GRAPE-WEB: An automated computational redesign web server for improving protein thermostability.

We have developed the GReedy Accumulated strategy for Protein Engineering (GRAPE) to improve enzyme stability across various applications, combining advanced computational methods with a unique clustering and greedy accumulation approach to efficiently explore epistatic effects with minimal experimental effort. To make this strategy accessible to nonexperts, we introduced GRAPE-WEB, an automated, user-friendly web server that allows the design, inspection, and combination of stabilizing mutations without requiring extensive bioinformatics knowledge. GRAPE-WEB's robust performance and accessibility provide a comprehensive and adaptable approach to protein thermostability design, suitable for both newcomers and experienced practitioners in the field.

Separation and characterization of sweet compounds in Baijiu by molecular distillation combined with molecular sensory science.

Sweetness is a crucial taste component in Baijiu. However, comprehensive research on the sweetness of Baijiu remains limited, and traditional methods for flavor analysis are not well-suited for identifying the sweet compounds. To address this, a multi-stage molecular distillation method, combined with molecular sensory science, was developed to more effectively and scientifically analyze the key sweet compounds in Baijiu.

The regulatory mechanism of mannan from millet Huangjiu on flavor release.

Huangjiu, the national wine of China, has the characteristics of low grain consumption, low alcohol content and high nutrition, which aligns with the world's beverage wine consumption trend. The research on glutinous rice huangjiu from southern China is more extensive, while millet huangjiu from northern China has received less attention, hindering the diversified development of huangjiu. Polysaccharides play an important role in huangjiu's health activity and flavor characteristics.

Preparation and characterization of Baijiu Jiuzao cellulose nanofibers-kafirin composite bio-film with excellent physical properties.

Jiuzao is the main solid by-products of Baijiu industry, which contain a high amount of underutilized cellulose and proteins. In recent years, cellulose nanofibers mixed with proteins to prepare biodegradable bio-based film materials have received widespread attention. In this study, we propose a novel method to simultaneously extract kafirin and cellulose from strong-flavor type of Jiuzao, and modify cellulose to prepare cellulose nanofibers by the TEMPO (2,2,6,6-tetramethylpiperidine-1-oxide) oxidation-pressure homogenization technique, and finally mix kafirin with cellulose nanofibers to prepare a new biodegradable bio-based composite film.

Influences of thioalcohols on the release of aromas in sesame-flavor baijiu.

This study investigated the interactions between 2-furylmethanethiol, benzenemethanethiol, and 18 skeletal aroma-active compounds as well as four aroma notes in sesame-flavor baijiu based on the Feller Additive Model, the Odor Activity Value (OAV) Approach, and the Sigma-Tau (σ-τ) plots. In addition, a predictive model for the interactions between 2-furylmethanethiol and esters was developed, and the determinants of the interaction results in complex systems were explored. The results reveal that both thioalcohols interacted with the skeletal aroma-active compounds in a similar trend, where 2-furylmethanethiol tends to enhance the release of fruit and acid aroma.

Comprehensive analysis of risk factors (methanol, acetaldehyde and higher alcohols) in alcoholic beverages and their reduction strategies: GC-MS analysis and modified activated carbon adsorption and characterization.

This study endeavors to examine the levels of risk factors in alcoholic beverages and propose mitigation strategies. GC-MS analysis was utilized to assess risk factors in various distilled-spirits. The content of such risk factors in spirits ranked as follows: vodka ≈ gin < baijiu < whiskey < brandy, and all were adhering to the Chinese national standard.

Flavor Perception and Formation Mechanism of Empty Cup Aroma in Soy Sauce Aroma Type Baijiu.

The research focused on the distinctive empty cup aroma, with the aim of identifying the key aroma compounds and the formation mechanism of empty cup aroma in soy sauce aroma type baijiu (SSB). The lasting times of SSB is significantly longer than that of other types of baijiu, with an average duration of 28 days. Key compounds such as 2,3-dimethyl-5-ethylpyrazine, phenylethyl alcohol, -cresol, sotolon, benzeneacetic acid were identified in empty cup aroma due to their highest flavor dilution factor.

From Traditional to Intelligent, A Review of Application and Progress of Sensory Analysis in Alcoholic Beverage Industry.

Sensory analysis is an interdisciplinary field that combines multiple disciplines to analyze food qualitatively and quantitatively. At present, this analysis method has been widely used in product development, quality control, marketing, flavor analysis, safety supervision and inspection of alcoholic beverages. Due to the changing needs of analysis, new and more optimized methods are still emerging.

Role of recombinant human granulocyte colony-stimulating factor in development of cancer-associated venous thromboembolism in lung cancer patients who undergo chemotherapy.

Background: The role of recombinant human granulocyte colony-stimulating factor (rhG-CSF), especially the long-acting factor in the development of cancer-associated venous thromboembolism (VTE) in lung cancer patients who undergo chemotherapy has been understudied, although the use of rhG-CSF has been reported to be associated with an increased risk of VTE.

Methods: We retrospectively reviewed 1,673 lung cancer patients who underwent hospitalized chemotherapy. We performed propensity score matching to offset confounding factors related to cancer-associated VTE development and classified the patients into short-acting (N = 273), long-acting (N = 273), and no rhG-CSF (N = 273) groups.

Peanut Pairing Baijiu: To Enhance Retronasal Aroma Intensity while Reducing Baijiu Aftertaste.

Liquor-pairing food is a common dietary combination. Baijiu and peanuts are unquestionably a classic pairing in China. But no one has explained why.

SENP1 regulates intermittent hypoxia-induced microglia mediated inflammation and cognitive dysfunction via wnt/β-catenin pathway.

