Path integral Monte Carlo in a discrete variable representation with Gibbs sampling: Dipolar planar rotor chain.

In this work, we propose a path integral Monte Carlo approach based on discretized continuous degrees of freedom and rejection-free Gibbs sampling. The ground state properties of a chain of planar rotors with dipole-dipole interactions are used to illustrate the approach. Energetic and structural properties are computed and compared to exact diagonalization and numerical matrix multiplication for N ≤ 3 to assess the systematic Trotter factorization error convergence.

The Impact of Fermentation Methods on the Quality and Bacterial Diversity of Dazhu Glutinous Rice Wine.

Dazhu glutinous rice wine is a well-known traditional Chinese rice wine, and many local factories and handicraft workshops use different fermentation methods to produce it. Still, the influence of fermentation processes on glutinous rice wine is unclear. This study aimed to compare the difference between the two fermentation methods in the quality and bacterial composition of Dazhu glutinous rice wine.

The "d-p orbital hybridization"-guided design of novel two-dimensional MOFs with high anchoring and catalytic capacities in Lithium - Sulfur batteries.

The energy system of lithium-sulfur batteries is quite promising, however, lithium-sulfur batteries still suffer from considerable problems, such as the abominable shuttle effect of polysulfides (LiPSs), the low conductivity of the solid-phase products, the slow redox kinetics during charging and discharging, and the volume expansion. Herein, the hybridization pattern between the d-orbitals of various transition metal atoms and the p-orbitals of sulfides is revealed grounded in the theory of density function, which explains the high adsorption strength of two-dimensional metal-organic frameworks (MOFs) with LiPSs and accelerates the screening of high-performance anchoring and catalytic materials. The results elucidate that the coordinated transition metal-organic frameworks (Mo-NH MOF) monolayers increase the capacity of LiPSs to anchor by forming more π-bonds from the hybridization of the S p orbitals and Mo d orbitals.

Complexation of Olive Protein with Soluble Dietary Fibers: A Way to Improve the Functional Properties of Proteins and Efficiently Utilize Olives.

High-value resources beyond oil extraction for the olive industry need to be developed due to increased olive production. Soluble dietary fibers (SDFs) and olive proteins (OPIs) are important components of olives. However, the commercial production process partially damages OPIs' emulsifying and foaming properties.

Counting hours or calories? Metabolic regulatory role of time-restricted eating in adults with overweight and obesity: a systematic review and meta-analysis.

Time-restricted eating (TRE) effectively improves healthspan, including controlling obesity and improving metabolic health. To date, few meta-analyses have been conducted to explore the effects of various protocols of TRE in participants with overweight/obesity. PubMed, Embase and the Cochrane Central Register of Controlled Trials were searched up until October 15, 2022.

Proteins from Legumes, Cereals, and Pseudo-Cereals: Composition, Modification, Bioactivities, and Applications.

This review presents a comprehensive analysis of plant-based proteins from soybeans, pulses, cereals, and pseudo-cereals by examining their structural properties, modification techniques, bioactivities, and applicability in food systems. It addresses the critical need for a proper utilization strategy of proteins from various plant sources amidst the rising environmental footprint of animal protein production. The inherent composition diversity among plant proteins, their nutritional profiles, digestibility, environmental impacts, and consumer acceptance are compared.

Unveiling the synthesis of aromatic compounds in sauce-flavor Daqu from the functional microorganisms to enzymes.

Aromatic compounds serve as the primary source of floral and fruity aromas in sauce-flavor (Maotai flavor) baijiu, constituting the skeleton components of its flavor profile. Nevertheless, the formation mechanism of these compounds and key aroma-producing enzymes in sauce-flavor Daqu (fermentation agent, SFD) remain elusive. Here, we combined metagenomics, metaproteomics, metabolomics, and key enzyme activity to verify the biosynthesis pathway of aromatic compounds and to identify key enzymes, genes, and characteristic microorganisms in SFD.

Effects of pickle brine and glycine addition on biogenic amine production in pickle fermentation.

