Electrochemical reduction of naturally abundant nitrogen (N) under ambient conditions is a promising method for ammonia (NH) synthesis, while the development of a highly active, stable and low-cost catalyst remains a challenge. Herein, the N reduction reaction of TM@g-BCN in electrochemical nitrogen reduction has been systematically investigated using density functional theory (DFT) calculations and compared with that of TM@g-CN. It was found that TM atoms are more stably anchored to g-BCN than to g-CN.
View Article and Find Full Text PDFIn preclinical studies, GST-HG141, a novel hepatitis B virus (HBV) capsid assembly modulator displayed potent anti-HBV activity in vitro and strong efficacy in HBV animal models. A randomized, double-blind, ascending phase 1b trial assessed the pharmacokinetics, safety, and efficacy of GST-HG141 in chronic hepatitis B (CHB) individuals. Thirty treatment-naïve CHB patients were enrolled in three cohorts (25, 50, and 100 mg twice orally after meals daily) over 28 days, with 10 subjects per cohort (8:2 ratio for GST-HG141 and placebo).
View Article and Find Full Text PDFPhenols and parabens, as endocrine-disrupting chemicals (EDCs), are prevalent in daily consumer products and industrial applications. Folate, a vital vitamin, plays a crucial role in numerous metabolic processes. The interaction between EDCs and folate is not well understood and warrants investigation.
View Article and Find Full Text PDFEthnopharmacological Relevance: Reynoutria japonica has been utilized as a potential treatment for gastrointestinal disorders in Traditional Chinese Medicine (TCM). However, the efficacy and mechanism of its aqueous extracts on damp-heat ulcerative colitis (UC) remains unclear.
Aim Of The Study: Investigating the modulating effect of aqueous extracts of Reynoutria japonica (AERJ) on gut microbiota and fecal metabolisms in mice with damp-heat UC.
Necrophagous phorid flies are common insects found on buried corpses, and their developmental data play a crucial role in estimating the post-burial interval (PBI). This study aimed to investigate the effects of soil type and moisture content on some life cycle parameters of two forensically important insects, (Loew, 1866) and (Bigot, 1857) (Diptera: Phoridae). Larval and pupal survival, development time, and larval body length of and were observed in three different soil types (loamy sand, sandy loam A, and sandy loam B) with six moisture contents (0%, 20%, 40%, 60%, 80%, and 100%).
View Article and Find Full Text PDFObjective: This study aimed to investigate the association of maternal first-trimester vitamin D levels and vitamin D supplementation during pregnancy with infant atopic dermatitis (AD) and to determine the effect of variables such as mode of conception on the association.
Methods: This study was based on the Shanghai sub-cohort of the International Birth Cohort of China. A total of 4051 woman-infant pairs with singleton pregnancies were recruited.
GST-HG171 is a potent, broad-spectrum, orally bioavailable small-molecule 3C-like (3CL) protease inhibitor that was recently approved for treating mild to moderate coronavirus disease 2019 patients in China. Since cytochrome P450 (CYP) enzymes, primarily CYP3A, are the main metabolic enzymes of GST-HG171, hepatic impairment may affect its pharmacokinetic (PK) profile. Aiming to guide clinical dosing for patients with hepatic impairment, this study, using a non-randomized, open-label, single-dose design, assessed the impact of hepatic impairment on the PK, safety, and tolerability of GST-HG171.
View Article and Find Full Text PDFIntelligent shape memory polymer can be potentially used in manufacturing implantable devices that enables a benign variation of implant dimensions with the external stimuli, thus effectively lowering insertion forces and evading associated risks. However, in surgical implantation, biomaterials-associated infection has imposed a huge burden to healthcare system that urgently requires an efficacious replacement of antibiotic usages. Preventing the initial attachment and harvesting a biocidal function upon native surfaces may be deemed as a preferable strategy to tackle the issues of bacterial infection.
View Article and Find Full Text PDFDeveloping high-loading spin-polarized p-block-element-based single-atom catalysts (p-SACs) upon defect-free substrates for various chemical reactions wherein spin selection matters is generally considered a formidable challenge because of the difficulty of creating high densities of underpinning stable defects and the delocalized electronic features of p-block elements. Here our first-principles calculations establish that the defect-free rutile TiO(110) wide-bandgap semiconducting anchoring support can stabilize and localize the wavefunctions of p-block metal elements (Sb and Bi) strong ionic bonding, forming spin-polarized -SACs. Cooperated by the underlying d-block Ti atoms a delicate spin donation-back-donation mechanism, the p-block single-atom reactive center Sb(Bi) exhibits excellent catalysis for spin-triplet O activation and CO oxidation in alignment with Wigner's spin selection rule, with a low rate-limiting reaction barrier of ∼0.
View Article and Find Full Text PDFBackground: GST-HG171 is a potent, broad-spectrum, orally bioavailable small-molecule 3C like protease inhibitor that has demonstrated greater potency and efficacy compared to Nirmatrelvir in pre-clinical studies. We aimed to evaluate the efficacy and safety of orally administered GST-HG171 plus Ritonavir in patients with coronavirus disease 2019 (COVID-19) infected with emerging XBB and non-XBB variants.
Methods: This randomised, double-blind, placebo-controlled phase 2/3 trial was conducted in 47 sites in China among adult patients with mild-to-moderate COVID-19 with symptoms onset ≤72 h.
