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31.
给定一个图G,且满足min{d(u)+d(v)u,u∈E(G)}≥8.有下结论若C是G中的圈且满足dc(u,v)=d(u,υ),(A){u,v}(∈)V(C).当任一这样的圈C的长度不超过△(G)+1时,线圈L(G)是次泛圈的且所给的条件都是最好可能的.  相似文献   
32.
微生物可应用于不对称合成中,微生物法具有光学纯度高,环境污染少,成本低等优点,对一些具有生物活性的化合物的合成具有独到的作用。探讨了微生物中的酶在β-酮酸酯立体专一性还原反应中的作用机理。  相似文献   
33.
    
In this study,commercial copper (Cu) foil and Cu foam are used as the working electrodes to systematically investigate the electrochemical deposition and dissol...  相似文献   
34.
The complex species of UO2(HA)(H2A)+ and UO2(HA)2 were identified in the ascorbic acid solution of uranyl ion at pH<2.1 and pH>2.1, respectively. Polarographic wave was proved to be the simultaneous reduction of UO2+2 and UO2(HA)(H2A)+ at pH <2.1. However, at pH>2.1, the wave is due to the reduction of U02(HA)2 The stability constants of the two complex species were found to be 5.1×10+ and 1.0×105, respectively. The hydrolysis constant of uranyl ion in the solution of ascorbic acid was determined.  相似文献   
35.
    
Six new O-alkyldithiophosphate nickel complexes with dcpf ligand, [(dcpf)Ni(S2P{O}OR)] (dcpf = 1,1′-bis (dicyclohexylphosphino)ferrocene, R = CH3 ( 1 ), CH3CH2 ( 2 ), Ph ( 3 ), 4-MeC6H4 ( 4 ), PhCH2 ( 5 ) and PhCH2CH2 ( 6 )), have been synthesized by the treatment of dcpf with ((RO)2PS2)2Ni in satisfactory yields. These complexes were characterized by elemental analysis, spectroscopy (FTIR, UV–vis, 1H, 13C, and 31P NMR), thermogravimetric analysis and single crystal X-ray diffraction. The nickel atom in 1 , 2 ·CH2Cl2, 3 ·CH2Cl2, 4 ·2CH2Cl2·THF, and 2( 5 )·hexane adopts a slightly distorted square-planar coordination environment finished by two phosphorus atoms of dcpf ligand and two sulfur atoms of O-alkyldithiophosphate ligand. Furthermore, the electrochemical properties for complexes 1 – 6 were also investigated by cyclic voltammetry. With the addition of 120 mM trifluoroacetic acid (TFA), the turnover frequency (TOF) values for 1 – 6 are estimated to be 1243.83, 1046.54, 1331.71, 2545.29, 1899.03, and 1191.37 s−1, with the overpotential (η) values of 0.62, 0.58, 0.71, 0.67, 0.60, and 0.56 V, respectively. The result of electrochemical studies indicates that all complexes can be used as efficient molecular eletrocatalysts for the reduction of protons to hydrogen in the presence of TFA in MeCN.  相似文献   
36.
    
Antibiotic resistant infections are projected to cause over 10 million deaths by 2050, yet the development of new antibiotics has slowed. This points to an urgent need for methodologies for the rapid development of antibiotics against emerging drug resistant pathogens. We report on a generalizable combined computational and synthetic approach, called antibody-recruiting protein-catalyzed capture agents (AR-PCCs), to address this challenge. We applied the combinatorial protein catalyzed capture agent (PCC) technology to identify macrocyclic peptide ligands against highly conserved surface protein epitopes of carbapenem-resistant Klebsiella pneumoniae, an opportunistic Gram-negative pathogen with drug resistant strains. Multi-omic data combined with bioinformatic analyses identified epitopes of the highly expressed MrkA surface protein of K. pneumoniae for targeting in PCC screens. The top-performing ligand exhibited high-affinity (EC50 ∼50 nM) to full-length MrkA, and selectively bound to MrkA-expressing K. pneumoniae, but not to other pathogenic bacterial species. AR-PCCs that bear a hapten moiety promoted antibody recruitment to K. pneumoniae, leading to enhanced phagocytosis and phagocytic killing by macrophages. The rapid development of this highly targeted antibiotic implies that the integrated computational and synthetic toolkit described here can be used for the accelerated production of antibiotics against drug resistant bacteria.

