Modulation of Molecular Quadrupole Moments by Phenyl Side-Chain Fluorination for High-Voltage and High-Performance Organic Solar Cells.

The ground-state charge generation (GSCG) in photoactive layers determines whether the photogenerated carriers occupy the deep trap energy levels, which, in turn, affects the device performance of organic solar cells (OSCs). In this work, charge-quadrupole electrostatic interactions are modulated to achieve GSCG through a molecular strategy of introducing different numbers of F atom substitutions on the BTA3 side chain. The results show that 8F substitution (BTA3-8F) and 16F substitution (BTA3-16F) lead to different patterns of highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy level changes.

Insights into the regulation mechanisms of dual hydrothermal treatment on the structure and digestive characteristics of A- and B-type wheat starch granules.

Hydrothermal treatment is a physical modification technology to alter starch structures for the production of resistant starch (RS). However, the underlying regulation mechanism of the multiscale structure and digestive properties of starch by dual hydrothermal synergistic treatment remains unclear. To solve this problem, A- and B-type wheat starch granules (AWS and BWS) were separated and subjected to toughening and heat-moisture synergistic treatment (THT) with various moisture content (10 %, 15 %, 20 %, 25 %).

A Simple and Rapid "Turn-On" Fluorescent Probe Based on Binuclear Schiff Base for Zn and Its Application in Cell Imaging and Test Strips.

A series of colorful binuclear Schiff bases derived from the different diamine bridges including 1,2- ethylenediamine (bis-Et-SA, bis-Et-4-NEt, bis-Et-5-NO, bis-Et-Naph), 1,2-phenylenediamine (bis-Ph-SA, bis-Ph-4-NEt, bis-Ph-5-NO, bis-Ph-Naph), dicyano-1,2-ethenediamine (bis-CN-SA, bis-CN-4-NEt, bis-CN-5-NO, bis-CN-Naph) have been designed and prepared. The optical properties of these binuclear Schiff base ligands were fully determined by UV-Vis absorption spectroscopy, fluorescence emission spectroscopy, and time-dependent-density functional theory (TD-DFT) calculations. The inclusion of D-A systems and/or π-extended systems in these binuclear Schiff base ligands not only enables adjustable RGB light absorption and emission spectra (300~700 nm) but also yields high fluorescence quantum efficiencies of up to 0.

A perspective on field-effect in energy and environmental catalysis.

The development of catalytic technologies for sustainable energy conversion is a critical step toward addressing fossil fuel depletion and associated environmental challenges. High-efficiency catalysts are fundamental to advancing these technologies. Recently, field-effect facilitated catalytic processes have emerged as a promising approach in energy and environmental applications, including water splitting, CO reduction, nitrogen reduction, organic electrosynthesis, and biomass recycling.

Spin and valley dependent transport and tunneling magnetoresistance in irradiated ferromagnetic WSedouble barrier junctions.

Spin and valley polarizations (P and P) and tunneling magnetoresistance (TMR) are demonstrated in the ferromagnetic/barrier/normal/barrier/ferromagnetic WSe junction, with the gate voltage and off-resonant circularly polarized light (CPL) applied to the two barrier regions. The minimum incident energy of non-zero spin- and valley-resolved conductance has been derived, which is consistent with numerical calculations and depends on the electric potential U, CPL intensity ΔΩ, exchange field h, and magnetization configuration: parallel (P) or antiparallel (AP). For the P (AP) configuration, the energy region with P = -1 or P = 1 is wider (narrower) and increases with ΔΩ.

Computational design of CDK1 inhibitors with enhanced target affinity and drug-likeness using deep-learning framework.

Cyclin Dependent Kinase 1 (CDK1) plays a crucial role in cell cycle regulation, and dysregulation of its activity has been implicated in various cancers. Although several CDK1 inhibitors are currently in clinical trials, none have yet been approved for therapeutic use. This research utilized deep learning techniques, specifically Recurrent Neural Networks with Long Short-Term Memory (LSTM), to generate potential CDK1 inhibitors.

A label-free electrochemical biosensor for sensitive analysis of the PARP-1 activity.

