scholarly journals Contaminant inclusion into protein crystals analyzed by electrospray mass spectrometry and X-ray crystallography

1998 ◽  
Vol 7 (1) ◽  
pp. 185-192 ◽  
Author(s):  
Juan Carlos Fontecilla-Camps ◽  
Frédéric Halgand ◽  
Eric Forest ◽  
Joachim Hirschler
Keyword(s):  
Mass Spectrometry ◽  
Electrospray Mass Spectrometry ◽  
Protein Crystals ◽  
X Ray ◽  
X Ray Crystallography

1,4,8,11-Tetra[2-aryl-1-diazenyl]-1,4,8,11-tetraazacyclotetradecanes — Synthesis, characterization, and X-ray crystallography of the first tetrakistriazenes to be reported

2006 ◽  
Vol 84 (10) ◽  
pp. 1280-1289 ◽  
Author(s):  
Jeffery D Clarke ◽  
Keith Vaughan ◽  
Valerio Bertolasi
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Electrospray Mass Spectrometry ◽  
Diazonium Salt ◽  
Diazonium Salts ◽  
The Novel ◽  
Analogous Reaction ◽  
X Ray ◽  
X Ray Crystallography ◽  
The Mean

The reactions of a series of arene diazonium salts with 1,4,8,11-tetraazacyclotetradecane (cyclam) afford the novel compounds, the 1,4,8,11-tetra[2-aryl-1-diazenyl]-1,4,8,11-tetraazacyclotetradecanes (1a–1f), which are the first examples of tetrakistriazenes to be reported. The tetrakistriazenes were characterized by IR spectroscopy, proton and carbon NMR, elemental analysis, high resolution electrospray mass spectrometry, and X-ray crystallography. The analogous reaction of a diazonium salt with 1,4,7-triazacyclononane or 1,5,9-triazacyclododecane yields the tristriazenes 2, 3a, and 3b. The structures of compounds 1c and 1e were solved by X-ray crystallography at low temperature (150 K). Both molecules display a conformation where the four phenyltriazenyl groups point alternately upwards and downwards with respect to the mean macrocyclic plane.Key words: triazene, tetrakistriazene, cyclam, tetraazacyclotetradecane, X-ray, NMR, cyclic polyamines.

Tracking the dissolution–recrystallization structural transformation (DRST) of copper(II) complexes: a combined crystallographic, mass spectrometric and DFT study

2020 ◽  
Vol 76 (7) ◽  
pp. 655-662
Author(s):  
Qian-Jun Deng ◽  
Min Chen ◽  
Dong-Chu Chen ◽  
Hang-Yu Long ◽  
Chang-Ai Chen
Keyword(s):  
Mass Spectrometry ◽  
Structural Transformation ◽  
Density Functional ◽  
Electrospray Mass Spectrometry ◽  
Theoretical Calculations ◽  
Binuclear Copper ◽  
Functional Theory ◽  
X Ray ◽  
X Ray Crystallography ◽  
First Time

Methanol- and temperature-induced dissolution–recrystallization structural transformation (DRST) was observed among two novel CuII complexes. This is first time that the combination of X-ray crystallography, mass spectrometry and density functional theory (DFT) theoretical calculations has been used to describe the fragmentation and recombination of a mononuclear CuII complex at 60 °C in methanol to obtain a binuclear copper(II) complex. Combining time-dependent high-resolution electrospray mass spectrometry, we propose a possible mechanism for the conversion of bis(8-methoxyquinoline-κ2 N,O)bis(thiocyanato-κN)copper(II), [Cu(NCS)2(C10H9NO)2], Cu1, to di-μ-methanolato-κ4 O:O-bis[(8-methoxyquinoline-κ2 N,O)(thiocyanato-κN)copper(II)], [Cu2(CH3O)2(NCS)2(C10H9NO)2], Cu2, viz. [Cu(SCN)2(L)2] (Cu1) → [Cu(L)2] → [Cu(L)]/L → [Cu2(CH3O)2(NCS)2(L)2] (Cu2). We screened the antitumour activities of L (8-methoxyquinoline), Cu1 and Cu2 and found that the antiproliferative effect of Cu2 on some tumour cells was much greater than that of L and Cu1.

scholarly journals A case of extensive protein platination: the reaction of lysozyme with a Pt(ii)–terpyridine complex

