First-principles surface reaction rates by ring polymer molecular dynamics and neural network potential: role of anharmonicity and lattice motion.

Elementary gas-surface processes are essential steps in heterogeneous catalysis. A predictive understanding of catalytic mechanisms remains challenging due largely to difficulties in accurately characterizing the kinetics of such steps. Experimentally, thermal rates for elementary surface reactions can now be measured using a novel velocity imaging technique, providing a stringent testing ground for rate theories.

Refining eligibility criteria of unit selection for myeloablative cord blood transplantation in acute leukemia: Real-world experience of a referral center.

The algorithm for cord blood (CB) unit selection is still somewhat ambiguous. We retrospectively analyzed 620 cases of acute leukemia between 2015 and 2020, who were treated with myeloablative single-unit umbilical CB transplantation (UCBT). We found that, when human leukocyte antigen (HLA) mismatch was ≤3/10, CD34 cell dosage <0.

Band splitting and enhanced charge density wave modulation in Mn-implanted CsVSb.

Kagome metal CsVSb has attracted unprecedented attention due to the charge density wave (CDW), Z topological surface states and unconventional superconductivity. However, how the paramagnetic bulk CsVSb interacts with magnetic doping is rarely explored. Here we report a Mn-doped CsVSb single crystal successfully achieved by ion implantation, which exhibits obvious band splitting and enhanced CDW modulation angle-resolved photoemission spectroscopy (ARPES).

Ketogenic diet protects MPTP-induced mouse model of Parkinson's disease via altering gut microbiota and metabolites.

The ketogenic diet (KD) is a low-carbohydrate, high-fat regime that is protective against neurodegenerative diseases. However, the impact of KD on Parkinson's disease (PD) and its mechanisms remains unclear. 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP)-induced mouse model of PD was fed with KD for 8 weeks.

Pd-doped HKUST-1 MOFs for enhanced hydrogen storage: effect of hydrogen spillover.

Extensive research has been devoted to developing metal nanoparticle (NP) doped porous materials with large hydrogen storage capacity and high hydrogen release pressure at ambient temperature. The ultra-sound assisted double-solvent approach (DSA) was applied for sample synthesis. In this study, tiny Pd NPs are confined into the pore space of HKUST-1, affording Pd@HKUST-1-DS with minimizing the aggregation of Pd NPs and subsequently the formation of Pd NPs on the external surface of HKUST-1.

Repurposing clinically available drugs and therapies for pathogenic targets to combat SARS-CoV-2.

The coronavirus disease 2019 (COVID-19) pandemic has affected a large portion of the global population, both physically and mentally. Current evidence suggests that the rapidly evolving coronavirus subvariants risk rendering vaccines and antibodies ineffective due to their potential to evade existing immunity, with enhanced transmission activity and higher reinfection rates that could lead to new outbreaks across the globe. The goal of viral management is to disrupt the viral life cycle as well as to relieve severe symptoms such as lung damage, cytokine storm, and organ failure.

Pt nanoparticle dispersed Ni(OH) nanosheets a pulsed laser deposition method efficiently enhanced hydrogen evolution reaction performance in alkaline conditions.

The use of electrochemical water is a very attractive and environmentally friendly solution for hydrogen fuel production. Platinum (Pt) catalysts are considered to be the most active catalyst for the hydrogen evolution reaction (HER) but suffer from low efficiency and slow kinetics. Herein, Pt nanoparticles dispersed Ni(OH) nanosheets (Pt-Ni(OH)-) with different deposition times were designed and developed a vapour-phase hydrothermal method, followed by a pulsed laser deposition method.

Functional characterization, structural basis, and regio-selectivity control of a promiscuous flavonoid 7,4'-di--glycosyltransferase from var. .

A highly efficient and promiscuous 7,4'-di--glycosyltransferase ZjOGT3 was discovered from the medicinal plant var. . ZjOGT3 could sequentially catalyse 4'- and 7--glycosylation of flavones to produce 7,4'-di--glycosides with obvious regio-selectivity.

Self-Polarization Triggered Multiple Polar Units Toward Electrochemical Reduction of CO to Ethanol with High Selectivity.

Electrochemical conversion of CO to highly valuable ethanol has been considered a intriguring strategy for carbon neutruality. However, the slow kinetics of coupling carbon-carbon (C-C) bonds, especially the low selectivity ethanol than ethylene in neutral conditions, is a significant challenge. Herein, the asymmetrical refinement structure with enhanced charge polarization is built in the vertically oriented bimetallic organic frameworks (NiCu-MOF) nanorod array with encapsulated Cu O (Cu O@MOF/CF), which can induce an intensive internal electric field to increase the C-C coupling for producing ethanol in neutral electrolyte.

The effect of cochlear size on electrically evoked auditory brainstem responses in deaf children.

