bluuebunny/crossref_metadata_2025_split huggingface dataset:
An Automated Electrochemical Flow Platform to Accelerate Library Synthesis and Reaction Optimization
Authors: Rial‐Rodríguez Eduardo , Williams Jason D. , Cantillo David , Fuchß Thomas , Sommer Alena , Eggenweiler Hans‐Michael , Kappe C. Oliver , Laudadio Gabriele 
Published: September 2024

AbstractAutomated batch and flow setups are well‐established for high throughput experimentation in both thermal chemistry and photochemistry. However, the development of automated electrochemical platforms is hindered by cell miniaturization challenges in batch and difficulties in designing effective single‐pass flow systems. In order to address these issues, we have designed and implemented a new, slug‐based automated electrochemical flow platform. This platform was successfully demonstrated for electrochemical C−N cross‐couplings of E3 ligase binders with diverse amines (44 examples), which were subsequently transferred to a continuous‐flow mode for confirmation and isolation, showing its applicability for medicinal chemistry purposes. To further validate the versatility of the platform, Design of Experiments (DoE) optimization was performed for an unsuccessful library target. This optimization process, fully automated by the platform, resulted in a remarkable 6‐fold increase in reaction yield.
Using an Academic‐Practice Partnership to Address the Perioperative Nursing Shortage
Authors: Apple Brandi , Letvak Susan , Garrett Kristin , Fencl Jennifer L. (Zinn) 
Published: September 2024

ABSTRACTThe nursing shortage continues to affect perioperative nursing negatively. Multiple factors, including a lack of exposure to the perioperative nursing specialty during baccalaureate nursing programs, influence the number of applicants for open perioperative positions. In 2018, we formed a collaborative academic‐practice partnership to address this critical gap at our facility. We created an interactive learning program that included a scenario in a fully equipped OR simulation suite to provide nursing students with exposure to the perioperative setting. Students who participated in the experience reported that they appreciated exposure to an OR environment and engaging with perioperative personnel. Additionally, there was an increase in the number of nurse externship applications and students who were interested in completing their capstone experience in perioperative settings at our health care system. These positive outcomes illustrate that an effective collaboration between academic and clinical practice leaders can increase nursing students’ interest in perioperative nursing.
EML4‐ALK G1202R and EML4‐ALK L1196M mutations induce crizotinib resistance in non‐small cell lung cancer cells through activating epithelial–mesenchymal transition mediated by MDM2/MEK/ERK signal axis
Authors: Yang Yuying , Yang Huan , Gao Yunhui , Yang Qian , Zhu Xinya , Miao Qianying , Xu Xiaobo , Li Zengqiang , Zuo Daiying 
Published: September 2024

AbstractCrizotinib, as the first‐generation of anaplastic lymphoma kinase (ALK) inhibitor, effectively improves the survival time of ALK‐positive non‐small cell lung cancer (NSCLC) patients. However, its efficacy is severely limited by drug resistance caused by secondary mutations. G1202R and L1196M are classical mutation sites located in ALK kinase domain. They may hinder the binding of ALK inhibitors to the target kinase domain, resulting in drug resistance in patients. However, the exact mechanism of drug resistance mediated by these mutations remains unclear. In this study, we aimed to evaluate how G1202R and L1196M mutations mediate crizotinib resistance. To explore the resistance mechanism, we constructed EML4‐ALK G1202R and L1196M mutant cell lines with A549 cells. The results showed that the mutant cells exhibited significant epithelial–mesenchymal transition (EMT) and metastasis compared to control (A549‐vector) or wild type (A549‐EML4‐ALK) cells. Subsequently, it was found that the occurrence of EMT was correlated to the high expression of murine double minute 2 (MDM2) protein and the activation of mitogen‐activated protein kinase (MEK)/extracellular signal‐regulated kinase (ERK) pathway in mutant cells. Down‐regulation of MDM2 inhibited the activation of MEK/ERK pathway, thus reversed the EMT process and markedly increased the inhibitory effect of crizotinib on the growth of mutant cells. Collectively, resistance of ALK‐positive NSCLC cells to crizotinib is induced by G1202R and L1196M mutations through activation of the MDM2/MEK/ERK signalling axis, promoting EMT process and metastasis. These findings suggest that the combination of MDM2 inhibitors and crizotinib could be a potential therapeutic strategy.
Facile synthesis of zeolitic‐imidazole framework‐67 (ZIF‐67) for the adsorption of indigo carmine dye
Authors: Kola Duygu Yanardag , Edebali Serpil 
Published: September 2024

