shows the merit of murine models for identifying biomarker candidates.
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Affiliation(s)
- Mark Woollam
- Integrated Nanosystems Development Institute, Indiana University-Purdue University Indianapolis, Indianapolis, IN 46202, USA
- Department of Chemistry and Chemical Biology, Indiana University-Purdue University Indianapolis, Indianapolis, IN 46202, USA
| | - Amanda P. Siegel
- Integrated Nanosystems Development Institute, Indiana University-Purdue University Indianapolis, Indianapolis, IN 46202, USA
- Department of Chemistry and Chemical Biology, Indiana University-Purdue University Indianapolis, Indianapolis, IN 46202, USA
| | - Adam Munshi
- Integrated Nanosystems Development Institute, Indiana University-Purdue University Indianapolis, Indianapolis, IN 46202, USA
| | - Shengzhi Liu
- Department of Pharmacology, School of Pharmacy, Harbin Medical University, Harbin 150081, China
| | - Sunil Tholpady
- Richard L Roudebush Veterans Affairs Medical Center, Indianapolis, IN 46202, USA
| | - Thomas Gardner
- Richard L Roudebush Veterans Affairs Medical Center, Indianapolis, IN 46202, USA
- Department of Urology, Indiana University School of Medicine, Indianapolis, IN 46202, USA
| | - Bai-Yan Li
- Department of Pharmacology, School of Pharmacy, Harbin Medical University, Harbin 150081, China
| | - Hiroki Yokota
- Department of Biomedical Engineering, Indiana University-Purdue University Indianapolis, Indianapolis, IN 46202, USA
| | - Mangilal Agarwal
- Integrated Nanosystems Development Institute, Indiana University-Purdue University Indianapolis, Indianapolis, IN 46202, USA
- Department of Chemistry and Chemical Biology, Indiana University-Purdue University Indianapolis, Indianapolis, IN 46202, USA
- Department of Mechanical and Energy Engineering, Indiana University-Purdue University Indianapolis, Indianapolis, IN 46202, USA
- Correspondence:
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20
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Investigating the Use of SARS-CoV-2 (COVID-19) Odor Expression as a Non-Invasive Diagnostic Tool-Pilot Study. Diagnostics (Basel) 2023; 13:diagnostics13040707. [PMID: 36832195 PMCID: PMC9955788 DOI: 10.3390/diagnostics13040707] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 12/09/2022] [Revised: 01/16/2023] [Accepted: 01/18/2023] [Indexed: 02/16/2023] Open
Abstract
Since the beginning of the COVID-19 pandemic, there has been enormous interest in the development of measures that would allow for the swift detection of the disease. The rapid screening and preliminary diagnosis of SARS-CoV-2 infection allow for the instant identification of possibly infected individuals and the subsequent mitigation of the disease spread. Herein, the detection of SARS-CoV-2-infected individuals was explored using noninvasive sampling and low-preparatory-work analytical instrumentation. Hand odor samples were obtained from SARS-CoV-2-positive and -negative individuals. The volatile organic compounds (VOCs) were extracted from the collected hand odor samples using solid phase microextraction (SPME) and analyzed using gas chromatography coupled with mass spectrometry (GC-MS). Sparse partial least squares discriminant analysis (sPLS-DA) was used to develop predictive models using the suspected variant sample subsets. The developed sPLS-DA models performed moderately (75.8% (±0.4) accuracy, 81.8% sensitivity, 69.7% specificity) at distinguishing between SARS-CoV-2-positive and negative -individuals based on the VOC signatures alone. Potential markers for distinguishing between infection statuses were preliminarily acquired using this multivariate data analysis. This work highlights the potential of using odor signatures as a diagnostic tool and sets the groundwork for the optimization of other rapid screening sensors such as e-noses or detection canines.
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21
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Ataabadi MS, Bahmanpour S, Yousefinejad S, Alaee S. Blood volatile organic compounds as potential biomarkers for poly cystic ovarian syndrome (PCOS): An animal study in the PCOS rat model. J Steroid Biochem Mol Biol 2023; 226:106215. [PMID: 36332782 DOI: 10.1016/j.jsbmb.2022.106215] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Journal Information] [Submit a Manuscript] [Subscribe] [Scholar Register] [Received: 05/09/2022] [Revised: 10/28/2022] [Accepted: 10/30/2022] [Indexed: 11/06/2022]
Abstract
Polycystic ovary syndrome (PCOS) as a common metabolic and endocrinological disorder can affect the metabolic profile in biological fluids. We studied the profile of blood volatile organic compounds (VOCs) in rats with PCOS and controls to identify potential specific biomarkers of blood VOCs in PCOS rats. For this purpose, 30 female adult Wistar rats were assigned to two groups: control and PCOS groups. PCOS model was induced using letrozole gavage (1 mg/kg) for 21 days. The rats in the control group received water of the same volume for 21 days. During treatment, a collection of vaginal smears was done every day for estrus cycle determination and weight was measured weekly. On the day after the last administration of letrozole, the rats were killed and their blood and ovaries were collected. Testosterone levels and histologic changes in ovaries were examined. Also, headspace-solid phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) analyzed the VOCs in the blood of PCOS and control rats. Multivariate and univariate statistical analyses were used to find the potential biomarkers for a rat model of PCOS. Weight gain, ovarian and vaginal pathological alteration, as well as hyperandrogenemia, confirmed the successful induction of the PCOS in rats. The results of blood VOCs analysis showed that nine VOCs were significantly elevated and one VOC decreased in the PCOS group than the control group (P < 0/05). The partial least-squares discriminant analysis (PLS-DA) and principal component analysis (PCA) showed good separation of VOCs between the PCOS rats and the control group. The 4-ethylphenol and capric (decanoic) acid were selected as the potential biomarkers for PCOS diagnosis in the blood of the PCOS rats. The blood of PCOS rats had a specific profile of VOCs, which could be detected by GC-MS analysis. These findings can pave the way for further studies towards developing a new screening method for PCOS detection and studying their pathology, based on VOCs analysis.
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Affiliation(s)
- Mahmoud Sadeghi Ataabadi
- Department of Reproductive Biology, School of Advanced Medical Sciences and Technologies, Shiraz Univcersity of Medical Sciences, Shiraz, Iran
| | - Soghra Bahmanpour
- Department of Anatomy, School of Medicine, Shiraz University of Medical Sciences, Shiraz, Iran
| | - Saeed Yousefinejad
- Research Center for Health Sciences, Institute of Health, Department of Occupational Health Engineering, School of Health, Shiraz University of Medical Sciences, Shiraz, Iran.
| | - Sanaz Alaee
- Department of Reproductive Biology, School of Advanced Medical Sciences and Technologies, Shiraz Univcersity of Medical Sciences, Shiraz, Iran
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22
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Potential Role of Oxidative Stress in the Production of Volatile Organic Compounds in Obesity. Antioxidants (Basel) 2023; 12:antiox12010129. [PMID: 36670991 PMCID: PMC9854577 DOI: 10.3390/antiox12010129] [Citation(s) in RCA: 12] [Impact Index Per Article: 6.0] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 12/05/2022] [Revised: 12/30/2022] [Accepted: 01/03/2023] [Indexed: 01/06/2023] Open
Abstract
Obesity is associated with numerous health issues such as sleep disorders, asthma, hepatic dysfunction, cancer, renal dysfunction, diabetes, cardiovascular complications, and infertility. Previous research has shown that the distribution of excess body fat, rather than excess body weight, determines obesity-related risk factors. It is widely accepted that abdominal fat is a serious risk factor for illnesses associated with obesity and the accumulation of visceral fat promotes the release of pro-oxidants, pro-inflammatory, and reactive oxygen species (ROS). The metabolic process in the human body produces several volatile organic compounds (VOCs) via urine, saliva, breath, blood, skin secretions, milk, and feces. Several studies have shown that VOCs are released by the interaction of ROS with underlying cellular components leading to increased protein oxidation, lipid peroxidation, or DNA damage. These VOCs released via oxidative stress in obese individuals may serves as a biomarker for obesity-related metabolic alterations and disease. In this review, we focus on the relationship between oxidative stress and VOCs in obesity.
