Modern approaches for detection of volatile organic compounds in metabolic studies focusing on pathogenic bacteria:Current state of the art

Pathogenic microorganisms produce numerous metabolites,including volatile organic compounds(VOCs).Monitoring these metabolites in biological matrices(e.g.,urine,blood,or breath)can reveal the presence of specific microorganisms,enabling the early diagnosis of infections and the timely implementation of tar-geted therapy.However,complex matrices only contain trace levels of VOCs,and their constituent com-ponents can hinder determination of these compounds.Therefore,modern analytical techniques enabling the non-invasive identification and precise quantification of microbial VOCs are needed.In this paper,we discuss bacterial VOC analysis under in vitro conditions,in animal models and disease diagnosis in humans,including techniques for offline and online analysis in clinical settings.We also consider the advantages and limitations of novel microextraction techniques used to prepare biological samples for VOC analysis,in addition to reviewing current clinical studies on bacterial volatilomes that address inter-species in-teractions,the kinetics of VOC metabolism,and species-and drug-resistance specificity.

Comparative evaluation of commercial Douchi by different molds:biogenic amines,non-volatile and volatile compounds

To provide new insights into the development and utilization of Douchi artificial starters,three common strains(Aspergillus oryzae,Mucor racemosus,and Rhizopus oligosporus)were used to study their influence on the fermentation of Douchi.The results showed that the biogenic amine contents of the three types of Douchi were all within the safe range and far lower than those of traditional fermented Douchi.Aspergillus-type Douchi produced more free amino acids than the other two types of Douchi,and its umami taste was more prominent in sensory evaluation(P<0.01),while Mucor-type and Rhizopus-type Douchi produced more esters and pyrazines,making the aroma,sauce,and Douchi flavor more abundant.According to the Pearson and PLS analyses results,sweetness was significantly negatively correlated with phenylalanine,cysteine,and acetic acid(P<0.05),bitterness was significantly negatively correlated with malic acid(P<0.05),the sour taste was significantly positively correlated with citric acid and most free amino acids(P<0.05),while astringency was significantly negatively correlated with glucose(P<0.001).Thirteen volatile compounds such as furfuryl alcohol,phenethyl alcohol,and benzaldehyde caused the flavor difference of three types of Douchi.This study provides theoretical basis for the selection of starting strains for commercial Douchi production.

Effect of different drying methods on the amino acids,α-dicarbonyls and volatile compounds of rape bee pollen

The significant demand for high quality food has motivated us to adopt appropriate processing methods to improve the food nutritional quality and flavors.In this study,the effects of five drying methods,namely,pulsed vacuum drying(PVD),freeze drying(FD),infrared drying(IRD),hot-air drying(HAD)and sun drying(SD)on free amino acids(FAAs),α-dicarbonyl compounds(α-DCs)and volatile compounds(VOCs)in rape bee pollen(RBP)were determined.The results showed that FD significantly released the essential amino acids(EAAs)compared with fresh samples while SD caused the highest loss.Glucosone was the dominantα-DCs in RBP and the highest loss was observed after PVD.Aldehydes were the dominant volatiles of RBP and SD samples contained more new volatile substances(especially aldehydes)than the other four drying methods.Comprehensively,FD and PVD would be potential methods to effectively reduce the quality deterioration of RBP in the drying process.

Exploring Nutritional Compositions,Volatile Compounds,Health Benefits,Emerging Processing Technologies,and Potential Food Products of Glutinous Rice:A Review

Glutinous rice(Oryza sativa var.glutinosa)stands out as one of the most popular rice varieties globally,amidst thousands of rice cultivars.Its increasing popularity is attributed to its rich nutritional compositions and health benefits.This review aims to summarize the nutritional compositions,volatile compounds,and health benefits of glutinous rice.Further,in-depth studies are necessary to explore the utilization of glutinous rice in enhancing processing technologies and developing new food products.Glutinous rice has been shown to possess numerous health benefits,including antioxidant activity,bioactive compounds,anti-cancer properties,anti-inflammatory effects,anti-diabetic potential,and cholesterol-lowering effects.Besides its nutritional compositions,the major volatile compounds identified in glutinous rice could serve as a functional food for human consumption.Emerging processing technologies related to glutinous rice are elaborated to improve the latest developments for incorporating them into various food products.