AbstractThis study aims to synthesize ZIF‐67 for the adsorption of indigo carmine (I.C.) dye. ZIF‐67 materials were synthesized under different conditions and the synthesis condition of ZIF‐67 giving the best adsorption efficiency was obtained. In batch adsorption studies, pH, adsorbent amount, contact time, initial dye concentration, and temperature effects were investigated. Adsorption data were applied to Langmuir, Freundlich, and Temkin isotherm models. The best correlation value was obtained in Langmuir isotherm (R2 = 0.999). The adsorption of I.C. dye with ZIF‐67 occurred in a monolayer with a homogeneous surface according to Langmuir isotherm. The highest adsorption capacity value of ZIF‐67 metal–organic framework for I.C. dye was found as 370 mg/g. Kinetic model studies were also performed and pseudo first‐order, pseudo second‐order, and intraparticle diffusion models were used. Pseudo second‐order was the best fitting kinetic model to the data (R2 = 0.997). Adsorption mechanisms of ZIF‐67 for I.C. dye include electrostatic interaction, π–π interaction, and hydrogen bonding. Thermodynamic studies showed that I.C. removal by ZIF‐67 is an exothermic and spontaneous process. ZIF‐67 was characterized by X‐ray diffraction (XRD), Fourier transform infrared spectroscopy (FT‐IR), field emission scanning electron microscope (FE‐SEM), and N2 adsorption–desorption. The surface area of synthesized ZIF‐67 was found 1493 m2 g−1. The salt concentration effect on I.C. adsorption by ZIF‐67 was also investigated, showing an increase in adsorption capacities with increasing salt concentration. The regeneration study was carried out and after 5 cycles, the reduction in efficiency was 21%.
Electrochemical Properties of C/SiO2/Graphene Nanoplatelets as High‐Rate Performance Anode Material in Li‐Ion Batteries
Authors: Chuong Yen Kim Nguyen , Nguyen Quynh Nhu , Tran Man Van , Le Phuoc Anh , Le Phung Loan My , Phung Viet Bac T. , Vu Phat Tan 
Published: September 2024

ABSTRACTLithium‐ion batteries are vital power sources for modern society, especially mainly powered electronic devices, electric vehicles (EVs), and future stationary energy storage. Battery cost is still challenging for EVs and large‐scale applications that continuously require the development of low‐cost and abundant elements‐based materials for sustainable battery manufacturing. SiO2 derived from rice husks emerges as a promising anode material owing to its advantageous raw source and cost‐effectiveness. However, the material's low electronic conductivity and poor lithium‐ion diffusion rate make it unsuitable for fast‐charging or high‐power applications. To overcome these challenges, graphene nanoplatelets have been introduced as a conducting additive to enhance electronic conductivity and optimize lithium diffusion in the battery. In this research, an ultrasonic method was utilized to create a composite of C/SiO2/graphene using C/SiO2 derived from rice husk and graphene nanoplatelets. The mixture containing 85 wt% of graphene exhibited superior electrochemical performance among the investigated ratios with excellent cycling performance (305 mAh g−1 with capacity retention of 86.18% after 50 cycles at 0.1 A g−1) and an impressive rate capability (69.9 mAh g−1 at a high current of 2.0 A g−1, nearly three times higher than the bare C/SiO2). XPS and GITT analysis confirmed that the solid electrolyte interphase (SEI) layer on the C/SiO2/graphene electrode was more stable and conductive due to higher LiF‐Li2CO3 content, which enhanced the lithium diffusion from the graphene's high surface area.
Adsorption characteristics of modified bentonites for purification of anthocyanin from saffron tepal
Authors: Oliaei Torshizi Hasan , Oliaei Samieh 
Published: September 2024

AbstractIn this study, anthocyanin was extracted from saffron tepals utilizing the ultrasound‐assisted extraction method. The adsorbents of raw bentonite (RB), acid activation of bentonite (AA) thermal activation of bentonite (TA), and acid and thermal activation of bentonite (ATA) were employed to separate anthocyanin from solution. The influence of the operating parameters was evaluated. The isotherm study demonstrated that anthocyanin adsorption on adsorbents could be fitted better by the Langmuir equation than the Freundlich equation. A good agreement between the predicted consequences of the pseudo‐second‐order model and empirical data was provided. Thermodynamic parameters indicated that anthocyanin was adsorbed in an exothermic and physical process. Findings presented that the best adsorption performance of anthocyanin related to ATA with 2.25 mg/g adsorption capacity which was more than 1.55, 1.75, 1.88 mg/g for RB, AA, and TA, respectively. It was due mainly to the increased surface area by both thermal and acid activation of raw bentonite.
Sea conch (Rapana venosa) peptide hydrolysate regulates NF‐κB pathway and restores intestinal immune homeostasis in DSS‐induced colitis mice
Authors: Ullah Hidayat , Alioui Yamina , Ali Muhsin , Ali Sharafat , Farooqui Nabeel Ahmed , Siddiqui Nimra Z. , Alsholi Duaa M. , Ilyas Muhammad , Rahman Mujeeb U. , Xin Yi , Wang Liang 
Published: September 2024