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23
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Gouzerh F, Ganem G, Pichevin A, Dormont L, Thomas F. Ability of animals to detect cancer odors. Biochim Biophys Acta Rev Cancer 2023; 1878:188850. [PMID: 36528192 DOI: 10.1016/j.bbcan.2022.188850] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 09/12/2022] [Revised: 12/12/2022] [Accepted: 12/12/2022] [Indexed: 12/23/2022]
Abstract
The olfactory capacity of animals has long been used by humans to help with various activities, e.g., hunting, detecting mines, locating people, and diagnosing diseases. Cancer is among the leading diseases causing death worldwide. Several recent studies have underscored the benefit of using scent to detect cancer, and this paper will review the studies using animals to detect tumor scents. A large variety of animals have been used for this purpose-dogs, rodents, insects, and nematodes-and have shown their capacity to detect cancer, with a success rate close to 90%. Here we discuss these studies, their methodologies, and the animal models used. Finally, we discuss the medical perspectives for cancer diagnosis using odors.
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Affiliation(s)
- Flora Gouzerh
- Centre de Recherches Écologiques et Évolutives sur le Cancer, Maladies Infectieuses et Vecteurs: Ecologie, Génétique, Evolution et Contrôle, UMR IRD 224- CNRS 5290- Université de Montpellier, 34394 Montpellier, France; Centre d'Ecologie Fonctionnelle et Evolutive, Université́ de Montpellier, CNRS, EPHE, IRD, Université Paul Valéry Montpellier 3, 34293 Montpellier, France.
| | - Guila Ganem
- Institut des Sciences de l'Evolution, ISEM, Université Montpellier, CNRS, IRD, 34095 Montpellier, France
| | - Anaïs Pichevin
- Centre d'Ecologie Fonctionnelle et Evolutive, Université́ de Montpellier, CNRS, EPHE, IRD, Université Paul Valéry Montpellier 3, 34293 Montpellier, France
| | - Laurent Dormont
- Centre d'Ecologie Fonctionnelle et Evolutive, Université́ de Montpellier, CNRS, EPHE, IRD, Université Paul Valéry Montpellier 3, 34293 Montpellier, France
| | - Frédéric Thomas
- Centre de Recherches Écologiques et Évolutives sur le Cancer, Maladies Infectieuses et Vecteurs: Ecologie, Génétique, Evolution et Contrôle, UMR IRD 224- CNRS 5290- Université de Montpellier, 34394 Montpellier, France
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24
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Volatilomics as an Emerging Strategy to Determine Potential Biomarkers of Female Infertility: A Pilot Study. Biomedicines 2022; 10:biomedicines10112852. [DOI: 10.3390/biomedicines10112852] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 10/11/2022] [Revised: 11/02/2022] [Accepted: 11/04/2022] [Indexed: 11/09/2022] Open
Abstract
Due to its high prevalence, infertility has become a prominent public health issue, posing a significant challenge to modern reproductive medicine. Some clinical conditions that lead to female infertility include polycystic ovary syndrome (PCOS), endometriosis, and premature ovarian failure (POF). Follicular fluid (FF) is the biological matrix that has the most contact with the oocyte and can, therefore, be used as a predictor of its quality. Volatilomics has emerged as a non-invasive, straightforward, affordable, and simple method for characterizing various diseases and determining the effectiveness of their current therapies. In order to find potential biomarkers of infertility, this study set out to determine the volatomic pattern of the follicular fluid from patients with PCOS, endometriosis, and POF. The chromatographic data integration was performed through solid-phase microextraction (SPME), followed by gas chromatography–mass spectrometry (GC-MS). The findings pointed to specific metabolite patterns as potential biomarkers for the studied diseases. These open the door for further research into the relevant metabolomic pathways to enhance infertility knowledge and diagnostic tools. An extended investigation may, however, produce a new mechanistic understanding of the pathophysiology of the diseases.
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25
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Fujita A, Ihara K, Kawai H, Obuchi S, Watanabe Y, Hirano H, Fujiwara Y, Takeda Y, Tanaka M, Kato K. A novel set of volatile urinary biomarkers for late-life major depressive and anxiety disorders upon the progression of frailty: a pilot study. DISCOVER MENTAL HEALTH 2022; 2:20. [PMID: 37861875 PMCID: PMC10501039 DOI: 10.1007/s44192-022-00023-0] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [Grants] [Track Full Text] [Subscribe] [Scholar Register] [Received: 05/29/2022] [Accepted: 09/22/2022] [Indexed: 10/21/2023]
Abstract
Mood and anxiety disorders are frequent in the elderly and increase the risk of frailty. This study aimed to identify novel biomarkers of major depressive disorder (MDD) and anxiety in the elderly. We examined 639 participants in the community-dwelling Otassha Study (518 individuals considered healthy control, 77 with depression, anxiety, etc.), mean age 75 years, 58.4% of female. After exclusion criteria, we analyzed VOCs from 18 individuals (9 healthy control, 9 of MDD/agoraphobia case). Urinary volatile and semi-volatile organic compounds (VOCs) were profiled using solid-phase microextraction and gas chromatography-mass spectrometry. Six urinary VOCs differed in the absolute area of the base peak between participants with MDD and/or agoraphobia and controls. High area under the receiver-operating characteristic curve (AUC) values were found for phenethyl isothiocyanate (AUC: 0.86, p = 0.009), hexanoic acid (AUC: 0.85, p = 0.012), texanol (AUC: 0.99, p = 0.0005), and texanol isomer (AUC: 0.89, p = 0.005). The combined indices of dimethyl sulfone, phenethyl isothiocyanate, and hexanoic acid, and texanol and texanol isomer showed AUCs of 0.91 (p = 0.003) and 0.99 (p = 0.0005) and correlated with the GRID-HAMD and the Kihon Checklist (CL score), respectively. These VOCs may be valuable biomarkers for evaluating MDD and/or agoraphobia in the elderly.
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Affiliation(s)
- Akiko Fujita
- Faculty of Life Sciences, Kyoto Sangyo University, Motoyama, Kamigamo, Kita-Ku, Kyoto, 603-8555, Japan
| | - Kazushige Ihara
- Department of Social Medicine, Graduate School of Medicine and School of Medicine, Hirosaki University, 5 Zaifu-Cho Hirosaki City, Aomori, 036-8562, Japan
| | - Hisashi Kawai
- Research Team for Human Care, Tokyo Metropolitan Institute of Gerontology, 35-2 Sakae-Cho, Itabashi-Ku, Tokyo, 173-0015, Japan
| | - Shuichi Obuchi
- Research Team for Human Care, Tokyo Metropolitan Institute of Gerontology, 35-2 Sakae-Cho, Itabashi-Ku, Tokyo, 173-0015, Japan
| | - Yutaka Watanabe
- Gerodontology, Department of Oral Health Science, Faculty of Dental Medicine, Hokkaido University, Kita13, Nishi7, Kita-Ku, Sapporo, Hokkaido, 060-8586, Japan
| | - Hirohiko Hirano
- Research Team for Promoting Independence and Mental Health, Tokyo Metropolitan Institute of Gerontology, 35-2 Sakae-Cho, Itabashi-Ku, Tokyo, 173-0015, Japan
| | - Yoshinori Fujiwara
- Research Team for Social Participation and Community Health, Tokyo Metropolitan Institute of Gerontology, 35-2 Sakae-Cho, Itabashi-Ku, Tokyo, 173-0015, Japan
| | - Yoichi Takeda
- Department of Biotechnology, College of Life Sciences, Ritsumeikan University, 1-1-1 Noji-Higashi, Kusatsu, Shiga, 525-8577, Japan
| | - Masashi Tanaka
- Department of Neurology, Juntendo University Graduate School of Medicine, 2-1-1 Hongo, Bunkyo-Ku, Tokyo, 113-8421, Japan
| | - Keiko Kato
- Faculty of Life Sciences, Kyoto Sangyo University, Motoyama, Kamigamo, Kita-Ku, Kyoto, 603-8555, Japan.
