volatile organic compounds

挥发性有机化合物
  • 文章类型: Journal Article
    二手烟暴露是一种新兴的公共卫生问题,仍未得到充分研究。在这项研究中,收集了ENDS用户(二手)和非ENDS用户(基线)的唾液和呼出排放物,使用自动ENDS气溶胶生成系统生成第一手排放物,该系统被编程为模拟从ENDS用户收集的膨化地形轮廓。表征了颗粒浓度和大小以及挥发性有机化合物。我们揭示了膨化地形指标作为第一手和二手粒子和化学暴露的潜在介体,以及代谢和呼吸健康结果。颗粒沉积模型显示,虽然二手排放显示出较小的沉积质量,总和肺颗粒沉积分数高于第一手沉积水平,可能是由于较小的二手发射粒子直径。最后,由第一手ENDS暴露引起的肺损伤的唾液生物标志物的非靶向代谢组学分析揭示了呼吸窘迫的潜在早期指标,这些指标也可能与暴露于二手烟的旁观者相关.通过利用系统毒理学,我们鉴定出10种代谢物,包括白三烯D4,可能作为ENDS使用的生物标志物,暴露估计,和电子烟相关疾病的预测。这项研究强调了vaping行为的表征是促进我们对ENDS用户和旁观者潜在健康影响的理解的重要组成部分。
    Secondhand vaping exposure is an emerging public health concern that remains understudied. In this study, saliva and exhaled emissions from ENDS users (secondhand) and non-ENDS users (baseline) were collected, firsthand emissions were generated using an automated ENDS aerosol generation system programmed to simulate puffing topography profiles collected from ENDS users. Particulate concentrations and sizes along with volatile organic compounds were characterized. We revealed puffing topography metrics as potential mediators of firsthand and secondhand particle and chemical exposures, as well as metabolic and respiratory health outcomes. Particle deposition modeling revealed that while secondhand emissions displayed smaller deposited mass, total and pulmonary particle deposition fractions were higher than firsthand deposition levels, possibly due to smaller secondhand emission particle diameters. Lastly, untargeted metabolomic profiling of salivary biomarkers of lung injury due to firsthand ENDS exposures revealed potential early indicators of respiratory distress that may also be relevant in bystanders exposed to secondhand vaping scenarios. By leveraging system toxicology, we identified 10 metabolites, including leukotriene D4, that could potentially serve as biomarkers for ENDS use, exposure estimation, and the prediction of vaping-related disease. This study highlights characterization of vaping behavior is an important exposure component in advancing our understanding of potential health effects in ENDS users and bystanders.
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  • 文章类型: Journal Article
    异味是使用再循环水产养殖系统(RAS)的公司面临的主要挑战。在提交的作品中,我们全面表征了在RAS中饲养的尼罗罗非鱼(Oreochromisniloticus)的气味成分,并比较了两种净化过程对鱼类气味成分和香气特征的影响。研究了从生产罐收集的鱼以及在净化过程中两种不同的罐预消毒方法(高pH值与H2O2)之后的鱼。感官仪器联合调查显示存在115种气味,其中83人被成功识别。化合物癸醛,十三烷酸,(Z)-1,5-八丁-3-一,辛烷-2,3-二酮,二苯甲酮,non-3-yn-1-ol,γ-十二内酯,(Z)-香叶基丙酮,2,3-二乙基-5-甲基吡嗪,1-甲基吡咯烷-2-酮,2-乙酰基-2-噻唑啉,苯并噻唑,skatole,和5α-雄激素-16-en-3-酮被检测到具有最高的风味稀释因子,并首次被描述为RAS鱼中的气味活性化合物。结果表明,净化降低了鱼类中78种不同气味物质的含量,包括强烈的土质气味气味物质地质蛋白,异冰片和2,3-二乙基-5-甲基吡嗪。
    Off-flavors are a major challenge for companies using recirculated aquaculture systems (RAS). In the presented work, we comprehensively characterize the odorant composition of Nile tilapia (Oreochromis niloticus) raised in RAS and compare the impact of two depuration processes on the odorant composition and aroma profile of the fish. Fish collected from the production tank and after two different tank pre-disinfection approaches in the depuration process (high pH versus H2O2) were investigated. A combined sensory-instrumental investigation revealed the presence of 115 odorants, of which 83 were successfully identified. The compounds decanal, tridecanal, (Z)-1,5-octadien-3-one, octane-2,3-dione, benzophenone, non-3-yn-1-ol, γ-dodecalactone, (Z)-geranylacetone, 2,3-diethyl-5-methylpyrazine, 1-methylpyrrolidin-2-one, 2-acetyl-2-thiazoline, benzothiazole, skatole, and 5α-androst-16-en-3-one were detected with the highest flavor dilution factors and are described for the first time as odor-active compounds in fish from RAS. The results indicate that depuration decreased the levels of 78 different odorants from the fish, including the potent earthy smelling odorants geosmin, isoborneol and 2,3-diethyl-5-methylpyrazine.
