bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enantioselective Synthesis of Chiral Sulfonimidoyl Fluorides Facilitates Stereospecific SuFEx Click Chemistry
Authors: Huang He‐sen , Yuan Yi , Wang Wei , Zhang Shi‐qi , Nie Xiao‐kang , Yang Wan‐ting , Cui Xin , Tang Zhuo , Li Guang‐xun 
Published: November 2024

AbstractSulfur‐centered electrophilic ‘warheads’ have emerged as key components for chemical proteomic probes through sulfur‐exchange chemistry (SuFEx) with protein nucleophiles. Among these functional groups, sulfonimidoyl fluorides (SIFs) stand out for their modifiable sites, tunable electrophilicities, and chiral sulfur‐center, presenting exciting possibilities for new covalent chemical probes. However, the synthetic access to chiral SIFs has been a challenge, limiting their exploration and applications. In this study, we describe a convenient route to obtain chiral SIFs from readily available sulfenamides via a series of one‐pot tandem reactions with high enantiomeric excess (ees). The resulting chiral SIFs were further converted into a diverse array of chiral S(VI) derivatives under mild conditions or in buffer solutions. Most significantly, the specificity of the chiral SIFs in protein ligation experiments underscored the critical role of sulfur‐center chirality in the design and screening of more‐selective covalent probes and therapeutics.
Multi‐N‐Heterocycle Donor‐Acceptor Conjugated Amphoteric Organic Superstructures for Superior Zinc Batteries
Authors: Song Ziyang , Huang Qi , Lv Yaokang , Gan Lihua , Liu Mingxian 
Published: November 2024

AbstractMultiple redox‐active amphoteric organics with more n‐p fused electron transfer is an ongoing pursuit for superior zinc–organic batteries (ZOBs). Here we report multi‐heterocycle‐site donor‐acceptor conjugated amphoteric organic superstructures (AOSs) by integrating three‐electron‐accepting n‐type triazine motifs and dual‐electron‐donating p‐type piperazine units via H‐bonding and π–π stacking. AOSs expose flower‐shaped N‐heteromacrocyclic electron delocalization topologies to promise full accessibility of built‐in n‐p redox‐active motifs with an ultralow activation energy, thus liberating superior capacity (465 mAh g−1) for Zn||AOSs battery. More importantly, the extended multiple donor‐acceptor‐fused conjugated AOSs feature satisfied discharge voltage and anti‐dissolution in electrolytes, pushing both the energy density and cycle life of the ZOBs to a new level (412 Wh kg−1 and 70,000 cycles@10 A g−1). An anion–cation hybrid 18 e− charge storage mechanism is rationalized for heteromacrocyclic modules of AOSs cathode, entailing six tert‐N motifs coupling with CF3SO3− ions at high potential and twelve imine sites coordinating with Zn2+ ions at low potential. These findings constitute a major advance of amphoteric multielectron organic materials and stand for a good starting point for advanced ZOBs.
Amazonins: New Peptaibol Sequences from an Endophytic Strain of Trichoderma amazonicum
Authors: dos Santos Castro Gleucinei , Fernandes Sousa Thiago , Jarline Santos da Silva Ingride , Sena Raposo Débora , Carlos Ipuchima da Silva José , Peñaloza Evelyn , Garrett Rafael , Eduardo Beleza Yamagishi Michel , Ferreira da Silva Gilvan , Henrique Ferreira Koolen Hector 
Published: November 2024

AbstractThree new putative sequences of 14‐residue peptaibols, named amazonins I–III were characterized from the endophytic fungus Trichoderma amazonicum via genome mining, high‐performance liquid chromatography coupled to high‐resolution tandem mass spectrometry (LC–MS/MS), and molecular networking. Bioinformatic analysis of the T. amazonicum genome assembly revealed 63 clusters of biosynthetic genes (BGCs) related to secondary metabolites, including a nonribosomal peptide synthetase accountable for the biosynthesis of the discovered peptide sequences. Analysis of the adenylation domains, along with manual interpretation of MS/MS spectra, allowed extensive annotation of the new peptaibol sequences. The combination of bioinformatic tools and LC–MS/MS provides a better opportunity to characterize and identify new peptaibol sequences. Thus, the importance of studies on the production and characterization of peptaibols produced by Trichoderma species from the Amazon region is highlighted.
HUSM endocarditis team's approach to acute ruptured chordae tendineae in chronic rheumatic heart disease
Authors: Othman Mohd Khairi , Abdullahilhai Anis Alyani , Yusof Zurkurnai , W. Isa W. Yus Haniff , Muhd Besari Hashim Alwi , Mokhtar Ariffin Marzuki , Hussain Aimatnuddin Husairi , Hassan Mohamad Hasyizan , Mamat Ahmad Zuhdi 
Published: November 2024