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26
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Ligor T, Adamczyk P, Kowalkowski T, Ratiu IA, Wenda-Piesik A, Buszewski B. Analysis of VOCs in Urine Samples Directed towards of Bladder Cancer Detection. Molecules 2022; 27:5023. [PMID: 35956972 PMCID: PMC9370153 DOI: 10.3390/molecules27155023] [Citation(s) in RCA: 1] [Impact Index Per Article: 0.3] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Grants] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 05/31/2022] [Revised: 07/30/2022] [Accepted: 08/01/2022] [Indexed: 12/25/2022] Open
Abstract
Bladder cancer is one of most common types of cancer diagnosed in the genitourinary tract. Typical tests are costly and characterized by low sensitivity, which contributes to a growing interest in volatile biomarkers. Head space solid phase microextraction (SPME) was applied for the extraction of volatile organic compounds from urine samples, and gas chromatography time of flight mass spectrometry (GC×GC TOF MS) was used for the separation and detection of urinary volatiles. A cohort of 40 adult patients with bladder cancer and 57 healthy persons was recruited. Different VOC profiles were obtained for urine samples taken from each group. Twelvecompounds were found only in the samples from theBC group.The proposed candidate biomarkers are butyrolactone; 2-methoxyphenol; 3-methoxy-5-methylphenol; 1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)-2-buten-1-one; nootkatone and 1-(2,6,6-trimethyl-1-cyclohexenyl)-2-buten-1-one.Since most of the studies published in the field are proving the potential of VOCs detected in urine samples for the screening and discrimination of patients with bladder cancer from healthy, but rarely presenting the identity of proposed biomarkers, our study represents a novel approach.
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Affiliation(s)
- Tomasz Ligor
- Department of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, 87-100 Toruń, Poland
- Interdisciplinary Centre of Modern Technologies, Nicolaus Copernicus University, 87-100 Toruń, Poland
| | - Przemysław Adamczyk
- Department of General and Oncologic Urology, Nicolaus Copernicus Hospital in Torun, 87-100 Toruń, Poland
| | - Tomasz Kowalkowski
- Department of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, 87-100 Toruń, Poland
- Interdisciplinary Centre of Modern Technologies, Nicolaus Copernicus University, 87-100 Toruń, Poland
| | - Ileana Andreea Ratiu
- “Raluca Ripan” Institute for Research in Chemistry, Babes-Bolyai University, 30 Fantanele, RO-400239 Cluj-Napoca, Romania
| | - Anna Wenda-Piesik
- Department of Agronomics, Faculty of Agriculture and Biotechnology, Bydgoszcz University of Science and Technology, 85-796 Bydgoszcz, Poland
| | - Bogusław Buszewski
- Department of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, 87-100 Toruń, Poland
- Interdisciplinary Centre of Modern Technologies, Nicolaus Copernicus University, 87-100 Toruń, Poland
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27
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Kontos E, Samimi A, Hakze-van der Honing RW, Priem J, Avarguès-Weber A, Haverkamp A, Dicke M, Gonzales JL, van der Poel WHM. Bees can be trained to identify SARS-CoV-2 infected samples. Biol Open 2022; 11:275246. [PMID: 35502829 PMCID: PMC9096705 DOI: 10.1242/bio.059111] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 10/22/2021] [Accepted: 01/20/2022] [Indexed: 11/24/2022] Open
Abstract
The COVID-19 pandemic has illustrated the need for the development of fast and reliable testing methods for novel, zoonotic, viral diseases in both humans and animals. Pathologies lead to detectable changes in the volatile organic compound (VOC) profile of animals, which can be monitored, thus allowing the development of a rapid VOC-based test. In the current study, we successfully trained honeybees (Apis mellifera) to identify SARS-CoV-2 infected minks (Neovison vison) thanks to Pavlovian conditioning protocols. The bees can be quickly conditioned to respond specifically to infected mink's odours and could therefore be part of a wider SARS-CoV-2 diagnostic system. We tested two different training protocols to evaluate their performance in terms of learning rate, accuracy and memory retention. We designed a non-invasive rapid test in which multiple bees are tested in parallel on the same samples. This provided reliable results regarding a subject's health status. Using the data from the training experiments, we simulated a diagnostic evaluation trial to predict the potential efficacy of our diagnostic test, which yielded a diagnostic sensitivity of 92% and specificity of 86%. We suggest that a honeybee-based diagnostics can offer a reliable and rapid test that provides a readily available, low-input addition to the currently available testing methods. A honeybee-based diagnostic test might be particularly relevant for remote and developing communities that lack the resources and infrastructure required for mainstream testing methods. Summary: Honeybees can be quickly trained to identify SARS-CoV2 infected samples. SARS-CoV2 positive sample detection by bees reached a diagnostic sensitivity of 92% and a specificity of 86%. Honeybee-based diagnostics can offer a reliable and rapid test that provides a readily available, low-input addition to the currently available testing methods.
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Affiliation(s)
- Evangelos Kontos
- InsectSense, Plus Ultra-II Building, Bronland, 10, 6708 WH, Wageningen, The Netherlands.,Laboratory of Entomology, P.O. Box 16, 6700 AA, Wageningen, The Netherlands
| | - Aria Samimi
- InsectSense, Plus Ultra-II Building, Bronland, 10, 6708 WH, Wageningen, The Netherlands
| | | | - Jan Priem
- Wageningen Bioveterinary Research, P.O. Box 65, 8200 AB, Lelystad, The Netherlands
| | - Aurore Avarguès-Weber
- Centre de Recherches sur la Cognition Animale (CRCA), Centre de Biologie Intégrative (CBI), Université de Toulouse; CNRS, UPS, 118 Route de Narbonne, 31062 Toulouse, France
| | | | - Marcel Dicke
- Laboratory of Entomology, P.O. Box 16, 6700 AA, Wageningen, The Netherlands
| | - Jose L Gonzales
- Wageningen Bioveterinary Research, P.O. Box 65, 8200 AB, Lelystad, The Netherlands
| | - Wim H M van der Poel
- Wageningen Bioveterinary Research, P.O. Box 65, 8200 AB, Lelystad, The Netherlands
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28
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Gouzerh F, Buatois B, Hervé MR, Mancini M, Maraver A, Dormont L, Thomas F, Ganem G. Odours of cancerous mouse congeners: detection and attractiveness. Biol Open 2022; 11:275010. [PMID: 35403195 PMCID: PMC9065363 DOI: 10.1242/bio.059208] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 12/23/2021] [Accepted: 03/31/2022] [Indexed: 11/30/2022] Open
Abstract
Chemical communication plays a major role in social interactions. Cancer, by inducing changes in body odours, may alter interactions between individuals. In the framework of research targeting non-invasive methods to detect early stages of cancer development, this study asked whether untrained mice could detect odour changes in cancerous congeners. If yes, were they able to detect cancer at an early developmental stage? Did it influence female preference? Did variations in volatile organic components of the odour source paralleled mice behavioural responses? We used transgenic mice strains developing or not lung cancer upon antibiotic ingestion. We sampled soiled bedding of cancerous mice (CC) and not cancerous mice (NC), at three experimental conditions: before (T0), early stage (T2) and late stage (T12) of cancer development. Habituation/generalisation and two-way preference tests were performed where soiled beddings of CC and NC mice were presented to wild-derived mice. The composition and relative concentration of volatile organic components (VOC) in the two stimuli types were analysed. Females did not show directional preference at any of the experimental conditions, suggesting that cancer did not influence their choice behaviour. Males did not discriminate between CC and NC stimuli at T0 but did so at T2 and T12, indicating that wild-derived mice could detect cancer at an early stage of development. Finally, although the VOC bouquet differed between CC and NC it did not seem to parallel the observed behavioural response suggesting that other types of odorant components might be involved in behavioural discrimination between CC and NC mice. Summary: Male mice could discriminate the smell of cancerous congeners even when the tumour was hardly detectable by other means; however, females did not discriminate against the smell of males carrying cancerous tumours. Odorant molecules other than volatile organic compounds analysed here might explain the observed behaviour.