Objectives: To investigate the relationship between auditory pathway function and cochlear size in deaf children with a radiologically normal inner ear or Mondini malformation.

Methods: Thirty-five deaf children without inner ear malformations (IEMs) and forty cases with Mondini malformation were included in this study. The electrically evoked auditory brainstem responses (EABRs) evoked by electrical stimulation at the round window niche (RWN) and round window membrane (RWM) were recorded during cochlear implantation (CI) surgery.

Synergistic interface between metal Cu nanoparticles and CoO for highly efficient hydrogen production from ammonia borane.

The development of efficient non-noble metal catalysts for the dehydrogenation of hydrogen (H) storage materials is highly desirable to enable the global production and storage of H energy. In this study, Cu -(CoO) /TiO catalysts with a Cu-CoO interface supported on TiO are shown to exhibit high catalytic efficiency for ammonia borane (NHBH) hydrolysis to generate H. The best catalytic activity was observed for a catalyst with a Cu : Co molar ratio of 1 : 1.

Bioinspired nucleobase-containing polyelectrolytes as robust and tunable adhesives by balancing the adhesive and cohesive properties.

Supramolecular polymeric adhesives inspired by nature have been strongly pursued by scientists, since they possess strong but dynamic reversible adhesive behaviors concurrently. Optimizing the adhesive and cohesive properties is of vital importance for the fabrication of strong supramolecular polymeric adhesives, but common strategies often strengthen one property at the expense of another. Herein, counterion exchange of nucleobase-containing polyelectrolyte adhesives was utilized to boost the interfacial adhesion without compromising the intermolecular cohesion, achieving high adhesion strengths.

Clinical Diagnostic Value of Serum 25-Hydroxyvitamin D in Severe Fever with Thrombocytopenia Syndrome.

Purpose: Severe Fever with Thrombocytopenia Syndrome (SFTS) is an infectious disease with rapid onset and high case fatality rate. The study was to explore the clinical value by examining the serum level of 25-hydroxyvitamin D (25 (OH) D) in SFTS patients.

Methods: One hundred and five patients and 156 healthy controls were included.

Nanowires exfoliated from one-dimensional van der Waals transition metal trihalides and quadrihalides.

The exfoliation of van der Waals (vdW) materials has been widely used to fabricate two-dimensional (2D) materials. However, the exfoliation of vdW materials to isolate atomically thin nanowires (NWs) is an emerging research topic. In this letter, we identify a large class of transition metal trihalides (TMX), which have one-dimensional (1D) vdW structures, , they comprise columns of face-sharing TMX octahedral chains, whereas the chains are bound by weak vdW forces.

Electrochemical ammonia synthesis by reduction of nitrate on Au doped Cu nanowires.

Electrochemical nitrate reduction reaction (NO RR) to synthesize valuable ammonia (NH) is considered as a green and appealing alternative to enable an artificial nitrogen cycle. However, as there are other NO RR pathways present, selectively guiding the reaction pathway towards NH is currently challenged by the lack of efficient catalyst. Here, we demonstrate a novel electrocatalyst for NO RR consisting of Au doped Cu nanowires on a copper foam (CF) electrode (Au-Cu NWs/CF), which delivers a remarkable NH yield rate of 5336.

Basic fibroblast growth factor-loaded methacrylate gelatin hydrogel microspheres for spinal nerve regeneration.

Spinal cord injury is a severe central nervous system injury, and developing appropriate drug delivery platforms for spinal nerve regeneration is highly anticipated. Here, we propose a basic fibroblast growth factor (bFGF)-loaded methacrylate gelatin (GelMA) hydrogel microsphere with ideal performances for spinal cord injury repair. Benefitting from the precise droplet manipulation capability of the microfluidic technology, the GelMA microspheres possess uniform and satisfactory size and good stability.

Multiscale quantum algorithms for quantum chemistry.

Exploring the potential applications of quantum computers in material design and drug discovery is attracting more and more attention after quantum advantage has been demonstrated using Gaussian boson sampling. However, quantum resource requirements in material and (bio)molecular simulations are far beyond the capacity of near-term quantum devices. In this work, multiscale quantum computing is proposed for quantum simulations of complex systems by integrating multiple computational methods at different scales of resolution.

Electrochemical Biomass Upgrading Coupled with Hydrogen Production under Industrial-Level Current Density.

As promising hydrogen energy carrier, formic acid (HCOOH) plays an indispensable role in building a complete industry chain of a hydrogen economy. Currently, the biomass upgrading assisted water electrolysis has emerged as an attractive alternative for co-producing green HCOOH and H in a cost-effective manner, yet simultaneously affording high current density and Faradaic efficiency (FE) still remains a big challenge. Here, the ternary NiVRu-layered double hydroxides (LDHs) nanosheet arrays for selective glycerol oxidation and hydrogen evolution catalysis are reported, which yield an industry-level 1 A cm at voltage of 1.

