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
    化学信号和信号,尤其是昆虫,在调解个体之间的互动中起着关键作用。过去的研究主要集中在成人化学信息素,而忽略了青少年阶段的化学信息素。特别是在父母照顾的背景下,幼虫的气味可能会对育儿行为产生深远的影响,指导父母在不同的发展阶段应该分配多少资源。然而,在亚社会物种中是否发生个体发育变化以及幼虫发出的气味是否会影响父母与后代的相互作用,目前尚不清楚。使用3种不同的采样技术,我们分析了掩埋甲虫Nicrophorusvespilloides的3个幼虫的表皮和VOC轮廓,以精心的父母照顾而闻名。我们发现在3个幼虫阶段的角质层和VOC分布存在明显差异。二龄幼虫,它们比其他幼虫阶段更频繁地接受父母的喂养,释放更多的苯乙酮,甲基叶酸酯,和辛酸异丙酯比第一龄和第三龄。此外,使用新开发的带有自动视频跟踪的生物测定法,我们发现,将二龄幼虫的气味添加到一龄幼虫中会增加产妇喂养次数。我们的结果表明,幼虫产生的气味在介导亲子关系中起着重要作用。鉴于这些发现,掩埋甲虫可能会成为识别潜在乞讨信息素的有希望的候选者。
    Chemical cues and signals, especially in insects, play a pivotal role in mediating interactions between individuals. Past studies have largely focused on adult semiochemicals and have neglected those of juvenile stages. Especially in the context of parental care, the larval odor might have a profound impact on parenting behavior, guiding parents in how much resources they should allocate to the different developmental stages. However, whether ontogenetic changes occur in subsocial species and whether larval-emitted scents influence parent-offspring interactions is largely unknown. Using 3 different sampling techniques, we analyzed the cuticular and VOC profile of the 3 larval instars of the burying beetle Nicrophorus vespilloides, which is known for its elaborate parental care. We found distinct differences in the cuticular and VOC profiles across the 3 larval stages. Second-instar larvae, which receive more frequent feedings from parents than the other larval stages, released greater amounts of acetophenone, methyl geranate, and octanoic acid isopropyl ester than the first and third instar. Additionally, using a newly developed bioassay with automated video tracking, we found that adding the odor of second-instar larvae to first-instar larvae increased the number of maternal feeding trips. Our results suggest that the odor produced by larvae plays an important role in mediating parent-offspring interactions. Given these findings, burying beetles might emerge as a promising candidate for identifying a potential begging pheromone.
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  • 文章类型: Journal Article
    原发性硬化性胆管炎(PSC)是一种慢性胆汁淤积性肝病,其特征是胆管进行性炎症和纤维化。PSC是一种病因不明的复杂疾病,与炎症性肠病(IBD)密切相关。诊断,尤其是在早期阶段,是困难的,迄今为止没有诊断生物标志物。本研究旨在评估呼出气中挥发性有机化合物(VOC)的诊断潜力,以检测IBD人群中的(早期)PSC。
    呼吸样本来自16例单独的PSC患者,47与PSC和IBD,在门诊就诊期间仅有53例IBD。使用ReCIVA呼吸采样器进行呼吸采样,随后通过气相色谱质谱法进行分析。进行随机森林建模以找到歧视性VOC并创建使用独立测试集进行测试的预测模型。
    区分PSC患者的最终模型,有或没有IBD,从单独的IBD患者中包括20种挥发性有机化合物,并获得了敏感性,特异性,和受试者-工作曲线下的面积在77%的测试集上,83%,分别为0.84。三种VOCs(异戊二烯,2-辛酮和十一烷)与PSC疾病预后的阿姆斯特丹-牛津评分显着相关。敏感性分析显示,整个早期PSC的结果稳定,包括那些碱性磷酸酶水平正常的人,以及PSC的进一步发展。
    本研究表明,呼出气可以将PSC病例与IBD区分开,并且具有作为(早期)PSC的非侵入性临床呼气测试的潜力。
    原发性硬化性胆管炎是一种复杂的慢性肝病,最终导致肝硬化,肝功能衰竭,和死亡。检测,尤其是在疾病的早期阶段,可能是具有挑战性的,因此,治疗通常在已经有一些不可逆转的损害时开始。目前的研究表明,呼气中的代谢物,所谓的挥发性有机化合物,持有非侵入性检测原发性硬化性胆管炎的承诺,包括在疾病的早期阶段。
    UNASSIGNED: Primary sclerosing cholangitis (PSC) is a chronic cholestatic liver disease characterized by progressive inflammation and fibrosis of the bile ducts. PSC is a complex disease of largely unknown aetiology that is strongly associated with inflammatory bowel disease (IBD). Diagnosis, especially at an early stage, is difficult and to date there is no diagnostic biomarker. The present study aimed to assess the diagnostic potential of volatile organic compounds (VOCs) in exhaled breath to detect (early) PSC in an IBD population.
