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首页> 外文会议>Annual conference of the International Society of Exposure Science >Human biomonitoring of the exposure to the flavorant 2-(4-tert-butylbenzyl)propionaldehyde (lysmeral)
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Human biomonitoring of the exposure to the flavorant 2-(4-tert-butylbenzyl)propionaldehyde (lysmeral)

机译：人体对调味剂2-（4-叔丁基苄基）丙醛（赖草醛）暴露的生物监控

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Aim: 2-(4-tert-Butylbenzyl)propionaldehyde, also known as lysmeral, lilial or lily-aldehyde (CAS No 80-54-6) is a synthetic fragrance used in a variety of consumer products like perfumes, after shave lotions and cosmetics. Due to its broad application, lysmeral was selected for the development of a biomonitoring method for the general population within the frame of the cooperation project of the German Federal Ministry for the Environment (BMUB) and the German Chemical Industry Association (VCI). Methods: A method based on UPLC-MS/MS was developed for the simultaneous determination of potential biomarkers of lysmeral in human urine samples. Sample cleanup was performed by liquid-liquid extraction (LLE) after enzymatic hydrolysis of the conjugates. Quantification was achieved by standard addition using stable-isotope labeled, authentic reference standards. The method was applied to urine samples collected in an ethicall-approved study with 5 subjects, who received one oral dose of lysmeral as well as to spot urine samples provided by 40 volunteers from the general population. Results: The method is characterized by its robustness, reliability and excellent sensitivity as proven during method validation according to FDA and DFG guidelines. The following four lysmeral metabolites were identified as suitable biomarkers of exposure for lysmeral in human urine samples: lysmerol, lysmerylic acid, hydroxylated lysmerylic acid and tert-butylbenzoic acid (TBBA). After oral administration, the urinary excretion reached its maximum (Tmax) after 2 - 5 h, showing faster kinetics for the primary (lysmerol, lysmerylic acid) as compared to the secondary metabolites (hydroxylated lysmerylic acid, TBBA). More than 90 % of all measured lysmeral metabolites were excreted after 12 h. After 48 h, when the renal excretion is virtually complete, TBBA, lysmerol, lysmerylic acid and hydroxyl-lysmerylic acid represent on average 14.3, 1.82, 0.20 and 0.16 %, respectively, of the dose administered. In total, the 4 metabolites represent about 16.5 % of the dose. With the conversion factors derived from the human study, we estimated median exposure doses for lysmeral in a group of 40 human volunteers of approximately 140 - 220 ug per day. Conclusion: The lysmeral metabolites lysmerol, lysmerylic acid, hydroxyl-lysmerylic acid and TBBA in urine are suitable biomarkers of exposure and can be applied, either single or in any combination, for biomonitoring of the general population
机译：目的：2-（4-叔丁基苄基）丙醛，也称为赖斯，醛或百合醛（CAS编号80-54-6）是一种合成香精，用于剃须乳液和剃须膏后的各种消费品，例如香水。化妆品。由于其广泛的应用，在德国联邦环境部（BMUB）和德国化学工业协会（VCI）的合作项目框架内，选择了赖草醛用于普通人群的生物监测方法的开发。方法：建立了一种基于UPLC-MS / MS的方法，用于同时测定人尿液中的赖氨酸的潜在生物标记。偶联物酶水解后，通过液-液萃取（LLE）进行样品净化。通过使用稳定同位素标记的真实参考标准品添加标准品，可以实现定量。该方法适用于5名受试者的伦理学批准的研究中收集的尿液样本，这些受试者接受了1剂口服赖氨酸治疗，并发现了40名来自普通人群的志愿者提供的尿液样本。结果：根据FDA和DFG指南，在方法验证过程中证明了该方法的坚固性，可靠性和出色的灵敏度。下列四种赖氨酸代谢产物被确定为人类尿液样本中赖氨酸暴露的合适生物标志物：赖酚，赖氨酸，羟基赖氨酸和叔丁基苯甲酸（TBBA）。口服后，尿排泄在2-5小时后达到最大值（Tmax），与次要代谢物（羟基化的lysmerylic acid，TBBA）相比，伯（lysmerol，lysmerylic acid）的动力学更快。 12小时后，所有测得的赖氨酸代谢产物中有90％以上被排出体外。 48小时后，当肾脏排泄基本完成时，TBBA，麦角醇，麦角酸和羟基麦角酸分别平均占所用剂量的14.3％，1.82％，0.20％和0.16％。总共4种代谢物约占剂量的16.5％。利用人类研究得出的转化因子，我们估算了40名志愿者中每天约140-220 ug的赖氨酸暴露中值。结论：尿液中的赖氨酸代谢产物赖酚，赖氨酸，羟基赖氨酸和TBBA是合适的暴露生物标志物，可以单独或以任何组合的形式应用于一般人群的生物监测。

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