AbstractInflammatory bowel disease (IBD) is a chronic inflammatory condition of the gastrointestinal tract. Sea conch peptide hydrolysate (CPH) was produced by enzymatic digestion of fresh conch meat with trypsin enzyme. To analyze the molecular composition, functional groups, and structural morphology of the hydrolysate, we employed liquid chromatography–mass spectrometry (LC–MS), Fourier‐transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM). Results confirmed that crude protein could be effectively digested by enzymes to generate peptides. In this study, we evaluated the bioactivities of CPH on dextran sulfate solution (DSS)‐induced colitis in mice. The findings demonstrated that CPH supplementation improved body weight, food and water intake, and colon length. The therapeutic efficacy and immunoregulatory effect of CPH were further determined. Our results exhibited that CPH treatment significantly ameliorated pathological symptoms by enhancing intestinal integrity, mucin production, and goblet cell count. Moreover, the immunoregulatory effect of CPH on mRNA expression levels of different pro‐ and anti‐inflammatory cytokines was determined. Results exhibited a decrease in the expression of pro‐inflammatory cytokines and an increase in anti‐inflammatory cytokines in the colon. Additionally, the CPH administration modulates the nuclear factor kappa B (NF‐κB) pathway, preventing DNA damage and cell death. Assays for apoptosis and DNA damage revealed that CPH reduced oxidative DNA damage and apoptosis. These findings highlight the immunomodulatory and treatment amelioration effect of CPH in reducing the severity of colitis.
PSAP‐Genomic‐Regions: A Method Leveraging Population Data to Prioritize Coding and Non‐Coding Variants in Whole Genome Sequencing for Rare Disease Diagnosis
Authors: Ogloblinsky Marie‐Sophie C. , Bocher Ozvan , Aloui Chaker , Leutenegger Anne‐Louise , Ozisik Ozan , Baudot Anaïs , Tournier‐Lasserve Elisabeth , Castillo‐Madeen Helen , Lewinsohn Daniel , Conrad Donald F. , Génin Emmanuelle , Marenne Gaëlle 
Published: September 2024

ABSTRACTThe introduction of Next‐Generation Sequencing technologies in the clinics has improved rare disease diagnosis. Nonetheless, for very heterogeneous or very rare diseases, more than half of cases still lack molecular diagnosis. Novel strategies are needed to prioritize variants within a single individual. The Population Sampling Probability (PSAP) method was developed to meet this aim but only for coding variants in exome data. Here, we propose an extension of the PSAP method to the non‐coding genome called PSAP‐genomic‐regions. In this extension, instead of considering genes as testing units (PSAP‐genes strategy), we use genomic regions defined over the whole genome that pinpoint potential functional constraints. We conceived an evaluation protocol for our method using artificially generated disease exomes and genomes, by inserting coding and non‐coding pathogenic ClinVar variants in large data sets of exomes and genomes from the general population. PSAP‐genomic‐regions significantly improves the ranking of these variants compared to using a pathogenicity score alone. Using PSAP‐genomic‐regions, more than 50% of non‐coding ClinVar variants were among the top 10 variants of the genome. On real sequencing data from six patients with Cerebral Small Vessel Disease and nine patients with male infertility, all causal variants were ranked in the top 100 variants with PSAP‐genomic‐regions. By revisiting the testing units used in the PSAP method to include non‐coding variants, we have developed PSAP‐genomic‐regions, an efficient whole‐genome prioritization tool which offers promising results for the diagnosis of unresolved rare diseases.
Interference inhibition of multimodal information in digital interfaces and its rule of cognitive processing
Authors: Shao Junkai , Tang Wenzhe , Ji Jing , Xue Chengqi , Lu Feng 
Published: September 2024

AbstractIn the digital interface of multimodal audio–visual presentation, the appearance of irrelevant information often brings cognitive interference or even confusion, leading to decision‐making errors when users focus on or manipulate the interface target. However, few studies have explored the brain's inhibition effect and cognitive law evoked by audio–visual interference from the perspective of interface information design. On the basis of Stroop's classic interference task, an experimental paradigm of multimodal audio–visual stimuli to induce event‐related potential (ERP) components was designed for digital interfaces in this study. Combining behavioral measurement and ERP technology, this study discussed the differences in the induced inhibition effects between the two carriers under various audio–visual interferences. The findings demonstrated that all five interference stimuli, based on functional icons and Chinese characters, elicited significant N250 and N400, with a similar time course. Compared with the Chinese character group, the functional icon group elicited more negative activity in the frontal and some parietal‐occipital regions, indicating that the functional icon required more cognitive inhibitory resources to resist interference stimuli. Moreover, the inhibition effect induced by audio–visual interference with the same semantics was significantly lower than that of opposite semantics and even lower than that of single‐sensory interference. The findings offered physiological evidence for the inhibition effect induced by audio–visual semantic interference in digital interfaces and proposed design principles for the interface information of human–machine systems.
Proteomic exploration of potential blood biomarkers in haemophilic arthropathy
Authors: Kalebota Nataša , Novak Ruđer , Hrkač Stela , Perić Porin , Salai Grgur , Močibob Marko , Pranjić Marija , Zdráhal Zbyněk , Pustka Václav , Žerjavić Nadica Laktašić , Milošević Milan , Vodanović Marijo , Šalek Silva Zupančić , Grgurević Lovorka 
Published: September 2024

