Mass spectrometric detection of protein, lipid and heme components of cytochrome c oxidase from R. sphaeroides and the stabilization of non-covalent complexes from the enzyme

The cytochrome c oxidase enzyme from the Rhodobacter sphaeroides bacteria exists as a complex of four peptide subunits, two hemes, and a variety of lipids and metal ions held together by non-covalent forces. While the native enzyme functions as an associated unit, this complex usually dissociates during MALDI- TOF analysis. Through the use of matrix additives such as sucrose, the complete complex and partial complexes can be stabilized in the MALDI-TOF experiment. The dissociation of the complex allows for the detection of the components of the enzyme. The direct detection of associated lipids from an aqueous solution of the intact enzyme may eliminate the need for enzyme disruption and lipid extraction. The partial dissociation of multisubunit enzymes in such experiments may allow for the determination of subunit-subunit and subunit-lipid interactions     

Effect of Pore-Forming Agent Type on Swelling Properties of Macroporous Poly(N-[3-(dimethylaminopropyl)]-methacrylamide-co-acrylamide) Hydrogels

Macroporous poly(N-[3-(dimethylaminopropyl)]methacrylamide-co-acrylamide) [P(DMAPMA-co-AAm)] hydrogels were prepared by free-radical crosslinking copolymerization of corresponding monomers in water using two different pore-forming agents such as hydroxypropyl celluose (HPC) and poly(ethylene glycol) (PEG). The effect of these pore-forming agents on the volume phase transition temperature (VPT-T), interior morphology and swelling/deswelling kinetics of the P(DMAPMA-co-AAm) hydrogels was investigated. Scanning electron micrographs revealed that the interior network structure of the hydrogel matrix became more porous due to the presence of HPC or PEG pore-forming agents. The more porous matrix provided numerous water channels for water diffusion in or out of the matrix and, therefore, an improved response rate to the external stimuli. Particularly, due to its unique macroporous structure, the PEG-modified hydrogel showed a tremendously faster response to the external temperature changes during deswelling process and the swelling process at 22°C.     

Structural and electronic properties of heptachlor

In this work, the molecular geometry of heptachlor is investigated using ab initio HF, DFT, LDA, and GGA methods. The natural bond orbital (NBO) analysis is performed at the B3LYP/6-311++G(d,p) level of theory. The first order hyperpolarizability β_total, the mean polarizability Δα, the anisotropy of the polarizability Δα, and the dipole moment μ, are calculated by B3LYP/6-311++G(d,p) and HF/6- 311++G(d,p) methods. The first order hyperpolarizability (β_total) is calculated based on the finite field approach. UV spectral parameters along with HOMO, LUMO energies for heptachlor are determined in vacuum and the solvent phase using HF, DFT, and TD-DFT/B3LYP methods implemented with the 6-311++G(d,p) basis set. Atomic charges and electron density of heptachlor in vacuum and ethanol are calculated using DFT/B3LYP and TD-DFT/B3LYP methods and the 6-311++G(d,p) basis set. In addition, after the frontier molecular orbitals (FMOs), the molecular electrostatic potential (MEP), the electrostatic potential (ESP), the electron density (ED), and the solvent accessible surface of heptachlor are visualized as a results of the B3LYP/6-311++G(d,p) calculation. Densities of states (DOS), the external electric field (EF) effect on the HOMO-LUMO gap, and the dipole moment are investigated by LDA and GGA methods.     

Isolation,characterization, and NMR spectroscopic data of indole and oxindole alkaloids from Mitragyna speciosa

A new indole alkaloid, 7β-hydroxy-7H-mitraciliatine (1) and a new oxindole alkaloid, isospeciofoleine (2) together with nine known alkaloids were isolated from Mitragyna speciosa and characterized by NMR, CD, and MS spectroscopic data analyses. The ¹H and ¹³C NMR spectroscopic data of isospeciofoline (3), isorotundifoline (4), paynantheine (5), and 3-isopaynantheine (6) were also reported for the first time.     

