Discovery of a Novel and Potent LCK Inhibitor for Leukemia Treatment via Deep Learning and Molecular Docking.

The lymphocyte-specific protein tyrosine kinase (LCK) plays a crucial role in both T-cell development and activation. Dysregulation of LCK signaling has been demonstrated to drive the oncogenesis of T-cell acute lymphoblastic leukemia (T-ALL), thus providing a therapeutic target for leukemia treatment. In this study, we introduced a sophisticated virtual screening strategy combined with biological evaluations to discover potent LCK inhibitors.

Discovery of potent small molecule ubiquitin-specific protease 10 inhibitors with anti-hepatocellular carcinoma activity through regulating YAP expression.

High expression of ubiquitin-specific protease 10 (USP10) promote the proliferation of hepatocellular carcinoma (HCC), thus the development of USP10 inhibitors holds promise as a novel therapeutic approach for HCC treatment. However, the development of selective USP10 inhibitor is still limited. In this study, we developed a novel USP10 inhibitor for investigating the feasibility of targeting USP10 for the treatment of HCC.

Tri-system integration in metal-oxide nanocomposites via in-situ solution-processed method for ultrathin flexible transparent electrodes.

For stable operation of ultrathin flexible transparent electrodes (uFTEs), it is critical to implement effective risk management during concurrent multi-loading operation of electrical bias and mechanical folding cycles in high-humidity environments. Despite extensive efforts in preparing solution-processed uFTEs with cost-effective and high-throughput means, achieving in-situ nano-adhesion in heterogeneous metal-oxide nanocomposites remains challenging. In this work, we observed by serendipity liquid-like behaviour of transparent metal-oxide-semiconductor zinc oxide nanoparticles (NPs) onto silver nanowires (NWs) developed by in-situ solution processed method (iSPM).

Selenium substitution for dielectric constant improvement and hole-transfer acceleration in non-fullerene organic solar cells.

Dielectric constant of non-fullerene acceptors plays a critical role in organic solar cells in terms of exciton dissociation and charge recombination. Current acceptors feature a dielectric constant of 3-4, correlating to relatively high recombination loss. We demonstrate that selenium substitution on acceptor central core can effectively modify molecule dielectric constant.

Identification and assessment of new PIM2 inhibitors for treating hematologic cancers: A combined approach of energy-based virtual screening and machine learning evaluation.

PIM2, part of the PIM kinase family along with PIM1 and PIM3, is often overexpressed in hematologic cancers, fueling tumor growth. Despite its significance, there are no approved drugs targeting it. In response to this challenge, we devised a thorough virtual screening workflow for discovering novel PIM2 inhibitors.

The Role of "Hierarchical and Classified Prevention and Control Measures (HCPC)" Strategy for SARS-CoV-2 Delta Variant in Guangzhou: A Modeling Study.

Background: The Delta variant of SARS-COV-2 has replaced previously circulating strains around the world in 2021. Sporadic outbreaks of the Delta variant in China have posed a concern about how to properly respond to the battle against evolving COVID-19. Here, we analyzed the "hierarchical and classified prevention and control (HCPC)" measures strategy deployed during the recent Guangzhou outbreak.

Nomogram for Predicting Early Mortality after Umbilical Cord Blood Transplantation in Children with Inborn Errors of Immunity.

Purpose: Pediatric patients with inborn errors of immunity (IEI) undergoing umbilical cord blood transplantation (UCBT) are at risk of early mortality. Our aim was to develop and validate a prediction model for early mortality after UCBT in pediatric IEI patients based on pretransplant factors.

Methods: Data from 230 pediatric IEI patients who received their first UCBT between 2014 and 2021 at a single center were analyzed retrospectively.

Suppressing Nickel Oxide/Perovskite Interface Redox Reaction and Defects for Highly Performed and Stable Inverted Perovskite Solar Cells.

The inorganic hole transport layer of nickel oxide (NiO ) has shown highly efficient, low-cost, and scalable in perovskite photovoltaics. However, redox reactions at the interface between NiO and perovskites limit their commercialization. In this study, ABABr (4-(2-Aminoethyl) benzoic acid bromide) between the NiO and different perovskite layers to address the issues has been introduced.

