NBO analysis, hybrid density functional theory (B3LYP/6-311+G**) and ab initio molecular orbital (HF/6-311+G**) based methods were used to study the anomeric effects (AE), electrostatic interactions, dipole-dipole interactions and steric repulsion effects on the conformational properties of 2-methoxy- (1), 2-methylthio- (2), 2-methylseleno- (3), 2-fluoro- (4), 2-chloro- (5) and 2-bromocyclohexa...

Peptidic foldamers have recently emerged as a novel class of artificial oligomers with properties and structural diversity similar to that of natural peptides, but possessing additional interesting features granting them great potential for applications in fields from nanotechnology to pharmaceuticals. Among these, foldamers containing 1,4- and 1,5-substitued triazole amino acids are easily pre...

The photofragment spectrum of N: + + N + (‘Ps ) + N + (‘Ps ) has been studied using a coaxial laser-ion beam spectrometer. Transitions from the excited 38,+ (u = 0,l) state of Nz + to the predissociative 3111, (L, = 0) state result in two bands with dense rotational structure at 15 300 and 13 100 cm ‘. A complete analysis of the 27 rotational branches associated with the 311,(u=o)+ “2: (U = 0) ...

Abstract The structure–activity relationship studied by DFT calculations and contacted with practical antimicrobial results for compounds 1–4 is discussed in detail. In light of this have been using DFT/B3LYB/6-311++G (d,p) at the level theory, geometrical parameters, bond lengths angles discussed. quantum mechanical showed that presence phosphorus sulfur atoms changed planarity parent compound...

The rate constants of the H-abstraction reactions from cyclopropane by H, O (3P), Cl (P3/2), and OH radicals have been calculated over the temperature range of 250−2500 K using two different levels of theory. Calculations of optimized geometrical parameters and vibrational frequencies are performed using the MP2 method combined with the cc-pVTZ basis set and the 6–311++G(d,p) basis set. Single-...

nbo analysis, hybrid density functional theory (b3lyp/6-311+g**) and ab initio molecular orbital (hf/6-311+g**) based methods were used to study the anomeric effects (ae), electrostatic interactions, dipole-dipole interactions and steric repulsion effects on the conformational properties of 2-methoxy- (1), 2-methylthio- (2), 2-methylseleno- (3), 2-fluoro- (4), 2-chloro- (5) and 2-bromocyclohexa...

Review of
 MARTTA HEIKKILÄ, DECONSTRUCTION AND THE WORK OF ART. VISUAL ARTS THEIR CRITIQUE IN CONTEMPORARY FRENCH THOUGHT
 LONDON: LEXINGTON BOOKS 2021. 311 PAGES.ISBN: 1793619042

The general transcription factor TFIID is a multiprotein complex consisting of the TATA box-binding protein and multiple TATA box-binding protein-associated factors (TAF(II)s). The central domain of human TAF(II)130 contains four glutamine-rich regions Q1-Q4 that interact with transcriptional activators such as Sp1 and CREB and mediate activation. We screened in yeast random point mutations int...