This study investigated the effects of different pickle brines and glycine additions on biogenic amine formation in pickle fermentation. The results showed that the brines with higher biogenic amine content led to the production of more biogenic amines in the simulated pickle fermentation system. This was related to the abundance of biogenic amine-producing microorganisms in the microbial communities of the brines.

Preliminary study of the homeostatic regulation of osseointegration by nanotube topology.

The ideal implant surface plays a substantial role in maintaining bone homeostasis by simultaneously promoting osteoblast differentiation and limiting overactive osteoclast activity to a certain extent, which leads to satisfactory dynamic osseointegration. However, the rational search for implant materials with an ideal surface structure is challenging and a hot research topic in the field of tissue engineering. In this study, we constructed titanium dioxide titanium nanotubes (TNTs) by anodic oxidation and found that this structure significantly promoted osteoblast differentiation and inhibited osteoclast formation and function while simultaneously inhibiting the total protein levels of proline-rich tyrosine kinase 2 (PYK2) and focal adhesion kinase (FAK).

Fast and high-precision tracking technology for image-based closed-loop cascaded control system with a Risley prism and fast steering mirror.

The Risley prism's compact structure, dynamic responsiveness, and high tracking accuracy make it ideal for photoelectric image tracking. To realize fast and high-precision tracking of the target, we propose an image-based closed-loop tracking cascade control (IBCLTCR-F) system using a single image detector that integrates the Risley prism and fast steering mirror (FSM). Firstly, We propose a cascade control input-decoupling method (CCIDM) for the IBCLTCR-F system to solve the complex problem of coarse-fine control input decoupling in traditional single detector cascaded control systems.

Identification of HIST1H2BH as the hub gene associated with multiple myeloma using integrated bioinformatics analysis.

Objectives: Identifying the specific biomarkers and molecular signatures of MM might provide novel evidence for MM prognosis and targeted therapy.

Methods: Bioinformatic analyses were performed through GEO and TCGA datasets. The differential expression of HIST1H2BH in MM sample was validated by the qRT-PCR.

Exploring the regulated effects of solid-state fortified Jiuqu and liquid-state fortified agent on Chinese Baijiu brewing.

Zaopei is the direct source of Chinese liquor (Baijiu). Adding functional strains to Zaopei is a potential strategy to regulate Baijiu brewing, mainly including the two ways of solid-state fortified Jiuqu (SFJ) and liquid-state fortified agent (LFA). Here, to explore their regulated details, the response patterns of Zaopei microecosystem and the changes in the product features were comprehensively investigated.

The Effect of Co-Culture with Different and on Volatile Compound and Characteristic Fingerprints of Mulberry Wine.

In this study, changes in volatile compounds co-fermented by different with were analyzed using GC-IMS and compared with fermentation, to investigate the production of aroma in mulberry wine during the fermentation process. A total of 61 compounds were accurately identified, including 21 esters, 10 alcohols, 8 aldehydes, 6 ketones, and 19 other volatiles. Compared with the single strain fermentation (), the content of 2-methylpropyl acetate, allyl Isothiocyanate, ethyl crotonate, isobutyl propanoate, and butyl 2-methylbutanoate, co-fermentation groups ( with different ) showed a significant decrease.

How does ultrasound-assisted ionic liquid treatment affect protein? A comprehensive review of their potential mechanisms, safety evaluation, and physicochemical and functional properties.

Proteins are essential to human health with enormous food applications. Despite their advantages, plant and animal proteins often exhibit limited molecular flexibility and poor solubility due to hydrogen bonds, hydrophobic interactions, and ionic interactions within their molecular structures. Thus, there is an urgent need to modify the rigid structure of proteins to enhance their stability and functional properties.

Texture characterization and classification of polarized images based on multi-angle orthogonal difference.

The Local Binary Pattern (LBP) and its variants are capable of extracting image texture and have been successfully applied to classification. However, LBP has not been used to extract and describe the texture of polarized images, and simple LBP cannot characterize the polarized texture information from different polarizations of angles. In order to solve these problems, we propose a new multi-angle orthogonal difference polarization image texture descriptor (MODP_ITD) by analyzing the relationship between the difference of orthogonal difference polarization images from different angles and the pixel intensity distribution in the local neighborhood of images from different angles.

