GDFold2: A fast and parallelizable protein folding environment with freely defined objective functions.

An important step of mainstream protein structure prediction is to model the 3D protein structure based on the predicted 2D inter-residue geometric information. This folding step has been integrated into a unified neural network to allow end-to-end training in state-of-the-art methods like AlphaFold2, but is separately implemented using the Rosetta folding environment in some traditional methods like trRosetta. Despite the inferiority in prediction accuracy, the conventional approach allows for the sampling of various protein conformations compatible with the predicted geometric constraints, partially capturing the dynamic information.

Solvent-Free Artificial Light-Harvesting System in a Fluid Donor with Highly Efficient Förster Resonance Energy Transfer.

Multi-step Förster resonance energy transfer (FRET) plays a vital role in photosynthesis. While the energy transfer efficiency (Φ) of a naturally occurring system can reach 95%, that of most artificial light-harvesting systems (ALHSs) is still limited. Herein, we propose a strategy to construct highly efficient ALHSs using a blue-emitting, supercooled ionic compound of naphthalimide (NPI) as the donor, a green-emitting BODIPY derivate as a relay acceptor, and a commercially available, red-emitting dye [rhodamine B (RhB)] as the final acceptor.

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.

Sabatier Principle Inspired Bifunctional Alloy Interface for Stable and High-Depth Discharging Zinc Metal Anodes.

Achieving stable Zn anodes is essential for advancing high-performance Zn metal batteries. Here, we propose a Sabatier principle inspired bifunctional transition-metal (TM) interface to enable homogeneous Zn dissolution during discharging and dendrite-free Zn deposition during charging. Among various TM-coated Zn (TM@Zn) electrodes, Cu@Zn exhibits the highest reversibility and structural stability, attributed to the optimal interaction between Cu and Zn.

Dengue Virus Replicative-Form dsRNA Is Recognized by Both RIG-I and MDA5 to Activate Innate Immunity.

RIG-I like receptors (RLRs) are a family of cytosolic RNA sensors that sense RNA virus infection to activate innate immune response. It is generally believed that different RNA viruses are recognized by either RIG-I or MDA5, two important RLR members, depending on the nature of pathogen-associated molecular patterns (PAMPs) that are generated by RNA virus replication. Dengue virus (DENV) is an important RNA virus causing serious human diseases.

A Rare Case of Anomalous Pulmonary Venous Return.

This manuscript presents a rare case of a complex pulmonary venous malposition with an intact atrial septum and ventricular septum. The study demonstrates the diagnostic utility of echocardiography and computed tomography in the evaluation of complex congenital heart disease.

Nanoclay-Mediated Crystal-Phase Engineering in Biofunctions to Balance Antibacteriality and Cytotoxicity.

The crystalline phase of metal oxides is a key determinant of the properties and functions of the nanomaterials. Traditional approaches have focused on replicating bulk-phase structures, with limited exploration of phase diversity due to challenges in controlling the crystal morphology. Here, we introduce a nanoclay-mediated strategy for crystal-phase engineering, using talc to modulate the morphology and phase of manganese oxide (MnOx) nanoparticles.

The Impact of Intelligent Delivery Systems and Automated Rail Logistics on the Efficiency and Safety of Clinical Item Transportation: A Observational Studies.

This paper aims to establish an intelligent delivery system integrated with track logistics and explores its impact on the clinical transportation of goods. The study analyzed hospital delivery items before and after the implementation of an intelligent delivery system combined with automated track logistics in 2023. Delivery conditions prior to the system's activation served as the control group, while those post-implementation formed the observation group.

Cardiac dilation, energy stress and ventricular remodeling: insights from prolonged voluntary exercise in male mice with TAC-induced HFpEF.

Exercise in heart failure with preserved ejection fraction (HFpEF) remains a hot topic, although current treatment strategies have not been shown to improve the long-term prognosis of HFpEF. Previous studies have mostly focused on the roles of endurance training, the mechanisms underlying long-term voluntary exercise have not been elucidated. The purpose of the present analysis was to evaluate alterations in cardiac function in HFpEF mice (HFpEF-Sed) after 6 weeks of voluntary running (HFpEF-Ex), investigate mechanisms, and compare the effects with fluoxetine (HFpEF-FLX).

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.

A Non-invasive Lung Disease Study of Exhaled Breath Nitric Oxide Based on Ultraviolet Differential Absorption Spectroscopy Techniques.

In this study, a non-invasive device based on ultraviolet differential absorption spectroscopy (UV-DOAS) technology for detecting fractional exhaled nitric oxide (FeNO)was developed and clinically validated in patients with various lung diseases. The diagnostic potential of FeNO was explored by analysing subgroups of patients with lung cancer, nodules, and other disease. The results showed that FeNO concentrations were significantly higher in patients with malignant tumours than in healthy controls (p < 0.

C9orf72 Alleviates DSS‑Induced Ulcerative Colitis via the cGAS-STING Pathway.

Purpose: C9orf72 deficiency contributes to severe inflammation in mice. Ulcerative colitis (UC) is a chronic inflammatory disorder with the shortage of clinical success. However, whether C9orf72 is involved in the progression of UC is not fully understood.

A hypoxia-targeting and hypoxia-responsive nano-probe for tumor detection and early diagnosis.