Key Clinical MessageNeglected rheumatic heart disease (RHD) can lead to severe complications and change patients' quality of life, particularly that of young patients. This report highlights the importance of public health education for patients and families in preventing RHD complications. In RHD management, prevention is better than cure.
Active Photonic Glass for Hydrogen Generation
Authors: Wang Cong , Johar Masa , Ullah Wahid , Paineau Erwan , Li Jingwei , Nawfal Ghazzal Mohamed 
Published: November 2024

AbstractChirality is vital in many living species since it is responsible for structural iridescent coloration and plays a key role in light harvesting during natural photosynthesis. Developing photoactive materials with such chiral structures is a challenging but promising strategy for energy applications. Here, we present a straightforward method to establish an active photonic glass obtained through the co‐condensation of tetramethyl orthosilicate (TMOS) and titanium diisopropoxide bis(acetylacetonate) (TAA) dissolved in a liquid crystal formed from cellulose nanocrystalline (CNC). The inorganic glass maintains a long range of chiral nematic ordering, displaying iridescent colors characterized by a Bragg peak reflection. The reflected wavelengths are tuned all over the UV‐visible range, demonstrating that the replica of the chiral nematic structure generates photonic properties. Incorporation of gold nanoparticles (Au NPs) into the films is further performed by impregnation/chemical reduction. We show that the charge carrier density and photocatalytic H2 generation were amplified when the photonic band gap edges matched the absorbance of the TiO2 and localized surface plasmon resonance (LSPR) of AuNPs. This photocatalytic glass with chiral nematic ordering and a tunable photonic bandgap paves the way for the development of metamaterials with new applications, such as asymmetric photocatalysis.
Structure and Topography of Facial Branchiomotor Neuron Dendrites in Larval Zebrafish (Danio rerio)
Authors: McArthur Kimberly L. , Ho Winnie J. 
Published: November 2024

ABSTRACTMotor circuits in the vertebrate hindbrain need to become functional early in development. What are the fundamental mechanisms that establish early synaptic inputs to motor neurons? Previous evidence is consistent with the hypothesis that motor neuron dendrite positioning serves a causal role in early spinal motor circuit development, with initial connectivity determined by the overlap between premotor axons and motor neuron dendrites (perhaps without the need for molecular recognition). Does motor neuron dendrite topography serve a similar role in the hindbrain? In the current study, we provide the first quantitative analysis of the dendrites of facial branchiomotor neurons (FBMNs) in larval zebrafish. We previously demonstrated that FBMNs exhibit functional topography along the dorsoventral axis, with the most ventral cell bodies most likely to exhibit early rhythmic activity—suggesting that FBMNs with ventral cell bodies are most likely to receive inputs from premotor neurons carrying rhythmic respiratory signals. We hypothesized that this functional topography can be explained by differences in dendrite positioning, giving ventral FBMNs preferential access to premotor axons carrying rhythmic signals. If this hypothesis is true, we predicted that FBMN cell body position would be correlated with dendrite position along the dorsoventral axis. To test this prediction, we used single‐cell labeling to trace the dendritic arbors of FBMNs in larval zebrafish at 5‐days post‐fertilization (dpf). FBMN dendrites varied in complexity, and this variation could not be attributed to differences in the relative age of neurons. Most dendrites grew caudally, laterally, and ventrally from the cell body—though FBMN dendrites could extend their dendrites dorsally. Across our sample, FBMN cell body position correlated with dendrite position along the dorsoventral axis, consistent with our hypothesis that differences in dendrite positioning serve as the substrate for differences in activity patterns across neurons. Future studies will build on this foundational data, testing additional predictions of the central hypothesis—to further investigate the mechanisms of early motor circuit development.
Soybean water‐use efficiency increased over 80 years of breeding
Authors: Costa Netto Jose R. , Almtarfi Hussien I. Taresh , Li Jiahe , Anderson Derek T. , Fritschi Felix B. 
Published: November 2024

