bluuebunny/crossref_metadata_2025_split huggingface dataset:
Regioselective Ring Opening of Epoxide with Alcohols: A Selective Route to α‐Alkylated Ketones and β‐Alkylated Secondary Alcohols
Authors: Nandi Srabani , Borthakur Ishani , Mandal Adarsha , Kundu Sabuj 
Published: April 2024

AbstractHerein, we demonstrated an effective protocol for the regioselective ring opening of epoxides with alcohols. By following this strategy, both α‐alkylated ketones and β‐alkylated secondary alcohols were selectively obtained by changing the reaction parameters. Compared to the previously reported protocols, this methodology was operated using considerably lower base at lower temperature. Notably, a wide array of substrates with tolerance of different functional groups was demonstrated. A series of control experiments and deuterium‐labelling experiments were performed to understand this catalytic process.
Predictive value of total cholesterol to high‐density lipoprotein cholesterol ratio for chronic kidney disease among adult male and female in Northwest China
Authors: Liu Yanli , Lyu Kang , Liu Shaodong , You Jinlong , Wang Xue , Wang Minzhen , Zhang Desheng , Bai Yana , Yin Chun , Jiang Min , Zheng Shan 
Published: April 2024

AbstractBackgroundStudies have found that the ratio of total cholesterol to high‐density lipoprotein cholesterol (TC/HDL‐C) was associated with the development of chronic kidney disease (CKD). However, the relationship in different genders was rarely discussed. The aim of this study was to explore this relationship and assess its predictive power for both males and females.MethodsBased on a prospective cohort platform in northwest China, 32,351 participants without CKD were collected in the baseline and followed up for approximately 5 years. Cox proportional hazard model and restricted cubic spline regression analysis were performed to investigate the association between TC, HDL‐C, TC/HDL‐C and CKD in adult female and male. The clinical application value of the indicators in predicting CKD was evaluated by the receiver operator characteristic curve.ResultsDuring a mean follow‐up of 2.2 years, 484 males and 164 females developed CKD. After adjusted for relevant confounders, for every one standard deviation increase in TC, HDL‐C and TC/HDL‐C, the hazard ratios (HRs) and 95% confidence intervals (95% CIs) for CKD were 1.17 (1.05–1.31), 0.84 (0.71–0.99), and 1.15 (1.06–1.25) for males, 0.94 (0.78–1.13), 0.58 (0.35–0.95), and 1.19 (1.01–1.40) for females, respectively. The results also showed that TC, HDL‐C, and TC/HDL‐C were associated with CKD in a linear dose–response relationship. The TC/HDL‐C had the largest area under the curve (AUC) compared to TC and HDL‐C, and the AUC among the females was larger than that among males.ConclusionsThe TC/HDL‐C was significantly associated with CKD in adult males and females and has better clinical value in predicting CKD than TC and HDL‐C, especially in females.
Steric Effects on Single‐Molecule Conductance in Flat‐Lying Phenanthrene
Authors: Batzinger Kevin , Zhou Qinghai , Ye Xiang , Borguet Eric , Xiao Shengxiong , Smeu Manuel 
Published: April 2024

AbstractA previous combined experimental and theoretical study found that the position of anchoring groups on a phenanthrene (PHE) backbone played a large role in determining the single‐molecule conductance of the PHE derivative. However, a consistent 0.1 G0 feature was found across all PHE derivatives. To understand this, the previously investigated PHE derivatives were placed flat on a simulated Au substrate with a scanning tunneling microscope (STM) tip over PHE and conductance was calculated using the non‐equilibrium Green's function technique in conjunction with density functional theory (NEGF‐DFT). The location of the tip was varied to find the most conductive and most energetically favorable arrangements, which did not coincide. Furthermore, the variation in conductance found in erect junctions was not present when PHE derivatives were lying flat, with all derivatives calculated to have conductance values around 0.1 G0.
Enantioselective Synthesis of α‐Quaternary Isochromanes by Oxidative Aminocatalysis and Gold Catalysis
Authors: Waser Philipp , Faghtmann Jonas , Gil‐Ordóñez Marta , Kristensen Anne , Svenningsen Esben B. , Poulsen Thomas B. , Jørgensen Karl Anker 
Published: April 2024

