Redox- and protonation-state driven substrate-protein dynamics in respiratory complex I

Respiratory complex I is a key enzyme in the electron transport chains of mitochondria and bacteria. It transfers two electrons to quinone and couples this redox reaction to proton pumping to electrically charge the membrane it is embedded in. The charge and pH gradient across the membrane drives the synthesis of ATP. The redox reaction and proton pumping in complex I are separated in space and time, which raises the question of how the two reactions are coupled so efficiently. Here, we focus on the unique ～35 Å long tunnel of complex I, which houses the binding site of quinone reduction. We discuss the redox and protonation reactions that occur in this tunnel and how they influence the dynamics of protein and substrate. On the basis of recent structural data and results from molecular simulations, we review how quinone reduction and dynamics may be coupled to proton pumping in complex I.     

The pyrolysis of propane

The pyrolysis of propane plays an important role in determining the combustion properties of natural gas mixtures and offers insight into the cracking patterns of larger fuels. This work investigates propane pyrolysis behind reflected shock waves with a multiwavelength laser-absorption speciation technique. Nine laser wavelengths, sensitive to key pyrolysis species, were used to measure absorbance time histories during the decomposition of 2% propane in argon between 1022 and 1467 K, 3.7-4.3 atm. Absorbance models were developed at each diagnostic wavelength to interrogate common initial conditions, and time histories of all major species are reported at 1250, 1290, 1330, 1370, and 1410 K. Nearly complete carbon recovery observed at lower temperatures enabled the inference of hydrogen formation from atomic conservation, while decaying carbon recovery at high temperatures suggests the formation of allene and 1-butene. The results show systematically faster pyrolysis than predicted by kinetic modeling and motivate further study into the kinetics of propane pyrolysis.     

Study of nucleon-nucleon and alphanucleon elastic scattering by the Manning-Rosen potential

Although often used in molecular dynamics, in this work the Manning–Rosen potential is parameterized to compute the scattering phase shifts for the nucleon–nucleon and the alpha-nucleon systems by exploiting the standard phase function method. We obtain excellent agreement in phase shifts with the more sophisticated calculations up to partial waves ${\ell }=2.$     

Synthesis and characterization of dimeric μ-oxidovanadium complexes as the functional model of vanadium bromoperoxidase

Two vanadium (IV) complexes [V^IVO(Haeae-sal)(MeOH)]⁺ ( 1 ) and [V^IVO(Haeae-hyap)(MeOH)]⁺ ( 2 ) were prepared by reacting [VO(acac)₂] with ligands [H₂aeae-sal] ( I ) and [H₂aeae-hyap] ( II ) respectively. Condensation of 2-(2-aminoethylamino)ethanol with salicylaldehyde and 2-hydroxyacetophenone produces the ligands ( I ) and ( II ) respectively. Both vanadium complexes 1 and 2 are sensitive towards aerial oxygen in solution and rapidly convert into vanadium(V) dioxido species. Vanadium(V) dioxido species crystalizes as the dimeric form in the solid-state. Single-crystal XRD analysis suggests octahedral geometry around each vanadium center in the solid-state. To access the benefits of heterogeneous catalysis, vanadium(V) dioxido complexes were anchored into the polymeric chain of chloromethylated polystyrene. All the synthesized neat and supported vanadium complexes have been studied by a number of techniques to confirm their structural and functional properties. Bromoperoxidase activity of the synthesized vanadium(V) dioxido complexes 3 and 4 was examined by carrying out oxidative bromination of salicylaldehyde and oxidation of thioanisole. In the presence of hydrogen peroxide, 3 shows 94.4% conversion ( TOF value of 2.739 × 10² h⁻¹) and 4 exhibits 79.0% conversion (TOF value of 2.403 × 10² h⁻¹) for the oxidative bromination of salicylaldehyde where 5-bromosalicylaldehyde appears as the major product. Catalysts 3 and 4 also efficiently catalyze the oxidation of thioanisole in the presence of hydrogen peroxide where sulfoxide is observed as the major product. Covalent attachment of neat catalysts 3 and 4 into the polymer chain enhances substrate conversion (%) and their catalytic efficiency increases many folds, both in the oxidative bromination and oxidation of thioether. Polymer supported catalysts 5 displayed 98.8% conversion with a TOF value of 1.127 × 10⁴ h⁻¹ whereas catalyst 6 showed 95.7% conversion with a TOF value of 4.675 × 10³ h⁻¹ for the oxidative bromination of salicylaldehyde. These TOF values are the highest among the supported vanadium catalysts available in the literature for the oxidative bromination of salicylaldehyde.     

Simultaneous high-performance thin-layer chromatography analysis of phytoconstituents and antioxidant potential of Inula grandiflora Willd. from India

JPC – Journal of Planar Chromatography – Modern TLC - The Inula genus has been used for the cure of pulmonary, heart diseases and also acts as a rejuvenator, immunomodulator in...     

K-theory of Prüfer domains

Archiv der Mathematik - In this article, we show that the homotopy invariance of K-theory holds for rings of weak global dimension at most one. Prüfer domains are examples of such rings. We...     

On nonsmooth V-invexity and vector variational-like inequalities in terms of the Michel–Penot subdifferentials

In this paper, we establish some results which exhibit an application for Michel–Penot subdifferential in nonsmooth vector optimization problems and vector variational-like inequalities. We formulate vector variational-like inequalities of Stampacchia and Minty type in terms of the Michel–Penot subdifferentials and use these variational-like inequalities as a tool to solve the vector optimization problem involving nonsmooth V-invex function. We also consider the corresponding weak versions of the vector variational-like inequalities and establish various results for the weak efficient solutions.     

Synthesis and characterization of ETS-10: supported hollow carbon nano-polyhedrons nanosorbent for adsorption of krypton at near ambient temperatures

Hollow carbon nano-polyhedrons (HCNPHs) supported on Engelhard Titanosilicate-10 (ETS-10) were synthesized by wet impregnation technique using tetrahydrofuran as a solvent. Synthesized HCNPHs/ETS-10 nanosorbent was characterized by X-ray diffraction, Raman spectra, N₂-adsorption–desorption isotherm, BET surface area, and scanning electron microscopy to confirm the morphology and uniformity of carbon particles ranging from 50 to 70 nm in diameter. Sorption characteristics of this nanosorbent for krypton at various carbon loadings were determined using a bench-scale column apparatus. The dynamic sorption capacity of HCNPHs/ETS-10 nanosorbent calculated from the breakthrough curve, 0.75 mmol/kg, which was ~15 % higher than for that of activated carbon. The effect of temperature on the adsorption capacity was studied between 263–293 K. Operational capacity of the nanosorbent was found to be 0.45 mmol/kg at 263 K. The experimental results indicate that 10 wt% HCNPHs/ETS-10 nanosorbent showed promising results for krypton adsorption, indicating its potential as an economical and active sorbent for krypton removal from the off-gas streams resulting from operations for recycle of used nuclear fuel.     

Calorimetric study of Sb-modified Ge–Se–Te glassy alloys

The glassy compositions of Ge ₁₆ Se ₅₂ Te _32?x Sb _x system, obtained using rapid melt quenching technique, have been characterized by calorimetric study at different heating rates in this study. A systematic investigation of the crystallization kinetics is carried out for these compositions. Composition corresponding to atomic % 8 of Sb has good thermal stability. The material exhibits the unique thermal properties, which makes it suitable to use for electrical or memory switching devices. Various thermal parameters, activation energies of glass transition and crystallization are calculated using relevant approaches.