Runx2 regulates chromatin accessibility to direct the osteoblast program at neonatal stages.

The transcriptional regulator Runx2 (runt-related transcription factor 2) has essential but distinct roles in osteoblasts and chondrocytes in skeletal development. However, Runx2-mediated regulatory mechanisms underlying the distinctive programming of osteoblasts and chondrocytes are not well understood. Here, we perform an integrative analysis to investigate Runx2-DNA binding and chromatin accessibility ex vivo using neonatal osteoblasts and chondrocytes.

Durability of Hepatitis B surface antigen seroclearance in patients experienced nucleoside analogs or interferon monotherapy: A real-world data from Electronic Health Record.

Little is known about the difference in durability of HBsAg seroclearance induced by nucleoside analogs (NAs) or by interferon (IFN). A real-world, retrospective cohort study was conducted. Patients were assigned into two groups: NAs monotherapy-induced HBsAg seroclearance subjects and IFN monotherapy induced-HBsAg seroclearance subjects.

Machine Learning Approaches-Driven for Mortality Prediction for Patients Undergoing Craniotomy in ICU.

Objectives: We aimed to predict the mortality of patients with craniotomy in ICU by using predictive models to extract the high-risk factors leading to the death of patients from a retrospective a study.

Methods: Five machine-learning (ML) algorithms were applied for training on mortality predictive models with the data from a surgical intensive care unit (ICU) database of the Fujian Provincial Hospital in China. The accuracy, precision, recall, f1 score and the area under the receiver operator characteristic curve (AUC) were used to evaluate the performance of different models, and the calibration of the model was evaluated by brier score.

1-Chloronaphthalene-Induced Donor/Acceptor Vertical Distribution and Carrier Dynamics Changes in Nonfullerene Organic Solar Cells and the Governed Mechanism.

Electron donors and acceptors in organic solar cells (OSCs) shall strike a favorable vertical phase separation that acceptors and donors have sufficient contact and gradient accumulation near the cathodes and anodes, respectively. Random mixing of donors/acceptors at surface will result in charge accumulation and severe recombination for low carrier-mobility organic materials. However, it is challenging to tune the vertical distribution in bulk-heterojunction films as they are usually made from a well-mixed donor/acceptor solution.

Coronavirus disease 2019 outbreak in Beijing's Xinfadi Market, China: a modeling study to inform future resurgence response.

Background: A local coronavirus disease 2019 (COVID-19) case confirmed on June 11, 2020 triggered an outbreak in Beijing, China after 56 consecutive days without a newly confirmed case. Non-pharmaceutical interventions (NPIs) were used to contain the source in Xinfadi (XFD) market. To rapidly control the outbreak, both traditional and newly introduced NPIs including large-scale management of high-risk populations and expanded severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) PCR-based screening in the general population were conducted in Beijing.

Wetland Changes and Their Relation to Climate Change in the Pumqu Basin, Tibetan Plateau.

Wetland ecosystems play one of the most crucial roles in the world. Wetlands have the functions of ecological water storage, water supply, and climate regulation, which plays an indispensable role in global environmental security. The Pumqu River Basin (PRB) is located in an area with extremely vulnerable ecological environment, where climate change is obvious.

Critical Role of Functional Groups in Defect Passivation and Energy Band Modulation in Efficient and Stable Inverted Perovskite Solar Cells Exceeding 21% Efficiency.

Interfaces in perovskite solar cells (PSCs) are closely related to their power conversion efficiency (PCE) and stability. It is highly desirable to minimize the interfacial nonradiative recombination losses through rational interfacial engineering. Herein we develop an effective and easily reproducible interface engineering strategy where three mercaptobenzimidazole (MBI)-based molecules are employed to modify the perovskite/electron transport layer (ETL) interface.

High Phase Stability in CsPbI Enabled by Pb-I Octahedra Anchors for Efficient Inorganic Perovskite Photovoltaics.

CsPbI inorganic perovskite has exhibited some special properties particularly crystal structure distortion and quantum confinement effect, yet the poor phase stability of CsPbI severely hinders its applications. Herein, the nature of the photoactive CsPbI phase transition from the perspective of PbI octahedra is revealed. A facile method is also developed to stabilize the photoactive phase and to reduce the defect density of CsPbI .