AbstractA novel strategy that combines oxidative aminocatalysis and gold catalysis allows the preparation of chiral α‐quaternary isochromanes, a motif that is prevalent in natural products and synthetic bioactive compounds. In the first step, α‐branched aldehydes and propargylic alcohols are transformed into α‐quaternary ethers with excellent optical purities (>90 % ee) via oxidative umpolung with DDQ and an amino acid‐derived primary amine catalyst. Subsequent gold(I)‐catalyzed intramolecular hydroarylation affords the isochromane products with retention of the quaternary stereocenter. A second approach explores the use of allylic alcohols as reaction partners for the oxidative coupling to furnish α‐quaternary ethers with generally lower enantiopurities. Stereoretentive cyclization to isochromane products is achieved via intramolecular Friedel‐Crafts type alkylation with allylic acetates as a reactive handle. A number of synthetic elaborations and a biological study on these α‐quaternary isochromanes highlight the potential applicability of the presented method.
Preferential Formation of Ethylene via Electrocatalytic CO2 Reduction on Mesoporous Cu2O Nanoparticles: Synergistic Effects of Pore Structure Confinement and Surface Amine
Authors: Zhang Haifeng , Li Dun , Chen Zhifang , Wang Yingying , Sun Haoyu , Liu Feng , Liu Maochang , Zheng Yiqun , Huang Hongwen 
Published: April 2024

Comprehensive SummaryWe present a facile synthetic strategy to create mesoporous Cu2O nanocrystals with tunable pore structures and surface functional groups of amine derivatives for efficient and preferable electrochemical conversion of CO2 into ethylene. The structural characteristics of these Cu2O nanocrystals can be manipulated using a set of amine derivatives, such as pyridine, 4,4'‐bipyridine, and hexamethylenetetramine, during the oxidative etching process of Cu nanocrystals by bubbling gaseous oxygen in N,N‐dimethylformamide solution. These amine derivatives not only serve as surface functional groups but also significantly affect the resulting pore structures. The synergistic effect of pore structure confinement and surface amine functionalization leads to the superb Faradaic efficiency (FE) of 51.9% for C2H4, respectively, together with the C2H4 partial current density of –209.4 mA·cm−2 at –0.8 V vs. reversible hydrogen electrode (RHE). The relatively high selectivity towards C2H4 was investigated using DFT simulations, where 4,4'‐bipyridine functionalized Cu2O seemed to favor the C2H4 formation with the low free energy of the intermediates. This study provides a feasible strategy to manipulate the pore structure and surface functionalization of mesoporous Cu2O nanocrystals by regulating the oxidative etching process, which sheds light on the rational preparation of high‐performance CO2RR electrocatalysts.
What Is “Key Information”? Consideration of the Reasons People Do or Do Not Take Part in Research
Authors: Berwanger Kara , Merz Jon F. 
Published: April 2024

ABSTRACTWe performed a qualitative review of 50 consent forms posted on Clinicaltrials.gov, examining the content of key information sections. We found that key information disclosures are typically focused on procedures, risks, potential benefits, and alternatives. Drawing upon reviews of the large literature examining the reasons people do or do not take part in research, we propose that these disclosures should be based more directly on what we know to be the real reasons why people choose to take part or refuse participation. We propose key information language for consideration by researchers and institutional review boards.
Mitral regurgitation in heart failure with preserved ejection fraction: The interplay of valve, ventricle, and atrium
Authors: Dhont Sebastiaan , van den Acker Gitte , van Loon Tim , Verbrugge Frederik H. , Verwerft Jan , Deferm Sébastien , Churchill Timothy W. , Mullens Wilfried , Lumens Joost , Bertrand Philippe B. 
Published: April 2024

