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81.
82.
Xin-Rui Wang Hui-Min Cheng Xue-Wei Gao Wei Zhou Shu-Jing Li Xue-Li Cao Dongpeng Yan 《中国化学快报》2019,30(4):919-923
The inhibitor of melanin and the bacteriostatic agent kojic acid was inserted into Zn-Ti layered double hydroxide (LDH) by anion-exchange reaction. The structure, slow release, antibacterial and skin whitening activity were studied. 相似文献
83.
The potential energy profiles for proton-transfer reactions of 2-hydroxypyridine and its complexes with water were determined by MP2, CASSCF and MR-CI calculations with the 6-31G** basis set. The tautomerization reaction between 2-hydroxypyridine (2HP) and 2-pyridone (2PY) does not take place at room temperature because of a barrier of approximately 35 kcal/mol for the ground-state pathway. The water-catalyzed enol-keto tautomerization reactions in the ground state proceed easily through the concerted proton transfer, especially for the two-water complex. The S1 tautomerization between the 2HP and 2PY monomers has a barrier of 18.4 kcal/mol, which is reduced to 5.6 kcal/mol for the one-water complex and 6.4 kcal/mol for the two-water complex. The results reported here predict that the photoinduced tautomerization reaction between the enol and keto forms involves a cyclic transition state having one or two water molecules as a bridge. 相似文献
84.
手性环丙烷类衍生物双水解转换的研究 总被引:3,自引:0,他引:3
具有四个新手性中心的螺环/环丙烷类化合物4在丙酮-12%HCl溶液中50℃下 发生双手性辅基-双水解转换反应,得到了手性环丙烷/双半缩醛类化合物,螺 [1-溴-4-羟基-5-氧杂-6-氧代双环[3.1.0]己烷-2,2′-(3′-亲核氧基- 4′-羟基丁内酯)](5),化学产率65%-79%,光学纯度ee≥98。通过元素分 析,[a]D^20,UV,IR,^1H NMR,^13C NMR,MS以及X射线四圆衍射测定,确认了它们的 化学结构、立体化学和绝对构型。该双半缩醛类化合物的合成方法学研究可为官能 团的转换,为某些复杂结构的手性化合物提供新的合成方法和途径。 相似文献
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87.
Zhou YanXia Tan HongWei Yang ZuoYin Jia ZongChao Liu RuoZhuang Chen GuangJu 《中国科学B辑(英文版)》2007,50(2):266-271
The insect spruce budworm(Choristoneura fumiferana) produces antifreeze protein(AFP) to assist in the protection of the over-wintering larval stage and contains multiple isoforms. Structures for two isoforms,known as CfAFP-501 and CfAFP-337,show that both possess similar left-handed β-helical structure,although thermal hysteresis activity of the longer isoform CfAFP-501 is three times that of CfAFP-337. The markedly enhanced activity of CfAFP-501 is not proportional to,and cannot be simply accounted for,by the increased ice-binding site resulting from the two extra coils in CfAFP-501. In or-der to investigate the molecular basis for the activity difference and gain better understanding of AFPs in general,we have employed several different computational methods to systematically study the structural properties and ice interactions of the AFPs and their deletion models. In the context of intact AFPs,a majority of the coils in CfAFP-501 has better ice interaction and causes stronger ice lattice disruption than CfAFP-337,strongly suggesting a cooperative or synergistic effect among β-helical coils. The synergistic effect would play a critical role and make significant contributions to the anti-freeze activity β-helical antifreeze proteins. This is the first time that synergistic effect and its implica-tion for antifreeze activity are reported for β-helical antifreeze proteins. 相似文献
88.
The self-assembly of a novel series of donor-acceptor interaction-driven artificial hetero-duplexes in organic media has been described. Four linear compounds 1a-1d, bearing two to five electron rich 1,5-dioxynaphthalene units connected by the tetra(ethylene glycol) linker, respectively, have been prepared and used as donors, while eight compounds 2a-2d, 13-16, bearing one to four electron deficient pyromellitic diimide, 1,4,5,8-naphthalene-tetracarboxydiimide, or perylene-3,4,9,10-tetracarboxydiimide units, respectively, have been used as acceptors. The structure of the hetero-duplexes has been characterized by the 1H NMR, UV-vis spectroscopy and vapor pressure osmometry. It is revealed that the binding stability of the duplexes vary greatly, depending on the length and structure of the monomers and also the solvent, and hetero-duplex 1d·2d displays a maximum association constant of ca. 1.0×104 M−1 in chloroform. 相似文献
89.
Synthesis and Crystal Structure of the Copper Complex of 7,16-Bis(2-hyd roxy-5-met hylbenzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane 总被引:1,自引:0,他引:1
A lariat crown ether ligand 7,16-bis (2-hydroxy-5-methylbenzyl)- 1,4,10,13-tetraoxa-7,16-diazacyclooctadeeane (L1) has been prepared via one-pot Mannich reaction. Its copper(Ⅱ) complex Cu-L1 was synthesized and characterized by elemental analysis, IR and UV-visible spectroscopy. The crystal structure of the complex has been determined by X-ray diffraction analysis. The result shows that the copper(Ⅱ) ion is six-coordinated by two nitrogen and four oxygen atoms, two from the crown ether and the other two from the deprotonated phenolate anions, forming an elongated octahedral complex. Electrochemical study indicates that the complex undergoes reversible reduction in DMF solution. 相似文献
90.
A new direct procedure for the determination of inorganic arsenic species was developed by electrochemical hydride generation atomic absorption spectrometry (EcHG-AAS) with selective electrochemical reduction. The determination of inorganic arsenic species is based on the fact that As(Ⅲ) shows significantly higher absorbance at low electrolytic currents than As(Ⅴ) in 0.3 mol·L^-1 H2SO4. The electrolytic current used for the determination of As(Ⅲ) without considerable interferences of As(Ⅴ) was 0.4 A, whereas the current for the determination of As(Ⅲ) and As(Ⅴ) was 1.2 A. For equal concentrations of As(Ⅲ) and As(Ⅴ) in a sample, the interferences of As(Ⅴ) during the As(Ⅲ) determination were smaller than 5%. The absorbance for As(Ⅴ) could be calculated by subtracting that for As(Ⅲ) measured at 0.4 A from the total absorbance for As(Ⅲ) and As(Ⅴ) measured at 1.2 A, and then the concentration of As(Ⅴ) can be obtained by its calibration curve at 1.2 A. The methodology developed provided the detection limits of 0.3 and 0.6 ng·mL^-1 for As(Ⅲ) and As(Ⅴ), respectively. The relative standard deviations were of 3.5% for 20 ng·mL^-1 As(Ⅲ) and 3.2% for 20 ng·mL^-1 As(Ⅴ). The method was successfully applied to determination of soluble inorganic arsenic species in Chinese medicine. 相似文献