Search results for "x-ray"

Selenomethionine labeling of large biological macromolecular complexes: probing the structure of marine bacterial virus PM2.

2008

There is a need for improved tools for labeling protein species within large macromolecular assemblies. Here we describe a method for the efficient selenomethionine labeling of the membrane-containing bacterial virus PM2 for structural studies. By examining potential host cells a strain was found which was auxotrophic for methionine, and by performing a multiparameter search of conditions it was possible to derive a robust protocol which simultaneously minimized the toxic effects of the selenomethionine, so that a reasonable virus yield was maintained, whilst still achieving essentially complete labeling. This has allowed us to fingerprint the protein constituents of the virus in a relative…

Synthesis of Isoxazole and 1,2,3-Triazole Isoindole Derivatives via Silver- and Copper-Catalyzed 1,3-Dipolar Cycloaddition Reaction.

2016

International audience; The CuI-or Ag 2 CO 3-catalyzed [3+2] cycloaddition of propargyl-substituted dihydroisoindolin-1-one (3) with arylnitrile oxides 1a-d (Ar = Ph, p-MeC 6 H 4 , p-MeOC 6 H 4 , p-ClC 6 H 4) produces in good yields novel 3,5-disubstituted isoxazoles 4 of the ethyl-2-benzyl-3-oxo-1-((3-arylisoxazol-5yl)methyl)-2,3-dihydro-1H-isoindole-1-carboxylate type. With aryl azides 2a-d (Ar = Ph, p-MeC 6 H 4 , p-OMeC 6 H 4 , p-ClC 6 H 4), a series of 1,4-disubstituted 1,2,3-triazoles 6 (ethyl-2-benzyl-3-oxo-1-((1-aryl-1H-1,2,3-triazol-4-yl)methyl)-2,3-dihydro-1H-isoindole-1-carboxylates) was obtained. The reactions proceed in a regioselective manner affording exclusively racemic adduc…

Base-Controlled Regiospecific Mono-Benzylation/Allylation and Diallylation of 4-Aryl-5-indolyl-1,2,4-triazole-3-thione : Thio-Aza Allyl Rearrangement

2023

The regiospecific S-benzylation/allylation of two 4-aryl-5-indolyl-1,2,4-triazole-3-thione precursors was carried out using Et3N as a base. Allyl group migration from exocyclic sulfur to the triazole nitrogen (N3) was successfully achieved in a short time via thermal fusion without the need for any catalyst. The allylation of indole nitrogen, along with exocyclic sulfur or triazole nitrogen (N3), was carried out using K2CO3 as stronger base. S,N-Diallylated products were converted to N,N-diallylated analogues using a simple fusion approach. Structural analyses of the two newly synthesized hybrids 2b and 5b investigated via the X-ray diffraction of a single crystal combined with Hirshfeld ca…

N-(2,3,5,6-Tetrafluoropyridyl)sulfoximines: synthesis, X-ray crystallography, and halogen bonding

2020

In the presence of KOH, NH-sulfoximines react with pentafluoropyridine to give N-(tetrafluoropyridyl)sulfoximines (NTFP-sulfoximines) in moderate to excellent yields. Either a solution-based or a superior solvent-free mechanochemical protocol can be followed. X-Ray diffraction analyses of 26 products provided insight into the bond parameters and conformational rigidity of the molecular scaffold. In solid-state structures, sulfoximines with halo substituents on the S-bound arene are intermolecularly linked by C–X⋯OS (X = Cl, Br) halogen bonds. Hirshfeld surface analysis is used to assess the type of non-covalent contacts present in molecules. For mixtures of three different S-pyridyl-substit…

Synthesis, characterization, and cytotoxic activity of copper(II) and platinum(II) complexes of 2-benzoylpyrrole and X-ray structure of bis[2-benzoyl…

