In this research, the complexation of a new recently synthesized phenothiazine with 10 different metals was evaluated by Density functional theory. At the first step, the structures of 6,15-diazabenzo[a][1,4]benzothiazino[3,2-c]phenothiazine, cations and their complexes with the mentioned material were optimized geometrically. Then, IR calculations were performed on them to obtain the values of...

In this paper, we used quantum chemical approach to shed light on the catalytic mechanism of γ-carbonic anhydrase (γ-CA) to convert carbon dioxide to bicarbonate ion. Density functional theory (DFT) using B3LYP and UB3LYP functional and three split-valance including 6-31G*, 6-311G** and 6-311++G** basis sets were used to calculate the details of electronic structure and electronic energy of act...

Choice between alternative flexible functional forms has received little explicit treatment in many empirical agricultural studies. Theoretical criteria and empirical techniques for choosing between flexible functional forms are reviewed. Theoretical topics include definitions of flexibility, mathematical expansions, separability, and regular regions. Empirical techniques examined are Monte Car...

Retinal guanylyl cyclases (RetGCs) in vertebrate photoreceptors are regulated by the guanylyl cyclase activator proteins (GCAP1 and GCAP2). Here, we report EPR double electron-electron resonance (DEER) studies on the most ubiquitous GCAP isoform, GCAP1 and site-directed mutagenesis analysis to determine an atomic resolution structural model of a GCAP1 dimer. Nitroxide spin-label probes were int...

Using Baker-Campbell-Hausdorff relations, the squeeze and harmonicoscillator time-displacement operators are given in the form exp[δI ] exp[α(x)] exp[β(x∂)] exp[γ(∂)], where α, β, γ, and δ are explicitly determined. Applications are discussed. Email: [email protected]

Spire is a WH2 domain-containing actin nucleator essential for establishing an actin mesh during oogenesis. In vitro, in addition to nucleating filaments, Spire can sever them and sequester actin monomers. Understanding how Spire is capable of these disparate functions and which are physiologically relevant is an important goal. To study severing, we examined the effect of Drosophila Spire on p...

chronic constipation is still considered a functional or idiopathic disorder. however, in recent years there is evidence that its pathopysiological grounds may be actually due to a complex system of abnormalities of the enteric nervous system of these patients. in particular, as reported in this review, the enteric glial cells seem to be constantly involved in constipated patients, suggesting t...