Detection of Volatile Organic Compounds in Complex Mixtures

A special issue of Chemosensors (ISSN 2227-9040). This special issue belongs to the section "Applied Chemical Sensors".

Deadline for manuscript submissions: 10 December 2025 | Viewed by 5406

Special Issue Editors


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Guest Editor
Department of Chemistry and Biochemistry, Global Forensic and Justice Center, Florida International University, Miami, FL 33199, USA
Interests: VOC detection; VOC mixture characterization; canine detection

E-Mail Website
Guest Editor
Chemistry Division, US Naval Research Laboratory, Washington, DC 20375, USA
Interests: chemometric analysis; multisensor system design; sensor array optimization and quality metrics

Special Issue Information

Dear Colleagues,

Natural olfactory systems have remarkable selectivity and sensitivity, allowing them to navigate chemical sensing tasks in a complex world. While many have tried to replicate animal olfaction for the detection of volatile organic compounds (VOCs), it is immensely challenging to replicate such selectivity. In particular, chemosensor-based systems can often exhibit disappointing performances as they move from initial testing in simplified laboratory environments to sensing tasks occurring in a more complex chemical world due to unanticipated interferences and environmental conditions.

This Special Issue of Chemosensors, entitled “Detection of Volatile Organic Compounds in Complex Mixtures”, seeks contributions that contemplate the analysis of complex mixtures or detection in a complex background. Authors are invited to submit papers that describe detection efforts in complex real-world environments or methods of analysis, detection and characterization of complex VOC mixtures. Papers may cover topics such as the use of sensor arrays, determination of target analytes from complex mixtures, novel sensing and analytical instrumentation for complex environments, and bio-, biomimetic and animal chemical sensing in real-world or complex environments.

Dr. Lauryn E. DeGreeff
Dr. Kevin Johnson
Guest Editors

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Keywords

  • volatile organic compounds
  • complex mixtures
  • sensor arrays
  • machine olfaction
  • sensor validation
  • novel analytical instrumentation
  • novel sensing materials

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Published Papers (3 papers)