AbstractBreeders successfully increased US soybean [Glycine max (L.) Merr.] yields over the past nearly 100 years and altered various plant characteristics underpinning the yield gains. However, the impact of breeding on plant‐level water‐use efficiency (WUEp) has not been examined yet. This study, conducted across eight environments using maturity group IV cultivars released between 1930 and 2005, aimed to (1) determine if soybean WUEp, assessed using C isotope composition (δ13C) measurements on shoot biomass sampled at early seed filling (R5), has changed with cultivar year of release (YoR), and (2) assess how canopy temperature (CT) and WUEp relate to each other and to seed yield. Across environments and cultivars, δ13C ranged from −27.52‰ to −28.24‰ and the correlation between cultivar YoR and WUEp was positive in four individual environments (p ≤ 0.07), as well as across the eight environments (p = 0.0083), with an average increase of shoot δ13C of 0.004‰ per year of soybean breeding. Lower average δ13C values for specific environments were associated with higher precipitation prior to biomass sampling, which is consistent with a lower WUEp when more water was available. Interestingly, across environments, midday CT at early seed filling was negatively correlated with YoR and WUEp, suggesting that intrinsic WUE of more recently released cultivars was lower during high demand periods. Further studies are needed to understand the mechanisms underlying these relationships between WUEp and CT and to identify physiological mechanisms that can be targeted for breeding high‐yielding cultivars while increasing or maintaining WUEp.
The impact of digitalization on CSR commitment: The role of human resource management system and employee autonomy
Authors: Zeshan Muhammad , Rasool Shahid , Cerchione Roberto , Centobelli Piera , Morelli Mariarosaria 
Published: November 2024

AbstractAlthough the relationship between digitalization and employees' corporate social responsibility (CSR) commitment has been extensively explored in literature, there remains a consensus on how digitalization affects employees' commitment. Therefore, this study aims to investigate the relationship between digitalization and CSR commitment. Data from branches of two banks was collected by using a time‐lagged approach, and structural equation modeling was employed to validate the measure and test the hypotheses. The findings indicate a direct correlation between digitalization and the CSR commitment of employees towards their organization. The research demonstrates that such a correlation is contingent upon the Human Resource Management (HRM) system used within the organization and the satisfaction of employees' need for autonomy in the workplace. The study emphasizes the role of work design and HRM practices in the relationship between digitalization and employees' CSR commitment.
The role of employees' perceptions of corporate social responsibility in the relationship between organizational reputation and organizational attractiveness. Evidence from Italy
Authors: Rosa Angelo , Capolupo Nicola , Marolla Giuliano 
Published: November 2024

AbstractRecruitment success or failure hinges on organizational reputation (OR), encompassing both internal and external perceptions, as well as corporate social responsibility (CSR) activities. While existing literature underscores the direct positive impact of formalized CSR on OR and organizational attractiveness (OA), it remains unclear whether personal perceptions of CSR consistency with organizational behavior influence the OR–OA relationship. This study aims to bridge this gap by examining the interplay of CSR in the relationship between OR and OA. Employing a self‐administered survey, data is collected from a diverse sample comprising postgraduate students and working professionals. The findings from this empirical investigation aim to shed light on the nuanced dynamics between CSR, OR, and OA, thereby contributing to the scholarly discourse and informing HR practitioners' decision‐making processes.
Measurable morphological features of single circulating tumor cells in selected solid tumors—A pilot study
Authors: Wenta Robert , Richert Julia , Muchlińska Anna , Senkus Elżbieta , Suchodolska Grażyna , Łapińska‐Szumczyk Sylwia , Domżalski Paweł , Miszewski Kevin , Matuszewski Marcin , Dziadziuszko Rafał , Supernat Anna , Żaczek Anna , Bednarz‐Knoll Natalia 
Published: November 2024

