Rényi relative entropy based monogamy of entanglement in tripartite systems.

A comprehensive investigation of the entanglement characteristics is carried out on tripartite spin-1/2 systems, examining prototypical tripartite states, the thermal Heisenberg model, and the transverse field Ising model. The entanglement is computed using the Rényi relative entropy. In the traditional Rényi relative entropy, the generalization parameter α can take values only in the range [Formula: see text] due to the requirements of joint convexity of the measure.

Influence of phonon anharmonicity on Raman spectra of CuZnSn(S,Se) polycrystalline thin films through computational study.

CuZnSn(S,Se) (CZT(S,Se)) thin films exhibit the characteristics necessary to be effective absorbers in solar cells. In this report, the room temperature experimental Raman scattering spectra, recorded at different excitation wavelengths, are systematically analyzed theoretically using the results of DFT harmonic frequencies calculations at the Γ-point for various modifications of kesterite (KS), stannite (ST), and pre-mixed Cu-Au (PMCA) crystal structures. The specific anharmonism-induced features in the spectra of CZT(S,Se) crystals are identified, and the spectral lineshapes at varied strengths of anharmonic interaction are simulated.

A stable open-shell peri-hexacene with remarkable diradical character.

[n]Peri-acenes ([n]PA) have attracted great interest as promising candidates for nanoelectronics and spintronics. However, the synthesis of large [n]PA (n > 4) is extremely challenging due to their intrinsic open-shell radical character and high reactivity. Herein, we report the successful synthesis and isolation of a derivative (1) of peri-hexacene in crystalline form.

A stable and biocompatible shortwave infrared nanoribbon for dual-channel in vivo imaging.

The shortwave infrared (SWIR) region is an ideal spectral window for next-generation bioimaging to harness improved penetration and reduced phototoxicity. SWIR spectral activity may also be accessed via supramolecular dye aggregation. Unfortunately, development of dye aggregation remains challenging.

Mendelian randomization analysis of blood uric acid and risk of preeclampsia: based on GWAS and eQTL data.

Background: The causal association between blood uric acid and preeclampsia (Preeclampsia, PE) has not been conclusively established based on the literature reviewed to date. This bi-directional Mendelian randomization study aimed to investigate the bi-directional causal association between blood uric acid concentration and PE at different genetic levels.

Methods: Pooled data on preeclampsia (sample size = 82,085) and blood uric acid (sample size = 129,405) were conducted based on publicly available genome-wide association analysis (Genome-Wide Association Study, GWAS) on the East Asian populations regarding preeclampsia and blood uric acid, respectively.

"Cation-Recognition" Effect of 2D Nanochannels in Graphene Oxide Membranes Intercalated with Ionic Liquid for High Desalination Performance.

Water and ion transport in nanochannels is crucial for membrane-based technology in biological systems. 2D materials, especially graphene oxide (GO), the most frequently used as the starting material, are ideal building blocks for developing synthetic membranes. However, the selective exclusion of small ions while maintaining in a pressured filtration process remains a challenge for GO membranes.

A Cosolvent Electrolyte Boosting Electrochemical Alkynol Semihydrogenation.

Green electricity-driven alkenol electrosynthesis via electrocatalytic alkynol semihydrogenation represents a sustainable route to conventional thermocatalysis. Both the electrocatalyst and electrolyte strongly impact the semihydrogenation performance. Despite significant progress in developing sophisticated electrocatalysts, a well-designed electrolyte in conjunction with industrial catalysts is an attractive strategy to advance the industrialization process of electrocatalytic alkynol semihydrogenation, but remains unexplored.

NAC4ED: A high-throughput computational platform for the rational design of enzyme activity and substrate selectivity.

In silico computational methods have been widely utilized to study enzyme catalytic mechanisms and design enzyme performance, including molecular docking, molecular dynamics, quantum mechanics, and multiscale QM/MM approaches. However, the manual operation associated with these methods poses challenges for simulating enzymes and enzyme variants in a high-throughput manner. We developed the NAC4ED, a high-throughput enzyme mutagenesis computational platform based on the "near-attack conformation" design strategy for enzyme catalysis substrates.

Protein engineering in the deep learning era.

Advances in deep learning have significantly aided protein engineering in addressing challenges in industrial production, healthcare, and environmental sustainability. This review frames frequently researched problems in protein understanding and engineering from the perspective of deep learning. It provides a thorough discussion of representation methods for protein sequences and structures, along with general encoding pipelines that support both pre-training and supervised learning tasks.

Skeletal interoception and prospective application in biomaterials for bone regeneration.

Accumulating research has shed light on the significance of skeletal interoception, in maintaining physiological and metabolic homeostasis related to bone health. This review provides a comprehensive analysis of how skeletal interoception influences bone homeostasis, delving into the complex interplay between the nervous system and skeletal system. One key focus of the review is the role of various factors such as prostaglandin E2 (PGE2) in skeletal health via skeletal interoception.

A dual-drive strategy for enhanced protein crystallization with sodium alginate/hyaluronic acid film: Protein adsorption and supersaturation regulation.

Protein crystallization is essential for determining the three-dimensional structures of biomacromolecules and advancing biopharmaceutical development, yet it remains a major challenge in structural biology due to common issues like slow nucleation rates and inconsistent crystal quality. Herein, a dual-drive crystallization (DDC) strategy, relying on a composite film of sodium alginate (SA) and hyaluronic acid (HA), is reported to synergistically regulate both protein adsorption and solution supersaturation. Driven by the electrostatic interactions of SA and the water absorption properties of HA, the SA/HA film achieves enhanced crystallization efficiency and controlled crystal quality mainly.

