Recent progress in separation prediction of counter‐current chromatography

As a liquid‐liquid partition chromatography, counter‐current chromatography has advantages in large sample loading capacity without irreversible adsorption, which has been widely applied in separation and purification fields. The main factors, including partition coefficient, two‐phase solvent systems, apparatus, and operating parameters greatly affect the separation process of counter‐current chromatography. To promote the applications of counter‐current chromatography, it is essential to develop theoretical research to master the principles of counter‐current chromatographic separations so as to achieve predictions before laborious trials. In this article, recent progress about separation prediction methods are reviewed from a point of the steady and unsteady state of the mass transfer process of counter‐current chromatography and its mass transfer characteristics, and then it is divided into three aspects: prediction of partition coefficient, modeling the thermodynamic process of counter‐current chromatography, and modeling the dynamic process of counter‐current chromatography.     

Synthesis,Characterization and Biological Evaluation of New 3,5-Disubstituted-Pyrazoline Derivatives as Potential Anti-Mycobacterium tuberculosis H37Ra Compounds

A total of fourteen pyrazoline derivatives were synthesized through cyclo-condensation reactions by chalcone derivatives with different types of semicarbazide. These compounds were characterized by IR, 1D-NMR (¹H, ¹³C and Distortionless Enhancement by Polarization Transfer - DEPT-135) and 2D-NMR (COSY, HSQC and HMBC) as well as mass spectroscopy analysis (HRMS). The synthesized compounds were tested for their antituberculosis activity against Mycobacterium tuberculosis H37Ra in vitro. Based on this activity, compound 4a showed the most potent inhibitory activity, with a minimum inhibitory concentration (MIC) value of 17 μM. In addition, six other synthesized compounds, 5a and 5c–5g, exhibited moderate activity, with MIC ranges between 60 μM to 140 μM. Compound 4a showed good bactericidal activity with a minimum bactericidal concentration (MBC) value of 34 μM against Mycobacterium tuberculosis H37Ra. Molecular docking studies for compound 4a on alpha-sterol demethylase was done to understand and explore ligand–receptor interactions, and to hypothesize potential refinements for the compound.     

N-[2,6-二氯-4-(1,2,4-噁二唑-3-基)苯基]-2-甲氧基烟酰胺的合成、晶体结构及抗肿瘤活性研究

报道一种新型1,2,4-噁二唑衍生物,N-[2,6-二氯-4-(1,2,4-噁二唑-3-基)苯基]-2-甲氧基烟酰胺（C15H10Cl2N4O3）的合成,其结构通过1H NMR、13C NMR、HRMS以及X-射线单晶衍射进行表征。该晶体结构属于三斜晶系, P 1(—) 空间群,晶胞参数 a = 7.1291 (9), b = 8.4352 (10), c = 14.0021 (18) ?, α = 73.834 (3), β = 77.407 (3), γ = 70.019 (3)°, Mr = 366.18, V = 752.97 (16) ?3, Z = 2, Dc = 1.611 g/cm3, μ(MoKα) = 0.454 mm-1, F(000) = 372.0 , 晶体尺寸为 0.36 × 0.2 × 0.1 mm,Rint = 0.023。初步活性研究发现,该化合物对LoVo, A549, SK-BR-3, HeLa这四种肿瘤细胞株具有明显的抑制作用,尤其是对HeLa细胞的抑制活性与阳性药物5-氟尿嘧啶 (5-FU)相当。     

