bluuebunny/crossref_metadata_2025_split huggingface dataset:
Age‐related cognitive decline is accelerated in alcohol use disorder
Authors: Kurihara Kazuhiro , Shiroma Ayano , Koda Munenaga , Shinzato Hotaka , Takaesu Yoshikazu , Kondo Tsuyoshi 
Published: November 2023

AbstractThis study aimed to examine potential cognitive impairments in patients with alcohol use disorder (AUD), and explore the factors affecting them. We recruited 97 inpatients with AUD, showing superficially normal cognitive function (mini‐mental state examination score ≥24) for this study. We assessed cognitive function after a 4‐week post‐abstinence period using the Brief Assessment of Cognition in Schizophrenia‐Japanese version (BACS‐J). Relationships between BACS‐J subcategory/composite raw scores and Z‐scores (deviation from standard data in healthy Japanese) and background factors such as age, sex, education, smoking status, mini‐mental state examination score, body mass index, systolic blood pressure, severity of depression, alcohol consumption, and laboratory findings were analyzed. Multiple regression analysis showed that the age (p < 0.001) and total bilirubin level (p = 0.014) were worsening factors for the BACS‐J composite raw score, whereas education (p < 0.001) was a protective factor. An inverse correlation was apparent between the age and the composite Z‐score of the BACS‐J (r = −0.431, p < 0.001). Receiver operating characteristic (ROC) analysis identified 53 years as the cutoff age for predicting more than −2SD cognitive decline from the normal standard, with a high negative predictive value (95%). Patients with AUD aged ≥53 years showed more pronounced impairments in verbal memory, working memory, verbal fluency, and attention than those younger than 53 years (p < 0.05). These findings clearly demonstrate accelerated age‐related cognitive decline in patients with AUD, especially those aged ≥53 years, suggesting the necessity of early intervention in patients with AUD to prevent progressive cognitive impairment and preserve their quality of life.
Numerical approximation for hybrid‐dimensional flow and transport in fractured porous media
Authors: Zhao Jijing , Rui Hongxing 
Published: November 2023

AbstractThis article presents the stable miscible displacement problem in fractured porous media, and finite element discretization is constructed for this reduced model. The transmission interface conditions presented in this article enable us to derive a stability result and conduct the case where the pressure and concentration are both discontinuous across the fracture. The error estimates for and norm are established under the assumption of regular solutions. We perform some numerical examples to verify the theoretical analysis. Last, some unsteady physical experiments, more realistic test cases, are presented to prove the validity of the model and method.
Observational and genetic associations of adiposity with cardiopulmonary multimorbidity: Linear and nonlinear Mendelian randomization analysis
Authors: Song Zimin , Wang Wenxiu , Zhao Yimin , Xiao Wendi , Du Jie , Liu Zhonghua , Huang Tao , Tang Yida 
Published: November 2023

AbstractObjectiveWhether adiposity traits are causal risk factors for cardiopulmonary multimorbidity (CP‐MM) remains largely unknown. The aim of this study was to examine the causal role of adiposity traits in the development of CP‐MM.MethodsThis study involved 408,886 participants from the UK Biobank who had complete phenotypic and genetic data. Cox regression and Mendelian randomization (MR) analyses were conducted separately for observational and causal associations.ResultsDuring a median follow‐up of 8.7 years, 1492 incident CP‐MM were ascertained. In observational analysis, individuals with obesity had a hazard ratio (HR) of 1.51 (95% confidence intervals [CI]: 1.30–1.75) for developing CP‐MM, compared with those with normal body mass index (BMI). Restricted cubic spline analyses showed a U‐shaped relationship between continuous BMI and CP‐MM (p < 0.001), whereas WHRadjBMI exhibited a linear relationship (p = 0.828). Joint analysis revealed that maintaining ideal waist–hip ratio (WHR) in adults with overweight is still effective in preventing CP‐MM. In linear MR analysis, 1 kg/m2 increase in genetically predicted BMI and per 1% higher in genetically predicted WHRadjBMI was associated with 9% and 10% higher risk for incident CP‐MM, respectively. Nonlinear MR analyses demonstrated linearity between genetically predicted BMI or WHRadjBMI and CP‐MM.ConclusionsAdiposity may play a causal role in CP‐MM development and represent a promising approach for multimorbidity prevention.
Bullous pemphigoid induced by IgG targeting type XVII collagen non‐NC16A/NC15A extracellular domains is driven by Fc gamma receptor‐ and complement‐mediated effector mechanisms and is ameliorated by neonatal Fc receptor blockade
Authors: Pigors Manuela , Patzelt Sabrina , Reichhelm Niklas , Dworschak Jenny , Khil'chenko Stanislav , Emtenani Shirin , Bieber Katja , Hofrichter Maxi , Kamaguchi Mayumi , Goletz Stephanie , Köhl Gabriele , Köhl Jörg , Komorowski Lars , Probst Christian , Vanderheyden Katrien , Balbino Bianca , Ludwig Ralf J , Verheesen Peter , Schmidt Enno 
Published: November 2023

