Adaptive Multi-Kernel Graph Neural Network for Drug-Drug Interaction Prediction.

 Combination therapy, which synergistically enhances treatment efficacy and inhibits disease progression through the combined effects of multiple drugs, has emerged as a mainstream approach for treating complex diseases and alleviating symptoms. However, drug-drug interactions (DDIs) can sometimes lead to adverse reactions, potentially endangering lives. Therefore, developing efficient and accurate DDI prediction methods is crucial for elucidating drug mechanisms and preventing side effects.

Microbial community structure and functional characteristics in a membrane bioreactor used for real rural wastewater treatment.

Membrane bioreactors (MBRs) have been widely used in the field of wastewater treatment because of their small footprint and high treatment efficiency. In this research, 10 rural wastewater treatment sites in China that employ the MBR process were systematically studied. Specifically, treatment of actual domestic wastewater using MBRs was examined by high-throughput 16S rRNA gene sequencing to explore the microbial community composition and perform function prediction.

Effectiveness of a multicentre randomized controlled trial with three different nurse-led intervention management programmes for patients with heart failure: the main results of the MEETinCY study.

Aims: A single-blinded, multicentred randomized controlled trial (RCT) was employed to examine the effectiveness of a 3-month telephone follow-up, a telephone follow-up with education before discharge, or education only before discharge on the heart failure (HF) knowledge, HF self-care management, and health-related quality of life (HR-QoL) in patients with HF by a nurse specialist.

Methods And Results: This is a multicentre RCT with three different intervention groups (IGs) and one control group. Participants in the first IG received education on HF self-management principles before discharge.

Chinese herbal medicine-inspired construction of multi-component hydrogels with antibacterial and wound-healing-promoting functions.

Chinese herbal medicine (CHM) has offered a great treasure and source of inspiration for developing innovative medicinal materials and therapy. In this work, inspired by the macroscopic compatibility of and in CHM, the puerarin (PUE) and CaSO (Ca) as the main constituents, respectively, from the two herbs are co-assembled into two-component molecular hydrogels. Such two-component gels exhibited enhanced mechanical properties compared with the single-component PUE gel due to the introduction of crosslinking hydrogen bonds between PUE and Ca.

The optimised model of predicting protein-metal ion ligand binding residues.

Metal ions are significant ligands that bind to proteins and play crucial roles in cell metabolism, material transport, and signal transduction. Predicting the protein-metal ion ligand binding residues (PMILBRs) accurately is a challenging task in theoretical calculations. In this study, the authors employed fused amino acids and their derived information as feature parameters to predict PMILBRs using three classical machine learning algorithms, yielding favourable prediction results.

Topological Supramolecular Complexation of Metal-Organic Polyhedra for Tunable Interconnected Hierarchical Microporosity in Amorphous Form.

The precise engineering of microporosity is challenging due to the interference at sub-nm scale from unexpected structural flexibility and molecular packing. Herein, the concept of topological supramolecular complexation is proposed for the feasible fabrication of hierarchical microporosity with broad tunability in amorphous form. The 2.

Measurement of multidifferential cross sections for dijet production in proton-proton collisions at .

A measurement of the dijet production cross section is reported based on proton-proton collision data collected in 2016 at by the CMS experiment at the CERN LHC, corresponding to an integrated luminosity of up to 36.3 . Jets are reconstructed with the anti- algorithm for distance parameters of and 0.

Development of Triphenylamine Derived Photosensitizers for Efficient Hydrogen Evolution from Water.

A series of new (donor)₂-donor-π-acceptor (D2-D-π-A) and (acceptor)₂-donor-π-acceptor (A2-D-π-A) organic photosensitizers based on the framework of (Z)-2-cyano-3-(5-(4-(diphenylamino)phenyl)thiophen-2-yl)acrylic acid have been synthesized and characterized. By incorporating groups with different electron-donating or withdrawing abilities, such as dibenzothiophene (DBT), dibenzofuran (DBF), and triazine (TA), into the triphenylamine segment, their photophysical properties have been regulated.  Theoretical calculations were used to explore how various donor-acceptor combinations influence their hydrogen production performance.