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Affiliation(s)
- Flora Gouzerh
- CREEC/ MIVEGEC, UMR IRD 224-CNRS 5290-Université de Montpellier, Montpellier, France.,CEFE, Univ Montpellier, CNRS, EPHE, IRD, Univ Paul Valéry Montpellier 3, Montpellier, France
| | - Bruno Buatois
- CEFE, Univ Montpellier, CNRS, EPHE, IRD, Univ Paul Valéry Montpellier 3, Montpellier, France
| | - Maxime R Hervé
- IGEPP, INRAE, Institut Agro, Univ Rennes, 35000, Rennes, France
| | | | | | - Laurent Dormont
- CEFE, Univ Montpellier, CNRS, EPHE, IRD, Univ Paul Valéry Montpellier 3, Montpellier, France
| | - Frédéric Thomas
- CREEC/ MIVEGEC, UMR IRD 224-CNRS 5290-Université de Montpellier, Montpellier, France
| | - Guila Ganem
- Institut des Sciences de l'Evolution, ISEM, Univ Montpellier, CNRS, IRD, Montpellier, France
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29
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Volatile organic compounds as a potential screening tool for neoplasm of the digestive system: a meta-analysis. Sci Rep 2021; 11:23716. [PMID: 34887450 PMCID: PMC8660806 DOI: 10.1038/s41598-021-02906-8] [Citation(s) in RCA: 6] [Impact Index Per Article: 1.5] [Reference Citation Analysis] [Abstract] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 03/09/2021] [Accepted: 11/24/2021] [Indexed: 02/02/2023] Open
Abstract
This meta-analysis was aimed to estimate the diagnostic performance of volatile organic compounds (VOCs) as a potential novel tool to screen for the neoplasm of the digestive system. An integrated literature search was performed by two independent investigators to identify all relevant studies investigating VOCs in diagnosing neoplasm of the digestive system from inception to 7th December 2020. STATA and Revman software were used for data analysis. The methodological quality of each study was assessed using the Quality Assessment of Diagnostic Accuracy Studies tool. A bivariate mixed model was used and meta-regression and subgroup analysis were performed to identify possible sources of heterogeneity. A total of 36 studies comprised of 1712 cases of neoplasm and 3215 controls were included in our meta-analysis. Bivariate analysis showed a pooled sensitivity of 0.87 (95% confidence interval (CI) 0.83–0.90), specificity of 0.86 (95% CI 0.82–0.89), a positive likelihood ratio of 6.18 (95% CI 4.68–8.17), and a negative likelihood ratio of 0.15 (95% CI 0.12–0.20). The diagnostic odds ratio and the area under the summary ROC curve for diagnosing neoplasm of the digestive system were 40.61 (95% CI 24.77–66.57) and 0.93 (95% CI 0.90–0.95), respectively. Our analyses revealed that VOCs analysis could be considered as a potential novel tool to screen for malignant diseases of the digestive system.
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Development of a Method for the Measurement of Human Scent Samples Using Comprehensive Two-Dimensional Gas Chromatography with Mass Detection. SEPARATIONS 2021. [DOI: 10.3390/separations8120232] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 11/16/2022] Open
Abstract
Every human body is a source of a unique scent, which can be used for medical or forensic purposes. Human skin scent is a complex mixture of more or less volatile compounds with different chemical and physical properties, which often differ significantly in their concentrations. The most efficient technique for separating such complex samples is comprehensive two-dimensional gas chromatography (GC × GC). This work aimed to find the optimal arrangement of a two-dimensional chromatographic system and define a suitable chromatographic method for non-targeted analysis of human scent samples. Four different chromatographic columns (non-polar Rxi-5MS and TG-5HT, medium polar Rxi-17Sil MS and Rtx-200MS) and their different configurations were tested. The best system was the 30 m primary column Rtx-200MS (with the 2 m pre-column Rtx-200MS) and the 1 m secondary column TG-5HT in a reverse configuration. This system achieved the highest theoretical and conditional peak capacities, optimal resolution, and the lowest number of coelutions.
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Smith BJ, Silva-Costa LC, Martins-de-Souza D. Human disease biomarker panels through systems biology. Biophys Rev 2021; 13:1179-1190. [PMID: 35059036 PMCID: PMC8724340 DOI: 10.1007/s12551-021-00849-y] [Citation(s) in RCA: 21] [Impact Index Per Article: 5.3] [Reference Citation Analysis] [Abstract] [Key Words] [Grants] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 08/13/2021] [Accepted: 10/01/2021] [Indexed: 12/23/2022] Open
Abstract
As more uses for biomarkers are sought after for an increasing number of disease targets, single-target biomarkers are slowly giving way for biomarker panels. These panels incorporate various sources of biomolecular and clinical data to guarantee a higher robustness and power of separation for a clinical test. Multifactorial diseases such as psychiatric disorders show great potential for clinical use, assisting medical professionals during the analysis of risk and predisposition, disease diagnosis and prognosis, and treatment applicability and efficacy. More specific tests are also being developed to assist in ruling out, distinguishing between, and confirming suspicions of multifactorial diseases, as well as to predict which therapy option may be the best option for a given patient's biochemical profile. As more complex datasets are entering the field, involving multi-omic approaches, systems biology has stepped in to facilitate the discovery and validation steps during biomarker panel generation. Filtering biomolecules and clinical data, pre-validating and cross-validating potential biomarkers, generating final biomarker panels, and testing the robustness and applicability of those panels are all beginning to rely on machine learning and systems biology and research in this area will only benefit from advances in these approaches.
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Affiliation(s)
- Bradley J. Smith
- Laboratory of Neuroproteomics, Department of Biochemistry and Tissue Biology, Institute of Biology, University of Campinas (UNICAMP), Campinas, Brazil
| | - Licia C. Silva-Costa
- Laboratory of Neuroproteomics, Department of Biochemistry and Tissue Biology, Institute of Biology, University of Campinas (UNICAMP), Campinas, Brazil
| | - Daniel Martins-de-Souza
- Laboratory of Neuroproteomics, Department of Biochemistry and Tissue Biology, Institute of Biology, University of Campinas (UNICAMP), Campinas, Brazil
- Instituto Nacional de Biomarcadores Em Neuropsiquiatria (INBION), Conselho Nacional de Desenvolvimento Científico E Tecnológico, Sao Paulo, Brazil
- Experimental Medicine Research Cluster (EMRC), University of Campinas, Campinas, Brazil
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ten Hagen NA, Twele F, Meller S, Jendrny P, Schulz C, von Köckritz-Blickwede M, Osterhaus A, Ebbers H, Pink I, Welte T, Manns MP, Illig T, Fathi A, Addo MM, Nitsche A, Puyskens A, Michel J, Krause E, Ehmann R, von Brunn A, Ernst C, Zwirglmaier K, Wölfel R, Nau A, Philipp E, Engels M, Schalke E, Volk HA. Discrimination of SARS-CoV-2 Infections From Other Viral Respiratory Infections by Scent Detection Dogs. Front Med (Lausanne) 2021; 8:749588. [PMID: 34869443 PMCID: PMC8636992 DOI: 10.3389/fmed.2021.749588] [Citation(s) in RCA: 6] [Impact Index Per Article: 1.5] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 07/29/2021] [Accepted: 10/25/2021] [Indexed: 01/01/2023] Open
Abstract
Background: Testing of possibly infected individuals remains cornerstone of containing the spread of SARS-CoV-2. Detection dogs could contribute to mass screening. Previous research demonstrated canines' ability to detect SARS-CoV-2-infections but has not investigated if dogs can differentiate between COVID-19 and other virus infections. Methods: Twelve dogs were trained to detect SARS-CoV-2 positive samples. Three test scenarios were performed to evaluate their ability to discriminate SARS-CoV-2-infections from viral infections of a different aetiology. Naso- and oropharyngeal swab samples from individuals and samples from cell culture both infected with one of 15 viruses that may cause COVID-19-like symptoms were presented as distractors in a randomised, double-blind study. Dogs were either trained with SARS-CoV-2 positive saliva samples (test scenario I and II) or with supernatant from cell cultures (test scenario III). Results: When using swab samples from individuals infected with viruses other than SARS-CoV-2 as distractors (test scenario I), dogs detected swab samples from SARS-CoV-2-infected individuals with a mean diagnostic sensitivity of 73.8% (95% CI: 66.0-81.7%) and a specificity of 95.1% (95% CI: 92.6-97.7%). In test scenario II and III cell culture supernatant from cells infected with SARS-CoV-2, cells infected with other coronaviruses and non-infected cells were presented. Dogs achieved mean diagnostic sensitivities of 61.2% (95% CI: 50.7-71.6%, test scenario II) and 75.8% (95% CI: 53.0-98.5%, test scenario III), respectively. The diagnostic specificities were 90.9% (95% CI: 87.3-94.6%, test scenario II) and 90.2% (95% CI: 81.1-99.4%, test scenario III), respectively. Conclusion: In all three test scenarios the mean specificities were above 90% which indicates that dogs can distinguish SARS-CoV-2-infections from other viral infections. However, compared to earlier studies our scent dogs achieved lower diagnostic sensitivities. To deploy COVID-19 detection dogs as a reliable screening method it is therefore mandatory to include a variety of samples from different viral respiratory tract infections in dog training to ensure a successful discrimination process.