Instructive Synergistic Effect of Coordinating Phosphorus in Transition-Metal-Doped β-Phosphorus Carbide Guiding the Design of High-Performance CORR Electrocatalysts.

Developing efficient electrocatalysts for the CO reduction reaction (CORR) is the key and difficult point to alleviate energy and climate issues. The synergistic catalytic effects between metal and nonmetal elements have gained attention for the design of the CORR electrocatalysts. The realization of this effect requires a suitable combination of metal and nonmetal elements, as well as the support of suitable substrates.

Immuno-modulation of tumor and tumor draining lymph nodes through enhanced immunogenic chemotherapy by nano-complexed hyaluronic acid/polyvinyl alcohol microneedle.

Certain chemo-drugs could induce immunogenic cell death (ICD) activating T cell antitumor immunity while trigger indoleamine-2,3-dioxygenase (IDO) upregulation suppressing immune responses. Moreover, to achieve therapeutic efficacies on both primary tumors and tumor draining lymph nodes (TDLNs) in the meantime is still a big challenge. In this study, transfersomes functionalized with a tumor targeting, cell penetrating peptide tLyp1 (CGNKRTR) was developed to co-encapsulate doxorubicin (DOX, ICD inducer) and 1MT (IDO inhibitor).

Efficacy and toxicity of drugs targeting KRAS mutation in non-small cell lung cancer: a meta-analysis.

Objective: To systematically analyze the efficacy and toxicity of drugs targeting KRAS mutation in non-small cell lung cancer (NSCLC).

Methods: The candidate studies were identified in PubMed, Embase, Cochrane Library, CNKI, and Wanfang databases up to 1 June 2023. Data on efficacy, prognosis, and adverse events (AEs) were extracted and calculated by meta-analysis.

EpiMCI: Predicting Multi-Way Chromatin Interactions from Epigenomic Signals.

The recently emerging high-throughput Pore-C (HiPore-C) can identify whole-genome high-order chromatin multi-way interactions with an ultra-high output, contributing to deciphering three-dimensional (3D) genome organization. However, it also brings new challenges to relevant data analysis. To alleviate this problem, we proposed the EpiMCI, a model for multi-way chromatin interaction prediction based on a hypergraph neural network with epigenomic signals as the input.

Engineered Consortia Function in a Programmable Pattern for Multiple Enzymatic Biosynthesis.

Coordinating microbial consortia to realize complex synthetic pathways is an area of great interest in the rapidly growing field of biomanufacturing. This work presents a programmable method for assembling living cells based on the surface display of affinity groups, enabling whole-cell catalysis with optimized catalytic efficiency through the rational arrangement of cell assemblies and enzymes. In the context of d-phenyllactic acid (d-PLA) synthesis, four enzymes were rationally arranged considering substrate channeling and protein expression levels.

Transition metals anchored on two-dimensional p-BN support with center-coordination scaling relationship descriptor for spontaneous visible-light-driven photocatalytic nitrogen reduction.

Solar energy has the potential to revolutionize the production of ammonia, as it could provide a reliable and uninterrupted source of energy for the chemical reaction involved. However, improving the catalytic performance of catalysts often leads to a reduction in their band gaps, which results in insufficient photogenerated electron potential to realize the nitrogen reduction reaction (NRR), and thus the development of NRR efficient photocatalysts remains a great challenge. Herein, based on the density functional theory (DFT), a series of single-atom photocatalysts with transition metals (TMs) doped on porous boron nitride (p-BN) nanosheet are proposed for NRR.

The active synergetic microbiota with Aspergillus as the core dominates the metabolic network of ester synthesis in medium-high temperature Daqu.

The active ester-synthesis microorganisms in medium-high temperature Daqu (MHT-Daqu) largely impact the strong-flavor Baijiu quality, while their actual composition and metabolic mechanism remain unclear. Here, to explore how the active microbiota contributes to MHT-Daqu ester biosynthesis, metatranscriptomic and metaproteomic analyses coupled with experimental verification were performed. The results showed that the MHT-Daqu microbiota with the higher ester-forming ability exhibited a more active dynamic alteration from transcription to translation.