Interface catalytic regulation electron rearrangement and hydroxyl radicals triggered by oxygen vacancies and heavy metal ions.

Although the enhanced intrinsic activities of some nano-metal oxides are obtained by manufacturing oxygen vacancies (OVs), the effect of multiple roles of OVs is ambiguous. Herein, an interface catalytic regulation electron rearrangement and hydroxyl radicals (˙OH) was proposed with the designed ZrO hollow sphere rich in OVs (V-rich ZrO). Surprisingly, it was shown that the catalytic ability of V-rich ZrO was 9.

Overcoming the Oxygen Dilemma in Photoredox Catalysis: Near-Infrared (NIR) Light-Triggered Peroxynitrite Generation for Antibacterial Applications.

The peroxynitrite anion (ONOO ) is closely associated with many diseases and the creation of ONOO donors is an essential means of understanding its pathophysiological functions. However, it is challenging to develop ONOO donors due to the difficulties in simultaneously producing highly reactive and short-lived nitric oxide (NO) and superoxide anion (O ⋅ ). Here, we report a novel strategy for constructing ONOO donors by combining near-infrared (NIR)-mediated type I photosensitization and photoredox catalysis.

Comparison of efficacy and safety between transarterial chemoembolization (TACE) combined with lenvatinib versus TACE combined with sorafenib in the treatment of intermediate and advanced hepatocellular carcinoma.

Objective: To compare the clinical effect and safety of transcatheter arterial chemoembolization (TACE) combined with lenvatinib versus TACE combined with sorafenib in the treatment of intermediate-advanced hepatocellular carcinoma.

Methods: In this retrospective study, 84 patients with intermediate-advanced hepatocellular carcinoma admitted to the First Affiliated Hospital of Anhui Medical University and the First Affiliated Hospital of USTC from June 2019 to June 2021 were enrolled. The control group was given TACE combined with sorafenib, and the experimental group was given TACE combined with lenvatinib.

A high-performance, oxidation resistance and flexible Zn@MXene/cellulose nanofibers electromagnetic shielding film.

Next-generation wearable electromagnetic interference (EMI) materials need to be provided with oxidation resistance, lightness, and flexibility. In this study, a high-performance EMI film with synergistic enhancement of Zn@TiCT MXene/cellulose nanofibers (CNF) was found. The unique Zn@TiCT MXene/CNF heterogeneous interface facilitates the loss of interface polarization, making the total electromagnetic shielding effectiveness (EMI SE) and shielding effectiveness per unit thickness (SE/) of the films reach 60.

Coordinating zincophilic sites and a solvation shell for a dendrite-free Zn anode under the synergistic effects of polyacrylonitrile and dimethyl sulfoxide.

The advantages of aqueous zinc-ion batteries (AZIBs) are largely offset by the dendrite growth on the Zn anode, which is induced by the heterogeneous electrical field and limited ion transport of the Zn anode-electrolyte interface during plating and stripping. Here, we propose a dimethyl sulfoxide (DMSO)-HO hybrid electrolyte containing polyacrylonitrile (PAN) additives (PAN-DMSO-HO) to improve the electrical field and ion transport of the Zn anode, which can thus effectively inhibit dendrite growth. Experimental characterization and theoretical calculations show that PAN preferentially adsorbs on the Zn anode surface and provides abundant zincophilic sites after its solubilization by the DMSO, enabling a balanced electric field and lateral Zn plating.

Dynamic charge collecting mechanisms of cobalt phosphate on hematite photoanodes studied by photoinduced absorption spectroscopy.

Reaction sites, surface states, and surface loaded electrocatalysts are photoinduced charge storage sites and critical to photoelectrochemical (PEC) performance, however the charge transfer mechanisms involved in the three remain poorly understood. Herein, we studied the charge transfer processes in hematite (FeO) without/with loaded cobalt phosphate (CoPi) by photoinduced absorption (PIA) spectroscopy. The loaded CoPi receives trapped holes in surface states at low potential and directly captures holes in the valence band at high potential.

Even-Odd-Layer-Dependent Ferromagnetism in 2D Non-van-der-Waals CrCuSe.

Van der Waals (vdW) layered materials with strong magnetocrystalline anisotropy have attracted significant interest as the long-range magnetic order in these systems can survive even when their thicknesses is reduced to the 2D limit. Even though the interlayer coupling between the neighboring magnetic layers is very weak, it has a determining effect on the magnetism of these atomic-thickness materials. Herein, a new 2D ferromagnetic material, namely, non-vdW CuCrSe nanosheets with even-odd-layer-dependent ferromagnetism when laminated from an antiferromagnetic bulk is reported.