Real-time Analysis of Organic Composition of Oral and Nasal Breath Air by High Resolution Mass Spectrometry / 分析化学

Human exhaled breath has great application prospects,e.g.,monitoring pharmacokinetics,disease diagnosis,due to its advantages such as non-invasive and high-frequency sampling.Breath samples can be collected from the oral and nasal cavity.However,the oral and nasal environment affect the chemical composition of breath sample.Therefore,the investigation on the chemical composition of mouth-exhaled breath and nose-exhaled breath is crucial for selection of appropriate sampling strategy for individual studies.In this work,secondary electrospray ionization-high resolution mass spectrometry(SESI-HRMS)was applied to analysis of respiratory metabolomics in real time.A quantitative analysis approach was established for 9 kinds of volatile organic compounds(VOCs)e.g.2-butanone,2-pentanone,ethyl acetate,methyl methacrylate,toluene,styrene,mesitylene,isoprene and limonene.The limit of detection was 2.3?240.8 ng/m3.The intra-day(n=6)and inter-day(n=18)relative standard deviations were 0.6%?4.6%and 4.3%?12.2%,respectively.Nine healthy subjects were recruited to investigate the chemical composition of mouth-exhaled and nose-exhaled breath.The results showed the good performance in quantitative analysis of 9 VOCs in breath air.It was found that the number of unique component(m/z)detected in mouth-exhaled breath(167)was 2.2 times greater than that detected in nose-exhaled breath(76),which might result from the complex environment in oral cavity.The signal intensity of commun component(163)was significantly different between mouth-exhaled breath and nose-exhaled breath.Additionally,the elemental composition analysis showed that the proportion of polar compounds detected in nose-exhaled breath was higher than that in mouth-exhaled breath.This study demonstrated that there was significant differences in the chemical composition between mouth-exhaled and nose-exhaled breath,which provided a theoretical basis for selection of exhalation mode.

Identification and diagnostic value of characteristic volatile organic compounds in exhaled breath of mice with early stage radiation injury / 军事医学

Objective To investigate the characteristic volatile organic compounds(VOCs)in exhaled breath and their diagnostic value in mice with early stage radiation injury.Methods The thermal desorption gas chromatography-mass spectrometry(TD-GC/MS)technique was used to analyze VOCs in exhaled breath of irradiated mice by 60Coγ-ray with 800 cGy.The characteristic VOCs in the early stage of radiation injury were identified,and a diagnostic model was established.Results The 30-day survival rate of mice was 4.2%.There were significant differences in characteristic VOCs at 7 hours after radiation injury,and thirty characteristic VOCs related to early-stage radiation injury were identified.The diagnostic value of differential metabolites in mice after irradiation was evaluated via the ROC curve,and the area under the ROC curve(AUC)of a single compound exceeded 0.8.The diagnostic model was constructed by screening 9 potential biomarkers of exhalation through Fisher discriminant analysis,and its sensitivity and specificity were close to 100%.Conclusion Analysis of VOCs in exhaled breath is expected to provide a non-invasive diagnostic method for early screening and diagnosis of radiation injury.

Protective effects of taurine on learning and memory impairment after exposure to formaldehyde and benzene analogues in young rats / 环境与职业医学

