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Impact of sulfur substitution on biotin binding affinity to streptavidin
Bioorganic ChemistryIn this study, we investigated how the replacement of the tetrahydrothiophene ring of biotin with either an oxolane or (methyl)pyrrolidine moiety may affect its molecular interactions, in an effort to identify alternative affinity ligands suitable for in vitro and in vivo applications in synthetic biology.
Groaz, Elisabetta +7 more
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Russian Chemical Bulletin, 2011
In terms of the density functional theory (DFT) using B3LYP/6-31G(d) method with full geometry optimization, gas-phase quantum chemical calculations were performed for σ-complexes formed upon the attack of electrophiles E (E = H+, Me+, Me3Si+, Br+, NO2 +, MeCO+, SO3) on α- and β-positions of furan, thiophene, selenophene, pyrrole, and N-substituted ...
L. I. Belen’kii +2 more
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In terms of the density functional theory (DFT) using B3LYP/6-31G(d) method with full geometry optimization, gas-phase quantum chemical calculations were performed for σ-complexes formed upon the attack of electrophiles E (E = H+, Me+, Me3Si+, Br+, NO2 +, MeCO+, SO3) on α- and β-positions of furan, thiophene, selenophene, pyrrole, and N-substituted ...
L. I. Belen’kii +2 more
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Mg substitution effect on the electron affinity of ZnO films
Journal of Applied Physics, 2022We investigated the effect of Mg doping on the electron affinity of ZnO thin films. MgxZn1−xO (x = 0–0.29) composition-gradient films were deposited on an α-Al2O3(001) substrate using combinatorial pulsed laser deposition. The combinatorial high-throughput analysis of the optical transmittance systematically revealed that the bandgap of ZnO films was ...
Ryota Takahashi +4 more
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Pillar substitution modulates CO2 affinity in “mmo” topology networks
Chemical Communications, 2013The use of WO4(2-) instead of CrO4(2-) or MoO4(2-) as an angular pillar in topology nets has afforded two isostructural porous nets of formula [M(bpe)2WO4] (M = Co or Ni, bpe = 1,2-(4-pyridyl)ethene). The Ni variant, WOFOUR-1-Ni, is highly selective towards CO2 thanks to its exceptionally high isosteric heat of adsorption (Qst) of -65.5 kJ mol(-1) at ...
Mona H, Mohamed +7 more
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Fibrin Affinity and Clearance of t-PA Deletion and Substitution Analogues
Thrombosis and Haemostasis, 1990SummaryTo investigate structure-function relationships in tissue-type plasminogen activator (t-PA) we deleted the following domains in the heavy chain: a) The epidermal growth factor domain (t-PA del. G), b) the finger domain, and the epidermal growth factor domain (t-PA del. FG), and c) the finger, the epidermal growth factor and Kr-ingle 1 (1-PA del,
M, Johannessen +7 more
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Potential thyroliberin affinity labels. 1. Chloroacetyl-substituted phenylalanylpyrrolidines
Journal of Medicinal Chemistry, 1981Six analogues of thyroliberin (TRH) that have a chloroacetyl substituent at the amino terminus have been prepared as potential affinity labels for the TRH receptor. These compounds are N-(chloroacetyl)-L-alanyl-L-phenylalanylpyrrolidine (ClAc-Ala-Phe-Pyrr; 14), N-[m-(chloroacetyl)benzoyl]-L-phenylalanylpyrrolidine (m-ClAcBz-Phe-Pyrr; 11a), N-[m ...
R J, Goebel, B L, Currie, C Y, Bowers
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The electron affinities of TCNE and TCNQ: the effect of silicon substitution
Structural Chemistry, 2018The cyanocarbons tetracyanoethylene (TCNE) and tetracyanoquinodimethane (TCNQ) are important electron acceptors used in organic electronic applications. A common approach to enhancing their performance is by structural modification with previous studies focusing on substituting the cyano ligands or annular moiety.
Steven M. Maley +2 more
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Relative electron affinities of substituted benzophenones, nitrobenzenes, and quinones
Journal of the American Chemical Society, 1985On determine les affinites electroniques de 53 molecules en mesurant les constantes d'equilibre des reactions de transfert d'electron en phase gazeuse du type A −• +B=B −• +A. On utilise un spectrometre a resonance cyclotronique ionique pour generer, stocker et detecter les radicaux anioniques moleculaires a des pressions inferieures a 1×10 −5 ...
Elaine K. Fukuda, Robert T. McIver
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Electron affinities of aza-substituted polycyclic aromatic hydrocarbons
Canadian Journal of Chemistry, 1989Electron affinities for aza-substituted polycyclic aromatics were determined from measurements of electron transfer equilibria in the dilute gas phase with a pulsed electron high pressure mass spectrometer (PHPMS). These are (in kcal/mol): quinazoline (12.7), quinoxaline (15.8), cinnoline (16.0), acridine (20.3), benzo[c]cinnoline (20.6), pyrido[2,3-b]
Glen W. Dillow, P. Kebarle
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Correlations between the Basicity and Proton Affinity of Substituted Anilines
Journal of Structural Chemistry, 2001The enthalpies and free energies of gas-phase proton affinity (PA) of aniline and 62 derivatives with different electron donor and electron acceptor substituents in the aromatic ring and at the nitrogen atom were calculated by the PM3 technique. Linear correlations between the shapes of pKa and PA have been found.
A. N. Pankratov +3 more
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