Underwater Superoleophobic and Transparent Films with Mechanical Robustness and High Durability in Harsh Environments.

Underwater superoleophobic and transparent (UST) films are promising in applications, such as advanced optical devices in marine environments. However, the mechanical robustness and durability in harsh environments of the existing UST films are still unsatisfactory. In this work, we present a free-standing nacre-inspired mineralized UST (NIM-UST) film with high aragonite content and excellent mechanical properties toward robust underwater superoleophobicity on two surfaces and transparency (94%) in harsh seawater environments.

Investigation of the cushioning mechanism of a novel dental implant system with composite hydrogel.

Background/purpose: Dental implants can restore both function and aesthetics in edentulous areas. However, the absence of cushioning mechanical behavior in implants may limit their clinical performance and reduce the long-term survival rates. This study aimed to establish an implant cushion mechanism that mimicked the natural periodontal ligament, utilizing the properties of composite hydrogels.

A robust reduction in near-surface wind speed after volcanic eruptions: Implications for wind energy generation.

Near-surface wind speed (NSWS), a determinant of wind energy, is influenced by both natural and anthropogenic factors. However, the specific impacts of volcanic eruptions on NSWS, remain unexplored. Our simulations spanning the last millennium reveal a consistent 2-year global NSWS reduction following 10 major historical eruptions.

Therapeutic exploration potential of adenosine receptor antagonists through pharmacophore ligand-based modelling and pharmacokinetics studies against Parkinson disease.

Unlabelled: Parkinson's Disease (PD) is a neurodegenerative disorder that primarily affects persons aged 65 and older. It leads to a decline in motor function as a result of the buildup of abnormal protein deposits called Lewy bodies in the brain. Existing therapies exhibit restricted effectiveness and undesirable side effects.

Investigation of compounds as ERK5 inhibitor related to breast cancer via molecular docking and dynamic simulation.

Unlabelled: Breast cancer remains a global health challenge, with rising cases predicted in the coming decades. The complexity of breast cancer treatment arises from its complex nature, often involving multiple therapeutic strategies. One promising approach is targeting the ERK5 pathway, a key regulator in cancer cell proliferation and survival.

Biochemical mechanisms and molecular interactions of vitamins in cancer therapy.

Recently, the potential role of vitamins in cancer therapy has attracted considerable research attention. However, the reported findings are inconsistent, with limited information on the biochemical and molecular interactions of different vitamins in various cancer cells. Importantly, the presence of vitamin receptors in tumor cells suggests that vitamins play a significant role in the molecular and biochemical interactions in cancers.

The efficacy of resveratrol supplementation on inflammation and oxidative stress in type-2 diabetes mellitus patients: randomized double-blind placebo meta-analysis.

Background: The effects of resveratrol supplementation on inflammation and oxidative stress in patients with type 2 diabetes mellitus (T2DM) were controversial. A meta-analysis was performed to assess the changes in levels of inflammation and oxidative stress in patients with T2DM.

Methods: Relevant literatures before November 6, 2024 were screened through Web of Science,Embase,the Cochrane Library and other sources (ClinicalTrials, ProQuest Dissertations and Theses).

Effect of ultrasound combined with microbubbles therapy on tumor hypoxic microenvironment.

Introduction: Tumor tissues exhibit significantly lower oxygen partial pressure compared to normal tissues, leading to hypoxia in the tumor microenvironment and result in resistance to tumor treatments. Strategies to mitigate hypoxia include enhancing blood perfusion and oxygen supply, for example,by decomposing hydrogen peroxide within the tumor. Improving hypoxia in the tumor microenvironment could potentially improve the efficacy of cancer treatments.

Ultraviolet-C-based sanitization is a cost-effective option for hospitals to manage health care-associated infection risks from high touch mobile phones.