AbstractBullous pemphigoid (BP) is an autoimmune blistering disease characterized by autoantibodies targeting type XVII collagen (Col17) with the noncollagenous 16A (NC16A) ectodomain representing the immunodominant site. The role of additional extracellular targets of Col17 outside NC16A has not been unequivocally demonstrated. In this study, we showed that Col17 ectodomain‐reactive patient sera depleted in NC16A IgG induced dermal–epidermal separation in a cryosection model indicating the pathogenic potential of anti‐Col17 non‐NC16A extracellular IgG. Moreover, injection of IgG targeting the murine Col17 NC14–1 domains (downstream of NC15A, the murine homologue of human NC16A) into C57BL/6J mice resulted in erythematous skin lesions and erosions. Clinical findings were accompanied by IgG/C3 deposits along the basement membrane and subepidermal blistering with inflammatory infiltrates. Disease development was significantly reduced in either Fc‐gamma receptor (FcγR)‐ or complement‐5a receptor‐1 (C5aR1)‐deficient mice. Inhibition of the neonatal FcR (FcRn), an atypical FcγR regulating IgG homeostasis, with the murine Fc fragment IgG2c‐ABDEG, a derivative of efgartigimod, reduced anti‐NC14–1 IgG levels, resulting in ameliorated skin inflammation compared with isotype‐treated controls. These data demonstrate that the pathogenic effects of IgG targeting the Col17 domain outside human NC16A/murine NC15A are partly attributable to antibody‐mediated FcγR‐ and C5aR1 effector mechanisms while pharmacological inhibition of the FcRn represents a promising treatment for BP. The mouse model of BP will be instrumental in further investigating the role of Col17 non‐NC16A/NC15A extracellular epitopes and validating new therapies for this disease. © 2023 The Authors. The Journal of Pathology published by John Wiley & Sons Ltd on behalf of The Pathological Society of Great Britain and Ireland.
Intrinsic low‐dielectric‐constant polyimides based on a novel diamine having −CF3 groups and kinkable 1,4‐diisopropylbenzene units
Authors: Nagella Sivagangi Reddy , Park Sung Soo , Chitumalla Ramesh Kumar , Jang Joonkyung , Ha Chang‐Sik 
Published: November 2023

AbstractPolyimides (PIs) with low dielectric constants and optical transparency are of great interest in 5G/6G communication applications and in the microelectronics industry, where they are used as interlayer dielectric materials, wearable display devices and so forth. In this study, we designed and synthesized a novel fluorinated diamine called 4,4′‐(1,4‐phenylenebis(propane‐2,2‐diyl))diphenoxybis(2‐(trifluoromethyl)‐4‐aminobenzene) (BPBTAB) monomer from bisphenol‐P having diisopropyl benzene units and fabricated four novel BPBTAB‐X PIs. These PI films possess excellent properties such as a low dielectric constant (1.13–1.84 at 1 MHz), high 5% loss temperature (395–491 °C), moderate glass transition temperature (223–254 °C), good tensile modulus (0.827–1.076 GPa), excellent optical properties (T450 up to 83.37%), low moisture absorption (<0.63%) and good solubility in organic solvents. Hence, the as‐synthesized PI films exhibit excellent comprehensive properties for high‐frequency 5G/6G communication applications. © 2023 Society of Chemical Industry.
Analysis of small EV proteomes reveals unique functional protein networks regulated by VAP‐A
Authors: Barman Bahnisikha , Ramirez Marisol , Dawson Toni Renee , Liu Qi , Weaver Alissa M 
Published: November 2023

