Comparative study on numerical simulation of temperature field of farm house with different roof forms.

In recent years, the issue of energy consumption in farm buildings has received much attention. The roofs of farm buildings in Northwest China have a variety of roof forms. This paper presents the implementation of first fully confirmed the indoor thermal environment of different roof construction was significantly effected by periodic thermogenesis.

Tailoring raloxifene into single-component molecular crystals possessing multilevel stimuli-responsive room-temperature phosphorescence.

Simultaneously achieving room-temperature phosphorescence (RTP) and multiple-stimuli responsiveness in a single-component system is of significance but remains challenging. Crystallization has been recognized to be a workable strategy to fulfill the above task. However, how the molecular packing mode affects the intersystem crossing and RTP lifetime concurrently remains unclear so far.

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.

Supramolecular Radical Electronics.

Supramolecular radical chemistry is an emerging area bridging supramolecular chemistry and radical chemistry, and the integration of radicals into the supramolecular architecture offers a new dimension for tuning their structures and functions. Although various efforts have been devoted to the fabrication of supramolecular junctions, the charge transport characterization through the supramolecular radicals remained unexplored due to the challenges in creating supramolecular radicals at the single-molecule level. Here, we demonstrate the fabrication and charge transport investigation of a supramolecular radical junction using the electrochemical scanning tunneling microscope-based break junction (EC-STM-BJ) technique.

Near-infrared AIEgens with high singlet-oxygen yields for mitochondria-specific imaging and antitumor photodynamic therapy.

AIE-active photosensitizers (PSs) are promising for antitumor therapy due to their advantages of aggregation-promoted photosensitizing properties and outstanding imaging ability. High singlet-oxygen (O) yield, near-infrared (NIR) emission, and organelle specificity are vital parameters to PSs for biomedical applications. Herein, three AIE-active PSs with D-π-A structures are rationally designed to realize efficient O generation, by reducing the electron-hole distribution overlap, enlarging the difference on the electron-cloud distribution at the HOMO and LUMO, and decreasing the Δ.

Bionic Tactile-Gustatory Receptor for Object Identification Based on All-Polymer Electrochemical Transistor.

Human sensory receptors enable the real world to be perceived effortlessly. Hence, massive efforts have been devoted to the development of bionic receptors capable of identifying objects. Unfortunately, most of the existing devices are limited to single sensory emulation and are established on solid-state electronic technologies, which are incompatible with the biological reactions occurring in electrolyte media.

Van der Waals Multilayer Heterojunction for Low-Voltage Organic RGB Area-Emitting Transistor Array.

Organic light-emitting transistors (OLETs) have garnered considerable attention from academy and industry due to their potential applications in next-generation display technologies, multifunctional devices, and organic electrically pumped lasers. However, overcoming the trade-offs among power consumption, external quantum efficiency (EQE), and uniform area emission remains a long-standing issue for OLETs. Herein, a van der Waals multilayer heterojunction methodology is proposed to enhance the layer-to-layer interfacial interaction and contact, resulting in better dipole shielding, carrier transport, exciton recombination, and current density distribution.

Spatially nanoconfined N-type polymer semiconductors for stretchable ultrasensitive X-ray detection.

Polymer semiconductors are promising candidates for wearable and skin-like X-ray detectors due to their scalable manufacturing, adjustable molecular structures and intrinsic flexibility. Herein, we fabricated an intrinsically stretchable n-type polymer semiconductor through spatial nanoconfinement effect for ultrasensitive X-ray detectors. The design of high-orientation nanofiber structures and dense interpenetrating polymer networks enhanced the electron-transporting efficiency and stability of the polymer semiconductors.

Low-Voltage Intrinsically Stretchable Organic Transistor Amplifiers for Ultrasensitive Electrophysiological Signal Detection.

Stretchability is a prerequisite for electronic skin devices. However, state-of-the-art stretchable thin-film transistors do not possess sufficiently low operating voltages and good stability, significantly limiting their use in real-world biomedical applications. Herein, a van der Waals-controlling elastomer/carbon quantum dot interfacial polarization methodology is proposed to form a hybrid polymer dielectric with 620% tensile strain and large-area film uniformity (>A4 paper size).

σ-σ Stacked supramolecular junctions.

Intermolecular charge transport plays an essential role in organic electronic materials and biological systems. To date, experimental investigations of intermolecular charge transport in molecular materials and electronic devices have been restricted to conjugated systems in which π-π stacking interactions are involved. Herein we demonstrate that the σ-σ stacking interactions between neighbouring non-conjugated molecules offer an efficient pathway for charge transport through supramolecular junctions.

Room-temperature logic-in-memory operations in single-metallofullerene devices.

In-memory computing provides an opportunity to meet the growing demands of large data-driven applications such as machine learning, by colocating logic operations and data storage. Despite being regarded as the ultimate solution for high-density integration and low-power manipulation, the use of spin or electric dipole at the single-molecule level to realize in-memory logic functions has yet to be realized at room temperature, due to their random orientation. Here, we demonstrate logic-in-memory operations, based on single electric dipole flipping in a two-terminal single-metallofullerene (ScC@C(hept)-C) device at room temperature.

The Performance and Mechanism of the Green Explosion Suppressant SGA for Coal Dust Explosion Suppression.

