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The significance of BmK CT, a key chlorotoxin-like peptide isolated from the scorpion venom of Buthus martensii Karsch, is a novel blocker of the chloride ion channel and matrix metalloproteinase-2 (MMP-2). Site-directed mutagenesis of BmK CT, wound healing assay, gelatin zymography assay and computational simulation highlight the importance of(More)
After the discovery of fullerene-C60, it took almost two decades for the possibility of boron-based fullerene structures to be considered. So far, there has been no experimental evidence for these nanostructures, in spite of the progress made in theoretical investigations of their structure and bonding. Here we report the observation, by photoelectron(More)
A new Cu(II) complex of CuLCl(2) (here, L=N(1),N(8)-bis(1-methyl-4-nitropyrrole-2- carbonyl)triethylenetetramine) had been synthesized and characterized. The structure of the complex was investigated with density functional theory (DFT) calculations. DNA-binding of the Cu(II) complex and its effects on tumor cell viability were firstly studied. The(More)
We report an extensive density-functional theory and coupled-cluster CCSD(T) study on boron dihydride dianion clusters BnH2(2-) (n = 6-22) and their dilithiated Li2BnH2(0/-) salt complexes. Double-chain (DC) planar nanoribbon structures are confirmed as the global minima for the BnH2(2-) (n = 6-22) clusters. Charging proves to be an effective mechanism to(More)
Based upon comprehensive theoretical investigations and known experimental observations, we predict the existence of the double-chain planar D(2h) B(4)H(2)(1), C(2h) B(8)H(2)(3), and C(2h) B(12)H(2)(5) which appear to be the lowest-lying isomers of the systems at the density functional theory level. These conjugated aromatic borenes turn out to be the boron(More)
OBJECTIVE To observe the efficacy of umbilical cord mesenchymal stem cells (UC-MSCs) transplantation for the patients with refractory systemic lupus erythematosus (SLE). METHODS Thirty seven patients with SLE were enrolled in this study, and divided into conventional treatment group (control group, n = 20) and UC-MSCS adjuvant treatment group (treatment(More)
Ab initio and DFT calculations have been carried out to search for the simplest neutral singlet species with double planar tetracoordinate carbons (dptCs) [the "simplest" means the species containing the least number (six) and types (two) of atoms]. Under the restrictions to the possible models (M1-M4) with dptCs and to the singlet electronic states, the(More)
Bifunctional strategy, including efficiently utilizing valence electrons and offering steric protection, has been proposed to advance C(2)Al(4) global minimum with double planar tetracoordinate carbons (ptC) to a new family of ptC molecules which could be promising for synthetic realization.
Using density functional calculations, we demonstrate that the planarity of the nonclassical planar tetracoordinate carbon (ptC) arrangement can be utilized to construct new families of flat, tubular, and cage molecules which are geometrically akin to graphenes, carbon nanotubes, and fullerenes but have fundamentally different chemical bonds. These(More)
Chemical bonding is at the heart of chemistry. Recent work on high bond orders between homonuclear transition metal atoms has led to ultrashort metal-metal (TM-TM) distances defined as dM-M <1.900 Å. The present work is a computational design and characterization of novel main group species containing ultrashort metal-metal distances (1.728-1.866 Å) between(More)