Improvement of DC Performance and RF Characteristics in GaN-Based HEMTs Using SiN Stress-Engineering Technique.

In this work, the DC performance and RF characteristics of GaN-based high-electron-mobility transistors (HEMTs) using the SiN stress-engineered technique were systematically investigated. It was observed that a significant reduction in the peak electric field and an increase in the effective barrier thickness in the devices with compressive SiN passivation contributed to the suppression of Fowler-Nordheim (FN) tunneling. As a result, the gate leakage decreased by more than an order of magnitude, and the breakdown voltage (BV) increased from 44 V to 84 V.

DiffPROTACs is a deep learning-based generator for proteolysis targeting chimeras.

PROteolysis TArgeting Chimeras (PROTACs) has recently emerged as a promising technology. However, the design of rational PROTACs, especially the linker component, remains challenging due to the absence of structure-activity relationships and experimental data. Leveraging the structural characteristics of PROTACs, fragment-based drug design (FBDD) provides a feasible approach for PROTAC research.

Clinical efficacy and pain control of diode laser-assisted flap surgery in the treatment of chronic periodontitis:A systematic review and meta-analysis.

Objective: To assess the diode laser-assisted periodontal flap surgery's clinical effectiveness and postoperative pain management in treating chronic periodontitis, and to offer evidence-based medical justification for the procedure's clinical use.

Data Sources And Study Selection: In this study, a computer combined with manual search was used to search for articles on diode laser-assisted periodontal flap surgery for the treatment of chronic periodontitis published from the establishment of the database to September 2023. The databases searched included China Academic Journal Full Text Database (CNKI), China Biomedical Literature Database (CBM), Chinese Science and Technology Journal Database (VIP), Wanfang Database, PubMed, Web of science, Cochrane Library, Embase, and Scopus.

Lithium Niobate MEMS Antisymmetric Lamb Wave Resonators with Support Structures.

The piezoelectric thin film composed of single-crystal lithium niobate (LiNbO) exhibits a remarkably high electromechanical coupling coefficient and minimal intrinsic losses, making it an optimal material for fabricating bulk acoustic wave resonators. However, contemporary first-order antisymmetric (A1) Lamb mode resonators based on LiNbO thin films face specific challenges, such as inadequate mechanical stability, limited power capacity, and the presence of multiple spurious modes, which restrict their applicability in a broader context. In this paper, we present an innovative design for A1 Lamb mode resonators that incorporates a support-pillar structure.

The relationship between leptin and periodontitis: a literature review.

Leptin is a peptide hormone that regulates energy balance, immune inflammatory response, and bone metabolism. Several studies have demonstrated a relationship between leptin and periodontitis, a local inflammatory disease that progressively weakens the supporting structures of the teeth, eventually leading to tooth loss. This article reviews the existing literature and discusses leptin's basic characteristics, its relationship with periodontitis, and its effects on periodontal tissue metabolism.

Efficacy of photodynamic therapy in the treatment of oral candidiasis: a systematic review and meta-analysis.

Objective: To evaluate the clinical efficacy of photodynamic therapy (PDT) as an adjunct or alternative to traditional antifungal drugs in the treatment of oral candidiasis, and to provide evidence-based medical evidence for its use in the treatment of oral candidiasis.

Methods: Computer combined with manual retrieval of China Academic Journals Full-text Database (CNKI), China Biomedical Literature Database (CBM), Chinese Science and Technology Journal Database (VIP), Wanfang Database, PubMed, Web of Science, Cochrane Library, Embase, Scopus retrieval for articles published before January 2023, basic information and required data were extracted according to the inclusion and exclusion criteria, and the Revman V5.4 software was used to conduct Meta-analysis of the included literature.

Macrocyclization of linear molecules by deep learning to facilitate macrocyclic drug candidates discovery.

Interest in macrocycles as potential therapeutic agents has increased rapidly. Macrocyclization of bioactive acyclic molecules provides a potential avenue to yield novel chemical scaffolds, which can contribute to the improvement of the biological activity and physicochemical properties of these molecules. In this study, we propose a computational macrocyclization method based on Transformer architecture (which we name Macformer).