Evolution of free amino acids, biogenic amines and volatile compounds in fermented sausages inoculated with Lactiplantibacillus plantarum and Staphylococcus simulans

Lactic acid bacteria and coagulase-negative staphylococci play an important role in the production of fermented sausages,such as inhibiting the growth of undesirable bacteria and antioxidant.In this study,the effects of inoculation with different starter cultures(Lactiplantibacillus plantarum HN108 and Staphylococcus simulans NJ209)on the free amino acids(FAAs),biogenic amines(BAs)and volatile compounds of fermented sausages were investigated using an amino acid analyzer,ultra performance liquid chromatography and gas chromatography-ion mobility spectrometry,respectively.The pH and carbonyl content of the inoculated group was significantly lower than those in the control group(P<0.05).L.plantarum HN108 significantly reduced the content of FAAs and BAs in fermented sausage production(P<0.05),while S.simulans NJ209 promoted the formation of FAAs(especially bitter amino acids)and exhibited slight BAs-reducing activity.In addition,L.plantarum HN108 promoted the formation of volatile compounds such as ketones,alcohols and alkenes in sausages.In conclusion,L.plantarum HN108 could contribute to reducing the content of putrescine and tyramine and forming the desirable flavor compounds in fermented sausages.Thus,L.plantarum HN108 is expected to be a starter culture that can improve the safety and flavor of fermented sausages.

Identification of breath volatile organic compounds to distinguish pancreatic adenocarcinoma,pancreatic cystic neoplasm,and patients without pancreatic lesions

BACKGROUND Volatile organic compounds(VOCs)are a promising potential biomarker that may be able to identify the presence of cancers.AIM To identify exhaled breath VOCs that distinguish pancreatic ductal adenocar-cinoma(PDAC)from intraductal papillary mucinous neoplasm(IPMN)and healthy volunteers.METHODS We collected exhaled breath from histologically proven PDAC patients,radiological diagnosis IPMN,and healthy volunteers using the ReCIVA®device between 10/2021-11/2022.VOCs were identified by thermal desorption-gas chromatography/field-asymmetric ion mobility spectrometry and compared between groups.RESULTS A total of 156 participants(44%male,mean age 62.6±10.6)were enrolled(54 PDAC,42 IPMN,and 60 controls).Among the nine VOCs identified,two VOCs that showed differences between groups were dimethyl sulfide[0.73 vs 0.74 vs 0.94 arbitrary units(AU),respectively;P=0.008]and acetone dimers(3.95 vs 4.49 vs 5.19 AU,respectively;P<0.001).After adjusting for the imbalance parameters,PDAC showed higher dimethyl sulfide levels than the control and IPMN groups,with adjusted odds ratio(aOR)of 6.98(95%CI:1.15-42.17)and 4.56(1.03-20.20),respectively(P<0.05 both).Acetone dimer levels were also higher in PDAC compared to controls and IPMN(aOR:5.12(1.80-14.57)and aOR:3.35(1.47-7.63),respectively(P<0.05 both).Acetone dimer,but not dimethyl sulfide,performed better than CA19-9 in PDAC diagnosis(AUROC 0.910 vs 0.796).The AUROC of acetone dimer increased to 0.936 when combined with CA19-9,which was better than CA19-9 alone(P<0.05).CONCLUSION Dimethyl sulfide and acetone dimer are VOCs that potentially distinguish PDAC from IPMN and healthy participants.Additional prospective studies are required to validate these findings.

