The [Fe{(SePPh : The [Fe{(SePPh2)2N}2] Complex Revisited: X-ray Crystallography, Magnetometry, High-Frequency EPR, and Mössbauer Studies Reveal Its Tetrahedral FeIISe4
Sign Up to like & getrecommendations! Published in 2018 at "European Journal of Inorganic Chemistry"
DOI: 10.1002/ejic.201701459
Abstract: The synthesis and characterization of a preparation of the [Fe{(SePPh 2) 2 N} 2 ] complex (1 Td) is described. X-ray crystallography shows that this system contains a tetrahedral FeSe 4 coordination sphere. The structural… read more here.
Keywords: studies reveal; high frequency; frequency epr; sepph ... See more keywords
Core packing of well‐defined X‐ray and NMR structures is the same
Sign Up to like & getrecommendations! Published in 2022 at "Protein Science"
DOI: 10.1002/pro.4373
Abstract: Numerous studies have investigated the differences and similarities between protein structures determined by solution NMR spectroscopy and those determined by X‐ray crystallography. A fundamental question is whether any observed differences are due to differing methodologies… read more here.
Keywords: nmr structures; ray; structures determined; stereochemistry ... See more keywords
Complementary Use of Electron Cryomicroscopy and X-Ray Crystallography: Structural Studies of Actin and Actomyosin Filaments.
Sign Up to like & getrecommendations! Published in 2018 at "Advances in experimental medicine and biology"
DOI: 10.1007/978-981-13-2200-6_4
Abstract: Visualization of macromolecular structures is essential for understanding the mechanisms of biological functions because they are all determined by the structure and dynamics of macromolecular complexes. Electron cryomicroscopy (cryoEM) and image analysis has become a… read more here.
Keywords: electron cryomicroscopy; structural studies; ray crystallography; biology ... See more keywords
X-Ray Crystallography in Structure-Function Characterization of Therapeutic Enzymes.
Sign Up to like & getrecommendations! Published in 2019 at "Advances in experimental medicine and biology"
DOI: 10.1007/978-981-13-7709-9_4
Abstract: Enzymes are key biological macromolecules that support life by accelerating the conversion of target molecules to desired products in many biochemical reactions. Enzymes are characterized by high affinity, specificity and great catalytic efficiency. Owing to… read more here.
Keywords: function characterization; crystallography structure; ray crystallography; crystallography ... See more keywords
History of DNA polymerase β X-ray crystallography.
Sign Up to like & getrecommendations! Published in 2020 at "DNA repair"
DOI: 10.1016/j.dnarep.2020.102928
Abstract: DNA polymerase β (Pol β) is an essential mammalian enzyme involved in the repair of DNA damage during the base excision repair (BER) pathway. In hopes of faithfully restoring the coding potential to damaged DNA… read more here.
Keywords: ray crystallography; pol; dna polymerase; dna ... See more keywords
Synthesis and X-Ray crystallography of a substituted trityl fluoride: Ordering power of a C-F bond
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Fluorine Chemistry"
DOI: 10.1016/j.jfluchem.2019.109377
Abstract: Abstract Herein we report the synthesis and X-ray crystallographic study of a per(meta-t-butyl) substituted trityl fluoride in order to explore possible intermolecular F F interactions, as inspired by the recent work of Schreiner et al.… read more here.
Keywords: synthesis ray; substituted trityl; trityl fluoride; ray crystallography ... See more keywords
Molecular structure in the solid state by X-ray crystallography and SSNMR and in solution by NMR of two 1,4-diazepines
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2017.10.112
Abstract: Abstract The crystals of two 1,4-diazepines prepared from curcuminoid β-diketones and ethylenediamine were studied by X-ray crystallography and NMR. Their tautomerism, intramolecular hydrogen bonds and conformation were determined. read more here.
Keywords: two diazepines; molecular structure; ray crystallography;
Syntheses of and structural studies on some square planar dithiophosphonato Ni(II) complexes, octahedral pyridine derivatives thereof and X-ray crystallography, DFT and molecular docking studies of the latter
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2018.09.084
Abstract: Abstract Five new dithiophosphonic acids ((p-MeO-C6H4)PS(SH)(OR), HLn, (n = 1–5); R = 3-pentyl-, HL1; R = 1-phenyl-1-propyl-, HL2; R = 4-tert-butyl benzyl-, HL3; R = diphenylmethyl-, HL4; R = 4-tert-butylcyclohexyl-, HL5) were prepared by the reaction of Lawesson reagent with the corresponding alcohols. As the acids were… read more here.
Keywords: pyridine derivatives; crystallography dft; square planar; molecular docking ... See more keywords
Synthesis, characterization, X-ray crystallography and stability in aqueous medium of trans -[Ru(CO)(NH 3 ) 4 P(OH) 3 ] 2+
Sign Up to like & getrecommendations! Published in 2017 at "Polyhedron"
DOI: 10.1016/j.poly.2016.12.019
Abstract: Abstract Here, we report the synthesis, characterization, crystal data and DFT calculation of a new water-soluble ruthenium(II) carbonyl complex. The trans-[Ru(CO)(NH3)4P(O)(OH)2]Cl is a robust complex in aqueous media. The pKa of 3.3 for the phosphorous… read more here.
Keywords: trans nh3; crystallography stability; characterization ray; ray crystallography ... See more keywords
Synthesis, characterization, X-ray crystallography analysis and cell viability study of (η6-p-cymene)Ru(NH2R)X2 (X = Cl, Br) derivatives
Sign Up to like & getrecommendations! Published in 2021 at "Polyhedron"
DOI: 10.1016/j.poly.2021.115130
Abstract: Abstract Studies over the past few decades demonstrate the potential for metallodrugs as bioactive therapeutics. Here, we describe six new ruthenium(II) complexes with the general motif of (η6-p-cymene)Ru(NH2R)X2, where NH2R is either the influenza A… read more here.
Keywords: ray crystallography; cymene nh2r; synthesis characterization; cymene ... See more keywords
Interrogating the Inhibition Mechanisms of Human Aldehyde Oxidase by X-ray Crystallography and NMR Spectroscopy: The Raloxifene Case.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.1c01125
Abstract: Human aldehyde oxidase (hAOX1) is mainly present in the liver and has an emerging role in drug metabolism, since it accepts a wide range of molecules as substrates and inhibitors. Herein, we employed an integrative… read more here.
Keywords: inhibition; aldehyde oxidase; ray crystallography; spectroscopy ... See more keywords