    UNASSIGNED: Breath samples were obtained from 16 patients with PSC alone, 47 with PSC and IBD, and 53 with IBD alone during outpatient clinic visits. Breath sampling was performed using the ReCIVA breath sampler and subsequently analysed by gas chromatography mass spectrometry. Random forest modelling was performed to find discriminatory VOCs and create a predictive model that was tested using an independent test set.
    UNASSIGNED: The final model to discriminate patients with PSC, with or without IBD, from patients with IBD alone included twenty VOCs and achieved a sensitivity, specificity, and area under the receiver-operating curve on the test set of 77%, 83%, and 0.84 respectively. Three VOCs (isoprene, 2-octanone and undecane) together correlated significantly with the Amsterdam-Oxford score for PSC disease prognosis. A sensitivity analysis showed stable results across early-stage PSC, including in those with normal alkaline phosphatase levels, as well as further progressed PSC.
    UNASSIGNED: The present study demonstrates that exhaled breath can distinguish PSC cases from IBD and has potential as a non-invasive clinical breath test for (early) PSC.
    UNASSIGNED: Primary sclerosing cholangitis is a complex chronic liver disease, which ultimately results in cirrhosis, liver failure, and death. Detection, especially in early disease stages, can be challenging, and therefore therapy typically starts when there is already some irreversible damage. The current study shows that metabolites in exhaled breath, so called volatile organic compounds, hold promise to non-invasively detect primary sclerosing cholangitis, including at early disease stages.
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  • 文章类型: Journal Article
    甲基化代表了一类关键的修饰,它协调了植物中的一系列调节作用,影响观赏特性,增长,发展,以及对非生物胁迫的反应。甲基化的建立和维持涉及多个调控因子的协同作用。甲基转移酶通过特异性识别和甲基化靶向位点发挥关键作用,诱导染色质结构和基因表达的改变,随后影响挥发性芳香物质的释放和植物花瓣中色素的积累。在本文中,我们综述了甲基化修饰反应的调控机制及其对植物花瓣中芳香物质和色素变化的影响。我们还探索了甲基化修饰的潜力,以揭示植物花瓣中香气和颜色的调节机制。这旨在进一步阐明合成,新陈代谢,以及与植物花瓣中的香气和颜色物质有关的各种甲基化修饰的调节机制,从而为改善植物花瓣的香气和色泽提供理论参考。
    Methylation represents a crucial class of modification that orchestrates a spectrum of regulatory roles in plants, impacting ornamental characteristics, growth, development, and responses to abiotic stress. The establishment and maintenance of methylation involve the coordinated actions of multiple regulatory factors. Methyltransferases play a pivotal role by specifically recognizing and methylating targeted sites, which induces alterations in chromatin structure and gene expression, subsequently influencing the release of volatile aromatic substances and the accumulation of pigments in plant petals. In this paper, we review the regulatory mechanisms of methylation modification reactions and their effects on the changes in aromatic substances and pigments in plant petals. We also explore the potential of methylation modifications to unravel the regulatory mechanisms underlying aroma and color in plant petals. This aims to further elucidate the synthesis, metabolism, and regulatory mechanisms of various methylation modifications related to the aroma and color substances in plant petals, thereby providing a theoretical reference for improving the aroma and color of plant petals.