Background Formaldehyde and benzene homologues are common environmental pollutants, and their neurotoxicity has aroused widespread concern. Objective To investigate the effect of taurine on cognitive impairment after exposure to formaldehyde and benzene analogues in young rats. Methods Twenty four-week old SD rats were randomly divided into four groups, with six rats in each group: control group (clean air), model group (5 mg·m−3 formaldehyde + 5 mg·m−3 benzene + 10 mg·m−3 toluene + 10 mg·m−3 xylene), low-dose taurine intervention group (5 g·L−1 taurine + mixture of formaldehyde and benzene analogues), and high-dose taurine intervention group (10 g·L−1 taurine + formaldehyde and mixture of benzene analogues), and the exposure was administered by oral and nasal aerosol inhalation for 28 d. At the end of exposure, the learning and memory ability of rats in each group was measured by Morris water maze test. After the behavioral test, the rats were anesthetized and neutralized, and the brain tissue was harvested for histopathological and molecular biological tests. The apoptosis rate of neurons in hippocampal CA1 area was detected by Tunel assay, and the expression levels of apoptosis-related proteins such as caspase 3, bax, and bcl-2 in hippocampal tissue were detected by Western blotting. Results The growth and development of rats in each group were good during inhalation. During the Morris water maze experiment, the escape latencies of rats in the taurine intervention groups were not different from that in the control group (P>0.05) from day 3 to day 5 of training, while the escape latency of rats in the model group was significantly higher than that in the control group (P <0.05). The number of crossing platform and the target quadrant residence time in the high-dose taurine intervention group were not different from those in the control group (P>0.05), while the two variables in the model group and low-dose taurine intervention group were significantly lower than those in the control group (P <0.05). The apoptotic rates of neurons in the hippocampal CA1 area of rats in the control group, model group, and low-dose and high-dose taurine intervention groups were 5.11%, 18.87%, 9.39%, and 4.63%, respectively. The apoptotic rate in the model group was higher than those in the control group and low-dose and high-dose taurine intervention groups (P<0.05). The expression levels of caspase 3, bax, and bcl-2 in the hippocampus of rats in the low-dose and high-dose taurine intervention groups showed no difference compared with the control group (P>0.05). The expression levels of caspase 3 and bax in the model group were higher than those in the control group and low-dose or high-dose taurine intervention groups (P<0.05), and the expression levels of bcl-2 was lower (P<0.05). Conclusion The mixed exposure to formaldehyde and benzene analogues can damage the learning and memory ability of young rats, and increase the apoptosis of neurons in hippocampal CA1 region. Taurine can reverse the damage induced by formaldehyde and benzene analogues.

Associations between indoor volatile organic compounds and nocturnal heart rate variability of young female adults: A panel study / 北京大学学报(医学版)

OBJECTIVE@#To investigate the association between short-term exposure to indoor total volatile organic compounds (TVOC) and nocturnal heart rate variability (HRV) among young female adults.@*METHODS@#This panel study recruited 50 young females from one university in Beijing, China from December 2021 to April 2022. All the participants underwent two sequential visits. During each visit, real time indoor TVOC concentration was monitored using an indoor air quality detector. The real time levels of indoor temperature, relative humidity, noise, carbon dioxide and fine particulate matter were monitored using a temperature and humidity meter, a noise meter, a carbon dioxide meter and a particulate counter, respectively. HRV parameters were measured using a 12-lead Holter. Mixed-effects models were used to evaluate the association between the TVOC and HRV parameters and establish the exposure-response relationships, and two-pollutant models were applied to examine the robustness of the results.@*RESULTS@#The mean age of the 50 female subjects was (22.5±2.3) years, and the mean body mass index was (20.4±1.9) kg/m2. During this study, the median (interquartile range) of indoor TVOC concentrations was 0.069 (0.046) mg/m3, the median (interquartile range) of indoor temperature, relative humidity, carbon dioxide concentration, noise level and fine particulate matter concentration were 24.3 (2.7) ℃, 38.5% (15.0%), 0.1% (0.1%), 52.7 (5.8) dB(A) and 10.3 (21.5) μg/m3, respectively. Short-term exposure to indoor TVOC was associated with significant changes in time-domain and frequency-domain HRV parameters, and the exposure metric for most HRV parameters with the most significant changes was 1 h-moving average. Along with a 0.01 mg/m3 increment in 1 h-moving average concentration of indoor TVOC, this study observed decreases of 1.89% (95%CI: -2.28%, -1.50%) in standard deviation of all normal to normal intervals (SDNN), 1.92% (95%CI: -2.32%, -1.51%) in standard deviation of average normal to normal intervals (SDANN), 0.64% (95%CI: -1.13%, -0.14%) in percentage of adjacent NN intervals differing by more than 50 ms (pNN50), 3.52% (95%CI: -4.30%, -2.74%) in total power (TP), 5.01% (95%CI: -6.21%, -3.79%) in very low frequency (VLF) power, and 4.36% (95%CI: -5.16%, -3.55%) in low frequency (LF) power. The exposure-response curves showed that indoor TVOC was negatively correlated with SDNN, SDANN, TP, and VLF when the concentration exceeded 0.1 mg/m3. The two-pollutant models indicated that the results were generally robust after controlling indoor noise and fine particulate matter.@*CONCLUSION@#Short-term exposure to indoor TVOC was associated with significant negative changes in nocturnal HRV of young women. This study provides an important scientific basis for relevant prevention and control measures.