In recent years, coal processing is developing rapidly, but there are often hidden safety hazards such as coal dust explosions during coal processing. In order to ensure safe production and avoid coal dust explosion accidents, a carrier with unique micro-mesoporous structure (SG) based waste molecular sieves was prepared. After that, the carrier was loaded with (NH)CO(A) uniformly by ultrasound, which acted as an activity component for the first time.

The Characterization of Electronic Noise in the Charge Transport through Single-Molecule Junctions.

With the goal of creating single-molecule devices and integrating them into circuits, the emergence of single-molecule electronics provides various techniques for the fabrication of single-molecule junctions and the investigation of charge transport through such junctions. Among the techniques for characterization of charge transport through molecular junctions, electronic noise characterization is an effective strategy with which issues from molecule-electrode interfaces, mechanisms of charge transport, and changes in junction configurations are studied. Electronic noise analysis in single-molecule junctions can be used to identify molecular conformations and even monitor reaction kinetics.

The Evolution of the Charge Transport Mechanism in Single-Molecule Break Junctions Revealed by Flicker Noise Analysis.

The electronic noise characterization of single-molecule devices provides insights into the mechanisms of charge transport. In this work, it is reported that flicker noise can serve as an indicator of the time-dependent evolution of charge transport mechanisms in the single-molecule break junction process. By introducing time-frequency analysis, the authors find that flicker noise components of the molecule junction show time evolution behavior in the dynamic break junction process.

Design, synthesis and biological evaluation of quinazoline derivatives as potent and selective FGFR4 inhibitors.

Aberrant activation of the fibroblast growth factor 19-fibroblast growth factor receptor 4 (FGF19-FGFR4) signaling pathway has been proved to promote hepatocellular carcinoma (HCC) proliferation. It is assumed that the first FGFR4 inhibitor BLU9931 did not enter clinical studies, presumably due to its rapid metabolism in liver microsomes. Here, we report the development of series of quinazoline derivatives based on FGFR4 inhibitor BLU9931 through structural modification of its solvent region pocket to minimize its potential metabolic liability.

Preparation and performance characterization of a new dust suppressant with a cross-linked network structure for use in open-pit coal mines.

In an effort to control dust pollution in open-air environments such as pit coal mines and coal transportation systems, a new dust suppressant with a cross-linked network structure was prepared. Graft copolymerization of soy protein isolate (SPI) and methacrylic acid (MAA), using potassium persulfate (KPS) as the initiator and hexametaphosphoric acid (SHMP) as the cross-linking agent, formed the network structure. The optimal MAA/SPI mass ratio for the dust suppressant was determined through a single-factor experiment to be 3:4, with 0.

Electric field-induced switching among multiple conductance pathways in single-molecule junctions.

Here, we report the switching among multiple conductance pathways achieved by sliding the scanning tunneling microscope tip among different binding sites under different electric fields. With an increase in the electric field, high molecular conductance states appear, suggesting the formation of different configurations in single-molecule junctions. The switch can be operated in situ and reversibly, which is also confirmed by the apparent conductance conversion in I-V measurements.

Discovery of phenyl-linked symmetric small molecules as inhibitors of the programmed cell death-1/programmed cell death-ligand 1 interaction.

Programmed cell death-1/programmed cell death ligand 1 (PD-1/PD-L1) is one of the most promising targets in the field of immune checkpoint blockade therapy. Beginning with our exploration of linkers and structure-activity relationship research, we found that the aromatic ring could replace the linker and aryl group to maintain the satisfactory activity of classic triaryl scaffold inhibitor. Based on previous studies, we designed and synthesized a series of C-symmetric phenyl-linked compounds, and further tail optimization afforded the inhibitors, which displayed promising inhibitory activity against the PD-1/PD-L1 interaction with IC value at the single nanomolar range (C13-C15).

Confidence set-membership state estimation for LPV systems with inexact scheduling variables.

In this paper, a confidence set-membership state estimator is proposed for a class of polytopic linear parameter varying (LPV) systems with inexact scheduling variables. The set-bounded and Gaussian uncertainties are considered simultaneously in the process disturbances and measurement noises. The purpose of the proposed estimator is to achieve a confidence set of the state with given confidence level.

The Glaesserella parasuis phosphoglucomutase is partially required for lipooligosaccharide synthesis.

Lipooligosaccharides (LOSs) are virulence determinants of Glaesserella parasuis, a pathogen of the respiratory tract of pigs. We previously reported that disruption of the galU or galE gene in G. parasuis results in increased sensitivity to porcine serum, indicating that the galactose catabolism pathway is required for polysaccharide formation in G.

Probing Cellular and Molecular Mechanisms of Cigarette Smoke-Induced Immune Response in the Progression of Chronic Obstructive Pulmonary Disease Using Multiscale Network Modeling.

Chronic obstructive pulmonary disease (COPD) is a chronic inflammatory disorder characterized by progressive destruction of lung tissues and airway obstruction. COPD is currently the third leading cause of death worldwide and there is no curative treatment available so far. Cigarette smoke (CS) is the major risk factor for COPD.

Synthesis and biological evaluation of novel hybrid chalcone derivatives as vasorelaxant agents.

With the aim to further improve the vasorelaxant activities of chalcones, nine hybrid chalcone derivatives conjugated with nitric oxide (NO) donor or 1,4-dihydropyridyl (1,4-DHP) moiety were designed and synthesized based on molecular hybridization strategy. Their vasorelaxant activities were evaluated in aortic rings with endothelium pre-contracted with phenylephrine (PE). All of these compounds showed preferable vasorelaxant activities which were more potent than their parent compounds.