Ancestral Nitrilase Mining and Semi-Rational Engineering for Enhanced Thermal Stability in Rapeseed Meals-Derived Nitriles Degradation.

Rapeseed meal (RSM), a protein-rich byproduct, holds potential as a high-quality animal feed, but nitrile compounds derived from glucosinolates (GSLs) in RSM pose a toxicity risk. Nitrilases, enzymes that hydrolyze toxic nitriles to carboxylic acids, offer a potential solution for detoxification. However, the low thermal stability of nitrilases restricts their industrial applicability.

Novel Stepped Combined Constructed Wetland For Surface Water Removal: Enhancing the Performance and Responses of Microbial Communities.

Micro-polluted surface waters (MPSWs) draw increased concern for environmental protection. However, traditional treatment methods such as activated sludge, ozone activated carbon, and membrane filtration suffer from high cost and susceptibility to secondary pollution and are rarely used to address MPSWs. Herein, a new stepped combined constructed wetland planted with without additional inputs was developed.

Identification of bacterial communities associated with needle mushroom () and its production environment.

is an important edible and medicinal mushroom widely cultivated in East Asia, with its quality and health strongly influenced by associated microbial communities. However, limited data exist on the bacterial communities associated with cultivation in Chinese farms. This study investigated bacterial communities associated with and its production environment using high-throughput 16S rRNA gene amplicon sequencing and culture-dependent methods.

Tumor microenvironment and immunotherapy for triple-negative breast cancer.

Triple-negative breast cancer (TNBC) is a subtype of breast cancer known for its high aggressiveness and poor prognosis. Conventional treatment of TNBC is challenging due to its heterogeneity and lack of clear targets. Recent advancements in immunotherapy have shown promise in treating TNBC, with immune checkpoint therapy playing a significant role in comprehensive treatment plans.

Molten Salt-Assisted Synthesis of Porous Precious Metal-Based Single-Atom Catalysts for Oxygen Reduction Reaction.

Precious metal-based single-atom catalysts (PM-SACs) hosted in N-doped carbon supports have shown new opportunities to revolutionize cathodic oxygen reduction reaction (ORR). However, stabilizing the high density of PM-N sites remains a challenge, primarily due to the inherently high free energy of isolated metal atoms, predisposing them to facile atomic agglomeration. Herein, a molten salt-assisted synthesis strategy is proposed to prepare porous PM/N-C (PM = Ru, Pt, and Pd) electrocatalysts with densely accessible PM-N sites.

Tamsulosin ameliorates bone loss by inhibiting the release of Cl through wedging into an allosteric site of TMEM16A.

TMEM16A, a key calcium-activated chloride channel, is crucial for many physiological and pathological processes such as cancer, hypertension, and osteoporosis, etc. However, the regulatory mechanism of TMEM16A is poorly understood, limiting the discovery of effective modulators. Here, we unveil an allosteric gating mechanism by presenting a high-resolution cryo-EM structure of TMEM16A in complex with a channel inhibitor that we identified, Tamsulosin, which is resolved at 2.

Colloidal ZnAl-Layered Double Hydroxide Nanomaterials for Effective Prevention of SARS-CoV-2.

SARS-CoV-2 is a threat to global public health, which requires the development of safe measures to reduce the spread of this coronavirus. Herein, in this study, we prepared and examined potential antiviral agents based on ZnAl-layered double hydroxide (ZnAl-LDH) materials. ZnAl-LDH-based samples were synthesized via a one-pot low-temperature coprecipitation method, which features an ultrathin structure.

IMPDH2 dephosphorylation under FGFR signaling promotes S-phase progression and tumor growth.

Inosine monophosphate dehydrogenase 2 (IMPDH2) is highly expressed in human cancers; however, its physiological relevance under growth signaling remains to be investigated. Here, we show that IMPDH2 serine 122 is phosphorylated by CDK1, and this modification attenuates the catalytic activity of IMPDH2 for IMP oxidation and simultaneously represses its allosteric modulation by purine nucleotides. Fibroblast growth factor receptor (FGFR) signaling activation triggers IMPDH2-Ser122 dephosphorylation mediated by protein phosphatase 2A (PP2A), which is dependent on FGFR3-mediated PPP2R1A-Tyr261 phosphorylation leading to PPP2CA-PPP2R1A-IMPDH2 interactions.

Mean Nocturnal Baseline Impedance May Be Greater Than 2500 Ohms in Chinese Patients With GERD.

Background: According to the Lyon Consensus 2.0, mean nocturnal baseline impedance (MNBI) greater than 2500 Ω is considered evidence against gastroesophageal reflux disease (GERD). However, we have observed that a subset of GERD patients presents with MNBI exceeding 2500 Ω.

Total glucosides of paeony ameliorates chemotherapy-induced neuropathic pain by suppressing microglia pyroptosis through the inhibition of KAT2A-mediated p38 pathway activation and succinylation.

Chemotherapy-induced neuropathic pain (CINP) is a prevalent side effect of chemotherapy. Total glucosides of paeony (TGP) have been shown to be effective in pain management. This study aimed to investigate the efficacy and mechanism of TGP in alleviating CINP.