AbstractMitral regurgitation (MR) is highly prevalent among patients with heart failure and preserved ejection fraction (HFpEF). Despite this combination being closely associated with unfavourable outcomes, it remains relatively understudied. This is partly due to the inherent heterogeneity of patients with HFpEF. To address this gap, dissecting HFpEF into mechanism‐based phenotypes may offer a promising avenue for advancing our comprehension of these complex intertwined conditions. This review employs the validated CircAdapt model to explore the haemodynamic implications of moderate to severe MR across a well‐defined spectrum of myocardial disease, characterized by impaired relaxation and reduced myocardial compliance. Both heart failure and mitral valve disease share overlapping symptomatology, primarily attributed to elevated pulmonary pressures. The intricate mechanisms contributing to these elevated pressures are multifaceted, potentially influenced by diastolic dysfunction, left atrial myopathy, and MR. Accurate evaluation of the haemodynamic and clinical impact of MR necessitates a comprehensive approach, taking into account the characteristics of both the left atrium and left ventricle, as well as their intricate interactions, which may currently be underemphasized in diagnostic practice. This holistic assessment is imperative for enhancing our understanding and refining therapeutic strategies within this patient cohort.
An Atypically Bent Isocyanide at Iron in a Tetrapodal Penta‐Carbene Framework
Authors: Gau Michael R. , Keller Taylor M. , Scepaniak Jeremiah J. 
Published: April 2024

AbstractReduction of the previously reported Iron (III) complex PhCC4MeFeCl with sodium naphthalide forms the square pyramidal complex PhCC4MeFe (1), cleanly in moderate yield with short reaction times. The related diamagnetic complex PhCC4MeFe(CNtBu) (2) was prepared by addition of an equivalent of tert‐butylisocyanide to a solution of 1. XRD of 2 reveals a rare bent form of the isocyanide moiety with a C−N−C bond angle of 142.67(18)° consistent with sp2 hybridization at the N‐atom while IR spectroscopy reveals an atypically broadened isocyanide stretch at νCNR=1981 cm−1; taken together these metrics are demonstrative of the excellent donor ability of the dianionic penta‐carbene framework and point to a degree of metal‐to‐ligand π‐backbonding rarely seen at isocyanide complexes of iron.
Enantioselective Synthesis of Sterically Hindered α‐Allyl‐α‐Aryl Lactams via Palladium‐Catalysed Decarboxylative Asymmetric Allylic Alkylation
Authors: Galvin Declan J. , Guiry Patrick J. 
Published: April 2024

AbstractThe Pd‐catalysed decarboxylative asymmetric allylic alkylation (DAAA) of sterically hindered α‐aryl,β‐amido allyl ester lactams has been developed. The key step in the synthesis of a range of α‐aryl lactam substrates for catalysis was a Pb‐mediated α‐arylation of a β‐amido allyl ester affording 14 novel examples of α‐aryl‐β‐amido allyl ester lactams in good yields (up to 80 %). The Pd‐catalysed DAAA was optimised with the 2,4,6‐trimethoxyphenyl‐containing substrate. Using (S,S)‐DACH‐phenyl Trost as the optimal chiral ligand, enantioselectivities of up to 82 % ee were obtained. A substrate scope of 11 examples of α‐aryl‐β‐amido allyl ester lactams showed that products containing the di‐ortho‐methoxy‐substituted phenyls and naphthyl groups gave rise to the highest ees, whereas products not bearing this substitution pattern showed lower enantioselectivities (<60 % ee). Transition states to rationalise the observed stereochemical outcome are proposed.
Iridium‐Catalyzed Electrooxidative Annulation of Naphthol with Acrylate via C−H Bond Activation for the Synthesis of Naphtho[1,8‐bc]furan
Authors: Patil Nilam , Das Debarati , Bhanage Bhalchandra M. 
Published: April 2024

