Non-competitive immunoassay for zearalenone based on phage display developed recombinant antibody and anti-immunocomplex peptide.

Zearalenone (ZEN) is a widely distributed mycotoxin with potent estrogenic activity. Detecting ZEN is crucial for assessing its potential health risks. This study developed a highly sensitive non-competitive magnetic phage anti-immunocomplex immunoassay (Nc-MPHAIA) for ZEN detection, utilizing the anti-ZEN single-chain variable fragment (ScFv) and anti-immunocomplex peptide (AIcP), both of which were screened using phage display technology.

Theoretical Investigation of Two-Dimensional FeC Structures with Surface Van Hove Singularity for Electrochemical Nitric Oxide Reduction Reaction.

The electrochemical nitric oxide reduction reaction (eNORR) is an efficient method for converting aqueous NO into NH. The pursuit of innovative electrocatalysts with enhanced activity, selectivity, durability, and cost-effectiveness for NORR remains a research focus. In this study, using particle swarm optimization (PSO) searches, density functional theory (DFT), and the constant-potential method (CPM), we predict two stable two-dimensional FeC monolayers, designated as α-FeC and β-FeC, as promising electrocatalysts for the NORR.

Nudge theories and strategies influencing adult health behaviors and outcomes in COPD management: a systematic review.

Objective: Chronic obstructive pulmonary disease (COPD) is a chronic respiratory disease with high prevalence and mortality, and self-management is a key component for better outcomes of COPD. Recently, nudging has shown promising potential in COPD management. In the present study, we conducted a systematic review to collate the list of nudges and identified the variables that influence nudging.

The critical role of NLRP3 inflammasome activation in Streptococcus suis-induced blood-brain barrier disruption.

Streptococcus suis (S. suis) type 2 (SS2) is an important zoonotic pathogen causing severe neural infections in pigs and causes serious threat to public health. Inflammasome activation plays an important role in the host against microbial infection but the role of inflammasome activation in the blood-brain barrier (BBB) integrity during S.

2D-MnC: An Optimal Electrocatalyst with Nonbonding Multiple Single Centers for CO-to-CH Conversion.

The CO reduction reaction (CORR) is a promising method that can both mitigate the greenhouse effect and generate valuable chemicals. The 2D-MC with high-density transition metal single atoms is a potential catalyst for various catalytic reactions. Using an effective strategy, we screened 1s-MnC as the most promising electrocatalyst for the CORR in the newly reported 2D-MC family.

Influence of Zr aggregation on Li-ion conductivity of amorphous solid-state electrolyte Li-La-Zr-O.

In our study, we investigated the influence of the local structure of amorphous Li-La-Zr-O (a-LLZO) on Li-ion conductivity using ab initio molecular dynamics (AIMD). A-LLZO has shown promising properties in inhibiting the growth of lithium dendrites, making it a potential candidate for solid electrolytes in all-solid-state lithium batteries. The low Li-ion conductivity of a-LLZO is currently limiting its practical applications.

Chemical Bonding and Activity of Atomically Dispersed Silicon in Two- and Three-Dimensional Materials.

On the basis of the especially tunable electronic property of Si, several kinds of nanomaterials with atomically dispersed Si were constructed and characterized by extensive first-principles calculations and molecular dynamics (AIMD) simulations. The new-type Si(X≡Y) wide-bandgap semiconductors featuring through-space d-π* hyperconjugation exhibit unique properties in photoelectric conversion, photoconductivity, structural mechanics, etc. The SiC siligraphene with the planar tetracoordinate Si (ptSi) has a high lithium-storage capacity and comparably facile surface migration behaviors of both Li and Li, making it a promising anode material for high-performance Li-ion batteries.

[The application of PCR-SSP with the serology in identification and genotyping of ABO ambiguous blood group].

Objective To investigate the effect of blood group serology and polymerase chain reaction with sequence-specific primers (PCR-SSP) on identification and genotyping of ambiguous ABO blood group. Methods Eighty suspicious ABO blood group samples were identified by serology and polymerase chain reaction with sequence-specific primers (PCR-SSP). The final blood group type and the strategy of the transfusion of each case were determined according to the results of serology and PCR-SSP.