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  • 文章类型: Journal Article
    聚合物袋是一种应用广泛的,简单,以及用于气态样品的存储和离线分析的经济有效的方法。各种材料已被用作取样袋,所有已知的都含有杂质,成本不同,耐用性,和存储能力。在这里,我们对几种著名的袋子材料进行了比较研究,Tedlar(PVF),Kynar(PVDF),聚四氟乙烯(PTFE),和纳洛芬(PET),以及一种新材料,乙烯-乙烯基共聚物(EVOH),通常用于储存食物。我们调查了储存条件的影响,湿度,湿度袋子清洁,和光照对挥发性有机化合物浓度(丙酮,乙酸,异戊二烯,苯,柠檬烯,除其他外)在袋子中储存长达48小时的呼出人体呼吸样本中。具体来说,我们在所有材料的袋子中显示出短链脂肪酸(SCFA)的高损失(对于大多数SCFA,储存8小时后低于50%)。我们发现特德拉的样本,纳洛芬,和EVOH袋在暴露于UV辐射48小时的时间段时经历组成的变化。我们报告了所有袋中的高初始杂质水平,并且在48小时后加倍。我们将二次电喷雾电离(SESI)和质子转移反应(PTR)质谱在采样袋中储存后进行离线分析。通过呈现所有重要的m/z特征的强度变化,我们提供了对袋子内容物的时间演变的分析观点。我们还提出了一个简单的,自动化,和具有成本效益的离线样品引入系统,这使得能够将从聚合物袋收集的气体样品控制递送到质谱仪中。总的来说,我们的研究结果表明,取样袋表现出高水平的杂质,对几个环境因素敏感(例如,曝光),并为某些类别的化合物提供低回收率,例如,短链脂肪酸。
    Polymeric bags are a widely applied, simple, and cost-effective method for the storage and offline analysis of gaseous samples. Various materials have been used as sampling bags, all known to contain impurities and differing in their cost, durability, and storage capabilities. Herein, we present a comparative study of several well-known bag materials, Tedlar (PVF), Kynar (PVDF), Teflon (PTFE), and Nalophan (PET), as well as a new material, ethylene vinyl copolymer (EVOH), commonly used for storing food. We investigated the influences of storage conditions, humidity, bag cleaning, and light exposure on volatile organic compound concentration (acetone, acetic acid, isoprene, benzene, limonene, among others) in samples of exhaled human breath stored in bags for up to 48 h. Specifically, we show high losses of short-chain fatty acids (SCFAs) in bags of all materials (for most SCFAs, less than 50% after 8 h of storage). We found that samples in Tedlar, Nalophan, and EVOH bags undergo changes in composition when exposed to UV radiation over a period of 48 h. We report high initial impurity levels in all the bags and their doubling after a period of 48 h. We compare secondary electrospray ionization and proton transfer reaction mass spectrometry in the context of offline analysis after storage in sampling bags. We provide an analytical perspective on the temporal evolution of bag contents by presenting the intensity changes of all significantm/zfeatures. We also present a simple, automated, and cost-effective offline sample introduction system, which enables controlled delivery of collected gaseous samples from polymeric bags into the mass spectrometer. Overall, our findings suggest that sampling bags exhibit high levels of impurities, are sensitive to several environmental factors (e.g. light exposure), and provide low recoveries for some classes of compounds, e.g. SCFAs.
