A recently optimized set of potential energy functions is used to investigate the conformational flexibility of the beta-(1-->6) glycosidic linkage in beta-gentiobiose. Relaxed Ramachandran maps in vacuo are presented in the torsional angles phi and omega, with torsional angle psi allowed to relax freely, as are all other internal degrees of freedom. The study reveals two almost iso-energetic l...

Series of 4-arylimidazoles, omega-N-acylhistamines and 4-(omega-phenylalkyl)imidazoles were synthesized in order to probe the active site topology of sweet almond beta-glucosidase. These imidazole derivatives were shown to be very powerful competitive inhibitors. Among the 20 tested compounds, omega-N-benzoylhistamine and 4-(3'-phenylpropyl)imidazole are the most potent inhibitors of the enzyme...

In this paper the inverse problem of determining fractional orders in mixed-type equations is considered. one part domain, considered equation subdiffusion with a derivative sense Gerasimov–Caputo order $$\alpha\in(0,1)$$ and other part—a wave $$\beta\in(1,2)$$ . The elliptic second-order operator, $$N$$ -dimensional domain $$\Omega$$ Assuming parameters $$\alpha$$ $$\beta$$ to be unknown, addi...

omega-Conotoxins selective for N-type calcium channels are useful in the management of severe pain. In an attempt to expand the therapeutic potential of this class, four new omega-conotoxins (CVIA-D) have been discovered in the venom of the piscivorous cone snail, Conus catus, using assay-guided fractionation and gene cloning. Compared with other omega-conotoxins, CVID has a novel loop 4 sequen...

It has been proved by Zuazua in the nineties that internally controlled semilinear 1D wave equation $\partial_{tt}y-\partial_{xx}y + g(y)=f 1_{\omega}$, with Dirichlet boundary conditions, is exactly controllable $H^1_0(0,1)\cap L^2(0,1)$ controls $f\in L^2((0,1)\times(0,T))$, for any $T>0$ and nonempty open subset $\omega$ of (0,1), assuming $g\in \mathcal{C}^1(\mathbb{R})$ does not grow faste...

A suite of novel (5,3)D G2FT triple resonance NMR experiments encoding highly resolved 5D spectral information is presented for sequential resonance assignment of proteins exhibiting high chemical shift degeneracy. Efficient resonance assignment is achieved by separate joint sampling of (i) chemical shifts which solely serve to provide increased resolution and (ii) shifts which also provide seq...

Molecular dynamics (MD) simulations of lithium metasilicate (Li2SiO3) in the glassy and supercooled liquid states have been performed to illustrate the decay with time of the cages that confine individual Li+ ions before they hop out to diffuse cooperatively with each other. The self-part of the van Hove function of Li+ ions, G(s)(r,t), is used as an indicator of the cage decay. At 700 K, in th...

Comparison of relative fixation rates of synonymous (silent) and nonsynonymous (amino acid-altering) mutations provides a means for understanding the mechanisms of molecular sequence evolution. The nonsynonymous/synonymous rate ratio (omega = d(N)d(S)) is an important indicator of selective pressure at the protein level, with omega = 1 meaning neutral mutations, omega < 1 purifying selection, a...

Objective: This study aims to evaluate the effects of omega-3-rich fish oil supplementation with or without physical activity on anti-inflammatory and insulin resistance parameters in obese type 2 diabetic individuals. Methods: Randomized, double-blind intervention omega-3. Adults obesity diabetes mellitus exclusive use metformin as a drug control blood glucose will be included. The Protocol ba...