MO-GCN: A multi-omics graph convolutional network for discriminative analysis of schizophrenia.

The methodology of machine learning with multi-omics data has been widely adopted in the discriminative analyses of schizophrenia, but most of these studies ignored the cooperative interactions and topological attributes of multi-omics networks. In this study, we constructed three types of brain graphs (BGs), three types of gut graphs (GGs), and nine types of brain-gut combined graphs (BGCGs) for each individual. We proposed a novel methodology of multi-omics graph convolutional network (MO-GCN) with an attention mechanism to construct a classification model by integrating all BGCGs.

Spatial Conformation Engineering of Aromatic Ketones for Highly Efficient and Stable Perovskite Solar Cells.

Carbonyl-containing materials employed in state-of-the-art hybrid lead halide perovskite solar cells (PSCs) exhibit a strong structure-dependent electron donor effect that predominates in defect passivation. However, the impact of the molecular spatial conformation on the efficacy of carbonyl-containing passivators remains ambiguous, hindering the advancement of molecular design for passivating materials. Herein, we show that altering the spatial torsion angle of aromatic ketones from twisted to planar configurations, as seen in benzophenone (BP, 27.

Exploring Framework Nucleic Acids: A Perspective on Their Cellular Applications.

Cells are fundamental units of life. The coordination of cellular functions and behaviors relies on a cascade of molecular networks. Technologies that enable exploration and manipulation of specific molecular events in living cells with high spatiotemporal precision would be critical for pathological study, disease diagnosis, and treatment.

Design of Environmental-Friendly Carbon-Based Catalysts for Efficient Advanced Oxidation Processes.

Advanced oxidation processes (AOPs) represent one of the most promising strategies to generate highly reactive species to deal with organic dye-contaminated water. However, developing green and cost-effective catalysts is still a long-term goal for the wide practical application of AOPs. Herein, we demonstrated doping cobalt in porous carbon to efficiently catalyze the oxidation of the typically persistent organic pollutant rhodamine B, via multiple reactive species through the activation of peroxymonosulfate (PMS).

High-Quality Data Enabling Universality of Band Gap Descriptor and Discovery of Photovoltaic Perovskites.

Extensive machine-learning-assisted research has been dedicated to predicting band gaps for perovskites, driven by their immense potential in photovoltaics. Yet, the effectiveness is often hampered by the lack of high-quality band gap data sets, particularly for perovskites involving d orbitals. In this work, we consistently calculate a large data set of band gaps with a high level of accuracy, which is rigorously validated by experimental and state-of-the-art GW band gaps.

Association of self-reported arthritis with depression, anxiety, and comorbid depression/anxiety among the older Chinese adults: A cross-sectional study.

Background: Arthritis is relatively common among middle-aged and older people and is a significant public health problem. However, research on the relationship between arthritis and mental health in older populations is currently limited.

Methods: Data were obtained from the Chinese Longitudinal Healthy Longevity Survey.

Chromogranin B (CHGB) is dimorphic and responsible for dominant anion channels delivered to cell surface via regulated secretion.

Regulated secretion is conserved in all eukaryotes. In vertebrates granin family proteins function in all key steps of regulated secretion. Phase separation and amyloid-based storage of proteins and small molecules in secretory granules require ion homeostasis to maintain their steady states, and thus need ion conductances in granule membranes.

Suggestive evidence of CYP4F2 gene polymorphisms with HAPE susceptibility in the Chinese Han population.

High altitude pulmonary edema (HAPE) is a common respiratory disease in the high altitude area, which is rapid and harmful. We firstly conducted a case-control study to assess the potential association of CYP4F2 gene polymorphisms with HAPE susceptibility in the Chinese Han population. The study recruited 238 patients with HAPE and 230 healthy controls in Northwest China.

UAV imaging and deep learning based method for predicting residual film in cotton field plough layer.

In this paper, a method for predicting residual film content in the cotton field plough layer based on UAV imaging and deep learning was proposed to solve the issues of high labour intensity, low efficiency, and high cost of traditional methods for residual film content monitoring. Images of residual film on soil surface in the cotton field were collected by UAV, and residual film content in the plough layer was obtained by manual sampling. Based on the three deep learning frameworks of LinkNet, FCN, and DeepLabv3, a model for segmenting residual film from the cotton field image was built.

Using Patient-Derived Xenograft (PDX) Models as a 'Black Box' to Identify More Applicable Patients for ADP-Ribose Polymerase Inhibitor (PARPi) Treatment in Ovarian Cancer: Searching for Novel Molecular and Clinical Biomarkers and Performing a Prospective Preclinical Trial.

(1) The accuracy of patient-derived xenografts (PDXs) in predicting ADP-ribose polymerase inhibitor (PARPi) efficacy in ovarian cancer was tested, novel biomarkers were investigated, and whether PARPis could replace platinum-based chemotherapy as a first-line therapy was explored. (2) PDXs were reconstructed for 40 patients with ovarian cancer, and niraparib, olaparib and paclitaxel, and carboplatin (TC) sensitivity tests were conducted. Whole exon sequencing and homologous recombination deficiency (HRD) scores were performed, and patient clinical information was collected.

Evaluation of residual plastic film pollution in pre-sowing cotton field using UAV imaging and semantic segmentation.

To accurately evaluate residual plastic film pollution in pre-sowing cotton fields, a method based on modified U-Net model was proposed in this research. Images of pre-sowing cotton fields were collected using UAV imaging from different heights under different weather conditions. Residual films were manually labelled, and the degree of residual film pollution was defined based on the residual film coverage rate.

New insights into ESIPT mechanism of three sunscreen compounds in solution: A combined experimental and theoretical study.