Early diagnosis of tumors is becoming increasingly important in modern healthcare. As studies have demonstrated, Poly(ADP)ribose polymerase-1 (PARP-1) is overexpressed in more aggressive tumors. Consequently, sensitive detection of PARP-1 activity holds significant practical importance in clinical diagnostics and biomedical research.

Comparison of Plant Genomic DNA Extraction Kits Using the Proofman-LMTIA Amplification Assay.

Introduction: The extraction of DNA is the basis of molecular biology research. The quality of the extracted DNA is one of the key factors for the success of molecular biology experiments.

Objective: To select a suitable DNA extraction method for Chinese medicinal herbs and seeds.

Forecasting for electricity demand utilizing enhanced inception-V4 using improved Osprey optimization.

This research examines the impact of temperature, relative humidity, and wind speed on the electricity demand. It presents a unique method that combines an Enhanced Inception-V4 model with an Improved Osprey Optimizer to analyze weather-related factors. The combined model, which has been validated from 2003 to 2023, surpasses traditional forecasting techniques and significantly improves prediction accuracy.

Local anaesthesia with conscious sedation in parotid gland tumour resection: a retrospective review.

Objectives: This study explored the suitability of local anaesthesia with conscious sedation for parotid gland tumour surgery.

Methods: Three hundred sixty-four medical records were reviewed to gather data on several key aspects for retrospective analysis. These included age, incision length, operation time, tumour size, NNIS score, ASA score, and pathology.

Analysis of the influencing mechanism of low-frequency alternating magnetic field-assisted freezing on oxidative and structural attributes of pork myofibrillar proteins based on proteomic changes.

Using quantitative proteomics, the study investigated the effects of low-frequency alternating magnetic field-assisted freezing (LF-MFF) on the oxidative status and structural integrity of porcine myofibrillar proteins (MPs). LF-MFF, especially at 3 mT (LF-MFF-3) and 4 mT (LF-MFF-4), significantly reduced MPs' oxidation compared to refrigerator freezing (RF) (P < 0.05).

Wheat Embryo Albumin and Its Peptide Alleviate Acute Exercise Fatigue as Energy Supplement.

Wheat embryo albumin (WEA), rich in amino acids with a good balanced proportion, demonstrates plentiful biological activities. The effects of WEA and its peptide with the best antioxidant ability (F3) as a post-workout and pre-workout energy supplement on alleviating acute exercise fatigue were investigated. Under two experimental cases, the exhaustion-to-death swimming time and exhaustion swimming time were determined.

Combination of Deep and Statistical Features of the Tissue of Pathology Images to Classify and Diagnose the Degree of Malignancy of Prostate Cancer.

Prostate cancer is one of the most prevalent male-specific diseases, where early and accurate diagnosis is essential for effective treatment and preventing disease progression. Assessing disease severity involves analyzing histological tissue samples, which are graded from 1 (healthy) to 5 (severely malignant) based on pathological features. However, traditional manual grading is labor-intensive and prone to variability.

Upward social comparison on social networking sites (SNSs) and individual well-being: a moderated mediation model.

To explore the influence of upward social comparison on social networking sites on individual well-being, as well as the role of envy and nature connectedness, a questionnaire survey was conducted among 1078 college students. The results indicated: (1) upward social comparison on social networking sites had a significant negative effect on well-being; (2) envy played a mediating role in the relationship between upward social comparison on social networking sites and well-being; and (3) nature connectedness moderated the direct effect of upward social comparison on social networking sites on well-being and the mediating effect of envy. The present study revealed the relationship between upward social comparison on SNSs and well-being and its internal mechanism, providing concrete ways to intervene individual well-being in the Internet era.

Biocontrol of Salmonella Schwarzengrund and Escherichia coli O157:H7 planktonic and biofilm cells via combined treatment of polyvalent phage and sodium hexametaphosphate on foods and food contact surfaces.

Salmonella Schwarzengrund and Escherichia coli O157:H7 are ones of foodborne pathogens that can produce biofilms and cause serious food poisoning. Bacteriophages are an emerging antibacterial strategy used to prevent foodborne pathogen contamination in the food industry. In this study, the combined antibacterial effects of the polyvalent phage PS5 and sodium hexametaphosphate (SHMP) against both pathogens were investigated to evaluate their effectiveness in food applications.

Mechanism of multiscale structural reassembly controlled by molecular chains during amylase digestion of wheat starch.