Mobile phones have become essential tools for health care workers around the world, but as high touch surfaces, they can harbor microorganisms that pose infection risks to patients and staff. As their use in hospitals increases, hospital managers must introduce measures to sanitize mobile phones and reduce risks of health care-associated infections. But such measures can involve substantial costs.

Cellulose nanocrystal composite films for contactless moisture-electric conversion.

The ability to convert moisture signals into electrical signals through contactless control underpins a wide range of applications, including health monitoring, disaster warning, and energy harvesting. Despite its potential, the effective utilization of low-grade energy remains challenging, as it often requires complex device architectures that limit scalability and integration, particularly in wearable technologies. Here, we present a soft, flexible moisture-electric converter made from cellulose nanocrystals and polyvinyl alcohol composite films, designed for a novel touchless interactive platform.

Ethanol-induced ammonium polyphosphate-silver gel paint: breaking the trade-off between conductivity, flame retardancy and adhesion in single-layer functional coatings.

Electrical fires pose significant threats to the lives and property safety of people. Although utilizing coatings to impart conductivity and flame retardancy to materials is convenient and reliable, traditional layer-by-layer preparation methods have the limitations of cost, convenience and scalability. Therefore, a single-layer coating that simultaneously imparts excellent conductivity and flame retardancy to materials presents broader application prospects.

Dual-driven biodegradable nanomotors for enhanced cellular uptake.

Hybrid nano-sized motors with navigation and self-actuation capabilities have emerged as promising nanocarriers for a wide range of delivery, sensing, and diagnostic applications due to their unique ability to achieve controllable locomotion within a complex biological environment such as tissue. However, most current nanomotors typically operate using a single driving mode, whereas propulsion induced by both external and local stimuli could be more beneficial to achieve efficient motility in a biomedical setting. In this work, we present a hybrid nanomotor by functionalizing biodegradable stomatocytes with platinum nanoparticles (Pt NPs).

Dual-Induced Directed Deposition Mechanism Based on Anionic Surfactants Enables Long Cycle Aqueous Zinc Ion Batteries.

Aqueous zinc-ion battery has low cost, and environmental friendliness, emerging as a promising candidate for next-generation battery systems. However, it still suffers from a limited cycling life, caused by dendritic Zn growth and severe side reactions. Recent research highlights that the Zn (002) crystal plane exhibits superior anti-corrosive properties and a horizontal growth pattern.

Self-Regulatory Lean-Electrolyte Flow for Building 600 Wh Kg-Level Rechargeable Lithium Batteries.

Reducing excess electrolytes offers a promising approach to improve the specific energy of electrochemical energy storage devices. However, using lean electrolytes presents a significant challenge for porous electrode materials due to heterogeneous wetting. The spontaneous wetting of nano- or meso-pores within particles, though seldom discussed, adversely affects wetting under lean electrolyte conditions.

Enhancing Zn Deposition Reversibility on MXene Current Collectors by Forming ZnF-Containing Solid-Electrolyte Interphase for Anode-Free Zinc Metal Batteries.

Anode-free aqueous zinc metal batteries (AZMBs) offer significant potential for energy storage due to their low cost and environmental benefits. TiCT MXene provides several advantages over traditional metallic current collectors like Cu and Ti, including better Zn plating affinity, lightweight, and flexibility. However, self-freestanding MXene current collectors in AZMBs remain underexplored, likely due to challenges with Zn deposition reversibility.

A Systematic Review of Synthetic and Anticancer and Antimicrobial Activity of Quinazoline/Quinazolin-4-one Analogues.

Quinazolines/quinazolin-4-ones are significant nitrogen-containing heterocycles that exist in various natural products and synthetic scaffolds with diverse medicinal and pharmacological applications. Researchers across the globe have explored numerous synthetic strategies to develop safer and more potent quinazoline/quinazolinone analogues, particularly for combating cancer and microbial infections. This review systematically examines scholarly efforts toward understanding this scaffold's synthetic pathways and medicinal relevance, emphasizing the role of metal and non-metal catalysts and other reagents in their synthesis.