Impact of Prenatal Acetaminophen Exposure for Hippocampal Development Disorder on Mice.

Non-steroidal anti-inflammatory drugs (NSAIDs) are widely used as analgesic agents. They have been detected in various environmental matrices. The degradation of environmental contaminants and the long-term adverse effects have become a major public concern.

Exploiting the Momentum Distribution in Atomically Confined Plasmonic Fields by Inelastic Scatterings.

The utilization of atomically confined plasmonic fields has revolutionized the imaging technique. According to the fundamental position-momentum uncertainty principle, such a narrow spatial distribution certainly leads to a broad momentum distribution in the fields, which has however been overlooked. Here we propose a novel exploitation for the momentum distribution by adaptively satisfying the conservation law of momentum in inelastic Raman scatterings in periodic systems, providing a unique optical means of directly measuring the whole phonon dispersions.

Study on the Photocatalytic Properties of Flower-Shaped SnO.

Using cetyltrimethylammonium bromide (CTAB) as the surfactant from the precursors of SnCl·2HO, the flower-shaped nano composite of tin oxide (SnO) is prepared by the simple eco-friendly hydrothermal method. We can see that the as-prepared SnO sample has a rutile phase crystal structure with regular-shaped nanosheets, and the nanosheets were cross-assembled to form nanoflowers. The band gap of the as-prepared SnO sample is 2.

Unraveling the Catalytic Performance of the Nonprecious Metal Single-Atom-Embedded Graphitic -Triazine-Based CN for CO Hydrogenation.

Graphitic carbon nitride (g-CN) is regarded as a promising potent photoelectrocatalyst for CO reduction. Here, extensive first-principles calculations and ab initio molecular dynamics (AIMD) simulations are performed to systematically explore the structural and electronic properties of nonprecious metal single-atom-embedded graphitic s-triazine-based CN (M@gt-CN, M = Mn, Fe, Co, Ni, Cu, and Mo) monolayer materials and their catalytic performances as the single-atom catalysts (SACs) for CO hydrogenation to HCOOH, CO, and CHOH. It is found that the atomically dispersed non-noble metal Mn, Fe, Co, and Mo sites anchored on gt-CN can efficiently activate both H and CO, and their coadsorbed state serves as a precursor to the hydrogenation of CO to different C1 products.

NLRP6 Serves as a Negative Regulator of Neutrophil Recruitment and Function During Infection.

is an invasive pathogen with high morbidity and mortality in the immunocompromised children and elderly. NOD-like receptor family pyrin domain containing 6 (NLRP6) plays an important role in the host innate immune response against pathogen infections. Our previous studies have shown that NLRP6 plays a negative regulatory role in host defense against , but the underlying mechanism is still unclear.

Quantum spin Hall effect in tilted penta silicene and its isoelectronic substitutions.

Silicene, a competitive two-dimensional (2D) material for future electronic devices, has attracted intensive attention in condensed matter physics. Utilizing an adaptive genetic algorithm (AGA), we identify a topological allotrope of silicene, named tilted penta () silicene. Based on first-principles calculations, the geometric and electronic properties of silicene and its isoelectronic substitutions (Ge, Sn) are investigated.

Charge Compensation Mechanisms and Oxygen Vacancy Formations in LiNiCoMnO: First-Principles Calculations.

Charge compensation mechanisms in the delithiation processes of LiNiCoMnO (NCM111) are compared in detail by the first-principles calculations with GGA and GGA+ methods under different values reported in the literature. The calculations suggested that different sets of values lead to different charge compensation mechanisms in the delithiation process. Co/Co couples were shown to dominate the redox reaction for 1 ≥ ≥ 2/3 by using the GGA+ method ( = 6.

Tunable Electric and Magnetic Properties of Transition Metal@N C -Graphene Materials by Different Metal and Defect Types.

Transition metal@N C -graphene (TM@N C -GR) materials have been widely used as redox reaction catalysts in the field of fuel cells due to their low cost and high performance. In the present work, we systematically investigate the effect of different metal and defect types on the electro-magnetic properties of TM@N C -GR materials using first principles calculations. Our simulations show that TM@N -GR (the minimum defect size) and TM@N -GR (the maximum defect size) materials always possess metallic property regardless the metal type.