AbstractIridium catalyzed electrochemical coupling of naphthols with acrylates for the syntheses of naphtho[1,8‐bc]furan derivatives are herein reported. Ir‐catalyzed electrochemical C−H annulation is accomplished within a supportive catalysis manifold, paving the way for electrooxidative C−H acrylation via weak O‐coordination. The merge of iridium catalysts and electric current not only minimizes the need for a stoichiometric amount of chemical oxidants but also confirms broad reaction compatibility with a variety of electronically and sterically diverse substrates. This utility provides a valuable method for producing a wide range of naphtho[1,8‐bc]furan derivatives in good to moderate yields.
A life span perspective on competencies for a healthy, physically active lifestyle: Findings of a data pooling initiative with over 7000 individuals
Authors: Carl Johannes , Blaschke Simon , Sudeck Gorden , Schmid Julia , Eckert Katharina , Geidl Wolfgang , Jaunig Johannes , Köppel Maximilian , Wiskemann Joachim , Liphardt Anna‐Maria , Pfeifer Klaus 
Published: April 2024

AbstractIndividuals are recommended to lead active lifestyles throughout the life course. The model of physical activity‐related health competence (PAHCO) adopts a competence approach by integrating physical, cognitive, and motivational determinants for health‐enhancing PA (movement competence, control competence, self‐regulation competence). Drawing on a comprehensive dataset pooling, the goal of the present study was to model the idiosyncratic courses of 10 PAHCO indicators over the life span. We identified studies that empirically operationalized PAHCO, combining data of 7134 individuals (age range: 15–97 years; 61% female) from 18 different populations (prevention and rehabilitation sectors). We applied a stepwise multilevel analysis approach with disjunct sub‐samples (n = 48) to examine linear and quadratic associations between age and PAHCO. Indicators of movement competence (i.e., manageability of endurance, strength, and balance demands; task‐specific self‐efficacy) congruently showed negative associations with age (0.054 ≤ ≤ 0.211). However, parameters of control competence remained stable across the life span (−0.066 ≤ β ≤ 0.028). The three indicators of self‐regulation competence revealed an inconsistent relationship with age, though uncovering positive associations for self‐control (β = 0.106) and emotional attitude toward PA (β = 0.088). The associations of some indicators varied significantly across sub‐samples. The results suggest differential analyses for associations between PAHCO and age. While the physically determined PAHCO indicators (movement competence) probably decline across the life span, the ability to ensure regularity of PA (self‐regulation competence) or align PAs with an individual's health (control competence) appear to remain constant or improve with increasing age. The findings reinforce a de‐stigmatizing approach for PA promotion practices with considerable space for aligning activities with health also in the elderly.
Responsive photoactive probe based photoelectrochemical sensor for sulfur dioxide
Authors: Zhang Yingying , Hao Yuanqiang , Peng Ying , Wang Xiaobing , Zhou Yanli , Chen Shu , Xu Maotian 
Published: April 2024

AbstractThis study introduces a novel photoelectrochemical (PEC) sensor for the highly selective detection of sulfur dioxide (SO2) using an organic photoactive molecule probe (OPM). OPM is synthesized through a one‐step coupling reaction, featuring a typical photosensitizer D‐π‐A structure. By covalently bonding OPM with a TiO2 substrate, a PEC sensor is constructed, exhibiting a significant photocurrent response under visible light excitation. The specific addition reaction between SO2 and OPM disrupts its conjugated structure, reducing the photocurrent response and achieving highly selective detection of SO2. The sensor demonstrates excellent performance in real water samples, emphasizing its practical applications.
Integrated metabolome, proteome, and transcriptome analysis explored the molecular mechanism of phosphoglycerate kinase 1 and pyruvate kinase M2 characterizing the postmortem meat quality
Authors: Huang Caiyan , Xiang Can , Wang Fangzhou , Blecker Christophe , Wang Zhenyu , Chen Li , Zhang Dequan 
Published: April 2024