Ventilador mecânico invasivo de emergência resistente e de fácil manutenção / Robust, maintainable, emergency invasive mechanical ventilator

RESUMO Objetivo: Desenvolver um ventilador mecânico invasivo simples, resistente, seguro e eficiente que possa ser utilizado em áreas remotas do mundo ou zonas de guerra, em que a utilidade prática de equipamentos mais sofisticados é limitada por questões de manutenção, disponibilidade de peças, transporte e/ou custo. Métodos: O dispositivo implementa o modo de ventilação mandatória contínua com pressão controlada, complementado por um simples modo assisto-controlado. Pode-se também utilizar a pressão positiva contínua nas vias aéreas. Ao se evitar o fluxo contínuo de oxigênio ou ar, minimiza-se o consumo de gases comprimidos. As taxas respiratórias e as relações de tempo de inspiração e expiração são determinadas eletronicamente. Além disso, conta com um alarme de apneia/falta de energia. Resultados: Os perfis de pressão foram medidos para uma série de condições, sendo considerados ajustáveis dentro de uma margem de erro de ± 2,5cmH2O, e foram considerados bem estáveis dentro dessa variação durante um período de 41 horas. Os parâmetros de tempo do ciclo respiratório foram precisos dentro de alguns pontos percentuais durante o mesmo período. O dispositivo foi testado quanto à durabilidade por um período equivalente a 4 meses. Os testes químicos e biológicos não conseguiram identificar qualquer contaminação do gás por compostos orgânicos voláteis ou micro-organismos. Em comparação com um ventilador bem estabelecido, o teste de ventilação em um animal de grande porte mostrou que este poderia ser ventilado adequadamente durante um período de 60 minutos, sem quaisquer efeitos negativos perceptíveis durante o período subsequente de 24 horas. Conclusão: Este projeto de ventilador pode ser viável após novos testes em animais e aprovação formal pelas autoridades competentes, para aplicação clínica nas circunstâncias atípicas anteriormente mencionadas.

ABSTRACT Objective: To develop a simple, robust, safe and efficient invasive mechanical ventilator that can be used in remote areas of the world or war zones where the practical utility of more sophisticated equipment is limited by considerations of maintainability, availability of parts, transportation and/or cost. Methods: The device implements the pressure-controlled continuous mandatory ventilation mode, complemented by a simple assist-control mode. Continuous positive airway pressure is also possible. The consumption of compressed gases is minimized by avoiding a continuous flow of oxygen or air. Respiratory rates and inspiration/expiration time ratios are electronically determined, and an apnea/power loss alarm is provided. Results: The pressure profiles were measured for a range of conditions and found to be adjustable within a ± 2.5cmH2O error margin and stable well within this range over a 41-hour period. Respiratory cycle timing parameters were precise within a few percentage points over the same period. The device was tested for durability for an equivalent period of four months. Chemical and biological tests failed to identify any contamination of the gas by volatile organic compounds or microorganisms. A ventilation test on a large animal, in comparison with a well established ventilator, showed that the animal could be adequately ventilated over a period of 60 minutes, without any noticeable negative aftereffects during the subsequent 24-hour period. Conclusion: This ventilator design may be viable, after further animal tests and formal approval by the competent authorities, for clinical application in the abovementioned atypical circumstances.

Detection of volatile organic compounds in diagnosis of Pseudomonas aeruginosa infection in respiratory diseases / 中华临床感染病杂志

Pseudomonas aeruginosa is a common pathogen of respiratory infections. The conventional diagnostic methods for Pseudomonas aeruginosa have certain weakness, for example, sputum culture is time-consuming and of low sensitivity; and polymerase chain reaction cannot be popularized clinically due to its high cost. Meanwhile, detection of volatile organic compounds is a sensitive, rapid, portable and inexpensive diagnostic method. This review focuses on the detection of volatile organic compounds in the diagnosis of Pseudomonas aeruginosa respiratory infection, discusses the existing problems, and puts forward relevant suggestions to provide reference for clinical application and future researches.