Rapid Inactivation of mixed biofilms of and using antibacterial photodynamic therapy: Based on PAD™ Plus.

Background: To investigate the sterilizing effect of antimicrobial photodynamic therapy (aPDT) based on PAD™ Plus on mixed biofilms of and .

Methods: A mature mixed biofilm model of and was constructed FITC-concanavalin A staining was conducted to observe the formation of the extracellular matrix. MTT assay was performed to determine biofilm viability.

Topical Chinese herbal compound in the treatment of oral candidiasis: A systematic review and meta-analysis of randomized controlled trials.

Objective: A meta-analysis was performed to systematically review the clinical efficacy of external traditional Chinese medicine compounds in the treatment of oral candidiasis to provide a reference for the clinical treatment of this disease.

Methods: We systematically searched relevant Chinese and English databases, including the Chinese Biomedical Literature Database, China National Knowledge Infrastructure, Chinese Scientific Journal Database, Wanfang Database, PubMed, Web of Science, the Cochrane Library and Scopus, from inception to September 2022 to identify all clinical randomized controlled studies of oral candidiasis treated with external Chinese medicine compounds. The inclusion criteria were a randomized controlled study of an experimental group with the intervention of an external traditional Chinese medicine compound, and the results of the literature were clear.

Discovery, synthesis and mechanism study of 2,3,5-substituted [1,2,4]-thiadiazoles as covalent inhibitors targeting 3C-Like protease of SARS-CoV-2.

The 3C-like protease (3CL) is essential for the replication and transcription of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), making it a promising target for the treatment of corona virus disease 2019 (COVID-19). In this study, a series of 2,3,5-substituted [1,2,4]-thiadiazole analogs were discovered to be able to inhibit 3CL as non-peptidomimetic covalent binders at submicromolar levels, with IC values ranging from 0.118 to 0.

DeepPROTACs is a deep learning-based targeted degradation predictor for PROTACs.

The rational design of PROTACs is difficult due to their obscure structure-activity relationship. This study introduces a deep neural network model - DeepPROTACs to help design potent PROTACs molecules. It can predict the degradation capacity of a proposed PROTAC molecule based on structures of given target protein and E3 ligase.

Biodegradation characteristics and mechanism of quinoline by Ochrobactrum sp. strain C2.

A quinoline-degrading strain, C2, which could completely degrade 250 mg/L of quinoline within 24 h, was isolated from coking wastewater. Strain C2 was identified as Ochrobactrum sp. on the basis of 16S rDNA sequence analysis According to 16S rDNA gene sequence analysis, Strain C2 was identified as Ochrobactrum sp.

The nature of proton-coupled electron transfer in a blue light using flavin domain.

Proton-coupled electron transfer (PCET) is key to the activation of the blue light using flavin (BLUF) domain photoreceptors. Here, to elucidate the photocycle of the central FMN-Gln-Tyr motif in the BLUF domain of OaPAC, we eliminated the intrinsic interfering W90 in the mutant design. We integrated the stretched exponential function into the target analysis to account for the dynamic heterogeneity arising from the active-site solvation relaxation and the flexible H-bonding network as shown in the molecular dynamics simulation results, facilitating a simplified expression of the kinetics model.

Interactions of Urea-Based Inhibitors with Prostate-Specific Membrane Antigen for Boron Neutron Capture Therapy.

In this study, molecular interactions of prostate-specific membrane antigen (PSMA) with five chemically distinct urea-based boron-containing inhibitors have been investigated at the atomic level using molecular docking and molecular dynamics simulations. The PSMA-inhibitor complexations have been analyzed by comparing their binding modes, secondary structures, root-mean-square deviations, noncovalent interactions, principal components, and binding free energies. PSMA is a cell surface glycoprotein upregulated in cancerous cells and can be targeted by boron-labeled inhibitors for boron neutron capture therapy (BNCT).

Degradation of a Main Plastic Pollutant Polyethylene Terephthalate by Two Distinct Proteases (Neprilysin and Cutinase-like Enzyme).