AbstractPhosphoglycerate kinase 1 (PGK1) and pyruvate kinase M2 (PKM2) have been identified as the postmortem meat quality biomarkers. However, the precise molecular mechanism through which they affect and regulate the development of meat quality remains unclear. In this work, the high‐ and low‐activity groups (n = 10) were selected from 60 lamb muscles at 24 h postmortem based on the activity levels of PGK1 and PKM2. The metabolomic, proteomic, and transcriptomic analyses combined with deeply integrated multi‐omics analysis were used to elucidate the mechanisms by which PGK1 and PKM2 characterize meat quality. The results indicated that glycolysis played a crucial role in regulating PGK1 and PKM2 activity at the metabolome, proteome, and transcriptome levels. In glycolysis pathway, we identified several key components closely related to PGK1 and PKM2 activity, including differential metabolites (adenosine triphosphate, adenosine diphosphate, glucose‐6‐phosphate, nicotinamide adenine dinucleotide phosphate, fructose‐6‐phosphate, dihydroxyacetone phosphate, 3‐phosphoglycerate, NAD+ nicotinamide adenine dinucleotide, lactate, and pyruvate), different abundance proteins (lactate dehydrogenase B and fructose bisphosphate aldolase B), and differentially expressed genes (hexokinase and fructose‐1,6‐bisphosphatase 1). It was concluded that PGK1 and PKM2 may affect the formation of meat quality by regulating these critical substrates. Additionally, PGK1 and PKM2 could also affect the tricarboxylic acid cycle, oxidative phosphorylation, and muscle contraction in postmortem and then influence meat quality. This integrative omics study offers valuable insight into unraveling the molecular mechanisms underlying postmortem meat quality development.
Astrocytic uptake of posttranslationally modified amyloid‐β leads to endolysosomal system disruption and induction of pro‐inflammatory signaling
Authors: Wirth Sarah , Schlößer Annika , Beiersdorfer Antonia , Schweizer Michaela , Woo Marcel S. , Friese Manuel A. , Lohr Christian , Grochowska Katarzyna M. 
Published: April 2024

AbstractThe disruption of astrocytic catabolic processes contributes to the impairment of amyloid‐β (Aβ) clearance, neuroinflammatory signaling, and the loss of synaptic contacts in late‐onset Alzheimer's disease (AD). While it is known that the posttranslational modifications of Aβ have significant implications on biophysical properties of the peptides, their consequences for clearance impairment are not well understood. It was previously shown that N‐terminally pyroglutamylated Aβ3(pE)‐42, a significant constituent of amyloid plaques, is efficiently taken up by astrocytes, leading to the release of pro‐inflammatory cytokine tumor necrosis factor α and synapse loss. Here we report that Aβ3(pE)‐42, but not Aβ1‐42, gradually accumulates within the astrocytic endolysosomal system, disrupting this catabolic pathway and inducing the formation of heteromorphous vacuoles. This accumulation alters lysosomal kinetics, lysosome‐dependent calcium signaling, and upregulates the lysosomal stress response. These changes correlate with the upregulation of glial fibrillary acidic protein (GFAP) and increased activity of nuclear factor kappa‐light‐chain‐enhancer of activated B cells (NF‐κB). Treatment with a lysosomal protease inhibitor, E‐64, rescues GFAP upregulation, NF‐κB activation, and synapse loss, indicating that abnormal lysosomal protease activity is upstream of pro‐inflammatory signaling and related synapse loss. Collectively, our data suggest that Aβ3(pE)‐42‐induced disruption of the astrocytic endolysosomal system leads to cytoplasmic leakage of lysosomal proteases, promoting pro‐inflammatory signaling and synapse loss, hallmarks of AD‐pathology.
ELAPOR1 induces the classical/progenitor subtype and contributes to reduced disease aggressiveness through metabolic reprogramming in pancreatic cancer
Authors: Ohara Yuuki , Liu Huaitian , Craig Amanda J. , Yang Shouhui , Moreno Paloma , Dorsey Tiffany H. , Cawley Helen , Azizian Azadeh , Gaedcke Jochen , Ghadimi Michael , Hanna Nader , Ambs Stefan , Hussain S. Perwez 
Published: April 2024