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Affiliation(s)
- Nele Alexandra ten Hagen
- Department of Small Animal Medicine and Surgery, University of Veterinary Medicine Hannover, Hannover, Germany
| | - Friederike Twele
- Department of Small Animal Medicine and Surgery, University of Veterinary Medicine Hannover, Hannover, Germany
| | - Sebastian Meller
- Department of Small Animal Medicine and Surgery, University of Veterinary Medicine Hannover, Hannover, Germany
| | - Paula Jendrny
- Department of Small Animal Medicine and Surgery, University of Veterinary Medicine Hannover, Hannover, Germany
| | - Claudia Schulz
- Research Center for Emerging Infections and Zoonoses, University of Veterinary Medicine Hannover, Hannover, Germany
| | - Maren von Köckritz-Blickwede
- Research Center for Emerging Infections and Zoonoses, University of Veterinary Medicine Hannover, Hannover, Germany
- Department of Biochemistry, University of Veterinary Medicine Hannover, Hannover, Germany
| | - Ab Osterhaus
- Research Center for Emerging Infections and Zoonoses, University of Veterinary Medicine Hannover, Hannover, Germany
| | - Hans Ebbers
- KynoScience Unternehmergesellschaft, Hörstel, Germany
| | - Isabell Pink
- Department of Respiratory Medicine, Hannover Medical School, Hannover, Germany
| | - Tobias Welte
- Department of Respiratory Medicine, Hannover Medical School, Hannover, Germany
| | | | - Thomas Illig
- Hannover Unified Biobank, Hannover Medical School, Hannover, Germany
| | - Anahita Fathi
- Department of Medicine, Division of Infectious Diseases, University Medical-Center Hamburg-Eppendorf, Hamburg, Germany
- Department for Clinical Immunology of Infectious Diseases, Bernhard Nocht Institute for Tropical Medicine, Hamburg, Germany
- German Center for Infection Research, Hamburg-Lübeck- Borstel-Riems, Hamburg, Germany
| | - Marylyn Martina Addo
- Department of Medicine, Division of Infectious Diseases, University Medical-Center Hamburg-Eppendorf, Hamburg, Germany
- Department for Clinical Immunology of Infectious Diseases, Bernhard Nocht Institute for Tropical Medicine, Hamburg, Germany
- German Center for Infection Research, Hamburg-Lübeck- Borstel-Riems, Hamburg, Germany
| | - Andreas Nitsche
- Center for Biological Threats and Special Pathogens (ZBS) 1, Highly Pathogenic Viruses, World Health Organisation Reference Laboratory for SARS-CoV-2 and World Health Organisation Collaborating Centre for Emerging Infections and Biological Threats, Robert Koch Institute, Berlin, Germany
| | - Andreas Puyskens
- Center for Biological Threats and Special Pathogens (ZBS) 1, Highly Pathogenic Viruses, World Health Organisation Reference Laboratory for SARS-CoV-2 and World Health Organisation Collaborating Centre for Emerging Infections and Biological Threats, Robert Koch Institute, Berlin, Germany
| | - Janine Michel
- Center for Biological Threats and Special Pathogens (ZBS) 1, Highly Pathogenic Viruses, World Health Organisation Reference Laboratory for SARS-CoV-2 and World Health Organisation Collaborating Centre for Emerging Infections and Biological Threats, Robert Koch Institute, Berlin, Germany
| | - Eva Krause
- Center for Biological Threats and Special Pathogens (ZBS) 1, Highly Pathogenic Viruses, World Health Organisation Reference Laboratory for SARS-CoV-2 and World Health Organisation Collaborating Centre for Emerging Infections and Biological Threats, Robert Koch Institute, Berlin, Germany
| | - Rosina Ehmann
- Bundeswehr Institute of Microbiology, Munich, Germany
| | - Albrecht von Brunn
- Max von Pettenkofer-Institute, Virology, Ludwig Maximilian University of Munich, Munich, Germany
- German Center for Infection Research, Munich, Germany
| | | | | | - Roman Wölfel
- Bundeswehr Institute of Microbiology, Munich, Germany
| | - Alexandra Nau
- Bundeswehr Medical Service Headquarters, Koblenz, Germany
| | - Eva Philipp
- Military Medical Center, Fürstenfeldbruck, Germany
| | - Michael Engels
- Bundeswehr School of Dog Handling, Gräfin-Maltzan-Kaserne, Ulmen, Germany
| | - Esther Schalke
- Bundeswehr School of Dog Handling, Gräfin-Maltzan-Kaserne, Ulmen, Germany
| | - Holger Andreas Volk
- Department of Small Animal Medicine and Surgery, University of Veterinary Medicine Hannover, Hannover, Germany
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Prediction of oral squamous cell carcinoma based on machine learning of breath samples: a prospective controlled study. BMC Oral Health 2021; 21:500. [PMID: 34615514 PMCID: PMC8496028 DOI: 10.1186/s12903-021-01862-z] [Citation(s) in RCA: 2] [Impact Index Per Article: 0.5] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 04/30/2021] [Accepted: 09/24/2021] [Indexed: 12/30/2022] Open
Abstract
Background The aim of this study was to evaluate the possibility of breath testing as a method of cancer detection in patients with oral squamous cell carcinoma (OSCC). Methods Breath analysis was performed in 35 OSCC patients prior to surgery. In 22 patients, a subsequent breath test was carried out after surgery. Fifty healthy subjects were evaluated in the control group. Breath sampling was standardized regarding location and patient preparation. All analyses were performed using gas chromatography coupled with ion mobility spectrometry and machine learning. Results Differences in imaging as well as in pre- and postoperative findings of OSCC patients and healthy participants were observed. Specific volatile organic compound signatures were found in OSCC patients. Samples from patients and healthy individuals could be correctly assigned using machine learning with an average accuracy of 86–90%. Conclusions Breath analysis to determine OSCC in patients is promising, and the identification of patterns and the implementation of machine learning require further assessment and optimization. Larger prospective studies are required to use the full potential of machine learning to identify disease signatures in breath volatiles. Supplementary Information The online version contains supplementary material available at 10.1186/s12903-021-01862-z.
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Ghislain M, Reyrolle M, Sotiropoulos JM, Pigot T, Le Bechec M. Chemical ionization of carboxylic acids and esters in negative mode selected ion flow tube – Mass spectrometry (SIFT-MS). Microchem J 2021. [DOI: 10.1016/j.microc.2021.106609] [Citation(s) in RCA: 2] [Impact Index Per Article: 0.5] [Reference Citation Analysis] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 12/15/2022]
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Powell NA, Ruffell A, Arnott G. The Untrained Response of Pet Dogs to Human Epileptic Seizures. Animals (Basel) 2021; 11:2267. [PMID: 34438725 PMCID: PMC8388511 DOI: 10.3390/ani11082267] [Citation(s) in RCA: 2] [Impact Index Per Article: 0.5] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 06/20/2021] [Revised: 07/27/2021] [Accepted: 07/29/2021] [Indexed: 01/03/2023] Open
Abstract
Epilepsy is a debilitating and potentially life-threatening neurological condition which affects approximately 65 million people worldwide. There is currently no reliable and simple early warning seizure-onset device available, which means many people with unstable epilepsy live in fear of injury or sudden death and the negative impact of social stigmatization. If anecdotal claims that untrained dogs anticipate seizures are found to be true, they could offer a simple and readily available early warning system. We hypothesized that, given the extraordinary olfactory ability of dogs, a volatile organic compound exhaled by the dog's epileptic owner may constitute an early warning trigger mechanism to which make dogs react by owner-directed affiliative responses in the pre-seizure period. Using 19 pet dogs with no experience of epilepsy, we exposed them to odours that were deemed to be characteristic of three seizure phases, by using sweat harvested from people with epilepsy. The odours were delivered to a point immediately under a non-epileptic and seated pet dog owner's thighs. By altering the alternating odours emerging from sweat samples, captured before seizure, during a seizure and after a seizure, and two nonseizure controls, we were able to record the response of the 19 pet dogs. Our findings suggest that seizures are associated with an odour and that dogs detect this odour and demonstrate a marked increase in affiliative behaviour directed at their owners. A characteristic response of all 19 dogs to seizure odour presentation was an intense stare which was statistically significant, (p < 0.0029), across the pre-seizure, seizure and post-seizure phases when compared to control odours of nonseizure origin.
