Design Strategies toward High-Utilization Zinc Anodes for Practical Zinc-Metal Batteries.

Aqueous Zn-metal batteries (AZMBs) hold a promise as the next-generation energy storage devices due to their low cost and high specific energy. However, the actual energy density falls far below the requirements of commercial AZMBs due to the use of excessive Zn as anode and the associated issues including dendritic growth and side reactions. Reducing the N/P ratio (negative capacity/positive capacity) is an effective approach to achieve high energy density.

Comparative Study on the Flame Retardancy and Retarding Mechanism of Rare Earth (La, Ce, and Y)-Based Organic Frameworks on Epoxy Resin.

In this work, a series of rare earth-based metal-organic frameworks (RE-MOFs) with the same organic ligand were synthesized and studied as flame retardants on epoxy. Through thermogravimetric analysis, limiting oxide index, UL-94, and cone calorimeter tests, a Y-based MOF (Y-MOF) showed the best flame retardancy compared with a La-based MOF (La-MOF) and Ce-based MOF (Ce-MOF). Further research with Raman, X-ray photoelectron spectroscopy, and theoretical calculation revealed that the reasons for the different flame retardance performances of RE-MOFs resulted from the catalytic carbonizing abilities and the radical-trapping abilities of La, Ce, and Y.

Fast Independent Component Analysis Algorithm-Based Diagnosis of L5 Nerve Root Compression and Changes of Brain Functional Areas Using 3D Functional Magnetic Resonance Imaging.

In this paper, the application of 3-dimensional (3D) functional magnetic resonance imaging (FMRI) in the diagnosis of the 5 lumbar (L5) nerve root compression and brain functional areas in patients with lumbar disc herniation (LDH) was analyzed. The traditional fast independent component analysis (Fast ICA) algorithm was optimized based on the modified whitening matrix to establish a new type of Modified-Fast ICA (M-Fast ICA) algorithm that was compared with the introduced traditional Fast ICA and ICA. M-Fast ICA was applied to the 3D FMRI diffusion tensor imaging (DTI) evaluation of 65 patients with L5 nerve root pain due to LDH (group A) and 50 healthy volunteers (group B).

Metal-Organic Framework-Derived Strategy for Improving Catalytic Performance of a Chromia-Based Catalyst in the Chlorine/Fluorine Exchange Reactions for Unsaturated Fluorocarbons.

Hydrofluoroolefins (HFOs) and cyclic hydrofluorocarbons (c-HFCs) have been the most favored alternatives of the ozone depletion substances; however, because of the poor performance of the present chlorine/fluorine (Cl/F) exchange catalysts, the development and production of HFOs and c-HFCs are hindered. Here, we first report a novel and facile route to fabricate high-performance Cl/F exchange catalysts via a metal-organic framework (MOF) carbonization method. The MOF-derived catalyst not only has high selectivity but also can significantly lower the reaction temperature.

Construction of MnO nanoparticles anchored on SiC whiskers for superior electromagnetic wave absorption.

MnO nanoparticles (MnONP) decorated SiC whiskers (SiCw) with superior electromagnetic (EM) wave absorption performances were successfully synthesized by combining a hydrothermal and thermal annealing process. The microstructural feature and the content of MnONP of these MnONP/SiCw composites could be effectively controlled by the hydrothermal temperature, resulting in the adjustable EM wave absorption capacity. Compared with the poor EM wave absorption property of pristine SiCw (-10.

From metal-organic framework to morphology- and size-controlled 3D mesoporous CrO toward a high surface area and enhanced volatile organic compound oxidation catalyst.

Morphology- and size-controlled 3D mesoporous CrO have always been a research hotspot due to their wide applications. Herein, we for the first time report that the carbonized Cr-MOFs can ignite spontaneously at room temperature and form the corresponding 3D mesoporous CrO with high specific surface areas (219.25 to 303.

Isoelectronic analogues of graphene: the BCN monolayers with visible-light absorption and high carrier mobility.

By employing particle-swarm optimization (PSO) and first-principles computations, we theoretically predicted five stable phases of graphene-like borocarbonitrides (g-BCN) with the stoichiometric ratio of 1:1:1 and uniformly distributed B, C, N atoms, which are the isoelectronic analogues of graphene. These g-BCN monolayers are effectively stabilized by their relatively high proportion of robust C-C or B-N bonds and strong partial ionic-covalent B-C and C-N bonds within them, leading to pronounced thermal and kinetic stability. The visible-light absorption and high carrier mobility of the investigated g-BCN monolayers indicate their possible applications in high-efficiency photochemical processes and electronic devices.

Prediction of Kinetic Isotope Effects for Various Hydride Transfer Reactions Using a New Kinetic Model.