Accurate imaging of tumor hypoxia is critical for early cancer diagnosis and clinical outcomes, highlighting the great need for its detection specificity and sensitivity. In this report, we propose a probe (HTRNP) that simultaneously has hypoxia-targeting and hypoxia-responsive capabilities to enhance the tumor hypoxia imaging efficiency. HTRNP was successfully prepared through the encapsulation of Pt(II)-tetrakis(pentafluorophenyl)porphyrin (PtPFPP), which exhibits hypoxia-dependent phosphorescence, within the amphiphilic block copolymer OPDMA-PF, which has hypoxia-targeting tertiary amine -oxide moieties and hydrophobic perfluorobenzene ring structures, which highly improved the loading content and water solubility of PtPFPP.

Halting Pancreatic Ductal Adenocarcinoma Progression and Metastasis by Neuron-Inhibitory Liposomes.

Pancreatic ductal adenocarcinoma (PDAC) remains an aggressive malignancy. The occurrence of perineural invasion is associated with neuropathic pain and poor prognosis of PDAC, underscoring the active participation of nerves and their potential as therapeutic targets. Lidocaine is a local anesthetic with antitumor properties in some tumors in the clinic.

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.

Mapping of Amyloid-β Aggregates In Vivo by a Fluorescent Probe with Dual Recognition Moieties.

The spontaneous aggregation of amyloid-β (Aβ) leads to neuronal cell death in the brain and causes the development of Alzheimer's disease (AD). The efficient detection of the aggregation state of Aβ holds significant promise for the early diagnosis and subsequent treatment of this neurodegenerative disorder. Currently, most of the fluorescent probes used for the detection of Aβ fibrils share similar recognition moieties, such as the ,-dimethylamino group, ,-diethylamino group, and piperidyl group.

Transumbilical robotic single-port (RSP) sacrohysteropexy: A case report and literature review.

In this study, we report a 42-year-old woman who was preoperatively diagnosed with uterine prolapse degree III. After full communication and signing the informed consent, the patient received transumbilical single-port laparoscopic sacrohysteropexy with the assistance of a robot under general anesthesia on January 11, 2024. Our hospital successfully performed the single-port robot-assisted transumbilical laparoscopic sacrohysteropexy in China, which confirms the safety and effectiveness of Jingfeng single port surgical robot system SP1000 in clinical application.

Home visiting for postpartum depression.

This is a protocol for a Cochrane Review (intervention). The objectives are as follows: To assess the benefits of home visiting models for postpartum depression amongst mothers of young children, where either the mothers or the children are enrolled in early childhood home visiting programs or interventions. To identify core components essential for a home visiting program to effectively address postpartum depression in mothers of young children.

Neonatal Sevoflurane Exposure Exerts Sex-Specific Effects on Cognitive Function via C3- and TLR4-Related M1/M2 Microglial Cell Polarisation in Rats.

In this study, we aimed to explore the sex-specific effects and mechanisms of sevoflurane exposure on the neural development of pubertal rats on the basis of M1/M2 microglial cell polarisation and related signalling pathways. A total of 48 rat pups (24 males and 24 females) were assigned to the 0- or 2-h sevoflurane exposure group on the seventh day after birth. The Morris water maze (MWM) test was subsequently conducted on the 32nd to 38th days after birth.

Copper-Mediated Three-Component Synthesis of Diverse Perfluoroalkylated Fullerenes.

The synthesis of perfluoroalkylated fullerenes (PFAFs) holds significant importance due to their enhanced molecular stability, increased lipophilicity, and high electron affinity. Herein, we report a copper-catalyzed multicomponent reaction conducted under aerobic conditions, which enables the production of highly soluble PFAFs with half-wave reduction potentials similar to those of C. Furthermore, the challenges posed by C-F coupling in carbon signal assignment were addressed through fluorine-decoupled carbon spectroscopy, facilitating precise structural characterization of the perfluoroalkyl moieties.

Study on Influence of Microwave Electric Field Direction on Evaporation Based on Molecular Dynamics.

Microwave-assisted evaporation technology is widely used today, but its molecular mechanism is not fully understood. To investigate the molecular mechanism of the influence of microwave electric field direction on water evaporation, this paper designed experiments to measure the microwave energy required to evaporate each gram of water with electric field directions parallel and perpendicular to the water surface. The temperature rise curve of the water is controlled to be consistent in both cases, and the temperature distribution of the water is made uniform by stirring.

Carbon nanofibre frameworks based on a π-extended oligo(perylene) diimide for high-rate lithium-ion batteries.

Anodes play an important role in lithium-ion batteries (LIBs) and have received much attention as ideal carbon anode materials for meeting the needs for high-rate capability, long-term stability, and high energy density. In this study, a π-extended oligo(perylene) diimide (PTN) is synthesized by using a solvothermal reaction with NH·HO as the decarboxylation reaction catalyst and perylene anhydride as the precursor. A nanocarbon fiber framework can be produced through self-assembly during the carbonization process of π-extended perylene diimide oligomers.

In Situ Analysis of Li Plating and Stripping Behaviors Under Dynamic Current Conditions for Realistic Application Scenarios.

Lithium metal batteries are considered the holy grail for next-generation high-energy systems. However, lithium anode faces poor reversibility, unsatisfying cyclability and rate capability due to its uncontrollable plating/stripping behavior. While galvanostatic conditions are extensively studied, the behavior under more realistic application scenarios with variable inputs are less explored.