Stabilized Molybdenum Trioxide Nanowires as Novel Ultrahigh-Capacity Cathode for Rechargeable Zinc Ion Battery.

Exploration of high-performance cathode materials for rechargeable aqueous Zn ion batteries (ZIBs) is highly desirable. The potential of molybdenum trioxide (MoO) in other electrochemical energy storage devices has been revealed but held understudied in ZIBs. Herein, a demonstration of orthorhombic MoO as an ultrahigh-capacity cathode material in ZIBs is presented.

Phosphorus pentoxide/metal chloride mediated efficient and facile catalytic conversion of fructose into 5-hydroxymethylfurfural.

Phosphorus pentoxide (PO)/metal chloride mixtures could significantly improve 5-HMF yield and selectivity for the catalytic conversion of fructose under mild conditions, whereas neither PO nor tested metal chloride alone gave reasonable performances. A maximum 5-HMF yield of 75% with ∼85% selectivity could be achieved within 30 min at 80 °C.

Synergistic co-regulation and competition by a SOX9-GLI-FOXA phasic transcriptional network coordinate chondrocyte differentiation transitions.

The growth plate mediates bone growth where SOX9 and GLI factors control chondrocyte proliferation, differentiation and entry into hypertrophy. FOXA factors regulate hypertrophic chondrocyte maturation. How these factors integrate into a Gene Regulatory Network (GRN) controlling these differentiation transitions is incompletely understood.

Sox9 positive periosteal cells in fracture repair of the adult mammalian long bone.

Introduction: The phases of fracture healing have been well characterized. However, the exact source and genetic profile of the skeletal progenitors that participate in bone repair is somewhat unclear. Sox9 expression in skeletal elements precedes bone and cartilage formation and a Sox9 cell type is retained in the adult periosteum.

Porous MoO nanowires as stable and high-rate negative electrodes for electrochemical capacitors.

Free-standing porous MoO nanowires with extraordinary capacitive performance are developed as high-performance electrodes for electrochemical capacitors. The as-obtained MoO electrode exhibits a remarkable capacitance of 424.4 mF cm with excellent electrochemical durability (no capacitance decay after 10 000 cycles at various scan rates).

AP-1 family members act with Sox9 to promote chondrocyte hypertrophy.

An analysis of Sox9 binding profiles in developing chondrocytes identified marked enrichment of an AP-1-like motif. Here, we have explored the functional interplay between Sox9 and AP-1 in mammalian chondrocyte development. Among AP-1 family members, Jun and Fosl2 were highly expressed within prehypertrophic and early hypertrophic chondrocytes.

Sp7/Osterix Is Restricted to Bone-Forming Vertebrates where It Acts as a Dlx Co-factor in Osteoblast Specification.

In extant species, bone formation is restricted to vertebrate species. Sp7/Osterix is a key transcriptional determinant of bone-secreting osteoblasts. We performed Sp7 chromatin immunoprecipitation sequencing analysis identifying a large set of predicted osteoblast enhancers and validated a subset of these in cell culture and transgenic mouse assays.

Solar-microbial hybrid device based on oxygen-deficient niobium pentoxide anodes for sustainable hydrogen production.

Hydrogen gas is emerging as an attractive fuel with high energy density for the direction of energy resources in the future. Designing integrated devices based on a photoelectrochemical (PEC) cell and a microbial fuel cell (MFC) represents a promising strategy to produce hydrogen fuel at a low price. In this work, we demonstrate a new solar-microbial (PEC-MFC) hybrid device based on the oxygen-deficient NbO nanoporous (NbO NPs) anodes for sustainable hydrogen generation without external bias for the first time.

Iroquois Proteins Promote Skeletal Joint Formation by Maintaining Chondrocytes in an Immature State.

An early event in skeletal joint development is the specification of articular chondrocytes at the joint surface. Articular chondrocytes are distinct in producing lower levels of cartilage matrix and not being replaced by bone, yet how they acquire these properties remains poorly understood. Here, we show that two members of the Iroquois transcriptional repressor family, Irx7 and Irx5a, function to block chondrocyte maturation at the developing hyoid joint of zebrafish.