Ocular surface flora in obese patients before and after dietary intervention / 中华内分泌代谢杂志

Objective:To investigate the changes of ocular surface microbiota in obese patients before and after dietary intervention.Methods:From November 1, 2020 to May 1, 2021, 35 obese patients in the obesity management center of the Department of Endocrinology and Metabolic Diseases of Henan Provincial People′s Hospital were selected for a 4-week low-calorie dietary intervention of 1 600-1 800 kcal/day. The body weight, body mass index(BMI), body composition(body fat, body fat percentage, visceral fat grade, total body water, and skeletal muscle) were observed before and after dietary intervention. The characteristics of ocular surface flora in obese patients before and after intervention were analyzed by 16S rRNA sequencing.Results:The body weight, BMI, body fat, percentage of body fat, visceral fat grade and total body water decreased significantly after 4 weeks( P<0.05), while there was no significant difference in skeletal muscle( P>0.05). There was no significant difference of ocular surface flora α and β in diversity( P>0.05). Opportunistic pathogens Pseudomonas and Cutibacterium decreased significantly, while Faecalibacterium, Lachnospiraceae NK4A136 group, Oscillospiraceae UCG 002, and Blautia, which producing short chain fatty acids, increased significantly( P<0.05). Functional prediction analysis showed that the metabolic pathways such as degradation related pathways and insulin signaling pathways of volatile organic compounds(VOCs) were significantly enriched. Conclusion:After dietary intervention, opportunistic pathogenic bacteria decreased and short chain fatty acid producing bacteria increased in obese patients. The altered ocular surface flora may be related to the degradation of VOCs and the improvement of insulin sensitivity.

Pollution characteristics of total volatile organic compounds in indoor air of urban residential buildings in China / 环境与职业医学

Total volatile organic compounds (TVOCs) are the main indoor pollutants. Long-term exposure to excessive TVOCs will cause acute and chronic adverse health effects. In order to understand current indoor TVOCs pollution in urban residential buildings in China, we searched related literature of indoor TVOCs in urban residential buildings published in CNKI, Wanfang, VIP, Web of Science, and PubMed from 2000 to 2021, and analyzed the pollution characteristics and main sources of indoor TVOCs in urban residential buildings in China. The results showed that the average TVOCs concentration range in urban residential buildings in China was 0.18-1.45 mg·m−3, which was widely distributed and exceeded the relevant national standard. The concentrations of TVOCs in bedrooms, study rooms, and kitchens were relatively high among different rooms. Indoor sources such as decoration materials and human activities after moving in were the main sources of TVOCs, and the concentration of TVOCs decreased the most in 4-6 months after the completion of decoration. However, extending the vacancy time after the completion of decoration is not the best method to effectively remove indoor TVOCs, especially for the areas where indoor air pollutants severely exceeding the national limit, it is necessary to control pollution sources to reduce indoor TVOCs concentration. For the study of indoor air TVOCs, future study directions could be the ratio of indoor and outdoor TVOCs concentration and the analysis of indoor human activities and other pollution sources.

Advances in application of volatile organic compounds in the rapid detection of clostridium difficile infection / 国际儿科学杂志

Clostridium difficile infection(CDI)is a global public health issue and one of the most common pathogenic infections in the community and hospitals, causing varying degrees of diarrhea and pseudomembranous colitis.The current CDI diagnosis is based on the detection of clostridium difficile(CD)associated toxins or toxin encoding genes in patients′ stool, but these traditional microbiological techniques have limitations that may delay disease diagnosis.In clinical and research, CD has a distinct odor "horse barn odor" , which is caused by the volatile organic compounds(VOCs). VOCs in human breath, blood, urine and feces have recently received increased attention as potential noninvasive diagnostic biomarkers for a wide range of diseases, including infectious diseases and digestive tract disorders.It was discovered that VOCs from CD, with their potential characteristic VOCs, contributed to the rapid diagnosis of CDI.In this paper, we review VOCs and their application in the rapid detection of CDI.

Research progress in in vitro detection of urinary volatile organic compounds for early cancer diagnosis / 国际生物医学工程杂志

With the further increase of the global cancer burden, various cancers are increasingly challenging human health status and quality of life. Thus, early screening of cancer is crucial. Urinary volatile organic compounds (VOCs) detection techniques have the advantages of easy access to samples, high acceptance of patients, non-invasive, and so on, which have been favored and concerned by researchers. In this paper, existing techniques and methods for cancer diagnosis based on urine VOCs were described, relevant studies on the use of urine VOCs for cancer diagnosis were reviewed, and the barriers and future perspectives of the technique were discussed. This paper can be a reference for researchers working in the direction of urinary VOCs detection, a multidisciplinary field that spans medicine and materials science.