In this present work, we have successfully designed and investigated three flavonoid sunscreen compounds. Based on steady-state spectroscopy and time-dependent density functional theory (TDDFT), the mechanism of excited state intramolecular proton transfer (ESIPT) of sunscreen compounds was studied. The calculated UV-vis absorption spectra and fluorescence emission spectra are in good agreement with the experimental results in methanol solution.

Temperature-Dependent Electronic Ground-State Charge Transfer in van der Waals Heterostructures.

Electronic charge rearrangement between components of a heterostructure is the fundamental principle to reach the electronic ground state. It is acknowledged that the density of state distribution of the components governs the amount of charge transfer, but a notable dependence on temperature is not yet considered, particularly for weakly interacting systems. Here, it is experimentally observed that the amount of ground-state charge transfer in a van der Waals heterostructure formed by monolayer MoS sandwiched between graphite and a molecular electron acceptor layer increases by a factor of 3 when going from 7 K to room temperature.

Excited state electronic structures and photochemistry of different oxidation states of 2,2'-azino-bis-(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS).

The molecular structures of 2,2-azino-bis-(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), were calculated by using time-dependent density functional theory (TDDFT) model with M062X method with 6-311G (d, p) basis set. In this work, the ABTS were theoretically investigated from the geometric structure, the energy levels of the lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO), the energy level gap ΔE of the molecular ground state, excited stated properties and the electronic absorption spectra of different oxidation states. We studied the energy levels of LUMO and HOMO of ABTS in different oxidation states.

Mechanisms of proton inhibition and sensitization of the cation channel TRPV3.

TRPV3 is a temperature-sensitive, nonselective cation channel expressed prominently in skin keratinocytes. TRPV3 plays important roles in hair morphogenesis and maintenance of epidermal barrier function. Gain-of-function mutations of TRPV3 have been found in both humans and rodents and are associated with hair loss, pruritus, and dermatitis.

Structure-Based Modification of an Anti-neuraminidase Human Antibody Restores Protection Efficacy against the Drifted Influenza Virus.

Here, we investigate a monoclonal antibody, Z2B3, isolated from an H7N9-infected patient, that exhibited cross-reactivity to both N9 (group 2) and a broad range of seasonal and avian N1 (group 1) proteins but lost activity to the N1 with the substitution K432E. This substitution exists in 99.25% of seasonal influenza strains after 2013.

A simulation training course for family medicine residents in China managing COVID-19.

Background And Objectives: As a result of the pandemic, family physicians face the additional challenge of navigating COVID-19. The aim of this study was to provide simulated training for best-practice management of COVID-19 presentations for residency program trainees in Shanghai, China.

Method: A simulated suspected COVID-19 case was designed on the basis of a real patient.

Ultrafast Nonadiabatic Photoisomerization Dynamics Mechanism for the UV Photoprotection of Stilbenoids in Grape Skin.

Natural UV photoprotection plays a vital role in physiological protection. It has been reported that UVC radiation can make resveratrol (RSV) and piceatannol (PIC) accumulate in grape skin. In this work, we demonstrated that RSV and PIC could significantly absorb UVA and UVB, and confirmed their satisfactory photostability.

Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.

Since 2013, H7N9 avian influenza viruses (AIVs) have caused more than 1,600 human infections, posing a threat to public health. An emerging concern is whether H7N9 AIVs will cause pandemics among humans. Molecular analysis of hemagglutinin (HA), which is a critical determinant of interspecies transmission, shows that the current H7N9 AIVs are still dual-receptor tropic, indicating limited human-to-human transmission potency.

Systematic Review and Meta-Analysis of 12 Randomized Controlled Trials Evaluating the Efficacy of Invasive Radiofrequency Treatment for Knee Pain and Function.

Radiofrequency (RF) treatment is an invasive and promising procedure in the treatment of osteoarthritis (OA). A meta-analysis based on 12 RCT studies was to investigate whether invasive RF treatment is more effective in relieving knee pain and improving knee function. Relevant studies were searched on database of Pubmed, Embase, EBSCO, Cochrane library, Wanfang digital database, VIP database, and CNKI up to January 2018.

Molecular Basis of Arthritogenic Alphavirus Receptor MXRA8 Binding to Chikungunya Virus Envelope Protein.

Arthritogenic alphaviruses, such as Chikungunya virus (CHIKV), cause severe and debilitating rheumatic diseases worldwide, resulting in severe morbidity and economic costs. Recently, MXRA8 was reported as an entry receptor. Here, we present the crystal structures of the mouse MXRA8, human MXRA8 in complex with the CHIKV E protein, and the cryo-electron microscopy structure of human MXRA8 and CHIKV virus-like particle.

Anti-Multipath Performance Improvement of an M-ary Position Phase Shift Keying Modulation System.

Low-Power Wide-Area Network (LPWAN) is the technology that the Internet-of-Things (IoT) uses in long-distance, wide-coverage scenarios. As one of the ultra-narrowband (UNB) modulation techniques, M-ary position phase shift keying (MPPSK) modulation can provide high coverage and high reliability for LPWAN. This paper proposes a multipath separation method based on MPPSK modulation, which aims to eliminate the influence of multipath on the main path without increasing the spectrum overhead and system complexity.

The FG Loop of PD-1 Serves as a "Hotspot" for Therapeutic Monoclonal Antibodies in Tumor Immune Checkpoint Therapy.

Programmed cell death 1 (PD-1)/PD-1 ligand-1 (PD-L1)-blocking monoclonal antibodies (mAbs) have taken center stage for tumor immune checkpoint therapy. Identification of the "hotspots" on PD-1 for mAbs will help to develop next-generation oral deliverable agents with long-lasting efficacy. Here, we identified two PD-1-targeting mAbs, GY-5 and GY-14, with PD-1/PD-L1-blocking efficacy.