Synthesis, X-ray structure and theoretical investigation of 2-(2’-quinolyl)benzimidazole metal complexes
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Chemical Sciences"
DOI: 10.1007/s12039-016-1210-1
Abstract: AbstractSynthesis, characterization and DFT analysis of 2-(1H-benzo[d]imidazol-2-yl)quinoline (BQ) and its cobalt and manganese coordination compounds {Co(DMF)(BQ) Cl 2} and {Mn(DMF)(BQ) Cl 2} have been described. The ligand, 2-(1H-benzo[d]imidazol-2-yl)quinoline (BQ) crystallizes in non-centrosymmetric monoclinic crystal system… read more here.
Keywords: benzo imidazol; metal; imidazol quinoline; synthesis ray ... See more keywords
X-ray structure of Clostridium perfringens sortase B cysteine transpeptidase.
Sign Up to like & getrecommendations! Published in 2017 at "Biochemical and biophysical research communications"
DOI: 10.1016/j.bbrc.2017.09.144
Abstract: The pathogenesis and infectivity of Gram-positive bacteria are mediated by many surface proteins that are covalently attached to peptidoglycans of the cell wall. The covalent attachment of these proteins is catalyzed by sortases (Srts), a… read more here.
Keywords: sortase cysteine; perfringens sortase; clostridium perfringens; clostridium ... See more keywords
Synthesis, spectroscopic characterization, single crystal X-ray structure and packing analyses of [Cu(temed)(p-nitro-cinnamate)2] and [Cu(temed)(p-methoxy-cinnamate)2]
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2018.06.078
Abstract: Abstract Two new copper(II) complexes; [Cu(temed)(p-nitro-cinnamate)2] (1), [Cu(temed)(p-methoxy-cinnamate)2] (2), where temed = N,N,N′,N'-tetramethylethylenediamine, have been synthesized by reacting appropriate starting materials using methanol-water (4:1 v/v) as solvent at room temperature. Both newly synthesized copper(II) cinnamate complexes have… read more here.
Keywords: cinnamate; temed nitro; cinnamate temed; structure ... See more keywords
Synthesis, Antiviral Potency, in Vitro ADMET, and X-ray Structure of Potent CD4 Mimics as Entry Inhibitors That Target the Phe43 Cavity of HIV-1 gp120.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.7b00179
Abstract: In our attempt to optimize the lead HIV-1 entry antagonist, NBD-11021, we present in this study the rational design and synthesis of 60 new analogues and determination of their antiviral activity in a single-cycle and… read more here.
Keywords: potency; vitro admet; structure; ray structure ... See more keywords
Synthesis, X-ray structure, photophysical properties, and theoretical studies of six-membered cyclometalated iridium(iii) complexes: revisiting Ir(pnbi)2(acac).
Sign Up to like & getrecommendations! Published in 2019 at "Dalton transactions"
DOI: 10.1039/c9dt03392k
Abstract: We have determined the X-ray structure of Ir(pnbi)2(acac) (pnbi = 2-phenanthren-9-yl-1-phenyl-1H-benzimidazole; acac = acetylacetonate), which exhibits a six-membered metallocycle around the Ir center. This result stands in sharp contrast to previously postulated structures of Ir(pnbi)2(acac),… read more here.
Keywords: pnbi; pnbi acac; ray structure; six membered ... See more keywords
Synthesis, X-ray structure and magnetic properties of the apically functionalized monocapped cobalt(II) tris-pyridineoximates possessing SMM behaviour.
Sign Up to like & getrecommendations! Published in 2023 at "Dalton transactions"
DOI: 10.1039/d2dt04073e
Abstract: The title cobalt(II) pseudoclathrochelate complexes possess an intermediate trigonal prismatic-trigonal antiprismatic geometry. As follows from PPMS data, they exhibit an SMM behaviour with Orbach relaxation barriers of approximately 90 K. Paramagnetic NMR experiments confirmed a… read more here.
Keywords: magnetic properties; structure magnetic; synthesis ray; smm behaviour ... See more keywords
Calculating temperature-dependent X-ray structure factors of α-quartz with an extensible Python 3 package
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Applied Crystallography"
DOI: 10.1107/s1600576722005945
Abstract: A Python 3 software package for precise calculation of X-ray structure factors of α-quartz over a wide temperature range is presented. α-Quartz was chosen because of its practical application in high-resolution X-ray spectroscopy, but this… read more here.
Keywords: structure factors; ray; factors quartz; package ... See more keywords
X-ray structure of the Rhodobacter sphaeroides reaction center with an M197 Phe→His substitution clarifies the properties of the mutant complex
Sign Up to like & getrecommendations! Published in 2022 at "IUCrJ"
DOI: 10.1107/s2052252521013178
Abstract: Crystal structures of an F(M197)H mutant form of the photosynthetic reaction center obtained using different techniques clarify the optical and electrochemical properties of the primary electron donor and the increased resistance of this mutant complex… read more here.
Keywords: ray structure; mutant complex; reaction center; structure rhodobacter ... See more keywords
The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges
Sign Up to like & getrecommendations! Published in 2022 at "IUCrJ"
DOI: 10.1107/s2052252522002147
Abstract: Copper Kβ radiation offers some advantages over its Kα counterpart that prove very useful for determining crystal structures in metal–organic framework host–guest systems. read more here.
Keywords: single crystal; benefits radiation; radiation; radiation single ... See more keywords
Synthesis, X-Ray Structure, Hirshfeld Surface Analysis, DFT Calculations, and Molecular Docking Studies of Nickel(II) Complex with Thiosemicarbazone Derivative
Sign Up to like & getrecommendations! Published in 2021 at "Bioinorganic Chemistry and Applications"
DOI: 10.1155/2021/5536902
Abstract: This article presents both experimental and computational study of a new Ni(II) complex, namely, bis{2-(2-trifluoromethylbenzylidene)hydrazine-1-carbothioamido-κ2N2, S}nickel(II) (abbreviate as NiL2). The complex was synthesized and well characterized using various spectroscopic methods. The single X-ray crystallographic study… read more here.
Keywords: hirshfeld surface; dft; synthesis ray; ray structure ... See more keywords
The Role of Different Alkali Metals in the A15Tl27 Type Structure and the Synthesis and X-ray Structure Analysis of a New Substitutional Variant Cs14.53Tl28.4
Sign Up to like & getrecommendations! Published in 2021 at "Materials"
DOI: 10.3390/ma14247512
Abstract: Alkali metal thallides have been known since the report of E. Zintl on NaTl in 1932. Subsequently, binary and ternary thallides of alkali metals have been characterized. At an alkali metal proportion of approximately 33%… read more here.
Keywords: ray structure; alkali metal; structure; a15tl27 type ... See more keywords