Towards green asphalt materials with lower emission of volatile organic compounds: A review on the release characteristics and its emission reduction additives

Recently, researchers in the road field are focusing on the development of green asphalt materials with loweremission of volatile organic compounds (VOCs). The characterization methodology of asphalt VOCs and theinfluencing factors on VOCs release have always been the basic issue of asphalt VOCs emission reduction research.Researchers have proposed a variety of asphalt VOCs characterization methodologies, which also have mutuallyirreplaceable characteristics. Asphalt VOCs volatilization is affected by many factors. In this study, asphalt VOCscharacterization methodologies were summarized, including their advantages, disadvantages, characteristics andapplicable requirements. Subsequently, the influencing factors of VOCs release, such as asphalt types and environment conditions, are summarized to provide theoretical support for the emission reduction research. Theclassification and mechanism of newly-development asphalt VOCs emission reduction materials are reviewed. Thereduction efficiencies are also compared to select better materials and put forward the improvement objective ofnew materials and new processes. In addition, the prospects about development of VOCs release mechanism ofasphalt materials during the full life cycle and feasibility research of high-efficiency composite emission reductionmaterials in the future were put forward.

Volatile Organic Compounds (VOCs) in China: Progress and Prospects of Research on Treatment Technologies and Policy Provisions

Volatile organic compounds (VOCs) are an atmospheric pollutant with a boiling point of 50˚C - 260˚C at room temperature and pressure. They are precursors of sulfur dioxide and ozone, which can seriously pollute the atmosphere and endanger human health. After the “14th Five-Year Plan”, VOCs, instead of SO2, became one of the five indicators of China’s atmospheric governance. As a result, the government’s efforts to control VOCs have increased significantly. VOCs governance mustn’t be delayed. This paper provides a comprehensive summary and analysis of VOCs governance, covering the classification of VOCs, analysis of VOC governance technology (with a focus on end-of-pipe governance technology), national policy regulations, current governance shortcomings, and a forward-looking perspective on the future direction of VOCs governance, emphasizing healthy and sustainable development.

Impact of Low-temperature Storage on Volatile Flavor Compounds in Prepared Pork Products

[Objectives]This study was conducted to explore the dynamic changes of volatile flavor compounds in prepared pork during storage at different low-temperature conditions.[Methods]Prepared pork was stored at 4,-4 and-18℃.The volatile flavor compounds of prepared pork were determined by solid-phase microextraction-gas chromatography-mass spectrometry(SPME-GC-MS)at days 0,7,14,21 and 28,and relative odor activity value(OAV),principal component analysis(PCA)and cluster analysis(CA)were combined to analyze changes in volatile flavor compounds of prepared pork during storage.[Results]The total number of volatile flavor compounds gradually decreased with the prolongation of the storage period,and OAV analysis identified 22 key flavor compounds(OAV≥1).The results of PCA and CA showed that 2-methyl-1-butanol,1-octen-3-ol,linalool,cineole,hexanal and nonanal were the main key flavor components,and the degree of flavor degradation was low under both superchilling and freezing conditions.After 28 days of storage,the alcohol content in the chilling group was significantly higher than other two groups,and the overall content of volatile flavor compounds was also significantly higher than other two groups,indicating that the-4℃chilling storage was more favorable for maintaining the overall flavor of prepared pork.[Conclusions]This study provides a theoretical basis for finding a better storage method for prepared meat products.

Exhaled volatile organic compounds for diagnosis and monitoring of asthma

The asthmatic inflammatory process results in the generation of volatile organic compounds(VOCs),which are subsequently secreted by the airways.The study of these elements through gas chromatography-mass spectrometry(GC-MS),which can identify individual molecules with a discriminatory capacity of over 85%,and electronic-Nose(e-NOSE),which is able to perform a quick onboard pattern-recognition analysis of VOCs,has allowed new prospects for non-invasive analysis of the disease in an"omics"approach.In this review,we aim to collect and compare the progress made in VOCs analysis using the two methods and their instrumental characteristics.Studies have described the potential of GC-MS and e-NOSE in a multitude of relevant aspects of the disease in both children and adults,as well as differential diagnosis between asthma and other conditions such as wheezing,cystic fibrosis,COPD,allergic rhinitis and last but not least,the accuracy of these methods compared to other diagnostic tools such as lung function,FeNO and eosinophil count.Due to significant limitations of both methods,it is still necessary to improve and standardize techniques.Currently,e-NOSE appears to be the most promising aid in clinical practice,whereas GC-MS,as the gold standard for the structural analysis of molecules,remains an essential tool in terms of research for further studies on the pathophysiologic pathways of the asthmatic inflammatory process.In conclusion,the study of VOCs through GC-MS and e-NOSE appears to hold promise for the noninvasive diagnosis,assessment,and monitoring of asthma,as well as for further research studies on the disease.