Antibody-recruiting protein-catalyzed capture agent (AR-PCCs) are a new class of all-synthetic and highly targeted antibiotics that recruit endogenous immune responses to eliminate drug-resistant microbes.  相似文献   
37.
赖伍江 《结构化学》1993,12(6):455-462
提出了CO在助促和非助促的铜基催化剂上吸附活化的两种活性中心原子族模型Cu_5和Cu_4M~(n+)O。应用电荷自洽离散变分X_a近似计算方法对CO在这两种模型上活化本质,并对过渡金属助催剂离子M~(n+)(从ⅣA—ⅧA族中各选一个V~(3+),Ti~(3+),Fe~(3+),Mn~(2+),Mo~(4+))与合成甲醇铜基催化剂上金属铜原子相互作用的本质及其对CO活化的效应进行量子化学研究。计算表明CO是以碳端吸附在活性中心模型Cu_4M~(n+)O中的Cu(1)原子上,并向助催剂M~(n+)离子倾斜45°。从吸附态CO—Cu_5和CO—Cu_4M~(n+)O的原子簇轨道,态密度以及C—O间重选集居数的计算结果指出,CO分子受到活化。助催剂与催化剂中铜原子间相互作用影响了铜原子的价态,改变体系E_f能级,改善了前线轨道HOMO与CO 2π~*轨道的匹配,从而增加d电子的反馈,降低CO间的重选集居数,促进了CO的活化。  相似文献   
38.
The isolation and identification of eleven crystalline components from the aerial part of Cynanchum taiwanianum Yamazaki (Asclepiadaceae) are described. Their structures were determined on the basis of spectral evidence and chemical transformation. Besides caffeic acid, β-amyrin, and methyl phaeophorbide a, the isolated flavonoid components are classified into two groups, i.e. kaempferol derivatives (kaempferol, astragalin, afzelin, trifolin) and quercetin derivatives (quercetin, isoquercitrin, quercitrin, hyperin).  相似文献   
39.
A series of semi-aromatic poly(ether-ester)s containing cinnamic group was prepared from 4,4′-diacrylic acid-α,ω-phenoxyalkanes with diols in the presence of diphenylchlorophosphate (DPCP) and pyridine as a catalyst and solvent. The phase behavior of these polymers was studied by differential scanning calorimetry (DSC), optical polarizing microscopy equipped with a heating stage, and wide-angle x-ray diffraction (WAXD). All of the poly(ether-ester)s, except P3 , show nematic or smectic thermotropic liquid crystalline behaviour under optical polarizing microscopic observation. These polymers can undergo photocrosslinking reaction upon heating, as examined by IR, solubility, and DSC analysis. © 1993 John Wiley & Sons, Inc.  相似文献   
40.
Diphenyldichalcogenides (PhE)2 (E = Te, Se) react with Fe(0)-phenylchalcogenolate [PPN] [PhEFe(CO)4] to yield the products of oxidative addition, Fe(II)-mixed-phenylchalcogenolate fac- [PPN][Fe(CO)3(TePh)n(ScPh)3-n] (n = 1, 2). Reactions of [PPN][REFe(CO)4] (E=Se, R=Me; E=S, R=Et) and diphenyldichalcogenides yielded ligand-exchange products [PPN][PhEFe(CO)4] (E=Te, Se, S). The compounds [Fe(CO)3(TePh)(ScPh)2]? (l) and [Fe(CO)3(TePh)2 (2) crystallize in the isomorphous monoclinic space group C2/e, with a = 32.035(8), b = 11.708(6), c = 28.909(6) Å, Z = 8, R = 0.048, and Rw = 0.044 (1); with a = 32.089(5), b= 11.745(2), c = 28.990(8) Å, Z = 8, R = 0.048, and Rw = 0.048 (2). The complexes 1 and 2 crystallize as discrete cations of PPN+ and anions of [Fe(CO)3(TcPh)u(ScPh)3-n] (n=1, 2), and one half solvent molecule THF. The geometry around Fe(II) is a distorted octahedron with three carbonyl groups and three phenylchalcogenolate ligands occupying facial positions.  相似文献   
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