Bi2WO6基光催化剂在环境和能源领域的最新研究进展

随着全球经济的快速发展与人口的日益膨胀,随之而来的能源消耗与环境污染也日益成为一个严峻的挑战.半导体光催化技术能够将低密度的太阳能转化为高密度的化学能,此外它能够通过产生活性自由基来降解空气或水中的污染物,因此在解决上述问题中具有巨大潜力,被认为是有着广阔前景的绿色无污染的能源转化和环境修复手段.在过去几十年的研究中,一些光催化剂表现出了较好的光催化活性,如TiO2和ZnO等.然而,由于它们的宽带隙,仅仅在紫外光下具有活性,这极大地限制了其对太阳光的利用.为了尽可能地利用太阳能,研究者们开发了许多具有可见光活性的光催化剂.钨酸铋(Bi2WO6)作为一种典型的Aurivillius层状钙钛矿材料,因具有独特的层状结构、良好的可见光催化活性、高的热稳定性和光化学稳定性及环境友好性等特点而备受关注.然而,有限的光吸收和光生载流子的快速复合阻碍了Bi2WO6光催化性能的进一步提高.因此,研究者们进行了大量的研究,致力于进一步增强Bi2WO6光催化剂的活性.本文对Bi2WO6基光催化剂的最新研究进展进行了系统综述.首先介绍了Bi2WO6的晶体结构、光学性质和光催化基本原理.然后,基于Bi2WO6的改性策略,包括形貌控制、原子调控和复合材料制备,重点讨论了Bi2WO6在水分解、污染物处理、空气净化、杀菌消毒、二氧化碳还原、选择性有机合成等领域的光催化应用.最后,对Bi2WO6基光催化剂当前面临的挑战和未来的发展作了展望和总结,提出了Bi2WO6光催化剂未来的一些研究方向,包括(1)大规模、精确可控地合成Bi2WO6,特别是高活性晶面、多孔结构和量子点的设计;(2)精确调控原子位置,利用先进的技术手段进一步揭示活性位点上的光催化过程;(3)发展原位表征技术来观察复合光催化剂的界面电荷动力学以及开发新型Bi2WO6基复合体系.(4)通过机械应力、温度梯度以及电场等外场的耦合提高Bi2WO6的光催化性能;(5)进一步深入研究Bi2WO6在不同领域的光催化应用,特别是在肿瘤治疗和太阳能燃料制备方面,一些新的应用如固氮等也值得探索.期望本综述能够为Bi2WO6和其他高效光催化材料的设计提供一些指导和帮助.     

Preparation and electroluminescent application of iridium(III) complexes containing sulfur-containing phenylpyridazine ligands

Transition Metal Chemistry - Four iridium(III) complexes (1–4) with sulfur-containing phenylpyridazine ligands were successfully synthesized and characterized. The structure of complex 3 was...     

Preparation and electrochemical sensing performances toward bromate and Cr(VI) of two γ-octamolybdate-based complexes decorated by in situ transformation ligand

Transition Metal Chemistry - Two octamolybdate-based complexes formulated by [M2(H2O)4(γ-Mo8O26)(HDIBA)2]·H2O [M?=?Co (1), Zn (2),...     

基于元素指纹的白术产地溯源及其与土壤的相关性研究

本研究主要采用电感耦合等离子体质谱仪(ICP-MS)等手段测定5个产地白术41种矿质元素含量和土壤41种化学成分指标, 结合聚类分析法、偏最小二乘判别分析(PLS-DA)法和Pearson相关性分析研究了不同产区白术矿质元素特征以及不同产区土壤因子的差异, 并对它们的相关性进行了探讨. 结果表明, 采用无监督的聚类分析和有监督的PLS-DA均能正确判别不同产地的白术和土壤, 其中稀土元素在浙江白术与土壤间呈正相关. 另外, Li、V、Mn、Co、Cu、Rb、Cd、Cs、Ba等微量元素是白术产地溯源的关键因素. 研究发现在白术生产实践中可以通过适量控制种植地的土壤湿度、增施特定肥料等措施调控白术矿质元素含量. 本研究将为解释道地白术的品质形成机制, 保证白术药效质量的有效性提供一定帮助.     

Plastic surface strain mapping of bent sheets by image correlation

A technique using a single CCD camera, a precision rotation/translation stage, a telecentric zoom lens, and digital image correlation software is described for measuring surface profiles and surface plastic strain distributions of a bent thin sheet. The measurement principles, based on both parallel and pinhole perspective projections, are outlined and the relevant mathematical equations for computing the profiles and displacement fields on a curved surface are presented. The typical optical setup as well as the experimental measurement and digital image correlation analysis procedure are described. The maximum errors in the in-plane and out-of-plane coordinates or displacements are about ±5 and ±25 μm, respectively, and the maximum errors in surface strain mapping are about 0.1% or less based on a series of evaluation tests on flat and curved sample surfaces over a physical field of view of 15.2 × 11.4 mm². As an application example, the shape and surface plastic strain distribution example, the shape and surface plastic strain distributions around a bent apex of a flat 2 mm thick automotive aluminum AA5182-O sheet, which underwent a 90° bend with three bend ratios of 2t, 1t, and 0.6t, are determined using the proposed technique.     

A GEOMETRIC THEORY IN INVESTIGATION ON MODE LOCALIZATION AND FREQUENCY LOCI VEERING PHENOMENA

According to the mapping theory in complex plane,the geometric features of eigen fre-quency loci of systems undergoing free vibrations are investigated.It is concluded that the phenomenaof curve coalescence and veering can be described in a unified manner from the singularities of map-ping from the complex parameter plane onto the complex frequency plane.The formation of a branchpoint in the parameter space is the foundation of explaining localization and veering phenornena.Bythe use of condensation to reduce the dimension of a system,the scope of application of the geometrictheory is widely expanded.The theory is applied to examples to verify the validity of the proposed ap-proach.The present work is an improvement and extension of recent work by M.S.Traintafyllou etal.,