Correlation between dominant bacterial community and non-volatile organic compounds during the fermentation of shrimp sauces

Shrimp sauce,one of the traditional salt-fermented food in China,has a unique flavor that is influenced by the resident microflora.The quality of salt-fermented shrimp sauce was evaluated in this work by determining the total volatile basic nitrogen(TVB-N),the amino acid nitrogen(AAN),organic acid,5’-nucleotide and free amino acids(FAA).Moreover,the dynamics of microbial diversity during processing was investigated by using high-throughput sequencing technology.The results showed that the AAN,TVB-N,organic acid,5’-nucleotide and FAA content were in range of 0.93-1.42 g/100 mL,49.91-236.27 mg/100 mL,6.65-20.68 mg/mL,3.51-6.56 mg/mL and 81.27-102.90 mg/mL.Among the microbial diversity found in the shrimp sauce,Tetragenococcus,Flavobacterium,Polaribacter,Haematospirillum and Staphylococcus were the predominant genera.Correlation analysis indicated that the bacteria Tetragenococcus and Staphylococcus were important in the formation of non-volatile compounds.Tetragenococcus positively correlated with a variety of FAAs;Staphylococcus positively correlated with 5’-nucleotides.The analysis indicated that Tetragenococcus and Staphylococcus were the core genera affecting non-volatile components.These findings indicate the dynamics of the bacterial community and non-volatile components inter-relationships during shrimp sauce fermentation and provide a theoretical basis for improving the fermentation process of shrimp sauce.

Understanding changes in volatile compounds and fatty acids of Jincheng orange peel oil at different growth stages using GC-MS

Jincheng orange(Citrus sinensis Osbeck)is widely grown in Chongqing,China,and is commonly consumed because of its characteristic aroma contributed by the presence of diverse volatile compounds.The changes in aroma during the development and maturation of fruit are indicators for ripening and harvest time.However,the influence of growth stages on the volatile compounds in Jincheng orange remains unclear.In addition,volatiles originate from fatty acids,most of which are the precursors of volatile substances.On this basis,gas chromatography-mass spectrometry(GC-MS)was performed to elaborate the changes in volatile constituents and fatty acids as precursors.This study tested proximately 60 volatiles and 8 fatty acids at 9 growth and development stages(AF1-AF9).Of those compounds,more than 92.00%of total volatiles and 87.50%of fatty acids were terpenoid and saturated fatty acids,respectively.As shown in the PCA plot,the AF5,AF6,and AF9 stages were confirmed as completely segregated and appeared different.In addition,most of the volatiles and fatty acids first increased at the beginning of the development stage,then decreased from the AF6 development stage,and finally increased at the AF9 maturity stage.Moreover,the highest contents of terpenoid,alcohols,aldehydes,ketones,and saturated fatty acids in Jincheng orange peel oil were d-limonene,linalool,octanal,cyclohexanone,and stearic acid during development stages,respectively.Our results found that the growth stages significantly affected the volatile constituents and precursors in Jincheng orange peel oil.