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  • 文章类型: Journal Article
    霞多丽是世界上最受欢迎的白葡萄酒品种之一,但是这种酒缺乏典型的香气,被认为是感觉缺陷。我们的研究小组确定了具有典型麝香特征的霞多丽芽运动。这项工作的目的是在这种霞多丽芽运动中发现与麝香特征相关的关键候选基因,以揭示麝香形成的机制并指导分子设计育种。为此,使用HS-SPME-GC-MS和RNA-Seq分析了霞多丽及其芳香芽运动中的挥发性有机化合物和差异表达基因。49种挥发物被确定为潜在的生物标志物,其中主要包括醛和萜烯。香叶醇,芳樟醇,和苯乙醛被鉴定为突变体的主要香气成分。GO,KEGG,GSEA,相关分析显示HMGR,TPS1,TPS2,TPS5,novel.939和CYP450是萜烯合成的关键基因。MAO1和MAO2显著下调,但是苯乙醛的含量增加了。这些关键候选基因为马斯喀特品种功能标记的开发提供了参考,也为了解马斯喀特香气的形成机制提供了参考。
    Chardonnay is one of the most popular white grape wine varieties in the world, but this wine lacks typical aroma, considered a sensory defect. Our research group identified a Chardonnay bud sport with typical muscat characteristics. The goal of this work was to discover the key candidate genes related to muscat characteristics in this Chardonnay bud sport to reveal the mechanism of muscat formation and guide molecular design breeding. To this end, HS-SPME-GC-MS and RNA-Seq were used to analyze volatile organic compounds and the differentially expressed genes in Chardonnay and its aromatic bud sport. Forty-nine volatiles were identified as potential biomarkers, which included mainly aldehydes and terpenes. Geraniol, linalool, and phenylacetaldehyde were identified as the main aroma components of the mutant. The GO, KEGG, GSEA, and correlation analysis revealed HMGR, TPS1, TPS2, TPS5, novel.939, and CYP450 as key genes for terpene synthesis. MAO1 and MAO2 were significantly downregulated, but there was an increased content of phenylacetaldehyde. These key candidate genes provide a reference for the development of functional markers for muscat varieties and also provide insight into the formation mechanism of muscat aroma.
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  • 文章类型: Journal Article
    人们对使用精油进行食品保存有相当大的兴趣,但是它们对产品香气特征的影响知之甚少。这项研究调查了在1-2°C下储存8天后,以增加的浓度(0.005、0.01、0.02和0.03%v/w)添加百里香精油(EO)对真空包装火鸡肉末挥发性化合物组成的影响。使用HS-SPME/GCMS(顶空固相微萃取/气相色谱-质谱法)方法确定肉的香气特征。结果也通过PCA(主成分分析)进行了分析。百里香EO的添加对肉类成分的香气特征有改善作用,例如,苯乙醛的形成,苯甲醇,4,7-二甲基苯并呋喃,六硫烷,己醛,和1-己醇减少,并且在储存的样品中观察到9-十六碳烯酸的出现。EO浓度的增加以不同方式影响肉顶部空间中其单个组分的水平。就脂肪酸败指数而言,即使加入0.005%的这种精油也会显著降低过氧化值。定量描述性分析(QDA)表明,百里香EO的添加降低或掩盖了与肉类腐败有关的难闻气味的强度。在香气分析中,v/wEO为0.02%的火鸡得分最高,发现了令人愉快的柑橘味。
    There is considerable interest in the use of essential oils for food preservation, but their effect on the aroma profile of a product is poorly understood. This study investigated the effect of thyme essential oil (EO) addition at increasing concentrations (0.005, 0.01, 0.02, and 0.03% v/w) on the volatile compound composition of vacuum-packed minced turkey meat after storage for 8 days at 1-2 °C. The aroma profile of the meat was determined using the HS-SPME/GCMS (headspace solid-phase microextraction/gas chromatography-mass spectrometry) method. The results were also analysed by PCA (principal component analysis). The addition of thyme EO had a modifying effect on the aroma profile of meat-derived components, e.g., the formation of benzeneacetaldehyde, benzyl alcohol, 4,7-dimethylbenzofuran, hexathiane, hexanal, and 1-hexanol was reduced and the appearance of 9-hexadecenoic acid was observed in the stored samples. The increase in EO concentration affected the levels of its individual components in the meat headspace in different ways. In terms of fat rancidity indices, even a 0.005% addition of this essential oil significantly reduced the peroxide value. Quantitative descriptive analysis (QDA) showed that the addition of thyme EO reduced or masked the intensity of unpleasant odours associated with meat spoilage. In the aroma analysis, the turkey with 0.02% v/w EO scored highest, and pleasant citrus notes were found.