Analysis of volatile organic compounds in urine of diabetic patients comorbid with depression / 药学实践与服务

Objective To compare the difference of volatile organic compounds (VOCs) in the urine of diabetic patients comorbid with or without depression. Methods Patients with type 2 diabetes who met the diagnostic criteria of prevention and treatment guidelines and were treated in inpatient department of Sixth People’s Hospital South Campus, Shanghai Jiaotong University, from November 2019 to November 2020 were included in the study. Depression screening was performed using PHQ9 scale. According to the scores, the patients were divided into two groups: diabetic patient group and diabetic patient comorbidity depression group. The morning urine was collected and VOCs in urine were detected using a miniature gas tester. Results A total of 161 patients with diabetes mellitus, including 141 patients in the diabetic group and 20 patients in the diabetic comorbidity depression group. The results indicated that the sensitivity, specificity and accuracy of the method are 80%, 98% and 92.8% respectively. There were differences in urine volatile organic compounds between the two groups. Conclusions Compared with diabetic patients, the composition of volatile organic compounds in urine may change after diabetic comorbidity depression, which can provide experimental reference for early clinical diagnosis of depression.

Regional reference values for spirometric parameters in young people from La Plata, Buenos Aires, Argentina / Valores de referencia regionales para parámetros espirométricos en jóvenes de la plata, provincia de buenos aires, argentina

RESUMEN INTRODUCCIÓN : En los estudios espirométricos se recomienda que cada población cuente con sus propios valores de referencia debido a condiciones regionales y a características de tipo étnico, etario, social, geográfico y climático. Estudios previos muestran elevados niveles de material particulado, hidrocarburos policíclicos y compuestos volátiles en el aire de La Plata y alrededores, con correlación entre exposición crónica a contaminantes y efectos adversos sobre desarrollo y función pulmonar. El objetivo fue establecer valores de referencia regionales para parámetros espirométricos en jóvenes de La Plata, siguiendo las recomendaciones de la American ThoracicSocíety (ATS) y la European Respíratory Socíety (ERS). MÉTODOS : Estudio transversal, observacional y descriptivo. Se realizaron y analizaron 171 espirometrías a jóvenes sanos de 13-17 años. Se llevaron a cabo medidas de correlación, identificando las variables predictoras. Para las ecuaciones de predicción se ajustaron modelos de regresión en función del sexo. RESULTADOS : La mayor correlación se encontró con talla y peso. Se desarrollaron ecuaciones para capacidad vital forzada (FVC) y volumen espiratorio forzado en el primer segundo (FEV1) según género. DISCUSIÓN : El cálculo de nuevos parámetros con valores menores a los propuestos por un estudio en Barcelona y adaptados por la Sociedad Española de Neumología y Cirugía Torácica (SEPAR) confirmó la importancia de contar con valores de referencia regionales.

ABSTRACT INTRODUCTION : It is recommended that in spirometric studies each population have its own reference valúes due to regional conditions as well as ethnic, age, social, geographical and climatic characteristics. Previous studies show high levels of particulate matter, polycyclic hydrocarbons and volatile compounds in the air of La Plata city and surroundings, with correlation between chronic exposure to pollutants and adverse effects on lung development and function. The objective was to establish regional reference values for spirometric parameters in adolescents of La Plata, following the recommendations of the American Thoracic Society (ATS) and European Respiratory Society (ERS). METHODS : A cross-sectional, observational and descriptive study was carried out, performing and analyzing 171 spirometries in healthy young people between 13 and 17 years of age. Correlation measures were carried out to identify the predictive variables of spirometry. For the prediction equations, regression models were adjusted according to gender. RESULTS : The highest correlation was found with height and weight. Equations were developed for forced vital capacity (FVC) and forced expiratory volume in the first second (FEV1) for each gender. DISCUSSION : The calculation of newparameters, with values lower than those proposed by a study in Barcelona and adapted by the Spanish Society of Pneumology and Thoracic Surgery (SEPAR), confirmed the importance of having regional reference values.