In this work, kinetic isotope effect (KIEself) values of 68 hydride self-exchange reactions, XH(D) + X(+) → X(+) + XH(D), in acetonitrile at 298 K were determined using a new experimental method. KIE values of 4556 hydride cross transfer reactions, XH(D) + Y(+) → X(+) + YH(D), in acetonitrile were estimated from the 68 determined KIEself values of hydride self-exchange reactions using a new KIE relation formula derived from Zhu's kinetic equation and the reliability of the estimations was verified using different experimental methods. A new KIE kinetic model to explain and predict KIE values was developed according to Zhu's kinetic model using two different Morse free energy curves instead of one Morse free energy curve in the traditional KIE theories to describe the free energy changes of X-H bond and X-D bond dissociation in chemical reactions.

A classical but new kinetic equation for hydride transfer reactions.

A classical but new kinetic equation to estimate activation energies of various hydride transfer reactions was developed according to transition state theory using the Morse-type free energy curves of hydride donors to release a hydride anion and hydride acceptors to capture a hydride anion and by which the activation energies of 187 typical hydride self-exchange reactions and more than thirty thousand hydride cross transfer reactions in acetonitrile were safely estimated in this work. Since the development of the kinetic equation is only on the basis of the related chemical bond changes of the hydride transfer reactants, the kinetic equation should be also suitable for proton transfer reactions, hydrogen atom transfer reactions and all the other chemical reactions involved with breaking and formation of chemical bonds. One of the most important contributions of this work is to have achieved the perfect unity of the kinetic equation and thermodynamic equation for hydride transfer reactions.

Enzyme-mimetic catalyst-modified nanoporous SiO2-cellulose hybrid composites with high specific surface area for rapid H2O2 detection.

Mesoporous silica-cellulose hybrid composites were prepared by surface sol-gel coating process on nature cellulose substance. The template CTAB (hexadecyl trimethyl ammonium Bromide) in the silica film can be removed by extraction to obtain high specific surface area (80.7 m(2) g(-1)), which is 2 orders of magnitude higher than that of raw cellulose.

Conversion and origin of normal and abnormal temperature dependences of kinetic isotope effect in hydride transfer reactions.

The effects of substituents on the temperature dependences of kinetic isotope effect (KIE) for the reactions of the hydride transfer from the substituted 5-methyl-6-phenyl-5,6-dihydrophenanthridine (G-PDH) to thioxanthylium (TX(+)) in acetonitrile were examined, and the results show that the temperature dependences of KIE for the hydride transfer reactions can be converted by adjusting the nature of the substituents in the molecule of the hydride donor. In general, electron-withdrawing groups can make the KIE to have normal temperature dependence, but electron-donating groups can make the KIE to have abnormal temperature dependence. Thermodynamic analysis on the possible pathways of the hydride transfer from G-PDH to TX(+) in acetonitrile suggests that the transfers of the hydride anion in the reactions are all carried out by the concerted one-step mechanism whether the substituent is an electron-withdrawing group or an electron-donating group.

What are the differences between ascorbic acid and NADH as hydride and electron sources in vivo on thermodynamics, kinetics, and mechanism?

Ascorbic acid (AscH(2)) and dihydronicotinamide adenine dinucleotide (NADH) are two very important natural redox cofactors, which can be used as hydride, electron, and hydrogen atom sources to take part in many important bioreduction processes in vivo. The differences of the two natural reducing agents as hydride, hydrogen atom, and electron donors in thermodynamics, kinetics, and mechanisms were examined by using 5,6-isopropylidene ascorbate (iAscH(-)) and β-D-glucopyranosyl-1,4-dihydronicotinamide acetate (GluNAH) as their models, respectively. The results show that the hydride-donating ability of iAscH(-) is smaller than that of GluNAH by 6.

Actual structure, thermodynamic driving force, and mechanism of benzofuranone-typical compounds as antioxidants in solution.

5,7-Ditert-butyl-3-(3,4-dimethylphenyl)benzofuran-2(3H)-one (HP-136) (1H) and its 30 analogues (2H-5H) as benzofuranone-typical antioxidants were synthesized. The structures of the benzofuranones in solid and solution were examined by using experimental and theoretical methods. The results show that the dominant structure is the lactone form rather than the enol form both in solid and solution.

Immobilization of penicillin G acylase on poly[(glycidyl methacrylate)-co-(glycerol monomethacrylate)]-grafted magnetic microspheres.

Poly[(glycidyl methacrylate)-co-(glycerol monomethacrylate)]-grafted magnetic microspheres were prepared by graft random copolymerization via ATRP from polymer microspheres with dispersed Fe(3)O(4) nanoparticles. Penicillin G acylase (PGA) was immobilized onto the polymer brush-grafted magnetic microspheres. The immobilized PGA prepared with initial glycidyl methacrylate/glycerol monomethacrylate ratios of 40/60 to 60/40 possessed higher catalytic activity than that prepared with higher proportions of glycidyl methacrylate in the initial monomer mixture.