Obstructive sleep apnea syndrome (OSAS), characterized by repeated narrow or collapse of the upper airway during sleep, resulting in periodic reductions or cessations in ventilation, consequent hypoxia, hypercapnia, increased sympathetic activity and sleep fragmentation, places a serious burden on society and health care. Intermittent hypoxia (IH), which cause central nervous system (CNS) inflammation, and ultimately lead to neuropathy, is thought to be a crucial contributor to cognitive impairment in OSAS. Wnt signaling pathway exerts an important role in the regulation of CNS disorders.

Optimisation and characterisation of KOH-activated carbon obtained from Baijiu spent grains for the mitigation of risk factors in alcoholic beverages.

This study aims to repurpose waste grain from the Baijiu brewing process into activated carbon for mitigating risk factors in alcoholic beverages, enhancing quality and ensuring safety. For attaining the most effective activated carbon, tailored carbon synthesis conditions were identified for diverse alcoholic beverages, optimising strategies. For beverages with low flavour compound content, optimal conditions include 900 °C calcination, 16-hour activation and a 1:2 activation ratio.

Extraction, Identification, and In Vitro Anti-Inflammatory Activity of Feruloylated Oligosaccharides from Baijiu Distillers' Grains.

The structure and function of phenoyl oligosaccharides in baijiu distillers' grains (BDGs) have not been identified and investigated yet. This study aimed to elucidate the major phenolic oligosaccharides present in BDGs, optimize their extraction process via a central composite design, and assess their anti-inflammatory properties utilizing the LPS-induced RAW264.7 inflammation model.

Investigation of interactions between Jiuzao glutelin with resveratrol, quercetin, curcumin, and azelaic and potential improvement on physicochemical properties and antioxidant activities.

The interactions among small molecular functional components (FCTs) within a food matrix have become a focal point for enhancing their stability and bioactivities. Jiuzao glutelin (JG) is a mixed plant protein within Jiuzao (a protein-rich baijiu distillation by-product). This study aimed to explore the interactions between JG and selected FCTs, including resveratrol (RES), quercetin (QUE), curcumin (CUR), and azelaic acid (AZA), and the consequential impact on stability and antioxidant activity of the complexes.

Based on metabolomics, chemometrics, and modern separation omics: Identifying key in-pathway and out-pathway points for pesticide residues during solid-state fermentation of baijiu.

By collecting real samples throughout the entire production process and employing chemometrics, metabolomics, and modern separation omic techniques, it unveiled the patterns of pesticide transfer during solid-state fermentation. The results indicated that 12 types of pesticide residues were prevalent during baijiu production, with organochlorine and carbamate pesticides being the most abundant in raw materials. After fermentation, organochlorine pesticides and pyrethroid pesticides exhibited higher content, while carbamate pesticides dominated in the final product.

Construction of resveratrol and quercetin nanoparticles based on folic acid targeted Maillard products between Jiuzao glutelin isolate and carboxymethyl chitosan: Improved stability and function.

Advanced targeted nanoparticles (NPs) were designed to enhance the targeted delivery of resveratrol (RES) and quercetin (QUE) by utilizing carboxymethyl chitosan (CTS) and Jiuzao glutelin isolate (JGI) conjugates. Briefly, RES and QUE were encapsuled within CTS-JGI-2 (CTS/JGI, m/m, 2:1). The carrier's targeting properties were further improved through the incorporation of folic acid (FA) and polyethylenimine (PEI).

International Normalized Ratio Predicts Recurrence and Bleeding in Patients With Acute Venous Thromboembolism Who Undergo Direct Oral Anticoagulants.

Prothrombin time/international normalized ratio (PT/INR) is related to both antithrombotic effect and risk of bleeding. Its role in the prediction of venous thromboembolism (VTE) recurrence and bleeding for patients with acute VTE who undergo direct oral anticoagulants (DOACs) treatment is unclear, despite previous studies revealed some association between them. The predictive efficiency of INR for VTE recurrence and bleeding were analyzed in a retrospective cohort with VTE patients who underwent DOACs treatment.

[Structure motif guided mining of MHET hydrolase and development of a two-enzyme cascade for plastics depolymerization at mild temperature].

The utilization of polyethylene terephthalate (PET) has caused significant and prolonged ecological repercussions. Enzymatic degradation is an environmentally friendly approach to addressing PET contamination. Hydrolysis of mono(2-hydroxyethyl) terephthalate (MHET), a competitively inhibited intermediate in PET degradation, is catalyzed by MHET degrading enzymes.

Computational Enzyme Redesign Enhances Tolerance to Denaturants for Peptide C-Terminal Amidation.

The escalating demand for biocatalysts in pharmaceutical and biochemical applications underscores the critical imperative to enhance enzyme activity and durability under high denaturant concentrations. Nevertheless, the development of a practical computational redesign protocol for improving enzyme tolerance to denaturants is challenging due to the limitations of relying solely on model-driven approaches to adequately capture denaturant-enzyme interactions. In this study, we introduce an enzyme redesign strategy termed GRAPE_DA, which integrates multiple data-driven and model-driven computational methods to mitigate the sampling biases inherent in a single approach and comprehensively predict beneficial mutations on both the protein surface and backbone.

Current situation, trend, and prospects of research on functional components from by-products of baijiu production: A review.

In the present scenario marked by energy source shortages and escalating concerns regarding carbon dioxide emissions, there is a growing emphasis on the optimal utilization of biomass resources. Baijiu, as the Chinese national spirit, boasts remarkably high sales volumes annually. However, the production of baijiu yields various by-products, including solid residues (Jiuzao), liquid wastewater (Huangshui and waste alcohol), and gaseous waste.