First-Principles Observation of Bonded 2D BC Bilayers.

Two-dimensional (2D) B-C compounds possess rich allotropic structures with many applications. Obtaining new 2D BC structures is highly desirable due to the novel applications of three-dimensional (3D) BC in protections. In this work, we proposed a new family of 2D BC from the first-principles calculations.

Single Mn Atom Anchored on Nitrogen-Doped Graphene as a Highly Efficient Electrocatalyst for Oxygen Reduction Reaction.

Single Mn atom on nitrogen-doped graphene (MnN -G) has exhibited good structural stability and high activity for the adsorption and dissociation of an O molecule, becoming a promising single-atom catalyst (SAC) candidate for oxygen reduction reaction (ORR). However, the catalytic activity of MnN -G for the ORR and the optimal reaction pathway remain obscure. In this work, density-functional theory calculations were employed to comprehensively investigate all the possible pathways and intermediate reactions of the ORR on MnN -G.

Spin Polarization-Induced Facile Dioxygen Activation in Boron-Doped Graphitic Carbon Nitride.

Dioxygen (O) activation is a vital step in many oxidation reactions, and a graphitic carbon nitride (g-CN) sheet is known as a famous semiconductor catalytic material. Here, we report that the atomic boron (B)-doped g-CN (B/g-CN) can be used as a highly efficient catalyst for O activation. Our first-principles results show that O can be easily chemisorbed at the B site and thus can be highly activated, featured by an elongated O-O bond (∼1.

Rational integration of spatial confinement and polysulfide conversion catalysts for high sulfur loading lithium-sulfur batteries.

Spatial confinement is a desirable successful strategy to trap sulfur within its porous host and has been widely applied in lithium-sulfur (Li-S) batteries. However, physical confinement alone is currently not enough to reduce the lithium polysulfide (LiS, 4 ≤n≤ 8, LIPSs) shuttle effect with sluggish LIPS-dissolving kinetics. In this work, we have integrated spatial confinement with a polar catalyst, and designed a three-dimensional (3D) interconnected, Co decorated and N doped porous carbon nanofiber (Co/N-PCNF) network.

Ultrahigh conductivity of graphene nanoribbons doped with ordered nitrogen.

Graphene is an attractive candidate for developing high conductivity materials (HCMs) owing to an extraordinary charge mobility. While graphene itself is a semi-metal with an inherently low carrier density, and methods used for increasing carrier density normally also cause a marked decrease in charge mobility. Here, we report that ordered nitrogen doping can induce a pronounced increase in carrier density but does not harm the high charge mobility of graphene nanoribbons (GNRs), giving rise to an unprecedented ultrahigh conductivity in the system.

Covalent organic framework with high capacity for the lithium ion battery anode: insight into intercalation of Li from first-principles calculations.

Covalent organic frameworks (COFs) generally have high stability, large charge capacity and wide ion diffusion paths, and they may serve as the potential electrode materials for lithium ion batteries. Here we explored the structural, electronic, and lithium-storage properties of the newly synthesized NUS-2 COF material by first-principles calculations. The present results indicate that the micropore environment and the presence of the carbonyl oxygens in the NUS-2 COF can prevent the formation of lithium dimer and the aggregation of lithium bulk, which can improve lithiation efficiency.

Tunable Electronic and Magnetic Properties of Graphene-Embedded Transition Metal-N Complexes: Insight From First-Principles Calculations.

Motivated by the development of transition-metal-nitrogen-carbon (TM-N-C) materials for catalysts and molecular electronics, we investigated the electronic and magnetic properties of TMN -graphene materials with different central atoms (TM=Ti, V, Cr, Mn, Fe, Co, Ni and Cu) and different concentrations. The first-principles results show that a widely tunable magnetic moment in the range from 0 to 4 μ can be obtained in this kind of material by varying the central TM atom, and a regular transition of the electronic property from metallic to half-metallic and to semiconducting characteristics is observed in MnN -graphene upon changing the concentration. We find that the peculiar relationship between the electronic characteristics of graphene and its lattice parameters plays a decisive role in determining the electronic and magnetic properties.