AbstractExtracellular vesicles (EVs) influence cell phenotypes and functions via protein, nucleic acid, and lipid cargoes. EVs are heterogeneous, due to diverse biogenesis mechanisms that remain poorly understood. Our previous study revealed that the endoplasmic reticulum (ER) membrane contact site (MCS) linker protein vesicle associated protein associated protein A (VAP‐A) drives biogenesis of a subset of RNA‐enriched EVs. Here, we examine the protein content of VAP‐A‐regulated EVs. Using label‐free proteomics, we identified down‐ and upregulated proteins in small EVs (SEVs) purified from VAP‐A knockdown (KD) colon cancer cells. Gene set enrichment analysis (GSEA) of the data revealed protein classes that are differentially sorted to SEVs dependent on VAP‐A. Search Tool for the Retrieval of Reciprocity Genes (STRING) protein–protein interaction network analysis of the RNA‐binding protein (RBP) gene set identified several RNA functional machineries that are downregulated in VAP‐A KD SEVs, including ribosome, spliceosome, mRNA surveillance, and RNA transport proteins. We also observed downregulation of other functionally interacting protein networks, including cadherin‐binding, unfolded protein binding, and ATP‐dependent proteins.
Simulation‐based mastery learning for intrathecal baclofen pump management in physical medicine and rehabilitation: A pilot study
Authors: Kivlehan Emily , Branch Dana , Reger Christopher , Rojas Ana‐Marie 
Published: November 2023

AbstractBackgroundSimulation‐based mastery learning (SBML) has demonstrated superiority as a procedural learning method. Implementation of SBML in Physical Medicine and Rehabilitation (PM&R) education has not been described and there is a paucity of literature regarding standardized procedural learning in this specialty.ObjectiveTo evaluate if implementation of intrathecal baclofen pump management SBML affects knowledge, attitudes, and skills in PM&R residents.DesignPretest–posttest design.SettingAcademic rehabilitation hospital.ParticipantsTwenty‐two PM&R residents.InterventionsParticipants engaged in SBML steps: pre‐test, demonstration of proper technique, deliberate practice, and a post‐test.Main Outcome MeasuresAbility to achieve minimum passing score, quiz scores, and survey scores. Pre‐ and post‐test results were compared using Wilcoxon signed‐rank tests. Post graduate year (PGY)‐3 and PGY‐4 resident results were compared using Mann–Whitney U tests.ResultsBased on institutional expert consensus, a simulation procedural checklist was created with a minimum passing score set at correctly performing 30 of 31 items. On pre‐test, no learners achieved the minimum passing score (22.5, interquartile range [IQR] 17.0–23.0). Initial post‐test score for all learners was 30 (IQR 29.8–31.0). Six learners required additional attempts to reach mastery as defined by reaching the minimum passing score. Quiz scores significantly improved from 9 to 11 (pre‐test IQR 9–10; post‐test IQR 10–11; p < .05). Confidence in procedure significantly improved (pre‐test 2.7/5.9, IQR 2.2–3.8; post‐test 4.1/5.0, IQR 3.7–4.5; p < .01). Likelihood to perform procedure in future practice did not change (pre‐test 2.2, IQR 1.0–3.8; post‐test 3.0, IQR 1.0–4.0; p = .89).ConclusionSBML is an effective tool to improve multiple domains of learning in PM&R residents.
A structural analysis of the nsp9 protein from the coronavirus MERS CoV reveals a conserved RNA binding interface
Authors: Mani Gayathri , El‐Kamand Serene , Wang Bing , Baker David L. , Ataide Sandro F. , Artsimovitch Irina , Cubeddu Liza , Gamsjaeger Roland 
Published: November 2023

