Fast and sensitive high performance liquid chromatography analysis of cosmetic creams for hydroquinone, phenol and six preservatives

A fast and sensitive HPLC method for analysis of cosmetic creams for hydroquinone, phenol and six preservatives has been developed. The influence of sample preparation conditions and the composition of the mobile phase and elution mode were investigated to optimize the separation of the eight studied components. Final conditions were 60% methanol and 40% water (v/v) extraction of the cosmetic creams. A C18 column (100 mm × 2.1 mm) was used as the separation column and the mobile phase consisted of methanol and 0.05 mol/L ammonium formate in water (pH=3.0) with gradient elution. The results showed that complete separation of the eight studied components was achieved within 10 min, the linear ranges were 1.0-200 μg/mL for phenol, 0.1-150 μg/mL for sorbic acid, 2.0-200 μg/mL for benzoic acid, 0.5-200 μg/mL for hydroquinone, methyl paraben, ethyl paraben and propyl paraben, butyl paraben, and good linear correlation coefficient (≥0.9997) were obtained, the detection limit was in the range of 0.05-1.0 μg/mL, the average recovery was between 86.5% and 116.3%, and the relative standard deviation (RSD) was less than 5.0% (n=6). The method is easy, fast and sensitive, it can be employed to analyze component residues in cosmetic creams especially in a quality control setting.     

CYP2C9酶与Warfarin结合模型的立体选择性理论研究

对CYP2C9酶与S-Warfarin复合物的晶体结构进行分子对接、分子动力学模拟、通道分析及结合自由能计算,发现原晶体结构中的结合模式为"亚稳态",提出了CYP2C9与S-Warfarin结合的可催化模式;比较了CYP2C9与S-和R-Warfarin结合的异同,确定了在结合过程中起重要作用的锚定氨基酸残基,尤其是位于活性位点区域的苯丙氨酸簇.在结合过程中这些残基通过芳香环的移动对稳定底物的结合模式起到至关重要的作用,阐明了该酶呈现相关底物选择性的原因.对于CYP2C9与底物对接模式及立体选择性的研究有助于在分子层面上理解特异性底物与酶的结合特点,为潜在的药物设计提供了合理可信的理论依据.     

Zirconium silicate assisted removal of residual proteins after organic solvent deproteinization of human plasma,enhancing the stability of the LC–ESI-MS response for the bioanalysis of small molecules

An efficient blood plasma clean-up method was developed, where methanol protein precipitation was applied, followed by zirconium silicate assisted exclusion of residual proteins. A strong binding of zirconium (IV) silicate to the proteins enabled the elimination of remaining proteins after solvent deproteinization through a rapid solid-phase extraction (SPE) procedure. Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI/TOF MS) was used for monitoring the proteins during clean-up practice applied to human plasma samples. The proteins were quantified by colorimetric detection using the bicinchoninic acid (BCA) assay. The presented analytical strategy resulted in the depletion of >99.6% proteins from human plasma samples. Furthermore, high-performance liquid chromatography hyphenated to diode-array and electrospray ionization mass spectrometric detection (HPLC–DAD/ESI MS) was applied for qualitative and quantitative analysis of the caffeoylquinic acids (CQAs) and their metabolites in human plasma. The procedure demonstrated high recoveries for the standard compounds spiked at different concentrations. Cynarin and chlorogenic acid were recovered in the range of 81–86% and 78–83%, respectively. Caffeic acid was extracted in the excess of 89–92%, while ferulic acid and dihydroxyhydrocinnamic acid showed a recovery of 87–91% and 92–95%, respectively. The method was partially validated in accordance with FDA-Industry Guidelines for Bioanalytical Method Validation (2001). The presented scheme improves the clean-up efficacy of the methanol deproteinization, significantly reduces the matrix effects and provides a great analytical tool for the isolation of small molecules from human plasma.     