AbstractLiquid biopsies developed into a range of sensitive technologies aiming to analyze for example, circulating tumor cells (CTCs) in peripheral blood, which significantly deepens understanding of the metastatic process. Nevertheless, examination of CTCs is mostly limited to their enumeration and usually only 2–3 markers‐based phenotyping, not offering yet sufficient insight into their biology. In contrast, quantitative analysis of their morphological details might extend our knowledge about dissemination and even improve CTC isolation or label‐free identification methods dependent on their physical features such as size, and deformability. Current study was conducted to describe CTCs' and their size, shape, presence of protrusions, and micronuclei across various types of cancers (lung, n = 29; ovarian, n = 24, breast, n = 54; and prostate, n = 33). Epithelial (pan‐keratins), mesenchymal (vimentin), and two exclusion markers were used to identify CTCs and classify them into four epithelial and epithelial‐mesenchymal transition‐related phenotypes using standardized and throughput method, imaging flow cytometry. The morphological characteristics of CTCs, including their nuclei, such as circularity, the maximum, and minimum diagonal values were determined using an open‐source software QuPath. On average, detected CTCs (n = 1156) were larger, and more irregular in shape compared to leukocytes/endothelial cells (n = 400). Epithelial and mesenchymal CTCs had the largest (median = 18.2 μm) and the smallest diameter (median = 10.4 μm), respectively. In terms of cancer‐specific variations, the largest CTCs were identified in lung cancer, whereas the smallest—in prostate and breast cancers. Epithelial CTCs and those negative for both epithelial and mesenchymal markers exhibited the highest degree of elongation, whereas mesenchymal CTCs were the most irregular in shape. Protrusions and micronuclei were observed extremely rarely within CTCs of breast and prostate cancer (0.6%–0.8% of CTCs). Micronuclei were observed only in epithelial and epithelial‐mesenchymal CTCs. This study underscores the significant variability in the morphological features of CTCs in relation to their phenotypic classification or even the particular organ of origin, potentially influencing for example, size‐dependent CTC isolation methods. It demonstrates for the first time the morphological measurements of CTCs undergoing epithelial‐mesenchymal transition, and some specific morphological details (i.e., protrusions, micronuclei) within CTCs in general.
Recent Progress and Applications of Advanced Nanomaterials in Solid‐Phase Extraction
Authors: Chen Pin , Zhang Qiuyue , Yin Hang , Di Siyuan , Liu Huan , Qin Hailan , Liu Ming , Liu Yunkang , Li Zihan , Zhu Shukui 
Published: November 2024

ABSTRACTSample preparation maintains a key bottleneck in the whole analytical procedure. Solid‐phase sorbents (SPSs) have garnered increasing attention in sample preparation research due to their crucial roles in achieving high clean‐up and enrichment efficiency in the analysis of trace targets present in complex matrices. Novel nanoscale materials with improved characteristics have garnered considerable interest across different scientific disciplines due to the limited capabilities of traditional bulk‐scale materials. The purpose of this review is to offer a thorough summary of the latest developments and uses of SPSs in preparing samples for chromatographic analysis, focusing on the years 2020–2024. The techniques for preparing SPSs are examined, such as metal–organic frameworks (MOFs), covalent organic frameworks (COFs), carbon nanoparticles (CNPs), molecularly imprinted polymers (MIPs), and metallic nanomaterials (MNs). Examining the pros and cons of different extraction methods, including solid‐phase extraction (SPE), magnetic SPE (MSPE), flow‐based SPE (FBA‐SPE), solid‐phase microextraction (SPME), stir‐bar sorptive extraction (SBSE), and dispersive SPE (DSPE), is the main focus. Furthermore, this article presents the utilization of SPE technology for isolating common contaminants in various environmental, biological, and food specimens. We highlight the persistent challenges in SPSs and anticipate future advancements and applications of novel SPSs.
Anti‐Inflammatory Action and Molecular Mechanism of Fucoidan Against Cystitis Glandularis
Authors: Chen Qingting , Mo Jie , Li Yu , Gao Li , Wu Ka 
Published: November 2024