The digestive characteristics of wheat starch (WS) are closely related to its structure. However, the mechanisms underlying the multiscale structural evolution and reassembly controlled by molecular chains during digestion are poorly understood. To address this issue, amylopectin of wheat starch (APWS) and amylose of wheat starch (AMWS) were separated and digested in vitro.

Ultrasonic-assisted extraction of nanocellulose from sweet potato residue and its application in noodles.

Enhancing the amount of dietary fiber without compromising the quality of noodles remains a challenge in the food industry. This study aimed to optimize the ultrasound-assisted extraction parameters to enhance the yield of nanocellulose from sweet potato residue (SPR) using a response surface methodology. The impact of SPR nanocellulose on noodles' physicochemical properties was also explored.

Musculoskeletal Disorders in COVID-19 Surveillance Staff Members: An Analysis of Prevalence, Risk Factors, and Coping Strategies.

During the coronavirus disease 2019 (COVID-19) pandemic, the COVID-19 surveillance staff members experienced an increased risk for musculoskeletal disorders. Thus, it is necessary to further investigate the causal factors stemming from COVID-19 surveillance work, especially nucleic acid testing, and establish their relationship with work-related musculoskeletal disorders (WMSDs) by building upon the previous research. This study aimed to determine the prevalence of WMSDs and the major risks faced by the COVID-19 surveillance staff members.

Enhancing the quality attributes of porcine myofibrillar proteins through low-frequency alternating magnetic field-assisted freezing.

This study explores the potential of low-frequency alternating magnetic field-assisted freezing (LF-MFF) on enhancing the physicochemical stability and gelling performance of porcine myofibrillar proteins (MPs). We observed that LF-MFF markedly reduced oxidative denaturation of MPs compared to refrigerator freezing (RF), thus maintaining higher gel quality. Notably, LF-MFF treatment at 3-4 mT enhanced MPs' solubility, decreased turbidity, and lowered dityrosine content.

A green deep eutectic solvent-based aqueous two-phase system combined with chemometrics for flavonoids extracting and detecting in honey.

In this study, an eco-friendly and designable aqueous two-phase system (ATPS) was developed using natural deep eutectic solvents (DES) and short-chain alcohols. The formation mechanism and influence of various factors on phase behavior were investigated. Optimal extraction parameters were determined through single-factor experiments and response surface methodology (RSM): 45 °C temperature, 45 % -propanol, 40 % DES, and 0.

DFT study on the mechanism of phosphine-catalyzed ring-opening reaction of cyclopropyl ketones.

In the present study, the mechanism, origin of chemoselectivity, and substituent effects of the phosphine-catalyzed ring-opening reaction of cyclopropyl ketone have been investigated using the DFT method. Multiple pathways, including the formation of hydrofluorenone, the Cloke-Wilson product, and cyclopenta-fused product, were studied and compared. The computational results show that the pathway for the formation of hydrofluorenone is the most favorable one, which involves four processes: nucleophilic substitution to open the three-membered ring, an intramolecular Michael addition for the formation of an enolate intermediate, an intramolecular [1,5]-proton transfer to give ylide, and an intramolecular Wittig reaction to deliver the final product.

A simple AIE-based indole-benzimidazole probe for the ratiometric fluorescent detection of phosgene in an almost neat aqueous solution.

Phosgene is a suffocating toxic gas that seriously threatens human health and public security. With this research, we developed a simple ratiometric fluorescent probe (1) bearing indole and benzimidazole moieties as the sensing sites and employed it for the aggregation-induced emission-based (AIE-based) detection of phosgene. It was the first time that the probe could detect phosgene in an almost pure aqueous solution (f = 99.

LiF-induced in-situ engineering of a dense inorganic SEI for superior lithium storage in black phosphorus anode.

Black phosphorus (BP) has been highly regarded as a favourable candidate for fast-charging anode applications owing to its high theoretical capacity and advantageous charge-discharge platform. However, BP faces challenges related to compromised electrochemical performance resulting from an unstable solid-electrolyte interface (SEI) and substantial volumetric expansion. This study proposes the engineering of an inorganic-dense SEI on the surface of BP-C through the strategic incorporation of lithium fluoride (LiF).