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Affiliation(s)
- Neil A. Powell
- School of Biological Sciences, Queens University Belfast, Belfast BT9 5DL, UK;
- Search and Rescue Dog Association Ireland North, Newcastle BT33 0PW, UK
| | - Alastair Ruffell
- School of Natural and Built Environment, Queens University Belfast, Belfast BT7 1NN, UK;
| | - Gareth Arnott
- School of Biological Sciences, Queens University Belfast, Belfast BT9 5DL, UK;
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Pulido H, Stanczyk NM, De Moraes CM, Mescher MC. A unique volatile signature distinguishes malaria infection from other conditions that cause similar symptoms. Sci Rep 2021; 11:13928. [PMID: 34230505 PMCID: PMC8260776 DOI: 10.1038/s41598-021-92962-x] [Citation(s) in RCA: 5] [Impact Index Per Article: 1.3] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Grants] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 02/04/2021] [Accepted: 05/06/2021] [Indexed: 01/18/2023] Open
Abstract
Recent findings suggest that changes in human odors caused by malaria infection have significant potential as diagnostic biomarkers. However, uncertainty remains regarding the specificity of such biomarkers, particularly in populations where many different pathological conditions may elicit similar symptoms. We explored the ability of volatile biomarkers to predict malaria infection status in Kenyan schoolchildren exhibiting a range of malaria-like symptoms. Using genetic algorithm models to explore data from skin volatile collections, we were able to identify malaria infection with 100% accuracy among children with fever and 75% accuracy among children with other symptoms. While we observed characteristic changes in volatile patterns driven by symptomatology, our models also identified malaria-specific biomarkers with robust predictive capability even in the presence of other pathogens that elicit similar symptoms.
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Affiliation(s)
- Hannier Pulido
- Department of Environmental Systems Science, ETH Zürich, 8092, Zürich, Switzerland
| | - Nina M Stanczyk
- Department of Environmental Systems Science, ETH Zürich, 8092, Zürich, Switzerland
| | - Consuelo M De Moraes
- Department of Environmental Systems Science, ETH Zürich, 8092, Zürich, Switzerland
| | - Mark C Mescher
- Department of Environmental Systems Science, ETH Zürich, 8092, Zürich, Switzerland.
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Ghanbariasad A, Valizadeh A, Ghadimi SN, Fereidouni Z, Osanloo M. Nanoformulating Cinnamomum zeylanicum essential oil with an extreme effect on Leishmania tropica and Leishmania major. J Drug Deliv Sci Technol 2021. [DOI: 10.1016/j.jddst.2021.102436] [Citation(s) in RCA: 11] [Impact Index Per Article: 2.8] [Reference Citation Analysis] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 11/16/2022]
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Martinez J, Showering A, Oke C, Jones RT, Logan JG. Differential attraction in mosquito-human interactions and implications for disease control. Philos Trans R Soc Lond B Biol Sci 2020; 376:20190811. [PMID: 33357061 PMCID: PMC7776937 DOI: 10.1098/rstb.2019.0811] [Citation(s) in RCA: 21] [Impact Index Per Article: 4.2] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 12/26/2022] Open
Abstract
Mosquito-borne diseases are a major burden on human health worldwide and their eradication through vector control methods remains challenging. In particular, the success of vector control interventions for targeting diseases such as malaria is under threat, in part due to the evolution of insecticide resistance, while for other diseases effective control solutions are still lacking. The rate at which mosquitoes encounter and bite humans is a key determinant of their capacity for disease transmission. Future progress is strongly reliant on improving our understanding of the mechanisms leading to a mosquito bite. Here, we review the biological factors known to influence the attractiveness of mosquitoes to humans, such as body odour, the skin microbiome, genetics and infection by parasites. We identify the knowledge gaps around the relative contribution of each factor, and the potential links between them, as well as the role of natural selection in shaping vector–host–parasite interactions. Finally, we argue that addressing these questions will contribute to improving current tools and the development of novel interventions for the future. This article is part of the theme issue ‘Novel control strategies for mosquito-borne diseases'.
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Affiliation(s)
- Julien Martinez
- Department of Disease Control, Faculty of Infectious and Tropical Diseases, London School of Hygiene and Tropical Medicine, Keppel Street, London WC1E 7HT, UK
| | - Alicia Showering
- Department of Disease Control, Faculty of Infectious and Tropical Diseases, London School of Hygiene and Tropical Medicine, Keppel Street, London WC1E 7HT, UK
| | - Catherine Oke
- Department of Disease Control, Faculty of Infectious and Tropical Diseases, London School of Hygiene and Tropical Medicine, Keppel Street, London WC1E 7HT, UK
| | - Robert T Jones
- Department of Disease Control, Faculty of Infectious and Tropical Diseases, London School of Hygiene and Tropical Medicine, Keppel Street, London WC1E 7HT, UK
| | - James G Logan
- Department of Disease Control, Faculty of Infectious and Tropical Diseases, London School of Hygiene and Tropical Medicine, Keppel Street, London WC1E 7HT, UK
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Organic Thin-Film Transistors as Gas Sensors: A Review. MATERIALS 2020; 14:ma14010003. [PMID: 33375044 PMCID: PMC7792760 DOI: 10.3390/ma14010003] [Citation(s) in RCA: 12] [Impact Index Per Article: 2.4] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Download PDF] [Figures] [Subscribe] [Scholar Register] [Received: 10/30/2020] [Revised: 12/02/2020] [Accepted: 12/04/2020] [Indexed: 01/16/2023]
Abstract
Organic thin-film transistors (OTFTs) are miniaturized devices based upon the electronic responses of organic semiconductors. In comparison to their conventional inorganic counterparts, organic semiconductors are cheaper, can undergo reversible doping processes and may have electronic properties chiefly modulated by molecular engineering approaches. More recently, OTFTs have been designed as gas sensor devices, displaying remarkable performance for the detection of important target analytes, such as ammonia, nitrogen dioxide, hydrogen sulfide and volatile organic compounds (VOCs). The present manuscript provides a comprehensive review on the working principle of OTFTs for gas sensing, with concise descriptions of devices’ architectures and parameter extraction based upon a constant charge carrier mobility model. Then, it moves on with methods of device fabrication and physicochemical descriptions of the main organic semiconductors recently applied to gas sensors (i.e., since 2015 but emphasizing even more recent results). Finally, it describes the achievements of OTFTs in the detection of important gas pollutants alongside an outlook toward the future of this exciting technology.
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Activated carbon/titanium dioxide composite to adsorb volatile organic compounds associated with human body odor. Heliyon 2020; 6:e05455. [PMID: 33241142 PMCID: PMC7672321 DOI: 10.1016/j.heliyon.2020.e05455] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 06/04/2020] [Revised: 09/26/2020] [Accepted: 11/04/2020] [Indexed: 11/24/2022] Open
Abstract
The human body generates various malodor compounds in different body parts and even in the same parts. A more effective and versatile deodorant material that can suppress various key contributors to the body odor must be developed to improve the quality of life of affected individuals. In this study, activated carbon (AC) was found to have higher adsorption ability toward key body odor-generating compounds than zinc oxide (ZnO), which is a well-known deodorant material. To prevent pigmentation of human skin induced by the direct application of AC, white activated carbon (WAC) was developed by blending AC, titanium dioxide (TiO2), and ammonium acrylate copolymer. AC to TiO2 ratio of 1:6 was found to be the optimum blending ratio to form WAC. Compared with ZnO, this optimal WAC exhibited higher adsorption ability toward five key body odor compounds. The in vivo evaluation of the sample containing WAC revealed that it significantly suppressed the generation of axillary odor without a bactericidal effect. The developed WAC can effectively suppress the human body odor in different body parts. These findings are valuable for individuals experiencing psychological stress attributed to their unpleasant body odor.