Conformational analysis on anti-HIV-1 peptide T22([Tyr5,12,Lys7]-polyphemusinⅡ )

The conformational scan of anti-HIV peptide T22 ([Tyrsup>5,12, Lys⁷]-polyphemusinⅡ) backbone on a deformed potential energy surface (PES) was performed using the potential smoothing searching (PSS) protocol. All located minima were then transferred to the original PES using undeformed optimized potentials for liquid simulations (OPLS) potential function, and minimized by multi-conformer minimization (MCM). For solution-phase calculations, the GB/SA continuum model for water was used. This application of PSS integrated with MCM is proved a feasible method for solving the multiple-minimum problem in the conformational analysis of flexible molecules with cyclic structure.     

Analysis of Salicylic Acid Induced Proteins in Rice

ＳｉｎｃｅＷｈｉｔｅｏｂｓｅｒｖｅｄｔｈａｔｓｐｒａｙｉｎｇｔｏｂａｃｃｏｐｌａｎｔｓｗｉｔｈｓａｌｉｃｙｌｉｃａｃｉｄ (ＳＡ)ｏｒａｃｅｔｙｌｓａｌｉｃｙｌｉｃａｃｉｄｉｎｄｕｃｅｄｒｅｓｉｓｔａｎｃｅｔｏｉｎｆｅｃｔｉｏｎｗｉｔｈｔｏｂａｃｃｏｍｏｓａｉｃｖｉｒｕｓ[1] ,ｍａｎｙｅｘｐｅｒｉｍｅｎｔｓｈａｖｅｄｅｍｏｎｓｔｒａｔｅｄｔｈａｔＳＡｐｌａｙｓａｎｉｍｐｏｒｔａｎｔｒｏｌｅｉｎｐｌａｎｔｄｉｓｅａｓｅｒｅｓｉｓｔａｎｃｅ ,ａｃｔｉｎｇａｓａｎｅｎｄｏｇｅｎｏｕｓｓｉｇｎａｌｍｏｌｅｃ…     

企业社会责任标准SA 8000——不平等契约

在生产全球化的大背景下,工人、消费者、NGOs、政府和企业本身对企业社会责任越来越关注,SA8000标准应运而生。在分析企业社会责任和SA8000标准认证形成机制的基础上,从经济学角度指出企业社会责任标准SA8000是一种契约,分析了契约内容的不平等性以及造成这种不平等性的原因。     

社会责任标准SA8000与中国劳工制度的完善

SA8000作为全球第一个可用于第三方认证的社会责任国际标准，具有某些贸易壁垒的作用和特点，但更应该看到SA8000的实质是对劳工的人文关怀。而我国现行劳动标准中的诸多内容如自由结社权、集体谈判权、强迫劳动和童工问题等，与SA8000的要求存在较大的差距，因此，我国应当尽快按照SA8000的要求来完善相关的劳工制度，以应对经济全球化的需要和实现社会和谐的目标。     

大数据在交通强国建设中的应用

探讨了大数据技术在交通强国建设中的作用及在交通管理、交通安全、交通信息服务、交通运输规划、公共交通等领域的应用方法和前景;对基于信息物理系统的交通态势感知系统、基于动态本体论的交通行业多模态知识图谱、基于边缘云计算的智能视频识别等前沿技术的总体架构、实现方法进行了案例分析。     

改进GA优化BP神经网络的短时交通流预测

为了提高BP神经网络预测模型对短时交通流的预测准确性,文章提出了一种基于改进遗传算法优化BP神经网络的短时交通流预测方法。由于模拟退火算法具有较强的局部搜索能力,能够在搜索过程中避免陷入局部最优解,因此引入模拟退火算法中的Metropolis接受准则来增加遗传算法的局部搜索能力,避免了遗传算法过早收敛和陷入局部最优解。通过改进的遗传算法优化BP神经网络的权值和阈值,然后训练BP神经网络预测模型以求得最优解。仿真结果表明,该方法对短时交通流预测具有较好的预测精确性。     

社会责任认证对我国纺织企业国际竞争力的影响研究

基于环境和社会责任的非关税壁垒已越来越多地被发达国家、跨国公司所采用。我国纺织企业应积极应对社会责任认证对企业竞争力的影响。从短期来看,社会责任认证有可能降低我国纺织企业的低成本竞争优势,但从长远来看,社会责任认证会提高我国纺织企业国际竞争力。