Compostos voláteis associados ao risco carcinogênico e não carcinogênico / Volatile compounds associated with carcinogenic and non-carcinogenic risk

RESUMO O presente trabalho consiste na avaliação da existência de risco e sua quantificação em casos de vazamentos de derivados do petróleo em uma refinaria localizada na Região Sudeste do Brasil. A área apresenta solo subsuperficial e água subterrânea contaminados por hidrocarbonetos de petróleo e outras substâncias em consequência do funcionamento de uma refinaria. Foram consideradas as vias de exposição por inalação aos contaminantes presentes nesses dois meios. A quantificação do risco de câncer e do quociente de perigo foi realizada para cada substância química, permitindo verificar que, para a exposição a água subterrânea contaminada, não houve efeito carcinogênico e não carcinogênico para os compostos analisados por meio da via de inalação. Já para a exposição a solo subsuperficial contaminado, verificou-se que todos os elementos detectados apresentaram riscos carcinogênicos para ambas as condições analisadas (ambiente aberto e fechado) e ambos os receptores (trabalhadores e comercial). Os elementos benzeno, tolueno, etilbenzeno, o-xileno e m-xileno apresentaram risco não carcinogênico para ambientes fechados em solo subsuperficial contaminado. Em ambientes abertos, somente o xileno,m- não apresentou risco não carcinogênico. Para receptores trabalhadores, somente o benzeno apresentou risco não carcinogênico. Destaca-se a grande importância do gerenciamento de risco para posterior recuperação dessa área afetada.

Abstract The present study was an assessment and risk quantification of derivatives from oil spill at a refinery located in the Southeast of Brazil. The area presents subsurface soil and groundwater contaminated by petroleum hydrocarbons and other substances from the refinery. Inhalation exposure routes have been evaluated due to the presence of contaminants in the affected area. Risk quantification and hazard ratio were performed for each chemical substance, allowing to verify that, for exposure from contaminated groundwater, there was no carcinogenic and non-carcinogenic effect considering the inhalation route. As for exposure to contaminated subsurface soil, all the elements were detected as having the carcinogenic risk for both analyzed conditions (open and closed environments), and both receptors (worker and commercial). The elements Benzene, Toluene, Ethylbenzene, o-Xylene, and m-Xylene, have presented a non-carcinogenic risk for closed environments from contaminated subsurface soil. In open environments, only m-Xylene did not present non-carcinogenic risk. For the workers receptors, only Benzene has presented a non-carcinogenic risk. It might be highlighted the importance of risk management for the subsequent recovery of this affected area.

Analysis of Volatile Organic Compounds in Rhizosphere Soil of Rehmannia glutinosa Under Intercropping Zea mays Based on GC-MS Metabonomics / 中国实验方剂学杂志

Objective:To explore the composition characteristics of rhizosphere soil under <italic>Rehmannia glutinosa-Zea mays</italic> intercropping model，and screen out special signal substances in rhizosphere soil of <italic>R. glutinosa</italic> under intercropping <italic>Z. mays</italic>， so as to provide the basis for the study of allelopathic substances in continuous cropping obstacle of <italic>R. glutinosa</italic>. Method:In this experiment，rhizosphere soils of <italic>R. glutinosa</italic> under <italic>Z. mays </italic>intercropping and <italic>R. glutinosa </italic>single cropping models in July，August，September and October were taken as the research objects， and the volatile organic compounds in ethyl acetate fraction were analyzed by gas chromatography-mass spectrometry （GC-MS）. Principal component analysis （PCA）， hierachical cluster analysis （HCA） and orthogonal partial least squares discriminant analysis （OPLS-DA） analysis were performed on the data by SIMCA 14.1 to screen out potential differences in volatile organic compounds between the two models. Result:The types of volatile organic compounds in intercropping and single cropping models were mainly hydrocarbons， alcohols， esters， ketones， amides， acids and other substances. Specifically， the average relative contents of hydrocarbons，esters and amides in intercropping model were 58.46%，32.15% and 5.42% respectively，while the relative contents of hydrocarbons，esters and amides in single cropping model were 37.27%，36.11% and 21.13%. The results of PCA and HCA showed that the characteristics of volatile organic compounds in the ethyl acetate fraction of rhizosphere soil under intercropping and single cropping models could be clearly divided into two categories，the screening results of potential differential components based on OPLS-DA analysis indicated that various components， such as dibutyl phthalate，（<italic>Z</italic>）-9-oleamide，<italic>β</italic>-caryophyllene，dioctyl iso-phthalate， phthalate （2-propylamyl） diester， <italic>n</italic>-hexadecane，octodecane， <italic>n</italic>-heneicosane， were screened from rhizosphere soil under the two models. Conclusion:The <italic>R. glutinosa-Z. mays</italic> intercropping model has certain effects on the volatile organic compounds in the rhizosphere soil of <italic>R. glutinosa</italic>，and the effect of the selected components on the growth and quality characteristics of <italic>R. glutinosa</italic> still need to be further studied.