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Aggarwal P, Baker J, Boyd MT, Coyle S, Probert C, Chapman EA. Optimisation of Urine Sample Preparation for Headspace-Solid Phase Microextraction Gas Chromatography-Mass Spectrometry: Altering Sample pH, Sulphuric Acid Concentration and Phase Ratio. Metabolites 2020; 10:metabo10120482. [PMID: 33255680 PMCID: PMC7760603 DOI: 10.3390/metabo10120482] [Citation(s) in RCA: 5] [Impact Index Per Article: 1.0] [Reference Citation Analysis] [Abstract] [Key Words] [Grants] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 09/28/2020] [Revised: 11/17/2020] [Accepted: 11/17/2020] [Indexed: 12/21/2022] Open
Abstract
Headspace-solid phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS) can be used to measure volatile organic compounds (VOCs) in human urine. However, there is no widely adopted standardised protocol for the preparation of urine samples for analysis resulting in an inability to compare studies reliably between laboratories. This paper investigated the effect of altering urine sample pH, volume, and vial size for optimising detection of VOCs when using HS-SPME-GC-MS. This is the first, direct comparison of H2SO4, HCl, and NaOH as treatment techniques prior to HS-SPME-GC-MS analysis. Altering urine sample pH indicates that H2SO4 is more effective at optimising detection of VOCs than HCl or NaOH. H2SO4 resulted in a significantly larger mean number of VOCs being identified per sample (on average, 33.5 VOCs to 24.3 in HCl or 12.2 in NaOH treated urine) and more unique VOCs, produced a more diverse range of classes of VOCs, and led to less HS-SPME-GC-MS degradation. We propose that adding 0.2 mL of 2.5 M H2SO4 to 1 mL of urine within a 10 mL headspace vial is the optimal sample preparation prior to HS-SPME-GC-MS analysis. We hope the use of our optimised method for urinary HS-SPME-GC-MS analysis will enhance our understanding of human disease and bolster metabolic biomarker identification.
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Affiliation(s)
- Prashant Aggarwal
- Department of Molecular and Clinical Cancer Medicine, Institute of Systems, Molecular and Integrative Biology, University of Liverpool, Liverpool L69 3BX, UK; (P.A.); (J.B.); (C.P.)
- School of Medicine, Cedar House, University of Liverpool, Liverpool L69 3GE, UK
| | - James Baker
- Department of Molecular and Clinical Cancer Medicine, Institute of Systems, Molecular and Integrative Biology, University of Liverpool, Liverpool L69 3BX, UK; (P.A.); (J.B.); (C.P.)
- School of Medicine, Cedar House, University of Liverpool, Liverpool L69 3GE, UK
| | - Mark T. Boyd
- Department of Molecular and Clinical Cancer Medicine, Institute of Systems, Molecular and Integrative Biology, Cancer Research Centre, University of Liverpool, Liverpool L3 9TA, UK;
| | - Séamus Coyle
- Palliative Care Institute Liverpool, Cancer Research Centre, University of Liverpool, Liverpool L3 9TA, UK;
- Clatterbridge Cancer Centre, Liverpool L7 8YA, UK
| | - Chris Probert
- Department of Molecular and Clinical Cancer Medicine, Institute of Systems, Molecular and Integrative Biology, University of Liverpool, Liverpool L69 3BX, UK; (P.A.); (J.B.); (C.P.)
| | - Elinor A. Chapman
- Department of Molecular and Clinical Cancer Medicine, Institute of Systems, Molecular and Integrative Biology, University of Liverpool, Liverpool L69 3BX, UK; (P.A.); (J.B.); (C.P.)
- Palliative Care Institute Liverpool, Cancer Research Centre, University of Liverpool, Liverpool L3 9TA, UK;
- School of Medical Sciences, Bangor University, Bangor, Gwynedd LL57 2DG, UK
- Correspondence:
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Natalia Drabińska, Starowicz M, Krupa-Kozak U. Headspace Solid-Phase Microextraction Coupled with Gas Chromatography–Mass Spectrometry for the Determination of Volatile Organic Compounds in Urine. JOURNAL OF ANALYTICAL CHEMISTRY 2020. [DOI: 10.1134/s1061934820060088] [Citation(s) in RCA: 4] [Impact Index Per Article: 0.8] [Reference Citation Analysis] [Track Full Text] [Subscribe] [Scholar Register] [Indexed: 12/25/2022]
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Identification of salivary volatile organic compounds as potential markers of stomach and colorectal cancer: A pilot study. J Oral Biosci 2020; 62:212-221. [PMID: 32474113 DOI: 10.1016/j.job.2020.05.002] [Citation(s) in RCA: 9] [Impact Index Per Article: 1.8] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 03/19/2020] [Revised: 05/12/2020] [Accepted: 05/14/2020] [Indexed: 02/06/2023]
Abstract
OBJECTIVES The purpose of the pilot study was to determine the potential diagnostic capabilities for the analysis of oxygen-containing salivary volatile organic compounds (VOCs) in stomach and colorectal cancer. METHODS Saliva samples of 11 patients with stomach cancer, 18 patients with colorectal cancer, and 16 healthy volunteers were analyzed through capillary gas chromatography. The levels of lipid peroxidation products and catalase activity were determined in all samples. To assess saliva diagnostic potential, we constructed a Classification and Regression Tree (CART). RESULTS It was shown that the use of a combination of saliva VOCs (acetaldehyde, acetone, propanol-2, and ethanol) allowed classification into Cancer/Control groups with a sensitivity and specificity of 95.7 and 90.9%, respectively. To clarify the location of the tumor, it was necessary to add a methanol level; in this case, the sensitivity for detecting stomach and colorectal cancer was 80.0% and 92.3%, respectively, while the specificity in both cases was 100%. When the lipid peroxidation product content was added to the VOC indicators, they were selected as the main factors for constructing the decision tree. For classification into Cancer/Control groups, only the triene conjugate and Schiff base content in saliva was sufficient. The combination of VOCs in saliva and lipid peroxidation indices improved the sensitivity and specificity for classification to 100%. CONCLUSION Preliminary data were obtained on the sensitivity and specificity of the diagnosis of stomach and colorectal cancer, which confirmed the promise of further studies on saliva VOCs for the purpose of clinical laboratory diagnostics.
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Rochard G, Ciotonea C, Ungureanu A, Giraudon J, Royer S, Lamonier J. MnO
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‐loaded Mesoporous Silica for the Catalytic Oxidation of Formaldehyde. Effect of the Melt Infiltration Conditions on the Activity – Stability Behavior. ChemCatChem 2020. [DOI: 10.1002/cctc.201901902] [Citation(s) in RCA: 5] [Impact Index Per Article: 1.0] [Reference Citation Analysis] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 12/19/2022]
Affiliation(s)
- Guillaume Rochard
- Univ. Lille, CNRS, ENSCL, Centrale Lille, Univ. Artois, UMR 8181 – UCCS –Unité de Catalyse et Chimie du Solide 59000 Lille France
| | - Carmen Ciotonea
- Univ. Lille, CNRS, ENSCL, Centrale Lille, Univ. Artois, UMR 8181 – UCCS –Unité de Catalyse et Chimie du Solide 59000 Lille France
| | - Adrian Ungureanu
- “Gheorghe Asachi” Technical University of IasiFaculty of Chemical Engineering and Environmental Protection 73 D. Mangeron Bvd. 700050 Iasi Romania
| | - Jean‐Marc Giraudon
- Univ. Lille, CNRS, ENSCL, Centrale Lille, Univ. Artois, UMR 8181 – UCCS –Unité de Catalyse et Chimie du Solide 59000 Lille France
| | - Sébastien Royer
- Univ. Lille, CNRS, ENSCL, Centrale Lille, Univ. Artois, UMR 8181 – UCCS –Unité de Catalyse et Chimie du Solide 59000 Lille France
| | - Jean‐François Lamonier
- Univ. Lille, CNRS, ENSCL, Centrale Lille, Univ. Artois, UMR 8181 – UCCS –Unité de Catalyse et Chimie du Solide 59000 Lille France
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Iitani K, Toma K, Arakawa T, Mitsubayashi K. Transcutaneous Blood VOC Imaging System (Skin-Gas Cam) with Real-Time Bio-Fluorometric Device on Rounded Skin Surface. ACS Sens 2020; 5:338-345. [PMID: 31874557 DOI: 10.1021/acssensors.9b01658] [Citation(s) in RCA: 8] [Impact Index Per Article: 1.6] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 01/31/2023]
Abstract
A skin-gas cam that allows continuous imaging of transcutaneous blood volatile organic compounds (VOCs) emanated from human skin was developed. The skin-gas cam is able to reveal the relationship between the local skin conditions and transcutaneous blood VOCs in the field of volatile metabolomics (volatolomics). A ring-type ultraviolet (UV) light-emitting diode was mounted around a camera lens as an excitation light source, which enabled the simultaneous excitation and imaging of fluorescence. A nicotinamide adenine dinucleotide (NAD)-dependent alcohol dehydrogenase (ADH) was used to detect ethanol as a model sample. When gaseous ethanol was applied to an ADH-immobilized mesh that was wetted with an oxidized NAD solution placed in front of the camera, a reduced form of NAD (NADH) was produced through an ADH-mediated reaction. NADH emits fluorescence by UV excitation, and thus, the concentration distribution of ethanol was visualized by measuring the distribution of the fluorescence light intensity from NADH on the ADH-immobilized mesh surface. In this study, a new gas application method that mimicked the release mechanism of transcutaneous gas for quantification of the transcutaneous gas concentration was evaluated. Also, spatiotemporal changes of transcutaneous ethanol for various body parts were measured. As a result, we revealed a relationship between local skin conditions and VOCs that could not be observed previously. In particular, we demonstrated the facile measurement of transdermal gases from around the ear where capillaries are densely distributed below a thin stratum corneum.