Excitonics of semiconductor quantum dots and wires for lighting and displays

In the past two decades, semiconductor quantum dots and wires have developed into new, promising classes of materials for next‐generation lighting and display systems due to their superior optical properties. In particular, exciton–exciton interactions through nonradiative energy transfer in hybrid systems of these quantum‐confined structures have enabled exciting possibilities in light generation. This review focuses on the excitonics of such quantum dot and wire emitters, particularly transfer of the excitons in the complex media of the quantum dots and wires. Mastering excitonic interactions in low‐dimensional systems is essential for the development of better light sources, e.g., high‐efficiency, high‐quality white‐light generation; wide‐range color tuning; and high‐purity color generation. In addition, introducing plasmon coupling provides the ability to amplify emission in specially designed exciton–plasmon nanostructures and also to exceed the Förster limit in excitonic interactions. In this respect, new routes to control excitonic pathways are reviewed in this paper. The review further discusses research opportunities and challenges in the quantum dot and wire excitonics with a future outlook.     

Solitary waves in a tapered prestressed fluid-filled elastic tube

In the present work, treating the arteries as a tapered, thin walled, long and circularly conical prestressed elastic tube and using the longwave approximation, we have studied the propagation of weakly nonlinear waves in such a fluid-filled elastic tube by employing the reductive perturbation method. By considering the blood as an incompressible inviscid fluid the evolution equation is obtained as the Korteweg-de Vries equation with a variable coefficient. It is shown that this type of equations admit a solitary wave type of solution with variable wave speed. It is observed that, the wave speed increases with distance for positive tapering while it decreases for negative tapering.     

Synthesis,characterization, crystal structure and biological activity of the cobalt(IV) complex of 2,6-diacetylpyridine dioxime: [Co(dapdo)<Subscript>2</Subscript>]

The cobalt(IV) complex of 2,6-diacetylpyridine dioxime (dapdoH₂) was prepared and characterized by X-ray diffraction, elemental analysis and FT-IR. The titled complex was found to crystallize in the orthorhombic space group and was screened for antibacterial and antifungal activities by the disc diffusion and microtitter plate techniques using DMF as solvent. It has been found that the antimicrobial activity of the complex [Co(dapdo)₂] is slightly higher than the free ligand (dapdoH₂).     

Semiempirical tight-binding modelling of III-N-based heterostructures

In this work, we present a second nearest neighbour sp³s^* semi-empirical tight-binding theory to calculate the electronic band structure of heterostructures based on group III-N binary semiconductors and their ternaries. The model Hamiltonian includes the second nearest neighbour (2nn) interactions, the spin–orbit splitting and the nonlinear variations of the atomic energy levels and the bond length with ternary mole fraction. Using this sp³s^* tight-binding approach, we investigated the electronic band structure of Al_1−xGa_xN/GaN and In_1−xGa_xN/GaN heterostructures as a function of composition and interface strain for the entire composition range (0≤x≤1). There is an excellent agreement between the model predictions and experiment for the principal bandgaps at Γ, L and X symmetry points of the Brillouin zone for AlN, GaN and InN binaries and Al_1−xGa_xN and In_1−xGa_xN ternaries. The model predicts that the composition effects on the valence band offsets is linear, but on the conduction band offsets is nonlinear and large when the interface strain and deformation potential is large.     

Waves in fluid-filled elastic tubes with a stenosis: Variable coefficients KdV equations

In the present work, by treating the arteries as thin-walled prestressed elastic tubes with a stenosis and the blood as an inviscid fluid we have studied the propagation of weakly nonlinear waves in such a medium, in the longwave approximation, by employing the reductive perturbation method. The variable coefficients KdV and modified KdV equations are obtained depending on the balance between the nonlinearity and the dispersion. By seeking a localized progressive wave type of solution to these evolution equations, we observed that the wave speeds takes their maximum values at the center of stenosis and gets smaller and smaller as one goes away from the stenosis. Such a result seems to reasonable from the physical point of view.