2004

Copper(II) and platinum(II) complexes of 2-benzoylpyrrole (2-BZPH) were synthesized and characterized with IR, 1 H and 1 3 C NMR spectroscopies and coordination geometry with ligands arranged in transoid fashion. The crystal structure of [Cu I I (2-BZP) 2 ] was determined by X-ray diffraction. Death of complex treated Jurkat cells was measured by flow cytometry. The bis-chelate complexes [Cu I I (2-BZP) 2 ] and [Pt I I (2-BZP) 2 ] adopt square-planar coordination geometry with ligands, arranged in transoid fashion. Concentrations of 1-10 μM Platinum(II) complexes reduced cell survival from 100% to 20%, in contrast to the copper(II) complex which caused no cell death at a concentration of 10…

Preparation and structural characterization of organotin(IV) complexes with ligands containing a hetero {N} atom and a hydroxy group or hydroxy and c…

2005

AbstractTwenty-two n-butyltin(IV) and t-butyltin(IV) complexes of ligands containing an –OH (–C@O) group or –OH and –COOHgroups and an aromatic {N} donor atom were prepared by metathetical reactions. On the basis of the FT-IR and Mo¨ssbauer spec-troscopic data, molecular structures were assigned to these compounds. The binding sites of the ligands were identified by means ofFT-IR spectroscopic measurements, and it was found that in most cases the organotin(IV) moiety reacts with the phenolic form ofthese ligands. In the complexes with –OH and –COOH functions, the –COOH group is coordinated to the organotin(IV) centres in amonodentate manner. The 119 Sn Mo¨ssbauer and the FT-IR studies suppor…

CT-Determined Maximum Pulmonary Artery to Ascending Aorta Diameter Ratio in Nonsevere COVID-19 Patients

2021

Compact Cell Imaging Device (CoCID) provides insights into the cellular origins of viral infections

2021

The overall CoCID concept is centred on providing virologists with a next-generation imaging device, which, through increased penetration and depth of focus, as well as through high natural contrast and sensitivity to organelle density (including virus-related organelles), will produce higher-fidelity ultrastructural images of whole intact cells. These insights will, in turn, help increase our understanding of the links between the structural reorganisation of cells and the mechanisms of viral entry, replication, assembly, and egress in cells. CoCID will provide this valuable imaging capability in the form of a compact lab-scale device that will greatly improve the accessibility of soft X-r…

Ultrathin films of layered coordination polymers: charge transport and spin crossover at the nanoscale

2019

La present tesi doctoral ha estat realitzada com a compendi de publicacions i porta per títol "Pel·lícules ultrafines de polímers de coordinació en capes: transport de càrrega i transició d'espín en la nanoescala" (Ultrathin films of layered coordination polymers: charge transport and spin-crossover at the nanoscale). Aquesta es divideix en quatre capítols a més d'un capítol final de conclusions i resums en castellà i valencià. El primer capítol consisteix d'una introducció general enfocada cap a donar una visió general del transport de càrrega en xarxes metall-orgàniques (de l'anglès metal-organic frameworks, MOFs) i polímers de coordinació (de l'anglès coordination polymers, CPs), així co…

X-Ray characterization of 3-methyl-6,8-di(2-pyridyl)-[1,2,3]triazolo[5′,1′:6,1]pyrido[2,3-d]pyrimidine

2005

The structure of a new compound 3-methyl-6,8-di(2-pyridyl)[1,2,3]triazolo[5′,1′:6,1]pyrido[2,3- d]pyrimidine 3, formed in the reaction of 3-methyl-[1,2,3]triazolo[1,5-a]pyridine with 2-cyanopyridine, is determined by X-ray diffraction analysis. Abarca Gonzalez, Belen. Belen.Abarca@uv.es ; Ballesteros Campos, Rafael, Rafael.Ballesteros@uv.es ; Chadlaoui, Mimoun, michad@alumni.uv.es ; Ramirez de Arellano Sanchez, Maria del Carmen, Ramirezdearellano@uv.es