Identification of degradation products and pathways is crucial for investigating emerging pollutants and evaluation of wastewater treatment methods. Nontargeted analysis is a powerful tool to comprehensively investigate the degradation pathways of organic pollutants in real-world wastewater samples but often generates large data sets, making it difficult to effectively locate the exact information on interests. Herein, to efficiently establish the linkages among compounds in the same degradation pathways, we introduce a compound similarity network (CSN) as a novel data mining strategy for LC-MS-based nontargeted analysis of complex wastewater samples.
View Article and Find Full Text PDFExcessive or inappropriate applications of imazethapyr cause severe ecological deteriorations and health risks in human. A novel bacterial strain, i.e.
View Article and Find Full Text PDFAntimicrob Agents Chemother
January 2024
This study is aimed to evaluate the safety, tolerability, and pharmacokinetics (PK), as well as to select an appropriate dosing regimen for the pivotal clinical trial of GST-HG171, an orally bioavailable, potent, and selective 3CL protease inhibitor by a randomized, double-blind, and placebo-controlled phase I trial in healthy subjects. We conducted a Ph1 study involving 78 healthy subjects to assess the safety, tolerability, and PK of single ascending doses (150-900 mg) as well as multiple ascending doses (MADs) (150 and 300 mg) of GST-HG171. Additionally, we examined the food effect and drug-drug interaction of GST-HG171 in combination with ritonavir through a MAD regimen of GST-HG171/ritonavir (BID or TID) for 5 days.
View Article and Find Full Text PDFMicrobial species often occur in complex communities and exhibit intricate synergistic and antagonistic interactions. To avoid predation and compete for favorable niches, bacteria have evolved specialized protein secretion systems. The type VI secretion system (T6SS) is a versatile secretion system widely distributed among Gram-negative bacteria that translocates effectors into target cells or the extracellular milieu via various physiological processes.
View Article and Find Full Text PDFEnviron Sci Pollut Res Int
September 2023
In the context of China's economic and social transformation, smart cities are becoming increasingly important for green development. Based on pilot smart cities and panel data from 274 prefecture-level cities in China from 2006 to 2018, this paper mainly evaluates the impact of smart city construction (SCC) on green technology innovation (GTI). To analyze SCC mechanisms and heterogeneity, we used China's smart city pilots as a quasi-natural experiment.
View Article and Find Full Text PDFJ Phys Condens Matter
August 2023
To integrate two-dimensional (2D) materials into van der Waals heterostructures (vdWHs) is regarded as an effective strategy to achieve multifunctional devices. The vdWHs with strong intrinsic ferroelectricity is promising for applications in the design of new electronic devices. The polarization reversal transitions of 2D ferroelectric GaOlayers provide a new approach to explore the electronic structure and optical properties of modulated WS/GaOvdWHs.
View Article and Find Full Text PDFHerein, we describe a novel strategy that enables lateral flow readout for DNA strand displacement disassembling chemical labels (DCL). Comparing it to a classic fluorogenic assay, we demonstrate that our DCL-based lateral flow assay is highly sensitive and specific, capable of discriminating single nucleotide variants in buccal swab samples.
View Article and Find Full Text PDFThe integration of two-dimensional (2D) materials into van der Waals heterostructures (vdWHs) is regarded as an effective strategy for fabricating multifunctional devices. Herein, the effects of the vertical electric field and biaxial strain on the electronic, optical and transport properties of SeWS (SWSe)/h-BP vdWHs are systematically investigated using density functional theory calculations. The study shows that electric fields and biaxial strain can modulate not only the band gap but also the band alignment to produce multifunctional device applications.
View Article and Find Full Text PDFNanomaterials (Basel)
April 2023
Electrochemical N reduction reaction (NRR) is a promising approach for NH production under mild conditions. Herein, the catalytic performance of 3d transition metal (TM) atoms anchored on s-triazine-based g-CN (TM@g-CN) in NRR is systematically investigated by density functional theory (DFT) calculations. Among these TM@g-CN systems, the V@g-CN, Cr@g-CN, Mn@g-CN, Fe@g-CN, and Co@g-CN monolayers have lower ΔG(*NNH) values, especially the V@g-CN monolayer has the lowest limiting potential of -0.
View Article and Find Full Text PDFCompared with traditional assay techniques, field-effect transistors (FETs) have advantages such as fast response, high sensitivity, being label-free, and point-of-care detection, while lacking generality to detect a wide range of small molecules since most of them are electrically neutral with a weak doping effect. Here, we demonstrate a photo-enhanced chemo-transistor platform based on a synergistic photo-chemical gating effect in order to overcome the aforementioned limitation. Under light irradiation, accumulated photoelectrons generated from covalent organic frameworks offer a photo-gating modulation, amplifying the response to small molecule adsorption including methylglyoxal, -nitroaniline, nitrobenzene, aniline, and glyoxal when measuring the photocurrent.
View Article and Find Full Text PDFSolar-driven water purification has been deemed as a cheap, green and renewable technology to mitigate water shortage and pollution. Herein, a biomass aerogel with hydrophilic-hydrophobic Janus structure has been prepared as solar water evaporator, which is achieved by partially modifying hydrothermal-treated loofah sponge (HLS) with reduced graphene oxide (rGO). It's a rare design philosophy that HLS serves as a substrate with large pores and hydrophilic properties to ensure continuous and effective water transport, and the hydrophobic layer with rGO modification guarantees good salt resistance in seawater desalination with high photothermal conversion efficiency.
View Article and Find Full Text PDF