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Research

18 pages, 1503 KB  
Article
Investigation of Distinct Odor Profiles of Blood over Time Using Chemometrics and Detection Canine Response
by Fantasia Whaley, Valerie Albizu, Jordi Cruz, Rushali Dargan and Lauryn DeGreeff
Chemosensors 2025, 13(9), 349; https://doi.org/10.3390/chemosensors13090349 - 11 Sep 2025
Viewed by 1414
Abstract
The detection of blood by human remains detection (HRD) canines and blood detection dogs (BDDs) is crucial to both search and rescue (SAR) and crime scene investigation. They can be used to find both missing persons and to detect otherwise undetectable blood evidence [...] Read more.
The detection of blood by human remains detection (HRD) canines and blood detection dogs (BDDs) is crucial to both search and rescue (SAR) and crime scene investigation. They can be used to find both missing persons and to detect otherwise undetectable blood evidence at crime scenes. An added level of difficulty with training occurs as blood volatile organic compounds (VOCs) are drastically affected by time. Previous studies have shown this, with a focus on a longer timescale (weeks/months). Little data exists on the changes in the first 48 h, the most crucial time in SAR, something this study aims to rectify. Data was collected using headspace solid-phase microextraction/gas chromatography–mass spectrometry, which was then analyzed using chemometrics and confirmed with canine trials. The results of the laboratory analysis indicated that there were multiple, distinct odor profiles between the 1 h and 2-week time windows—namely, the fresh, intermediate, and aged stages of decomposition. The noted changes in the odor profiles were validated with HRD canine trials. Canines had difficulty detecting the fresh blood (1–2 h old) and had the greatest detection rate for the aged blood (34–36 h old). Both the chemical analysis and canine behavior data displayed a clear change in the odor profile within the first 48 h. This information will assist SAR, HRD, and BBD training to ensure they train on all distinct odor profiles. Full article
(This article belongs to the Special Issue Detection of Volatile Organic Compounds in Complex Mixtures)
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14 pages, 681 KB  
Article
Breathprint-Based Endotyping of COPD and Bronchiectasis COPD Overlap Using Electronic Nose Technology: A Prospective Observational Study
by Vitaliano Nicola Quaranta, Mariafrancesca Grimaldi, Silvano Dragonieri, Alessio Marinelli, Andrea Portacci, Maria Rosaria Vulpi and Giovanna Elisiana Carpagnano
Chemosensors 2025, 13(8), 311; https://doi.org/10.3390/chemosensors13080311 - 16 Aug 2025
Viewed by 669
Abstract
Chronic obstructive pulmonary disease (COPD) is a heterogeneous syndrome with multiple clinical and inflammatory phenotypes. The coexistence of bronchiectasis, known as bronchiectasis–COPD overlap (BCO), identifies a subgroup with increased morbidity and mortality. Non-invasive breath analysis using electronic noses (e-noses) has shown promise in [...] Read more.
Chronic obstructive pulmonary disease (COPD) is a heterogeneous syndrome with multiple clinical and inflammatory phenotypes. The coexistence of bronchiectasis, known as bronchiectasis–COPD overlap (BCO), identifies a subgroup with increased morbidity and mortality. Non-invasive breath analysis using electronic noses (e-noses) has shown promise in identifying disease-specific volatile organic compound (VOC) patterns (“breathprints”). Our aim was to evaluate the ability of an e-nose to differentiate between COPD and BCO patients, and to assess its utility in detecting inflammatory endotypes (neutrophilic vs. eosinophilic). In a monocentric, prospective, real-life study, 98 patients were enrolled over nine months. Forty-two patients had radiologically confirmed BCO, while fifty-six had COPD without bronchiectasis. Exhaled breath samples were analyzed using the Cyranose 320 e-nose. Principal component analysis (PCA) and discriminant analysis were used to identify group-specific breathprints and inflammatory profiles. PCA revealed significant breathprint differences between BCO and COPD (p = 0.021). Discriminant analysis yielded an overall accuracy of 69.6% (AUC 0.768, p = 0.037). The highest classification performance (76.8%) was achieved when distinguishing eosinophilic COPD from neutrophilic BCO. These findings suggest distinct inflammatory profiles that may be captured non-invasively. E-nose technology holds potential for the non-invasive endotyping of COPD, especially in identifying neutrophilic BCO as a unique inflammatory entity. Breathomics may support early, personalized treatment strategies. Full article
(This article belongs to the Special Issue Detection of Volatile Organic Compounds in Complex Mixtures)
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11 pages, 1227 KB  
Article
Sampling and Comparison of Extraction Techniques Coupled with Gas Chromatography–Mass Spectrometry (GC-MS) for the Analysis of Substrates Exposed to Explosives
by Himanshi Upadhyaya, Alexis J. Hecker and John V. Goodpaster
Chemosensors 2024, 12(12), 251; https://doi.org/10.3390/chemosensors12120251 - 29 Nov 2024
Viewed by 1864
Abstract
Explosive-detecting canines (EDCs) show high sensitivity in detecting explosives that they are trained to detect. The ability of canines to detect explosive residues to the parts per trillion level can sometimes result in nuisance alerts. These nuisance alerts can occur when various materials [...] Read more.
Explosive-detecting canines (EDCs) show high sensitivity in detecting explosives that they are trained to detect. The ability of canines to detect explosive residues to the parts per trillion level can sometimes result in nuisance alerts. These nuisance alerts can occur when various materials (i.e., substrates) are exposed to volatile organic compounds (VOCs) present in explosive mixtures, leading to contamination—the unintended absorption or adsorption of VOCs by the substrate. Chemical constituents such as taggant, plasticizer, and residual solvent in explosives are often composed of VOCs that canines are trained on to detect explosives. Composition C-4 (C4) is a common explosive that EDCs are trained to detect and hence is this study’s focus. Common VOCs of interest emitted from C4 include 2,3-dimethyl-2,3-dinitrobutane (DMNB), 2-ethyl-1 hexanol (2E1H), and cyclohexanone. In this study, we developed a protocol for comparing different substrates such as cotton, cardboard, wood, sheet metal, and glass that were exposed to volatiles from C4. 1-bromooctane (1-BO) was used as a single-odor compound to compare the complex odor originating from C4. Triplicates of substrates such as cotton, wood, cardboard, sheet metal, and glass were exposed to 1 g of C4 in a paint can for one week and the substrates were then extracted using various extraction methods such as liquid injection, direct SPME, and headspace analysis coupled with gas chromatography–mass spectrometry. An extraction time study was performed to determine the optimal extraction time for SPME analysis, and it was found to be 20 min. Comparison of extraction methods revealed that SPME surpassed other techniques as DMNB was found on all substrates using SPME. It was observed that porous substrates such as wood and cardboard have a higher retention capacity for volatiles in comparison to non-porous substrates such as sheet metal and glass. Finally, swabbing was evaluated as a sampling technique for the substrates of interest and the extracts were analyzed using the total vaporization–solid phase microextraction (TV-SPME) technique. No volatiles associated with C4 were identified on conducting a GC-MS analysis, suggesting that swabbing is not an ideal technique for analysis of substrates exposed to C4. Full article
(This article belongs to the Special Issue Detection of Volatile Organic Compounds in Complex Mixtures)
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