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  • 文章类型: Journal Article
    为了研究河西走廊地区的生态和大气恢复,本文分析了河西走廊地区土地利用特征的迁移变化,并利用多元数据和BenMAP-CE软件研究了河西走廊地区臭氧及其前体物的污染特征及其对人体健康的影响。结果表明,河西走廊耕地面积的增加主要来自草地。MDA8-O3浓度在43%和99%的天内达到环境空气质量标准的主要和次要标准,分别。NO2对O3表现出负的周末效应,而HCHO则相反。温度,大气压力,植被与O3-NO2-HCHO高度相关。研究区域的臭氧污染导致约60%的所有原因因心血管疾病而过早死亡。研究表明,在高臭氧期(8月除外),控制武威市外源运移主要以西部和西北部为主,VOCs和NOx排放的协同管理可以减少O3污染,因此,降低对人类健康的风险。
    In order to study the ecological and atmospheric recovery of the Hexi Corridor region, this paper analyzes the migration changes of land use characteristics and utilizes multivariate data and BenMAP-CE software to study the pollution characteristics of ozone and its precursors and the impact on human health in the Hexi Corridor region. The results showed that the increase of cultivated land area in the Hexi Corridor mainly originated from grassland. The MDA8-O3 concentrations met the primary and secondary standards of the Ambient Air Quality Standards on 43% and 99% of the days, respectively. NO2 showed a negative weekend effect with O3, and HCHO was opposite to it. Temperature, barometric pressure, and vegetation were highly correlated with O3-NO2-HCHO. Ozone pollution in the study area caused about 60% of all-cause premature deaths due to cardiovascular diseases. The study suggests that controlling exogenous transport in Wuwei City during the high ozone period (except August) is mainly dominated by the west and northwest, and that synergistic management of VOCs and NOx emissions can reduce O3 pollution and, consequently, reduce the risk to human health.
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  • 文章类型: Journal Article
    近年来,在特定时期,中国东部沿海地区的挥发性有机化合物(VOCs)水平升高。VOCs已成为这些地区主要的大气污染物之一。在这项研究中,64种化合物,包括烷烃,烯烃,卤代烃,芳烃,和含氧VOCs(OVOCs)通过TO-15方法在工业中进行了12个月的运动,中国长江三角洲的城市和郊区。8个采样点总VOC(TVOC)浓度总体变化趋势为冬季>秋季>春季>夏季。工业场所的VOC类别比例各不相同,虽然OVOCs和卤代烃在城市和郊区有很高的比例,分别。涂层,车辆排放,石化源,工业来源,通过正矩阵分解模型确定了汽油挥发是主要的VOC排放源。石化和涂料来源是工业现场的主要VOC来源。芳烃在工业场所贡献了最大的臭氧形成潜力,而OVOCs在四个季节在城市和郊区都提供了主要贡献。根据健康风险评估,三个工业场所存在很高的非致癌风险。应特别注意某些挥发性有机化合物,如工业领域的丙烯醛和1,2-二溴乙烷。
    In recent years, the coastal area in East China has experienced elevated volatile organic compounds (VOCs) levels during specific periods. VOCs have become one of the major atmospheric pollutants in these areas. In this study, 64 compounds including alkanes, alkenes, halohydrocarbons, aromatics, and oxygenated VOCs (OVOCs) were obtained by the TO-15 method through a 12-month campaign in industrial, urban and suburban areas in the Yangtze River Delta of China. The overall trends of total VOC (TVOC) concentrations at eight sampling sites were as follows: winter > autumn > spring > summer. The proportion of VOC categories was various at industrial sites, while OVOCs and halohydrocarbons had high proportions at urban sites and suburban sites, respectively. Coating, vehicle emission, petrochemical source, industrial source, and gasoline volatilization were identified as the major VOC emission sources by the positive matrix factorization model. Petrochemical and coating sources were the prime VOC sources at industrial sites. Aromatics contributed the most ozone formation potential at industrial sites, while OVOCs provided the main contributions at both urban and suburban sites during four seasons. According to the health risk assessment, a high probability of non-carcinogenic risk existed at three industrial sites. Special attention should be given to certain VOCs, such as acrolein and 1,2-dibromoethane in industrial areas.