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  • 文章类型: Journal Article
    这项工作使用顶空固相微萃取-气相色谱-质谱法(HS-SPME-GC-MS)分析了柑橘×'Daidai'和柑橘×aurantiumL.干芽(CAVA和CADBs)的水溶胶的挥发性成分。结果表明,在水溶胶中总共检测到106种挥发物,主要是酒精,烯烃,和酯类,水溶胶的高含量成分是芳樟醇,α-松油醇,和反式香叶醇.就品种而言,CAVA水溶胶的总组分和独特组分远高于CADB水溶胶;CAVA水溶胶中13种组分的相对含量大于CADB水溶胶,乙酸香叶酯高达15倍;所有的水溶胶都有柑橘,花卉,和木质香气。从预处理,更多的挥发性成分保留在浸泡中;通过超声-微波程序增加芳樟醇和α-松油醇的相对含量;超声-微波程序有利于激发CAVA水溶胶的香气,但它减少了CADB水溶胶的香气。本研究为基于CAVA药食同源特性的深入探索和提高废弃资源利用率提供了理论支持。
    This work used headspace solid-phase microextraction with gas chromatography-mass spectrometry (HS-SPME-GC-MS) to analyze the volatile components of hydrosols of Citrus × aurantium \'Daidai\' and Citrus × aurantium L. dried buds (CAVAs and CADBs) by immersion and ultrasound-microwave synergistic-assisted steam distillation. The results show that a total of 106 volatiles were detected in hydrosols, mainly alcohols, alkenes, and esters, and the high content components of hydrosols were linalool, α-terpineol, and trans-geraniol. In terms of variety, the total and unique components of CAVA hydrosols were much higher than those of CADB hydrosols; the relative contents of 13 components of CAVA hydrosols were greater than those of CADB hydrosols, with geranyl acetate up to 15-fold; all hydrosols had a citrus, floral, and woody aroma. From the pretreatment, more volatile components were retained in the immersion; the relative contents of linalool and α-terpineol were increased by the ultrasound-microwave procedure; and the ultrasound-microwave procedure was favorable for the stimulation of the aroma of CAVA hydrosols, but it diminished the aroma of the CADB hydrosols. This study provides theoretical support for in-depth exploration based on the medicine food homology properties of CAVA and for improving the utilization rate of waste resources.
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  • 文章类型: Journal Article
    真空辅助吸附剂提取(VASE)是一种新颖的提取技术,它使用真空来促进挥发性化合物从基质转移到吸附剂。探索了该技术从猕猴桃果实中提取挥发物,进行定性和定量分析。选择的提取参数进行了测试:样品大小,提取温度和时间,组织崩解对挥发物释放的影响,以及以AgNO3形式添加Ag1离子以停止挥发性化合物的酶促形成。对于选定的条件(10g样品,提取30分钟。在40°C的混合水果中挥发物)定量方面进行了探索。测试了醋栗角的22种化合物。该方法在10-5000µg/kg范围内具有非常好的线性,并且具有良好的重现性。实验证明了VASE在猕猴桃和其他预期水果的挥发性分析和定量分析中的有用性。
    Vacuum-Assisted Sorbent Extraction (VASE) is a novel extraction technique that uses vacuum to facilitate the transfer of volatile compounds from the matrix to the sorbent. This technique was explored for extraction of volatiles from cape gooseberry fruit, for both qualitative and quantitative analyses. Selected extraction parameters were tested: sample size, extraction temperature and time, influence of tissue disintegration on release of volatiles, and also addition of Ag+1 ions in the form of AgNO3 to stop enzymatic formation of volatile compounds. For selected conditions (10 g sample, extraction for 30 min. at 40 °C of volatiles from blended fruit) quantitative aspects were explored. Twenty-two compounds of cape gooseberry were tested. The method was characterized with a very good linearity in a range of 10-5000 µg/kg and good reproducibility. The experiments proved the usefulness of VASE in both volatile profiling and quantitative analyses of cape gooseberry and in prospective other fruit.
