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991.
Li the past decade, the reactivity of carbon containing confounds with single crystal silicon surfaces has received extensive attention from both experimental and theoretical sides owing to its compact relevance to the growth of silicon carbide and diamond films. While considerable interest has been focused on the adsorptions of alkenes, alkanes and some other small organic molecules[1], very few experiments[2,3] can be found in the literature regarding the adsorption of CO2,a greenhouse gas, on Si surfaces. We report herein the results of our recent theoretical study concerning CO2 adsorption on the reconstructed Si(100)-2×l surface. The methods employed in our calculations are the hybrid density functional B3LYP method and a two-layer ONIOM (CCSD(T):B3LYP) approach[4]. 相似文献
992.
993.
由溶剂热法合成了 2 个锰的超分子配合物[Mn2(2,2''-bipy)4(H2O)Cl3](L1)·6H2O (1)和[Mn(2,2''-bipy)2(H2O)Cl](L2)·3H2O (2)(L1-=对甲基苯磺酸根,L2-=间硝基苯磺酸根,2,2''-bipy=2,2''-联吡啶),并用单晶X射线衍射、红外光谱、热重分析和氮气吸附-脱附测试对其进行了表征。以Mannich反应为探针,研究了2种配合物的催化性能,并通过对比2种配合物的扫描电镜和粉末X射线衍射表征结果,分析了配合物结构对其催化性能的影响。最后通过密度泛函理论预测了配合物的活性位点,利用X射线光电子能谱证明了活性位点的活化作用,进而阐述了配合物催化Mannich反应的机理。 相似文献
994.
Dr. Pengyang Xin Linqi Xu Wenpei Dong Linlin Mao Prof. Jingjing Guo Dr. Jingjing Bi Dr. Shouwei Zhang Yan Pei Prof. Chang-Po Chen 《Angewandte Chemie (International ed. in English)》2023,62(8):e202217859
Different types of natural K+ channels share similar core modules and cation permeability characteristics. In this study, we have developed novel artificial K+ channels by rebuilding the core modules of natural K+ channels in artificial systems. All the channels displayed high selectivity for K+ over Na+ and exhibited a selectivity sequence of K+≈Rb+ during the transport process, which is highly consistent with the cation permeability characteristics of natural K+ channels. More importantly, these artificial channels could be efficiently inserted into cell membranes and mediate the transmembrane transport of K+, disrupting the cellular K+ homeostasis and eventually triggering the apoptosis of cells. These findings demonstrate that, by rebuilding the core modules of natural K+ channels in artificial systems, the structures, transport behaviors, and physiological functions of natural K+ channels can be mimicked in synthetic channels. 相似文献
995.
Ultrafast and selective labeling of endogenous proteins using affinity-based benzotriazole chemistry
Xiaoyi Xin Yu Zhang Massimiliano Gaetani Susanna L. Lundstrm Roman A. Zubarev Yuan Zhou Dale P. Corkery Yao-Wen Wu 《Chemical science》2022,13(24):7240
Chemical modification of proteins is enormously useful for characterizing protein function in complex biological systems and for drug development. Selective labeling of native or endogenous proteins is challenging owing to the existence of distinct functional groups in proteins and in living systems. Chemistry for rapid and selective labeling of proteins remains in high demand. Here we have developed novel affinity labeling probes using benzotriazole (BTA) chemistry. We showed that affinity-based BTA probes selectively and covalently label a lysine residue in the vicinity of the ligand binding site of a target protein with a reaction half-time of 28 s. The reaction rate constant is comparable to the fastest biorthogonal chemistry. This approach was used to selectively label different cytosolic and membrane proteins in vitro and in live cells. BTA chemistry could be widely useful for labeling of native/endogenous proteins, target identification and development of covalent inhibitors.Affinity-based benzotriazole (BTA) probes selectively and covalently label native proteins or endogenous proteins in cells with a fast reaction rate. It is enormously useful for characterizing protein function in biological systems and for drug development. 相似文献
996.
用简便方法制备得载溴树脂并用于酚类的溴化,当采用不同摩尔比的载溴树脂时,有选择地得到一溴、二溴及三溴代物,并有较高的产率,同时该树脂具有良好的稳定性。 相似文献
997.
镍基甲烷化催化剂中的助剂作用 Ⅱ重稀土氧化物添加剂的结构效应和电子效应 总被引:1,自引:0,他引:1
应用BET、气相色谱、红外光谱、竞争加氢反应和XPS等方法,在以前工作的基础上继续考察了Y2O3、Sm2O3、Eu2O3、Gd2O3、Tb4O7、Dy2O3、Er2O3、Tm2O3、Yb2O3作为添加剂,对镍在γ-Al2O3表面的分散度、甲烷化活性、CO在镍上的吸附态及表面镍原子的电子状态的影响.结果表明,稀土氧化物添加剂不仅明显地提高了金属镍的分散度和甲烷化活性,还直接地影响表面镍原子的电子状态.对不同稀土氧化物,这些效应各异.作者认为,利用稀土氧化物添加剂调节表面镍原子的电子状态,可能成为改进甲烷化催化剂活性的一个有效途径. 相似文献
998.
MacrocyclicarsinousacidestersareusuallypreparedbycondensationofdichloroalkylarsinesRAsCI,Iwithdidsinthepresenceoforganicalkali].ThemethoddescribedhereinvolvesthetransformationofintermediatefromItohis(dimethylamino)alkylarsineRAs(NMe,),2andthereactionof2withdidsindryTHFtoleadtotheformationoftitlecompounds.2canreactsmoothlywithdidsintheabsenceoforganicalkalitogeneratecorrespondingmacrocyclicarsinousacidesters4anddimethylaminewhichescapesfromthereactingsystemasagasinreflux.Althoughonemoreste… 相似文献
999.
Approximately half of the molecular mass of gp120, the receptor-binding envelope protein of human immunodeficiency virus (HIV), consists of N-linked glycans. Nearly half of these glycans are of the high mannose type. These high mannose glycans furnish a rich forest of mannose residues on the virus surface making HIV a prime target for interaction with mannose-specific lectins of the immune system. This review focuses on the known interactions between gp120 and immune system lectins some of which HIV appears to exploit. The effect of variation in glycosylation of gp120, especially with respect to clades of HIV, on binding of immune system lectins is highlighted. 相似文献
1000.