Advances on Collection and Analysis of Volatile Organic Compounds in the Diagnosis of Lung Cancer / 中国肺癌杂志

Lung cancer is a leading cause of cancer-related morbidity and mortality globally, which is the biggest menace to the health and life of the population. Screening and early detection of lung cancer are effective in reducing its mortality, and the measurement of volatile organic compounds (VOCs) has become a promising clinical means for early detection, course detection and prognosis management of lung cancer, with advantages of rapid speed, non-invasiveness and convenience. Now, a variety of VOCs collection ways and analysis methods have emerged at home and abroad. This report summarized three aspects, including VOCs collection, multiple methods of analysis and progress in the diagnosis and treatment of lung cancer. At last, we discussed the limitations and prospects of VOCs analysis.
.

Molecular Mechanism of Selective Binding of Pharmacodynamic Active BVOCs Substance Group with Bovine β-Lactoglobulin / 中国生物化学与分子生物学报

Headspace-solid phase microextraction/gas chromatography-mass spectrometry (HS-SPME/GC-MS) were used to analyze the interaction between the β-lactoglobulin (β-LG) and the botany volatile organic compounds (BVOCs) from pomelo peel to screen out the pharmacodynamic active BVOCs substance group. The selective binding effect between β-LG and BVOCs was analyzed by quantitative recovery of BVOCs, and the binding parameters were calculated. Then, the molecular model of BVOCs binding with β-LG was established by molecular docking and spectroscopic method, and the molecular mechanism of interaction between pharmacodynamic active BVOCs and β-LG was discussed from the perspective of omics. The results showed that dipentene (Dt), linalylacetate (La) and nootkatone (Nt) of BVOCs were selected by HS-SPME/GC-MS by the interaction of β-LG and BVOCs substance group. Parameter calculation showed that β-LG had the strongest affinity with Nt, but the binding force was not strong, and the affinity for La was the weakest. The affinity of β-LG to Dt was weak, but the binding force was the strongest, with a binding rate of 54. 66%, indicating that the selective binding strength of β-LG with the pharmacodynamic active BVOCs depended on the chemical structure of BVOCs molecules. The β-LG preferred to bind to the aldehyde and ketone BVOCs molecules containing carbonyl oxygen structure. The molecular model of β-LG and BVOCs group (Dt, La, Nt) was established to evaluate the binding position of BVOCs group (Dt, La, Nt) on β-LG. The loosening, extension and conformational change of β-LG secondary structure caused by the introduction of BVOCs are the result of van der Waals force, hydro-phobicity and hydrogen bonding. This study provides a new method for screening pharmacodynamic active BVOCs from the perspective of whole substance group of BVOCs, and provides a useful reference for investigating the binding mechanism between pharmacodynamic active BVOCs and functional protein molecules from the perspective of omics.

Assessment Of Lung Function Status Of Workers At A Transformer Manufacturing Plant In Selangor, Malaysia

@#Transformer manufacturing industry uses volatile organic compounds (VOCs) containing materials such as varnish which can cause adverse health effects to human. Exposure to a high level of VOCs could disrupt the normal functions of a human lung.Therefore, this study was conducted to evaluate the status of lung functions of the workers exposed to VOCs at a transformer manufacturing plant in Selangor. The volatile organic compounds (VOCs) concentration in the office and production area was measured using direct-reading method and 60 subjects were selected to undergo the lung function test. The FVC and FEV1 values showed significant difference (p<0.05) between the exposed group and the non-exposed group. The mean readings of FVC (69.07±12.58) and FEV₁ (72.90±10.46) of the exposed groups were lower than the non-exposed group, which were 81.47±9.78 and 84.23±9.07, respectively. In contrast to the FEV1/FVC parameters, the non-exposed group (102.93 ± 7.17) showed lower mean values than the exposed group (105.90±8.98). Besides that, the nasal symptoms showed significant differences (p<0.05) between the exposed and non-exposed group. The demographic data of the exposed group showed no association with the lung function status of the exposed group workers. However, the lung functions of the exposed group were influenced by the concentration of VOCs in the production area. High concentration of VOCs may cause detrimental effects on the lung functions. Therefore, management or employers in the industry should always be aware of the effects of VOCs, and take appropriate steps to ensure the safety and welfare of the employees.