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Affiliation(s)
- Kenta Iitani
- Japan Society for the Promotion of Science, 5-3-1 Kojimachi, Chiyoda-ku, Tokyo 102-0083, Japan
- Department of Life Science and Medical Bioscience, Graduate School of Advanced Science and Engineering, Waseda University (TWIns), 2-2 Wakamatsu-cho, Shinjuku-ku, Tokyo 162-8480, Japan
- Department of Biomedical Devices and Instrumentation, Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyoda-ku, Tokyo 101-0062, Japan
| | - Koji Toma
- Department of Biomedical Devices and Instrumentation, Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyoda-ku, Tokyo 101-0062, Japan
| | - Takahiro Arakawa
- Department of Biomedical Devices and Instrumentation, Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyoda-ku, Tokyo 101-0062, Japan
| | - Kohji Mitsubayashi
- Department of Biomedical Devices and Instrumentation, Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyoda-ku, Tokyo 101-0062, Japan
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Fujita A, Okuno T, Oda M, Kato K. Urinary volatilome analysis in a mouse model of anxiety and depression. PLoS One 2020; 15:e0229269. [PMID: 32084196 PMCID: PMC7034835 DOI: 10.1371/journal.pone.0229269] [Citation(s) in RCA: 7] [Impact Index Per Article: 1.4] [Reference Citation Analysis] [Abstract] [MESH Headings] [Grants] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 05/09/2019] [Accepted: 02/03/2020] [Indexed: 11/27/2022] Open
Abstract
Psychiatric disorders including depression and anxiety comprise a broad range of conditions with different symptoms. We have developed a mouse model of depression/anxiety in mice deficient in the St3gal4 gene. In this study, we performed a comparative analysis of urinary volatile organic compounds (VOCs) in St3gal4-deficient (St3gal4-KO) and wild-type mice using gas chromatography-mass spectrometry, and we screened 18 putative VOCs. Principal component analysis (PCA) based on these VOCs identified a major group of 11 VOCs, from which two groups were clarified by hierarchical clustering analysis. One group including six VOCs (pentanoic acid, 4-methyl-, ethyl ester; 3-heptanone, 6-methyl; benzaldehyde; 5,9-undecadien-2-ol, 6,10-dimethyl; and unknown compounds RI1291 and RI1237) was correlated with the startle response (r = 0.620), which is related to an unconscious defensive response. The other group including two VOCs (beta-farnesene and alpha-farnesene) comprised pheromones which increased in KO mice. Next, male mice underwent a social behavior test with female mice in the estrus stage, showing reduced access of KO male mice to female mice. Comparative analysis of urinary VOCs before and after encounters revealed that the six VOCs were not changed by these encounters. However, in WT mice, the two farnesenes increased after the encounters, reaching the level observed in KO mice, which was not altered following the encounter. Taken together, these results indicated that St3gal4 was involved in modulating urinary VOCs. Moreover, VOC clusters discovered by comparison of St3gal4-KO mice with WT mice were correlated with differential emotional behaviors.
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Affiliation(s)
- Akiko Fujita
- Faculty of Life Sciences, Kyoto Sangyo University, Kyoto, Japan
| | - Takaya Okuno
- Faculty of Life Sciences, Kyoto Sangyo University, Kyoto, Japan
| | - Mika Oda
- Faculty of Life Sciences, Kyoto Sangyo University, Kyoto, Japan
| | - Keiko Kato
- Faculty of Life Sciences, Kyoto Sangyo University, Kyoto, Japan
- * E-mail:
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HS-SPME-GC-MS approach for the analysis of volatile salivary metabolites and application in a case study for the indirect assessment of gut microbiota. Anal Bioanal Chem 2019; 411:7551-7562. [PMID: 31641822 DOI: 10.1007/s00216-019-02158-6] [Citation(s) in RCA: 17] [Impact Index Per Article: 2.8] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 07/26/2019] [Revised: 08/29/2019] [Accepted: 09/18/2019] [Indexed: 02/07/2023]
Abstract
In this work, a straightforward analytical approach based on headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry was developed for the analysis of salivary volatile organic compounds without any prior derivatization step. With a sample volume of 500 μL, optimal conditions were achieved by allowing the sample to equilibrate for 10 min at 50 °C and then extracting the samples for 10 min at the same temperature, using a carboxen/polydimethylsiloxane fibre. The method allowed the simultaneous identification and quantification of 20 compounds in sample headspace, including short-chain fatty acids and their derivatives which are commonly analysed after analyte derivatization. The proof of applicability of the methodology was performed with a case study regarding the analysis of the dynamics of volatile metabolites in saliva of a single subject undergoing 5-day treatment with rifaximin antibiotic. Non-stimulated saliva samples were collected over 3 weeks from a nominally healthy volunteer before, during, and after antibiotic treatment. The variations of some metabolites, known to be produced by the microbiota and by bacteria that are susceptible to antibiotics, suggest that the study of the dynamics of salivary metabolites can be an excellent indirect method for analysing the gut microbiota. This approach is novel from an analytical standpoint, and it encourages further studies combining saliva metabolite profiles and gut microbiota dynamics. Graphical abstract.
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Gaby JM, Dalton P. Discrimination Between Individual Body Odors Is Unaffected by Perfume. Perception 2019; 48:1104-1123. [PMID: 31474186 DOI: 10.1177/0301006619872055] [Citation(s) in RCA: 1] [Impact Index Per Article: 0.2] [Reference Citation Analysis] [Key Words] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 11/15/2022]
Affiliation(s)
- Jessica M Gaby
- Monell Chemical Senses Center, Philadelphia, PA, USA; Department of Psychology, Cornell University, Ithaca, NY, USA; Department of Food Science, Penn State University, State College, PA, USA
| | - Pamela Dalton
- Monell Chemical Senses Center, Philadelphia, PA, USA
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Franchina FA, Purcaro G, Burklund A, Beccaria M, Hill JE. Evaluation of different adsorbent materials for the untargeted and targeted bacterial VOC analysis using GC×GC-MS. Anal Chim Acta 2019; 1066:146-153. [DOI: 10.1016/j.aca.2019.03.027] [Citation(s) in RCA: 13] [Impact Index Per Article: 2.2] [Reference Citation Analysis] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 11/23/2018] [Revised: 03/07/2019] [Accepted: 03/13/2019] [Indexed: 10/27/2022]
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Einoch Amor R, Nakhleh MK, Barash O, Haick H. Breath analysis of cancer in the present and the future. Eur Respir Rev 2019; 28:28/152/190002. [DOI: 10.1183/16000617.0002-2019] [Citation(s) in RCA: 51] [Impact Index Per Article: 8.5] [Reference Citation Analysis] [Abstract] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 01/10/2019] [Accepted: 05/19/2019] [Indexed: 12/11/2022] Open
Abstract
Most of the currently used diagnostics for cancerous diseases have yet to meet the standards of screening, as they are insufficiently accurate and/or invasive and risky. In this review, we describe the rationale, the progress made to date, and the potential of analysing the exhaled volatile organic compounds as a pathway for enabling early diagnosis of cancer and, therefore, for achieving better clinical prognosis and survival rates. The review highlights the major advancements made in this field, from fundamentals, up to translational phases and clinical trials, with a special emphasis on sensing platforms based on nanomaterials. The prospects for breath analysis in early cancerous disease are presented and discussed.
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