Zinc-based cyclens containing pyridine and cross-bridges: X-ray and DFT structures, Lewis acidity, gas-phase acidity, and p K a values [0.03%]
含吡啶和桥连的环糊精类锌配位化合物：X射线和DFT结构，路易斯酸性，气相酸性和pK_a值
Douglas P Linder,Blake Vinson,Rylee Parks et al.
Douglas P Linder et al.
It is well known that catalytic centers containing the zinc(II) ion can act as both Lewis and Bronsted-Lowry acids. In addition to coordination number, the Zn coordination geometry can also strongly impact the acidity of the active site, no...
Synthesis, Solid State Molecular Structure, and Cyclic Voltammetry of a Ruthenium Nitrosyl Porphyrin with a Nitrosonaphthol Ligand [0.03%]
含硝基萘酚配体钌硝基卟啉的合成、晶体结构和电化学行为
Nan Xu,Emily Suchta,Michael J Shaw et al.
Nan Xu et al.
Nitrosonaphthols belong to the class of C-nitroso compounds, having an additional hydroxyl group on the naphthalene ring. Their coordination chemistry is rich due to the presence of both nitroso and hydroxyl groups. Despite the various bind...
Twelve CO molecules for the price of one. A simple water-soluble organometallic CORM, [Mn(CO)3(μ3-OH)]4 [0.03%]
一价一 dozen 个 CO 。一种简单的水溶性金属羰基化合物 ([Mn(CO)3(μ3-OH)]4)
David C Lacy,David E Heppner,Brian Buckley et al.
David C Lacy et al.
The tetramer [Mn(CO)3(μ3-OH)]4 (1) forms hydrogen bonded adducts with a variety of molecules. Most commonly, these are 1···aromatic hydrocarbon adducts obtained from synthesis and purification, and these adducts are insoluble in water. ...
A hemilabile diphosphine pyridine pincer ligand: σ- and π-binding in molybdenum coordination complexes [0.03%]
一种半键合的双膦吡啶钳形配体：配合物中σ和π成键行为的研究（钼）
Ruomeng Wan,Joshua A Buss,Kyle T Horak et al.
Ruomeng Wan et al.
A series of molybdenum compounds supported by a hemilabile pyridine diphosphine pincer ligand have been synthesized. The ligand demonstrates variable binding modes, adapting to the electronic and geometric requirements of the metal center. ...
Zhiyao Lu,Debanjan Mitra,Sri R Narayan et al.
Zhiyao Lu et al.
The oxygen evolution reaction (OER) of water splitting is essential to electrochemical energy storage applications. While nickel electrodes are widely available heterogeneous OER catalysts, homogeneous nickel catalysts for OER are underexpl...
Molly M Lockart,Kyle C Edwards,John B Vincent et al.
Molly M Lockart et al.
An EPR signal for Mn(III) bound to the metal transport protein transferrin has been detected for the first time. The temperature dependence and simulations of the EPR signal are consistent with the Mn(III) centers being six-coordinate in an...
Molecular docking with SARS-CoV-2 and potential drug property of a bioactive novel Zn(II) polymer: A combined experimental and theoretical study [0.03%]
结合实验和理论研究的SARS-CoV-2分子对接及具有生物活性的新颖Zn(II)聚合物潜在药性属性探究
Swah Mohd Nashre-Ul-Islam,Kamala Kanta Borah,Muhammad Asam Raza et al.
Swah Mohd Nashre-Ul-Islam et al.
A new Zn(II) coordination polymer based on o-phthalato (Phth) and 2-aminopyridine (2-Ampy) viz. {[Zn(2-Ampy)2(Phth)]∙(H2O)]}n (1) has been synthesized at room temperature and characterized by elemental analyses, electronic spectroscopy, FT...
Synthesis and Functionalization Reactivity of Fe-Thiocarbonyl and Thiocarbyne Complexes [0.03%]
硫羰铁和硫卡宾复合物的合成与官能化反应性研究
Meaghan M Deegan,Jonas C Peters
Meaghan M Deegan
The remarkable catalytic transformation of CO to liquid hydrocarbons by Fe and Co catalysts in the industrial Fischer-Tropsch process motivates interest in developing well-defined systems to model aspects of this chemistry. One of the most ...
Synthesis, characterized, QSAR studies and molecular docking of some phosphonates as COVID-19 inhibitors [0.03%]
磷酸盐的合成、表征、QSAR研究及分子对接（作为COVID-19抑制剂）
Khodayar Gholivand,Azam Barzegari,Fahimeh Mohammadpanah et al.
Khodayar Gholivand et al.
The global coronavirus (COVID-19) outbreak has prompted scientists to discover a cure for the disease. So far, phosphorus-based drugs have been proposed. These drugs have good inhibitory activity against the main protease (Mpro). Hence, in ...
Synthesis and crystal structures of new mixed-ligand schiff base complexes containing N-donor heterocyclic co-ligands: Molecular docking and pharmacophore modeling studies on the main proteases of SARS-CoV-2 virus (COVID-19 disease) [0.03%]
含N给电子杂环共配体的新席夫碱混配金属配合物的合成与晶体结构：针对SARS-CoV-2病毒主要蛋白酶的分子对接及药效团研究
Liana Ghasemi,Maryam Hasanzadeh Esfahani,Alireza Abbasi et al.
Liana Ghasemi et al.
Three new mixed-ligand copper(II) complexes (1-3) with NN'O type unsymmetrical tridentate Schiff base ligands (SB) and N-donor heterocyclic co-ligands, with general formula [Cu(SB)(L)]ClO4, were synthesized and characterized using single cr...