AbstractMiddle East respiratory syndrome coronavirus (MERS CoV) and severe acute respiratory syndrome coronavirus 2 (SARS CoV‐2) are RNA viruses from the Betacoronavirus family that cause serious respiratory illness in humans. One of the conserved non‐structural proteins encoded for by the coronavirus family is non‐structural protein 9 (nsp9). Nsp9 plays an important role in the RNA capping process of the viral genome, where it is covalently linked to viral RNA (known as RNAylation) by the conserved viral polymerase, nsp12. Nsp9 also directly binds to RNA; we have recently revealed a distinct RNA recognition interface in the SARS CoV‐2 nsp9 by using a combination of nuclear magnetic resonance spectroscopy and biolayer interferometry. In this study, we have utilized a similar methodology to determine a structural model of RNA binding of the related MERS CoV. Based on these data, we uncover important similarities and differences to SARS CoV‐2 nsp9 and other coronavirus nsp9 proteins. Our findings that replacing key RNA binding residues in MERS CoV nsp9 affects RNAylation efficiency indicate that recognition of RNA may play a role in the capping process of the virus.
Nutraceutical formulation for immune system modulation: Active constituents, in vitro antibacterial and immunomodulatory activity, and metabolomics analysis
Authors: Faggian Marta , Bernabè Giulia , Pauletto Anthony , Loschi Francesca , Tezze Caterina , Merlo Roberto , Merlo Lucio , Sut Stefania , Ferrarese Irene , Brun Paola , Castagliuolo Ignazio , Peron Gregorio , Dall'Acqua Stefano 
Published: November 2023

AbstractThere is a large demand for nutraceuticals in the market and studies related to their action are needed. In this paper, the antimicrobial activity and the immunomodulatory effect of a nutraceutical formulation containing 14.39% of ascorbic acid, 7.17% of coenzyme Q10, 1.33% of Echinacea polyphenols, 0.99% of pine flavan‐3‐ols, 0.69% of resveratrol and 0.023% of Echinacea alkylamides were studied using in vitro assays and cell‐based metabolomics. Chromatographic analysis allowed us to study the nutraceutical composition. The antibacterial activity was evaluated on S. aureus, K. pneumoniae, P. aeruginosa, E. coli, H. influenzae, S. pyogenes, S. pneumoniae and M. catarrhalis. The immunomodulatory activity was assessed on human macrophages and dendritic cells. The production of IL‐1β, IL‐12p70, IL‐10 and IL‐8 was evaluated on culture medium by ELISA and the activation/maturation of dendritic cells with cytofluorimetric analysis. Treated and untreated macrophages and dendritic cell lysates were analysed by liquid chromatography coupled with high‐resolution mass spectrometry, and results were compared using multivariate data analysis to identify biological markers related to the treatment with the food supplement. The food supplement decreased K. pneumoniae, P. aeruginosa, E. coli, Methicillin‐resistant Staphylococcus aureus (MRSA) and M. catharralis growth, reduced the inflammatory response in macrophages exposed to lipopolysaccharide (LPS) and modulated the activation and maturation of the dendritic cells. Oxidized phospholipids were identified as the main biological markers of treated cell lysates, compared with controls.
Simple scaling of the empirical London dispersion corrections in DFT geometry optimizations of prototypical nonlinear optical crystals
Authors: Mairesse François , Champagne Benoît 
Published: November 2023