Predictive value of volatile organic compounds in exhaled breath on pulmonary nodule in people aged less than 50 years / 中国胸心血管外科临床杂志

@#Objective    To investigate the predictive value of volatile organic compounds (VOCs) on pulmonary nodules in people aged less than 50 years. Methods    The 147 patients with pulmonary nodules and aged less than 50 years who were treated in the Department of Thoracic Surgery of Sichuan Cancer Hospital from August 1, 2019 to January 15, 2020 were divided into a lung cancer group and a lung benign disease group. The lung cancer group included 36 males and 68 females, with the age of 27-49 (43.54±5.73) years. The benign lung disease group included 23 males and 20 females, with the age of 22-49 (42.49±6.83) years. Clinical data and exhaled breath samples were collected prospectively from the two groups. Exhaled breath VOCs were analyzed by gas chromatography mass spectrometry. Binary logistic regression analysis was used to select variables and establish a prediction model. The sensitivity, specificity, and area under the receiver operating characteristic (ROC) curve of the prediction model were calculated. Results    There were statistically significant differences in sex (P=0.034), smoking history (P=0.047), cyclopentane (P=0.002), 3-methyl pentane (P=0.043) and ethylbenzene (P=0.009) between the two groups. The sensitivity, specificity and area under the ROC curve of the prediction model with gender, cyclopentane, 3-methyl pentane, ethylbenzene and N,N-dimethylformamide as variables were 80.8%, 60.5% and 0.781, respectively. Conclusion    The combination of VOCs and clinical characteristics has a certain predictive value for the benign and malignant pulmonary nodules in people aged less than 50 years.

Analysis of volatile organic compounds (VOCs) fingerprint of raw and honey-fried licorice based on headspace-gas-chromatography ion-mobility spectrometry (HS-GC-IMS) / 中国中药杂志

Licorice is one of the most commonly used traditional Chinese medicine. In clinic, raw licorice and honey-fried licorice are used in medicines, with the main effects in clearing away heat and detoxifying, moistening lungs and removing phlegm. Honey-fried licorice has effects in nourishing the spleen and stomach and replenishing Qi and pulse. Because traditional Chinese medicine exerts the effects through multiple components and multiple targets, the index components used in the quality evaluation of licorice are often difficult to reflect their real quality. In addition, most of studies for the quality standards have shown that honey-fried licorice are the same as licorice, with a lack of quality evaluation standards that can demonstrate their processing characteristics. The quality of medicine is directly related to its clinical efficacy, so it is necessary to establish a more effective quality control method. Licorice has a beany smell, which is one of the main quality identification characteristics. In this study, by taking advantage of the odor characteristics, a headspace-gas chromatography-ion migration mass spectrometry technology was used to establish a quality evaluation method. A total of 76 volatile components were identified. Through the dynamic principal component analysis, 7 kinds of volatile substances in raw licorice and 13 kinds of volatile substances in honey-fried licorice were statistically obtained, and could be taken as index components for the quality evaluation of raw and honey-fried licorice, respectively. This study could help realize the combination and unification of modern detection and traditional quality evaluation methods, and make a more realistic evaluation for the quality of licorice.

Assessment Of Volatile Organic Compound (Vocs) In Multi-Storey Shopping Mall In Malacca Malaysia

@#This study investigates the mall's Indoor Air Quality (IAQ) to compare changes in levels of Volatile Organic Compounds (VOCs) concentration in the morning and evening. It also explores the sources of emission released that could be related to occupants' health status (dizziness, headaches, flu, running nose, nose stuffy, nose irritation, eye irritation, watery eye, and eye reddening). A questionnaire survey approach was used to collect quantitative data involving 32 workers from malls in Malacca, Malaysia. This study established models to measure changes in VOCs level in two different sessions for a given area. Also, predictors related to the work context (human performance and condition) were found to be significantly related to occupants' symptoms. Two significant values identified the changes in VOCs concentration for morning and evening sessions in the lobby, bakery, eye ware shop, mobile centers, and supermarket. No evidence supports the exposure towards the personal individual in the present findings. This study contributes to the literature on levels of VOCs in the shopping mall as well as the emission sources. It also suggests that more comprehensive monitoring can be achieved, particularly in the context of Malaysia.