Comprehensive lipidomics and volatile compounds profiling reveals correlation of lipids and flavors in DHA-enriched egg yolk

DHA-enriched eggs have gained popularity due to their unique nutritional value,but their flavor can be challenging for some consumers to accept.The study analyzed the correlation of lipids and flavors in DHA-enriched egg yolks using comprehensive lipidomics and volatile compound analysis.The results showed that 411 lipids were detected in two egg yolk samples.Among them,148 lipid species,including 48 DHA-containing lipids,were significantly higher in DHA-enriched egg yolks than in Common ones(P<0.05).Furthermore,of the 24 volatile compounds detected,the contents of benzaldehyde,heptanal,hexanal,decanal and 2-nonanone in DHA-enriched egg yolks were significantly higher than in Common egg yolks(P<0.05).The“fishy”smell characteristic of DHAenriched egg yolks was mainly caused by volatile aldehydes,which may be produced through the hydrolysis of lipids in the egg yolk to free fatty acids and further oxidation.Analysis of the correlation network diagram revealed that phospholipids containing docosahexaenoic acid(DHA),linoleic acid,or oleic acid chains were the main contributors to the characteristic flavor of DHA-enriched egg yolks.Overall,this study explored the effect of different lipids on the flavor of DHA-enriched egg yolks and provided a theoretical basis for the production and improvement of DHA-enriched eggs.

Effective technology for processing industrial volatile organic compounds by the atmospheric pressure microwave plasma torch

In this study,we investigated the abatement of volatile organic compounds(VOCs)by the atmospheric pressure microwave plasma torch(AMPT).To study the treatment efficiency of AMPT,we used the toluene and water-based varnish to simulate VOCs,respectively.By measuring the compounds and contents of the mixture gas before/after the microwave plasma process,we have calculated the treatment efficiency of AMPT.The experimental results show that the treatment efficiency of AMPT for toluene with a concentration of 17.32×10^(4) ppm is up to 60 g/kWh with the removal rate of 86%.For the volatile compounds of water-based varnish,the removal efficiency is up to 97.99%.We have demonstrated the higher potential for VOCs removal of the AMPT process.

Volatile Compounds Fingerprints for White Duck down and White Goose down Determined by Gas Chromatography-Ion Mobility Spectrometry

This work first describes a simple approach for the untargeted profiling of volatile compounds for distinguishing between white duck down (WDD) and white goose down (WGD) based on resolution-optimized GC-IMS combined with optimized chemometric techniques, namely PCA. The detection method for down samples was established by using GC-IMS. Meanwhile, the reason of unpleasant odors caused by WDD was explained on the basis of the characteristic volatile compounds identification. GC-IMS fingerprinting can be considered a revolutionary approach for a truly fully automatable, cost-efficient, and in particular highly sensitive method. A total of 22 compounds were successfully separated and identified through GC-IMS method, and the significant differences in volatile compounds were observed in three parts of WDD and WGD samples. The most characteristic volatile compounds of WGD belong to aldehydes, whereas carboxylic acids from WDD were detected generated by autoxidation reaction. Meanwhile, the main reason of unpleasant odor generation was possibly attributed to the high concentration of volatile carboxylic acids of WDD. Therefore, the constructed model presents a simple and efficient method of analysis and serves as a basis for down processing and quality control.

Role of methoxy and C_(α)-based substituents in electrochemical oxidation mechanisms and bond cleavage selectivity of β-O-4 lignin model compounds

In order to better understand the specific substituent effects on the electrochemical oxidation process of β-O-4 bond, a series of methoxyphenyl type β-O-4 dimer model compounds with different localized methoxyl groups, including 2-(2-methoxyphenoxy)-1-phenylethanone, 2-(2-methoxyphenoxy)-1-phenylethanol, 2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)ethanone, 2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)ethanol, 2-(2,6-dimethoxyphenoxy)-1-(4-methoxyphenyl)ethanone, 2-(2,6-dimethoxyphenoxy)-1-(4-methoxyphenyl)ethanol have been selected and their electrochemical properties have been studied experimentally by cyclic voltammetry, and FT-IR spectroelectrochemistry. Combining with electrolysis products distribution analysis and density functional theory calculations, oxidation mechanisms of all six model dimers have been explored. In particular, a total effect from substituents of both para-methoxy(on the aryl ring closing to Cα) and Cα-OH on the oxidation mechanisms has been clearly observed, showing a significant selectivity on the Cα-Cβbond cleavage induced by electrochemical oxidations.