2018 ◽  
Vol 47 (26) ◽  
pp. 8716-8723 ◽  
Author(s):  
Giarita Ferraro ◽  
Tiziano Marzo ◽  
Teresa Infrasca ◽  
Agostino Cilibrizzi ◽  
Ramon Vilar ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Electrospray Mass Spectrometry ◽  
High Reactivity ◽  
Experimental Conditions ◽  
X Ray ◽  
X Ray Crystallography ◽  
Cytotoxic Compound ◽  
Model Protein

The interaction between a Pt(ii)–terpyridine cytotoxic compound and the model protein lysozyme has been investigated by X-ray crystallography and electrospray mass spectrometry under different experimental conditions. The compound shows a high reactivity with the model protein.

scholarly journals 4-vinylpyridine derivatives: Protonation, methylation and silver(I) coordination chemistry

2021 ◽  
pp. 174751982198965
Author(s):  
Guoqi Zhang
Keyword(s):  
Mass Spectrometry ◽  
Schiff Base ◽  
Coordination Chemistry ◽  
Elemental Analysis ◽  
Silver Complex ◽  
Spectroscopic Techniques ◽  
X Ray ◽  
X Ray Crystallography ◽  
Pyridine Moiety ◽  
New Compounds

( E)-4-[2-(Pyridin-4-yl)vinyl]benzaldehyde, containing both a 4-vinylpyridine and an aldehyde functionality, is utilized to develop new, highly conjugated chalcone compounds and a bis-Schiff base azine compound. The chalcone-containing compounds are further explored for their protonation, methylation and silver(I) coordination chemistry using the pyridine moiety. In parallel, a cyano-containing analogue, ( E)-4-[2-(pyridin-4-yl)vinyl]benzonitrile is also synthesized and studied for its silver(I) coordination chemistry. These new compounds are fully characterized by mass spectrometry, elemental analysis and spectroscopic techniques. The methylated product of ( E)-1-(9-anthryl)-3-{4-[2-(pyridin-4-yl)vinyl]phenyl}prop-2-en-1-one and a silver complex of ( E)-4-[2-(pyridin-4-yl)vinyl]benzonitrile are structurally determined by X-ray crystallography.

Structural determination and characterization of copper and zinc bis-glycinates with X-ray crystallography and mass spectrometry

2010 ◽  
Vol 63 (19) ◽  
pp. 3335-3347 ◽  
Author(s):  
Sanjit Konar ◽  
Kevin Gagnon ◽  
Abraham Clearfield ◽  
Charles Thompson ◽  
Jennifer Hartle ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Structural Determination ◽  
X Ray ◽  
X Ray Crystallography ◽  
Copper And Zinc

scholarly journals Simple Methylcadmium Alkoxides

2007 ◽  
Vol 62 (10) ◽  
pp. 1339-1342 ◽  
Author(s):  
Surajit Jana ◽  
Tania Pape ◽  
Norbert W. Mitzel
Keyword(s):  
Mass Spectrometry ◽  
Solid State ◽  
Molecular Formula ◽  
Equimolar Ratio ◽  
X Ray ◽  
X Ray Crystallography ◽  
Elemental Analyses ◽  
Solid State Structures ◽  
Structural Aspects ◽  
C Nmr

The reaction of dimethylcadmium with alcohols R-OH in equimolar ratio leads to the formation of tetrameric methylcadmium alkoxides with molecular formula [(MeCd)4 (OR)4] [R = Me (1), Et (2) and iPr (3)]. These compounds have been characterised by 1H, 13C NMR and IR spectroscopy, by mass spectrometry, elemental analyses and by X-ray crystallography (for 2 and 3). The solid state structures show distorted cubane-type aggregates with Cd4O4 cores. The structural aspects and the spectroscopic characterisations of these compounds are discussed.

Mapping the protein-binding sites for iridium(iii)-based CO-releasing molecules

2016 ◽  
Vol 45 (30) ◽  
pp. 12206-12214 ◽  
Author(s):  
Marco Caterino ◽  
Ariel A. Petruk ◽  
Alessandro Vergara ◽  
Giarita Ferraro ◽  
Daniela Marasco ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Protein Binding ◽  
Binding Sites ◽  
Raman Microspectroscopy ◽  
Rnase A ◽  
Protein Binding Sites ◽  
X Ray ◽  
X Ray Crystallography ◽  
Model Protein ◽  
Circular Dichroïsm

Mass spectrometry, Raman microspectroscopy, circular dichroism and X-ray crystallography have been used to investigate the reaction of CO-releasing molecule Cs2IrCl5CO with the model protein RNase A.

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