ABSTRACTCystitis glandularis (CG), known as a pre‐gradual lesion in the bladder, is the pathological changes in the vesical mucosa characterized by inflammatory invasion and chronic obstruction. Clinically, effective treatment against CG is prescribed only when using drug therapy. Fucoidan, the naturally extractive polysaccharide, is well‐reported bioactive compound with anti‐inflammatory and immunoregulatory properties. In this research, an emerging computational approach was applied to explicate anti‐CG actions and pharmacological targets exhibited by fucoidan in detail. Current network pharmacology data showed that 16 intersection genes of fucoidan and CG were identified, whereas all 6 core targets, including interleukin‐6 (IL‐6), tumor necrosis factor (TNF), interleukin‐1B (IL‐1B), matrix metalloproteinase‐9 (MMP‐9), interleukin‐10 (IL‐10), matrix metalloproteinase‐2 (MMP‐2), biological processes, and signaling pathways of fucoidan against CG were characterized, respectively. As revealed in the underlying mechanism, the anti‐CG actions achieved by fucoidan were chiefly implicated in the reduction of inflammatory reactions and enhancement of immunoregulation. Taken together, these network bioinformatics findings may be used to reveal anti‐CG effects and the pharmacological mechanism of fucoidan before further experimental validation. Furthermore, those core genes identified may be therapeutic targets for research and development of fucoidan‐anti‐CG.
Charting a course: Use of Electronic Health Records in skills‐based pharmacy education
Authors: Ives Amy L. , Maes Marina L. , Sawyer Kathryn , Bergbaken Jessica M. , Van Hooser Jared , Fravel Michelle , Cook Kristen 
Published: November 2024

AbstractIntroductionCompetent navigation of an electronic health record (EHR) has become a critical skill for health professionals, and pharmacists need to be adept in EHR utilization given the extent of EHR involvement in routine medication management. Limited data exists related to current approaches to teaching EHR skills in pre‐Advanced Pharmacy Practice Experiences (pre‐APPE) pharmacy curricula.ObjectivesThe purpose of this study was to describe activities, utilization, and barriers to implementation of teaching EHRs (tEHRs) into pharmacy curricula in skills‐based courses.MethodsFaculty members of the Big Ten Academic Alliance Skills‐Based Education and Assessment Collaborative (BTAA‐SBEAC) were surveyed. The questionnaire included open‐ended questions related to tEHR type, curriculum placement, and current use of tEHRs, as well as barriers to incorporation of tEHRs in the curriculum. Inductive content analysis was used to evaluate qualitative responses.ResultsA representative from all 10 colleges within the BTAA responded. Most programs focused on EHR teaching in the second and third years of the curriculum. All respondents reported having access to a tEHR for internal case building. The tEHR was used by all institutions to allow students to practice in gathering patient information as the first step in the Pharmacists' Patient Care Process. Other activities commonly performed using the tEHR included patient care documentation, medication order verification, prescription processing, and medication reconciliation. Faculty time and cost were barriers identified for successful tEHR implementation.ConclusionMultiple skills are taught through the utilization of a tEHR among the colleges within the BTAA. These activities vary between institutions, and barriers exist that limit expansion and consistent integration across a skills‐based curriculum. Recognition of EHR utilization as an essential pharmacy skill can allow for development of formalized learning outcomes, leading to better support and integration throughout skills‐based courses.
Theoretical investigation of Diels–Alder reaction mechanism and regioselectivity with functionalized fullerene derivatives
Authors: Makiabadi Batoul , Naderi Fereshteh , Zakarianezhad Mohammad 
Published: November 2024

AbstractDensity functional theory (DFT) was used to study the mechanism of Diels–Alder (DA) reaction between 2‐Methyl‐ 1,3 Butadiene (MBD) with B12N12, B6N6C12 and B6C12N6 fullerens in the gas phase. In this mechanism, B‐N bonds of four‐membered and six‐membered rings of nanocages were chosen to react with MBD. Due to the existence of two types of B‐N bonds, two competitive pathways (a and b) were investigated. The effect of the substitution of carbon atoms instead of boron and nitrogen atoms on the stability of the structures and the regioselectivity of the DA reaction was examined. The potential energy of all structures and the activation barrier for all reaction pathways was evaluated. The chemical reactivity of fullerens using the molecular quantum descriptors was assessed. To evaluate the global electron density transfer in transition states (TS) structures, the natural bond orbital (NBO) analysis was performed.