AbstractThe quantum treatment of electrons at the Kohn‐Sham Density Functional Theory (DFT) level of approximation is used in order to optimize the structure of four organic and organo‐metallic crystalline systems, starting from experimentally determined structures, allowing subsequent quantum‐level theoretical analysis, the accent here being put on crystals having nonlinear optical (NLO) properties. By employing DFT, one must select an exchange‐correlation functional (XCF), that is, a mathematical description of the electron interactions. Among most of the XCFs, a well‐known general discrepancy is the lack of London‐type interactions description. One of the most popular correction schemes consists of adding a posteriori the contribution of these interactions by using empirical expressions. Here, the approach relies on the simple D* scheme, a variation of the D2 correction originally elaborated by Grimme for molecular clusters, where the D2 correction is scaled to account for the interactions in the crystal solid state. The performance of this simple D* scheme is demonstrated and the most suitable scaling factors for four prototypical organic and organo‐metallic NLO crystals are determined for four representative XCFs: zero (no correction) for PBESol, PBESol0, and B97X, and 0.7 for B3LYP.
Surface‐Modified ZnCo2O4 Nanoparticles as Binder‐Free Electrode for All Solid‐State Asymmetric Supercapacitor
Authors: Sekhar Tripathi Himadri , Chatterjee Piyali , Singha Achintya , Chakraborty Amit K. 
Published: November 2023

AbstractChoice of electrode material is crucial to the development of high‐performance supercapacitors. Since surface properties are key to the performance of an electrode material for supercapacitors, surface chemical treatment of electrode materials is an interesting topic of research. ZnCo2O4 (ZCO) is a low‐cost binary transition metal oxide with high theoretical conductivity and charge storage capacity making it a good choice for supercapacitor electrode. Herein, we present a systematic investigation of the influence of four different surface modifier (3 surfactants, 1 mineralizer) on ZCO electrode directly grown on Ni foam to compare the relative influence on the performance of the modified ZCO electrode. Analyses of the modified ZCO electrodes revealed the formation of cubic spinel phase of ZCO with average particle size of ~30 nm. The sodium dodecyl sulfate (ZCO−S) modified electrode (ZCO−S) exhibited the best electrochemical performance with specific capacitance of 1988 F/g at 1 A/g and 87 % capacity retention after 7000 cycles at 10 A/g. Further, an all‐solid‐state asymmetric supercapacitor (ASC) was fabricated with ZCO−S on Ni foam and carbon nanotube combination which exhibited specific capacitance of 102 F/g at 1 A/g corresponding to power density of ~1599 W‐kg−1 establishing ZCO−S as a very good electrode material for supercapacitor.
Synthesis, Characterization, Hirshfeld Surface Analysis, DFT Study and Molecular Docking of 1,3‐Bis(4‐chlorophenyl)‐ 5‐(4‐chlorobenzyl)‐1,3,5‐triazinane
Authors: Lamraoui Hanane , Zegheb Nadjiba , Benmekhbi Lotfi , Khadri Amina , Ababsa Saida , Lamraoui Imane , Lamraoui Messaouda , Aissani Linda , Bouchemma Ahcen 
Published: November 2023

AbstractA new compound, 1,3‐bis(4‐chlorophenyl)‐5‐(4‐chlorobenzyl)‐1,3,5‐triazinane, C22H20Cl3N3 (I), was synthesized, and its structure was determined by X‐ray diffraction, along with various spectroscopic methods, UV‐VIS, FT‐IR, NMR 1H and 13C. The crystal belongs to the monoclinic system with a=7.1503 (5) Å; b=12.9506(10) Å; c=21.9709 (16) Å; β=96.637(2)° and space group P21/c. Hirshfeld surface analysis and two‐dimensional fingerprint plots were used to quantify the interatomic interactions present in the crystal. The molecular structure of (I) was determined by DFT calculations using the BP86‐D functional and a TZP basis set. The geometry optimizations and vibrational frequencies were calculated, and Natural atomic orbital charges were investigated using NBO 6.0 program.
Importance of the Amino Moiety of the Hydrazone Group in the Electrochemical and UV‐Vis Absorption Properties of Simple Isomeric Hydrazones
Authors: Castaño Jorge A. , Galindo Betancourth Jolaine , Chaur Manuel N. 
Published: November 2023