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  • 文章类型: Journal Article
    挥发性有机化合物(VOCs)是对健康和环境造成重大风险的污染物,需要有效的缓解策略。催化氧化作为将VOC转化为无毒最终产物的可行方法出现。本研究的重点是在水热条件下在CaO-SiO2-Cr(NO3)3-H2O体系中合成基于硅酸钙水合物与铬离子的催化剂,并评估其热稳定性和催化性能。在220°C的温度下,在饱和蒸汽压力下,在未搅拌的悬浮液中合成具有不同浓度的铬离子(10、25、50、100mg/gCr3+)的催化剂。等温固化时间为8h,16小时,X射线衍射和原子吸收光谱的结果表明,水热合成对于将高达100mg/gCr3+掺入硅酸钙水合物中是有效的。含Cr3+离子(50mg/g)的催化剂在550℃下保持稳定,在此基础上形成了铬铁矿。使用丙醇和乙酸丙酯的催化氧化实验表明,负载在硅酸钙水合物上的Cr3催化剂增强了非均相氧化过程中的氧交换。动力学计算表明,合成的催化剂是活性的,活化能低于65kJ/mol。这项研究强调了Cr3插层硅酸钙水合物作为VOC氧化的有效催化剂的潜力。
    Volatile organic compounds (VOCs) are pollutants that pose significant health and environmental risks, necessitating effective mitigation strategies. Catalytic oxidation emerges as a viable method for converting VOCs into non-toxic end products. This study focuses on synthesizing a catalyst based on calcium silicate hydrates with chromium ions in the CaO-SiO2-Cr(NO3)3-H2O system under hydrothermal conditions and evaluating its thermal stability and catalytic performance. A catalyst with varying concentrations of chromium ions (10, 25, 50, 100 mg/g Cr3+) was synthesized in unstirred suspensions under saturated steam pressure at a temperature of 220 °C. Isothermal curing durations were 8 h, 16 h, and 48 h. Results of X-ray diffraction and atomic absorption spectroscopy showed that hydrothermal synthesis is effective for incorporating up to 100 mg/g Cr3+ into calcium silicate hydrates. The catalyst with Cr3+ ions (50 mg/g) remained stable up to 550 °C, beyond which chromatite was formed. Catalytic oxidation experiments with propanol and propyl acetate revealed that the Cr3+ catalyst supported on calcium silicate hydrates enhances oxygen exchange during the heterogeneous oxidation process. Kinetic calculations indicated that the synthesized catalyst is active, with an activation energy lower than 65 kJ/mol. This study highlights the potential of Cr3+-intercalated calcium silicate hydrates as efficient catalysts for VOC oxidation.
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  • 文章类型: Journal Article
    高致病性和低致病性禽流感病毒(HPAIV,LPAIV)是全球家禽疾病的主要原因。HPAIV和LPAIV对全球家禽业构成主要威胁。因此,早期发现和适应良好的监测策略对于控制这些病毒的传播至关重要。在过去的几十年中,从活生物体释放的挥发性有机化合物(VOC)已作为诊断策略进行了研究。质谱仪器可以分析病毒感染时发出的VOC。选择的离子流动管质谱(SIFT-MS)可以在不到20分钟的时间内直接分析细胞顶部空间。作为一项概念验证研究,我们研究了SIFT-MS耦合稀疏偏最小二乘判别分析分析工作流程区分IAV感染细胞的能力.HPAIV的上清液,LPAIV,和对照细胞在感染后1至72小时收集并使用我们的分析工作流程进行分析。在每个收集点,首先根据四个独立实验确定VOCs的特征,然后将其用于区分外部样品的感染状态。我们的结果表明,识别的VOCs特征成功地区分,早在感染后1小时,来自对照细胞的感染细胞和来自LPAIV感染的HPAIV分化。这些结果表明病毒依赖性VOC特征。总的来说,外部样品状态以96.67%的灵敏度鉴定,100%特异性,和97.78%的一般精度。
    High and low pathogenicity avian influenza viruses (HPAIV, LPAIV) are the primary causes of poultry diseases worldwide. HPAIV and LPAIV constitute a major threat to the global poultry industry. Therefore, early detection and well-adapted surveillance strategies are of the utmost importance to control the spread of these viruses. Volatile Organic Compounds (VOCs) released from living organisms have been investigated over the last decades as a diagnostic strategy. Mass spectrometry instruments can analyze VOCs emitted upon viral infection. Selected ion flow tube mass spectrometry (SIFT-MS) enables direct analysis of cell headspace in less than 20 min. As a proof-of-concept study, we investigated the ability of a SIFT-MS coupled sparse Partial Least Square-Discriminant Analysis analytical workflow to discriminate IAV-infected cells. Supernatants of HPAIV, LPAIV, and control cells were collected from 1 to 72 h post-infection and analyzed using our analytical workflow. At each collection point, VOCs\' signatures were first identified based on four independent experiments and then used to discriminate the infectious status of external samples. Our results indicate that the identified VOCs signatures successfully discriminate, as early as 1-h post-infection, infected cells from the control cells and differentiated the HPAIV from the LPAIV infection. These results suggest a virus-dependent VOCs signature. Overall, the external samples\' status was identified with 96.67% sensitivity, 100% specificity, and 97.78% general accuracy.