Advanced Technologies for Volatile Organic Compound (VOC) Emission Treatment: An Overview

This paper presents a comprehensive overview of various advanced technologies employed in the treatment of volatile organic compounds(VOCs),which are crucial pollutants in industrial emissions.The study explores different methods,including direct combustion,thermal combustion,catalytic combustion,low-temperature plasma purification,photocatalytic purification,membrane separation,and adsorption methods.Each technology is critically analyzed for its operational principles,efficiency,and applicability under different conditions.Special attention is given to adsorption concentration and catalytic combustion parallel method,highlighting its efficiency in treating low-concentration,high-volume VOC emissions.The paper also delves into the advantages and limitations of each method,providing insights into their effectiveness in various industrial scenarios.The study aims to offer a detailed guide for selecting appropriate VOC treatment technologies,contributing to enhanced environmental protection and sustainable industrial practices.

Comparative analysis of volatile compounds in different muskmelon cultivars in Xinjiang based on HS-SPME-GC-MS and transcriptomics

Volatile flavor has prompted a great amount of influence in acceptance and view points in fruit products.Melon(Pyrus communis)is an aromadense fruit,thus,the evaluation of volatile flavor is crucial to melon-breeding.The volatile compounds present in nine varieties of Xinjiang muskmelons were identified and analyzed using the headspace solid-phase microextraction and gas chromatography-mass spectrometry methods.In addition,transcriptomics were used to discover the differential genes in fatty acid degradation pathways.It was found that a total of 170 volatile substances,including 52 alcohols,41 esters,24 aldehydes,32 ketones,14 acids and seven phenols,were identified in the nine melons.Results of PCA showed that 3-nonanol,2-nonanol,bis(2-ethylhexyl)adipate,and 2-methylpropanal contributed more to the flavor of melon.It was verified that high activities of acyl-coenzyme A cholesterol acyltransferase(AAT)promoted the conversion of alcohols to esters,so that the melons have a high content of esters.Four genes of long-chain acyl-CoA synthetase were mainly responsible for the large difference in volatile substances.This practice may further undermine the primary rationale for the breeding and promotion in different cultivars of muskmelon.

Assessment of electrostatic discharge sensitivity of nitrogen-rich heterocyclic energetic compounds and their salts as high energy-density dangerous compounds:A study of structural variables

Nitrogen-rich heterocyclic energetic compounds(NRHECs)and their salts have witnessed widespread synthesis in recent years.The substantial energy-density content within these compounds can lead to potentially dangerous explosive reactions when subjected to external stimuli such as electrical discharge.Therefore,developing a reliable model for predicting their electrostatic discharge sensitivity(ESD)becomes imperative.This study proposes a novel and straightforward model based on the presence of specific groups(-NH_(2) or-NH-,-N=N^(+)-O^(-)and-NNO_(2),-ONO_(2) or-NO_(2))under certain conditions to assess the ESD of NRHECs and their salts,employing interpretable structural parameters.Utilizing a comprehensive dataset comprising 54 ESD measurements of NRHECs and their salts,divided into 49/5 training/test sets,the model achieves promising results.The Root Mean Square Error(RMSE),Mean Absolute Error(MAE),and Maximum Error for the training set are reported as 0.16 J,0.12 J,and 0.5 J,respectively.Notably,the ratios RMSE(training)/RMSE(test),MAE(training)/MAE(test),and Max Error(training)/Max Error(test)are all greater than 1.0,indicating the robust predictive capabilities of the model.The presented model demonstrates its efficacy in providing a reliable assessment of ESD for the targeted NRHECs and their salts,without the need for intricate computer codes or expert involvement.

Organic Compounds Possessing the Plastic Crystalline Phase: Calculation of Their Fusion Enthalpies

For the first time, for different organic and inorganic compounds possessing the plastic crystalline phase, a new semiempirical equation describing dependence of their fusion enthalpies on such physico-chemical quantities as normal melting temperature, surface tension, molar volume and critical molar volume is received on the base of the principle of corresponding states and the energy equipartition theorem. Moreover, the proposed equation allows one to take into account the particularities of one-particle molecular rotation in the plastic crystalline phase.