AbstractThe development of new useful supramolecular systems, as well as the optimization of existing ones, depends on the understanding of the intrinsic properties of each of the components that constitute them. A representative component of supramolecular systems are hydrazones, which can undergo three different, orthogonal dynamic processes (conformational, constitutional, and configurational) thanks to the leading role played by the amino‐like moiety of their hydrazone groups. Herein, we study the electrochemical and UV‐Vis absorption properties of two structurally related pyridylhydrazones in different solvents and analyze them in terms of the chemical environment of the corresponding hydrazone group. In this way, we establish that both the electrochemical and UV‐Vis absorption properties are mainly dominated by the additional polarization of the N−H bond, i. e., by the electron density around the nitrogen atom.
β‐Cyclodextrin‐Modified Cobalt Nanoparticles as 5‐Fluorouracil Carriers
Authors: Akash Bose Allben , Kanagaraj Suganya , Sundaravadivelu Sumathi , Varalakshmi Govindaraj Sri , Manikantan Varnitha , Pillai Archana Sumohan , Alexander Aleyamma , Enoch Israel V. M. V. 
Published: November 2023

AbstractMetal nanoparticles having magnetic properties are exciting for application in the directed transport of anticancer drugs encapsulated in them. To ensure drug‐loading capacity and controlled release, surface modification with host molecules is a fascinating choice. In this paper, we report the synthesis and surface modification of magnetic cobalt metal nanoparticles with oligosaccharide host molecules (β‐cyclodextrin) tethered on the surface. A β‐cyclodextrin‐folate derivative is synthesized and characterized using Infrared‐, Nuclear Magnetic Resonance‐, and Matrix‐Assisted Laser Deposition Ionization‐Time of Flight mass spectrometry. The size of the cobalt nanoparticles carrying the host molecule on the surface is ~10 nm. The nanoparticles are characterized using X‐Ray Diffraction, Transmission Electron Microscopy, particle size analyzer, Energy‐Dispersive X‐ray, and X‐ray Photoelectron Spectroscopy. The bare magnetic nanoparticles also show a strong saturation magnetization of 142.21 emu g−1. The chemotherapeutic drug 5‐fluorouracil is loaded on the surface‐modified cobalt nanoparticles through host: guest complexation mode and its controlled release is measured in‐vitro. The slow release is spread over more than 14 days, and a complete release of the loaded therapeutic cargo is not reached. The release is pH‐dependent and changes with acidic levels of the medium. The anticancer activity of the drug‐loaded nanocarrier on MDA‐MB‐231 (breast cancer) cells is investigated. The mechanism of cell death is studied, and the cells are found inhibited in the synthesis phase. Flow cytometric analysis shows that 79.70 % of the empty nanocarrier‐treated and 74.86 % 5‐fluorouracil‐loaded nanocarrier‐treated MDA‐MB‐231 cells were in the early apoptosis phase. This new combination nanocarrier is intriguing owing to its structural and magnetic properties, and the action on cell lines.
Rapid Scale‐up Room‐temperature Synthesis of Cu‐BTC and Its Adsorption Properties for Light Hydrocarbons
Authors: Li Ying , Li Jianzhe , Zhang Hongxing , Yin Shumeng , Wang Shiqiang , Tao Bin 
Published: November 2023

AbstractLight hydrocarbon (C2~C3) adsorption treatment in order to achieve exhaust emission standards of volatile organic compounds (VOCs) is very important and urgent in oil refining and oil storage enterprises. As an important adsorbent, metal‐organic frameworks (MOFs) with large specific surface area and good designability show excellent adsorption properties for light hydrocarbon. In this paper, by replacing the nitrate commonly used in the synthesis of MOFs with alkali metal, and adding a certain proportion of competing carboxylic acid into the reaction system, Cu‐BTC with improved pore structure and adsorption performance of light hydrocarbon was prepared at room temperature. More impressively, 10 L and 100 L scale‐up synthesis of Cu‐BTC were carried out by this method, which remained high light hydrocarbon adsorption capacities, showing great application prospect in the field of VOCs treatment.