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  • 文章类型: Journal Article
    背景:这项研究采用质子转移反应质谱(PTR-MS)来分析504名健康成年人的呼出呼吸谱,专注于九种常见的挥发性有机化合物(VOCs):丙酮,乙醛,乙腈,乙醇,异戊二烯,甲醇,丙醇,苯酚,还有甲苯.PTR-MS提供实时VOC测量,对于理解呼吸生物标志物及其在健康评估中的应用至关重要。
    目的:该研究旨在调查人口统计学因素-性别,年龄,和吸烟史影响呼气中的VOC浓度。目的是增强我们对呼吸生物标志物及其健康监测和临床诊断潜力的理解。
    方法:使用PTR-MS收集呼气样本,测量九种VOCs的浓度。对数据进行了分析,以辨别不同人口群体的分布模式。
    结果:男性显示某些化合物的平均VOC水平较高。丙醇和甲醇浓度随年龄显著增加。吸烟史影响VOC水平,不吸烟者之间的差异,当前吸烟者,和前吸烟者。
    结论:这项研究为人口统计学对呼出VOC谱的影响提供了有价值的见解,强调呼吸分析在健康评估中的潜力。PTR-MS的实时测量能力对于捕获动态VOC变化至关重要,提供优于传统方法的优势。这些发现为非侵入性疾病检测的进步奠定了基础,强调在呼吸生物标志物研究中考虑人口统计学的重要性。
    BACKGROUND: This study employs Proton-Transfer-Reaction Mass Spectrometry (PTR-MS) to analyze exhaled breath profiles of 504 healthy adults, focusing on nine common volatile organic compounds (VOCs): acetone, acetaldehyde, acetonitrile, ethanol, isoprene, methanol, propanol, phenol, and toluene. PTR-MS offers real-time VOC measurement, crucial for understanding breath biomarkers and their applications in health assessment.
    OBJECTIVE: The study aims to investigate how demographic factors-gender, age, and smoking history-affect VOC concentrations in exhaled breath. The objective is to enhance our understanding of breath biomarkers and their potential for health monitoring and clinical diagnosis.
    METHODS: Exhaled breath samples were collected using PTR-MS, measuring concentrations of nine VOCs. The data were analyzed to discern distribution patterns across demographic groups.
    RESULTS: Males showed higher average VOC levels for certain compounds. Propanol and methanol concentrations significantly increased with age. Smoking history influenced VOC levels, with differences among non-smokers, current smokers, and ex-smokers.
    CONCLUSIONS: This research provides valuable insights into demographic influences on exhaled VOC profiles, emphasizing the potential of breath analysis for health assessment. PTR-MS\'s real-time measurement capabilities are crucial for capturing dynamic VOC changes, offering advantages over conventional methods. These findings lay a foundation for advancements in non-invasive disease detection, highlighting the importance of considering demographics in breath biomarker research.
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  • 文章类型: Letter
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  • 文章类型: Journal Article
    淡味白酒(LFB)因其风味而受到广泛重视。这项研究确定了52%乙醇-水基质中14种香气化合物的阈值,并使用Feller添加剂模型和气味活性值方法对LFB中关键香气化合物之间的相互作用进行了全面分析。其中,β-大马酮与酯和醇化合物的相互作用主要是促进的,而与酸性化合物的相互作用主要是掩蔽。此外,第一次,脑电图(EEG)技术用于表征香气化合物之间的相互作用。结果表明,α频段的大脑活动表现出增强的嗅觉敏感性。脑电图不仅可以显示气味强度的累加效应,而且可以反映不同气味之间香气相似性的差异。这项研究表明,脑电图可以作为嗅觉评估的有效工具。
    Light-flavor Baijiu (LFB) is widely cherished for its flavor. This study identified the thresholds of 14 aroma compounds in a 52% ethanol-water matrix and conducted a comprehensive analysis of the interactions among key aroma compounds in LFB using the Feller additive model and odor activity values approach. Among them, the interactions of β-damascenone with ester and alcohol compounds were primarily promotive, while the interaction with acid compounds was predominantly masking. Furthermore, for the first time, the electroencephalogram (EEG) technology was used to characterize the interactions between aroma compounds. The results showed that the brain activity in the alpha frequency band demonstrated heightened olfactory sensitivity. The EEG could not only display the additive effect of odor intensity but also reflect the differences in aroma similarity between different odors. This study demonstrated that the EEG can serve as an effective tool for olfactory assessment.
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