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  • 文章类型: Journal Article
    儿童炎症性肠病(IBD)的诊断和区分亚型(克罗恩病(CD)和溃疡性结肠炎(UC))的需要需要长期的调查和侵入性程序。非侵入性,快速,并且需要具有成本效益的测试来支持这些诊断。粪便挥发性有机化合物(VOCs)在IBD中是独特的。可以使用气相色谱传感器装置(OdoReader®)快速确定VOC分布。在出现疑似IBD的儿童的初始队列中,我们直接比较了粪便钙卫蛋白(FCP,肠道炎症的非特异性蛋白质标志物)与OdoReader©随后诊断为IBD的儿童与诊断为其他胃肠道疾病的匹配对照的VOC谱。OdoReader©在来自同一队列的单独样本中验证时,在其他胃肠道疾病中诊断IBD的敏感性为82%(95%置信区间75-89%),特异性为71%(61-80%),但未优于FCP(敏感性为93%(77-99%)和特异性为86%(67-96%);250µg/gFCP截止)。然而,与FCP不同,也比其他类似技术更好,OdoReader©可以区分儿科CD和UC(在验证集中高达88%(82-93%)的敏感性和80%(71-89%)的特异性),并证明在大型研究中进一步验证是合理的.基于VOC的非侵入性测试可以帮助简化和限制儿童的侵入性调查。
    The diagnosis of inflammatory bowel disease (IBD) in children and the need to distinguish between subtypes (Crohn\'s disease (CD) and ulcerative colitis (UC)) requires lengthy investigative and invasive procedures. Non-invasive, rapid, and cost-effective tests to support these diagnoses are needed. Faecal volatile organic compounds (VOCs) are distinctive in IBD. VOC profiles can be rapidly determined using a gas chromatography-sensor device (OdoReader©). In an inception-cohort of children presenting with suspected IBD, we directly compared the diagnostic fidelity of faecal calprotectin (FCP, a non-specific protein marker of intestinal inflammation) with OdoReader© VOC profiles of children subsequently diagnosed with IBD with matched controls diagnosed with other gastrointestinal conditions. The OdoReader© was 82% (95% confidence interval 75-89%) sensitive and 71% (61-80%) specific but did not outperform FCP (sensitivity 93% (77-99%) and specificity 86% (67-96%); 250 µg/g FCP cut off) in the diagnosis of IBD from other gastrointestinal conditions when validated in a separate sample from the same cohort. However, unlike FCP and better than other similar technologies, the OdoReader© could distinguish paediatric CD from UC (up to 88% (82-93%) sensitivity and 80% (71-89%) specificity in the validation set) and justifies further validation in larger studies. A non-invasive test based on VOCs could help streamline and limit invasive investigations in children.
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  • 文章类型: Journal Article
    将昆虫餐纳入家禽饮食已成为传统饲料来源的可持续替代品。提供营养,福利福利,和环境优势。这项研究旨在监测和比较从生家禽尸体以及随后从饲喂不同饮食的动物的煮熟的鸡肉块中排放的挥发性化合物,包括利用以昆虫为基础的饲料成分。除了使用传统的分析技术,固相微萃取-气相色谱-质谱联用技术(SPME-GC-MS),探索VOC排放的变化,我们研究了S3+技术的潜力。这个小装置,它使用六个金属氧化物半导体气体传感器(MOX)的阵列,可以根据其挥发性特征来区分家禽产品。通过在这种情况下测试MOX传感器,我们可以开发一个便携式的,便宜,快速,非侵入性,以及评估食品质量和安全性的非破坏性方法。的确,了解挥发性化合物的变化对于评估整个供应链中家禽生产的控制措施至关重要。从田野到叉子。线性判别分析(LDA)应用使用MOX传感器读数作为预测变量和不同的气体类别作为目标变量,根据各种样品的总挥发性曲线成功区分它们。通过优化饲料成分和监测挥发性化合物,家禽生产者可以提高家禽生产系统的可持续性和安全性,为更高效、更环保的家禽业做出贡献。
    Incorporating insect meals into poultry diets has emerged as a sustainable alternative to conventional feed sources, offering nutritional, welfare benefits, and environmental advantages. This study aims to monitor and compare volatile compounds emitted from raw poultry carcasses and subsequently from cooked chicken pieces from animals fed with different diets, including the utilization of insect-based feed ingredients. Alongside the use of traditional analytical techniques, like solid-phase microextraction combined with gas chromatography-mass spectrometry (SPME-GC-MS), to explore the changes in VOC emissions, we investigate the potential of S3+ technology. This small device, which uses an array of six metal oxide semiconductor gas sensors (MOXs), can differentiate poultry products based on their volatile profiles. By testing MOX sensors in this context, we can develop a portable, cheap, rapid, non-invasive, and non-destructive method for assessing food quality and safety. Indeed, understanding changes in volatile compounds is crucial to assessing control measures in poultry production along the entire supply chain, from the field to the fork. Linear discriminant analysis (LDA) was applied using MOX sensor readings as predictor variables and different gas classes as target variables, successfully discriminating the various samples based on their total volatile profiles. By optimizing feed composition and monitoring volatile compounds, poultry producers can enhance both the sustainability and safety of poultry production systems, contributing to a more efficient and environmentally friendly poultry industry.
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