In this DFT study, hydrolysis of polyethylene terephthalate (PET), a major cause of plastic pollution, by two distinct enzymes, neprilysin (, a mononuclear metalloprotease) and cutinase-like enzyme (, a serine protease), has been investigated. These enzymes utilize different mechanisms for the degradation of PET. uses either the metal-bound hydroxide attack (MH) mechanism or reverse protonation (RP) mechanism, while utilizes a general acid/base mechanism that includes acylation and deacylation processes.

Performance and relationship of four different agricultural drought indices for drought monitoring in China's mainland using remote sensing data.

Increasing frequency and intensity of extreme drought events have harmed the environment, ecosystem, and agricultural productivity. However, the characteristics of agricultural drought in China have not been well understood. The remote sensing (RS) based gridded monthly precipitation, soil moisture, land surface temperature (LST), and normalized difference vegetation index (NDVI) datasets over 1982-2018 were utilized to derive standardized precipitation index (SPI), standardized soil moisture index (SSI), multivariate standardized drought index (MSDI), and vegetation health index (VHI).

Effects of the Metal Ion on the Mechanism of Phosphodiester Hydrolysis Catalyzed by Metal-Cyclen Complexes.

In this study, mechanisms of phosphodiester hydrolysis catalyzed by six di- and tetravalent metal-cyclen () complexes ( and ) have been investigated using DFT calculations. The activities of these complexes were studied using three distinct mechanisms: (1) direct attack ( ), (2) catalyst-assisted ( ), and (3) water-assisted ( ). All divalent metal complexes ( and ) coordinated to the BNPP substrate in a monodentate fashion and activated its scissile phosphoester bond.

Investigating coordination flexibility of glycerophosphodiesterase (GpdQ) through interactions with mono-, di-, and triphosphoester (NPP, BNPP, GPE, and paraoxon) substrates.

In this study, interactions of the catalytically active binuclear form of glycerophosphodiesterase (GpdQ) with four chemically diverse substrates, i.e. NPP (a phosphomonoester), BNPP and GPE (both phosphodiesters), and paraoxon (a phosphotriester) have been investigated using all-atom molecular dynamics (MD) simulations.

Hydrolysis of chemically distinct sites of human serum albumin by polyoxometalate: A hybrid QM/MM (ONIOM) study.

In this study, mechanisms of hydrolysis of all four chemically diverse cleavage sites of human serum albumin (HSA) by [Zr(OH)(PW O )] (ZrK) have been investigated using the hybrid two-layer QM/MM (ONIOM) method. These reactions have been proposed to occur through the following two mechanisms: internal attack (IA) and water assisted (WA). In both mechanisms, the cleavage of the peptide bond in the Cys392-Glu393 site of HSA is predicted to occur in the rate-limiting step of the mechanism.

Aggregate-Induced Self-Assembly and Ultrafast Dynamics of Light-Harvesting D-A-A Polymorphs.

Organic dipolar molecules are an emerging class of light harvesters useful in electronic applications and have captured new urgency with the design and synthesis of new molecular structures for device testing. However, research has not evolved beyond the cyclical thin film preparation-device testing-chemical structural modification approach. Without an understanding of polymorphism, molecular photophysics at the interface or metastable morphologies that regulate charge carrier dynamics, it is not obvious a priori if a new molecular structure will produce a suitable thin film morphology for superior device performance without developing structure-function relationships that consider morphology and photophysics.

Photoinduced charge recombination in dipolar D-A-A photonic liquid crystal polymorphs.

A hexylalkoxy dipolar D-A-A molecule [7-(4-N,N-(bis(4-hexyloxyphenyl)amino)phenyl)-2,1,3-(benzothia-diazol-4-yl)methylene]propane-dinitrile, (C6-TPA-BT-CN) has been synthesized and the photophysics studied via femtosecond transient absorption spectroscopy (FsTA) in toluene and in amorphous and liquid crystalline spherulite thin films. Two spherulite macromolecular crystalline phases (banded, and non-banded) were observed through concentration dependent, solution processing techniques and are birefringent with a negative sign of elongation. A dramatic change in the electronic absorption from blue in amorphous films to green in spherulites was observed, and the molecular orientation was determined through the combined analysis of polarized light microscopy, X-ray diffraction, and scanning electron microscopy.