The structure and vibrational spectra of a marginally stable conformer of glycine (usually referred to as VIp or ttc) recently detected in low-temperature matrices have been characterized by a state-of-the-art computational approach allowing an overall quality for bond distances, rotational constants, conformational enthalpies and vibrational frequencies well within the chemical accuracy. The h...

Using a molecular jet Fourier transform spectrometer, the microwave spectrum of E-3-penten-2-one, also called methyl propenyl ketone, was recorded in range from 2.0 to 26.5 GHz. Two conformers, antiperiplanar (ap) and synperiplanar (sp), could be identified. Complicated splitting patterns arising due internal rotation acetyl groups resolved, all measured rotational transitions were fitted measu...

Along with automatic speech recognition, many researchers have been actively studying emotion since information is as crucial the textual for effective interactions. Emotion can be divided into categorical and dimensional emotion. Although widely used, emotion, typically represented arousal valence, provide more detailed on emotional states. Therefore, in this paper, we propose a Conformer-base...

Remarkable acceleration of enzymatic proteolysis by pressure at kbar range is reported with ubiquitin as substrate and α-chymotrypsin as enzyme. The acceleration is interpreted in terms of the shift of conformational equilibrium in ubiquitin from the non-degradable folded conformer to the enzyme-degradable unfolded conformer by pressure because of the lower volume of the latter, while the enzym...

In the unit cell of the title compound, C(5)H(7)N(3)O, there are two conformers (A and B) which differ in the position of the oxime group with respect to the protonated pyrazole nitro-gen (trans in the A conformer and cis in the B conformer) and in the geometric parameters. The oxime group exists in the nitroso form in both conformers. In the crystal, mol-ecules are linked by inter-molecular N-...