AbstractPancreatic ductal adenocarcinoma (PDAC) is a heterogeneous disease with distinct molecular subtypes described as classical/progenitor and basal‐like/squamous PDAC. We hypothesized that integrative transcriptome and metabolome approaches can identify candidate genes whose inactivation contributes to the development of the aggressive basal‐like/squamous subtype. Using our integrated approach, we identified endosome–lysosome associated apoptosis and autophagy regulator 1 (ELAPOR1/KIAA1324) as a candidate tumor suppressor in both our NCI‐UMD‐German cohort and additional validation cohorts. Diminished ELAPOR1 expression was linked to high histological grade, advanced disease stage, the basal‐like/squamous subtype, and reduced patient survival in PDAC. In vitro experiments demonstrated that ELAPOR1 transgene expression not only inhibited the migration and invasion of PDAC cells but also induced gene expression characteristics associated with the classical/progenitor subtype. Metabolome analysis of patient tumors and PDAC cells revealed a metabolic program associated with both upregulated ELAPOR1 and the classical/progenitor subtype, encompassing upregulated lipogenesis and downregulated amino acid metabolism. 1‐Methylnicotinamide, a known oncometabolite derived from S‐adenosylmethionine, was inversely associated with ELAPOR1 expression and promoted migration and invasion of PDAC cells in vitro. Taken together, our data suggest that enhanced ELAPOR1 expression promotes transcriptome and metabolome characteristics that are indicative of the classical/progenitor subtype, whereas its reduction associates with basal‐like/squamous tumors with increased disease aggressiveness in PDAC patients. These findings position ELAPOR1 as a promising candidate for diagnostic and therapeutic targeting in PDAC.
Gray level fuzzy deep neural networks for enhancing performance in lung disease detection: A comparative study with fuzzy logic methods
Authors: Muthukumar B. , Prasad B. V. V. Siva , Raju Yeligeti , Lautre Hitendra Kumar 
Published: April 2024

AbstractLung cancer is a deadly disease, and its early detection is crucial for effective treatment. In this context, accurate classification of lung cancers from computed tomography imaging is a vital research area. Irregularly detected gray matter in these images can affect classification outcomes, making accurate lung cancer detection difficult. To address this issue, researchers have developed a new approach that combines fuzzy logic and deep neural networks (DNNs) for extracting the hidden characteristic features of lung diseases from the images, and thereby, ensuring that only relevant features are used for classification. The proposed gray‐level fuzzy approach on DNNs (GL‐FDNN) is designed to accurately classify four distinguished lung cancer classes namely, Large cell carcinoma, Adenocarcinoma, Normal lung computed tomography, and Squamous cell carcinoma. After identifying the area of interest, its pixel intensity ratio is used to derive the fuzzy logic, which is then used to extract the most obscure gray matter features. Then, ResNet‐18 sorts the obscure features into categories and picks only relevant features to improve classification accuracy. The gray‐level fuzzy approach on DNNs technique was tested alongside some of the renowned, existing techniques for their relative performances. Experimental analysis was carried out on standard Kaggle datasets and the outcomes reveal that the proposed technique offers the highest level of lung disease classification accuracy (99.2%). It also improves the recall and precision factors. Thus, it can serve as a valuable diagnosis tool that can enhance the detection of lung cancer and the effectiveness of its treatment to save lives.