Povlsenglenn4395

Thus, the current protocol can be considered as a simpler, reproducible, and environmentally benign approach for N-methylation of amines.This work employs double-hybrid density functionals to re-examine the CO-NO bond dissociation mechanism of nitrite isomer of 1,1-diamino-2,2-dinitro-ethylene (DADNE) into (NH2)2C=C(NO2)O and nitric monoxide (NO). The calculated results confirm that an activated barrier is present in the CO-NO bond dissociation process of (NH2)2C=C(NO2)(ONO). Furthermore, it is proposed that a radical-radical adduct is involved in the exit dissociation path with subsequent dissociation to separate (NH2)2C=C(NO2)O and NO radicals. The activation and reaction enthalpies at 298.15 K for the nitrite isomer dissociation are predicted to be 43.6 and 5.4 kJ mol-1 at the B2PLYP/6-31G(d,p) level, respectively. Employing the B2PLYP/6-31G(d,p) reaction energetics, gradient, Hessian, and geometries, the kinetic model for the CO-NO bond dissociation of (NH2)2C=C(NO2)(ONO) is obtained by a fitting to the modified Arrhenius form 1.05 × 1013(T/300)0.39 exp[-27.80(T + 205.32)/R(T 2 + 205.322)] in units of per second over the temperature range 200-3000 K based on the canonical variational transition-state theory with multidimensional small-curvature tunneling.Adding a small quantity of K or Bi to a MoVTeNbO x via impregnation with inorganic solutions modifies its surface acid and redox properties and its catalytic performance in propa(e)ne partial oxidation to acrylic acid (AA) without detriment to its pristine crystalline structure. Bi-doping encourages propane oxydehydrogenation to propene, thus enlarging the net production rate of AA up to 35% more. Ozanimod nmr The easier propane activation/higher AA production over the Bi-doped catalyst is ascribed to its higher content of surface V leading to a larger amount of total V5+ species, the isolation site effect of NbO x species on V, and its higher Lewis acidity. K-doping does not affect propane oxydehydrogenation to propene but mainly acts over propene once formed, also increasing AA to a similar extent as Bi-doping. Although K-doping lowers propene conversion, it is converted more selectively to acrylic acid owing to its reduced Brønsted acidity and the presence of more Mo6+ species, thereby favoring propene transformation via the π-allylic species route producing acrylic acid over that forming acetic acid and CO x via acetone oxidation and that yielding directly CO x .Antibiotics are the primary drugs for combating Neisseria gonorrhoeae infections, but with evolving antibiotic resistance of this bacterium, new druggable molecules are needed to stem the tide of this impending public health crisis. Propolis has long been recognized for its antimicrobial properties, being composed of secondary metabolites with antibacterial potential. We herein describe the evaluation of a Jamaican multifloral propolis for antibacterial activity against N. gonorrhoeae. The bioassay-guided evaluation of the ethyl acetate extract yielded (+)-medicarpin (1), whose final structure was elucidated based on spectral analysis and comparison with the known metabolites. Compound (1) selectively inhibited N. gonorrhoeae with a minimum inhibitory concentration value of 0.25 mg/mL, showing an additive effect against N. gonorrhoeae when combined with vancomycin.The interaction of neural progenitor cells (NPCs) with the extracellular matrix (ECM) plays an important role in neural tissue regeneration. Understanding which motifs of the ECM proteins are crucial for normal NPC adhesion, proliferation, and differentiation is important in order to create more adequate tissue engineered models of neural tissue and to efficiently study the central nervous system regeneration mechanisms. We have shown earlier that anisotropic matrices prepared from a mixture of recombinant dragline silk proteins, such as spidroin 1 and spidroin 2, by electrospinning are biocompatible with NPCs and provide good proliferation and oriented growth of neurites. This study objective was to find the effects of spidroin-based electrospun materials, modified with peptide motifs of the extracellular matrix proteins (RGD, IKVAV, and VAEIDGIEL) on adhesion, proliferation, and differentiation of directly reprogrammed neural precursor cells (drNPCs). The structural and biomechanical studies have shown thatr other substances, one may create an in vitro model for the neuroglial stem cell niche with the potential control of their differentiation.The ionomers distributed on carbon particles in the catalyst layer of polymer electrolyte fuel cells (PEFCs) govern electrical power via proton transport and oxygen permeation to active platinum. Thus, ionomer distribution is a key to PEFC performance. This distribution is characterized by ionomer adsorption and deposition onto carbon during the catalyst-ink coating process; however, the adsorbed and deposited ionomers cannot easily be distinguished in the catalyst layer. Therefore, we identified these two types of ionomers based on the positional correlation between the ionomer and carbon particles. The cross-correlation function for the catalyst layer was obtained by small-angle neutron scattering measurements with varying contrast. From fitting with a model for a fractal aggregate of polydisperse core-shell spheres, we determined the adsorbed-ionomer thickness on the carbon particle to be 51 Å and the deposited-ionomer amount for the total ionomer to be 50%. Our technique for ionomer differentiation can be used to optimally design PEFC catalyst layers.A novel halogen- and phosphorus-free intrinsic flame-retardant foam is fabricated from curable phenol-terminated polyphenylene ether resin with a high molecular weight using phenol, formaldehyde, and diphenyl ether as starting materials. The limiting oxygen index (LOI) of the pure foam is 24.90% ± 0.28. When 0.5 wt % silica sol is added, the LOI of the foam (SPF-0.5) is up to 28.5% ± 0.15 and both the combustion heat release rate and total combustion heat are low. Moreover, the SPF-0.5 foam exhibits high carbon residue, high compressive strength, and low pulverization rate and is superior to some previously reported phenolic foam. The flame-retardant mechanism includes the condensed-phase flame retardation and the gas-phase flame retardation, with the former being the main step, which is based on the high cross-linking density, the higher strength and smaller size of foam cells, and the formation of a carbon-silicon compound in the foam. This halogen- and phosphorous-free flame-retardant foam is also environmentally benign.