AbstractBackground and AimsThe pathophysiology of haemophilic arthropathy (HA) is complex and largely undefined. Proteomic analyses provide insights into the intricate mechanisms of the HA.Our study aimed to identify differentially expressed proteins in relation to the severity of HA, explore their pathophysiological roles, and evaluate their potential as HA biomarkers.MethodsOur cross‐sectional observational study encompassed 30 HA patients and 15 healthy subjects. Plasma samples were pooled into three groups of 15 samples from those with severe haemophilic arthropathy (sHA), mild haemophilic arthropathy (mHA) and healthy controls. Proteomic analysis was performed using liquid chromatography‐mass spectrometry. The severity of HA was assessed using the World Federation of Haemophilia Physical Examination Score and ultrasonography following the Haemophilia Early Arthropathy Detection with Ultrasound (HEAD‐US) guidelines.ResultsA total of 788 proteins were identified, with 97% of the uniquely identified proteins being expressed in all analysed groups. We identified several up and downregulated proteins across the groups that were mainly related to inflammatory and immunity‐modulating processes, as well as joint degeneration. We highlighted ten proteins relevant for the development of HA: cathepsin G, endoplasmic reticulum aminopeptidase 2, S100‐A9, insulin‐like growth factor I, apolipoprotein (a), osteopontin, pregnancy zone protein, cartilage oligomeric matrix protein, CD44, and cadherin‐related family member 2.ConclusionOur analysis identified several proteins that shed further light on the distinctive pathogenesis of HA and could serve for biomarker research. However, these results need to be validated on a larger patient group.
Nusselt number and skin‐friction coefficients of a micropolar flow over a flat plate under constant wall temperature conditions in a porous medium
Authors: Maaitah Hussein , Quran Omar , Elayyan Mutaz , Mustafa Mohamad Y. , Duwairi Hamzeh M. 
Published: September 2024

AbstractThis study examines the forced convection of a micropolar fluid (MPF) flow across a vertical permeable plate inside a porous medium. A similar solution is derived for a scenario involving a constant surface temperature. The system of transformed governing equations is addressed by employing a finite‐difference method. Notably, a parametric analysis is conducted to demonstrate how the Prandtl number, micropolar parameters, Darcy number, inertia coefficient (ξ), skin friction (Cf), and Nusselt number (Nu) impact the system. The results are then presented graphically, while the physical aspects of the issue are assessed. Although a larger Nu produced a high wall heat transfer, the Cf values are decreased as ξ increases. The ξ also reduces the local Nu. Compared with Newtonian fluids, the MPF increases Cf and reduces the heat transfer rate. The outcomes are validated by comparing the current results with other related studies. The results of this study are useful for improving the efficiency of solar panels by enhancing their cooling rate. It is also found that increasing the inertia of MPF leads to an increase in the friction coefficient (Cf) while increasing porosity, microrotation parameter n and Fs decreases (Cf).
Effects of water quality and nitrogen on wheat productivity: Experimental and modelling study using the SALTMED model
Authors: Chauhdary Junaid Nawaz , Li Hong , Ragab Ragab , Hussain Zawar , Akhlaq Muhammad , Lakhiar Imran Ali 
Published: September 2024

AbstractThe effects of different water qualities and nitrogen doses need to be investigated for wheat growth to determine the optimal management strategy for sustaining wheat production potential to ensure human food security. Therefore, a 2‐year study (2020–2021 to 2021–2022) was conducted on wheat irrigated with different water qualities, including canal water (Ca), tubewell water (Tu) and mixed Ca‐Tu water (Mx), each fertilized with two nitrogen doses, that is, N75 = 75 kgN.ha−1 and N100 = 100 kgN.ha−1. Ca⨯N100 performed best, with 5.12 t.ha−1 grain yield, 11.60 t.ha−1 biomass, 102.83 cm plant height and 1.32 kg.m−3 water productivity. The best values of the root mean square error (RMSE), normalized root mean square error (NRMSE), coefficient of determination (R2) and coefficient of residual mass (CRM) were 0.11, 0.12, 0.93 and −0.004, respectively, for calibration and 0.13, 0.15, 0.87 and ±0.01, respectively, for validation of the SALTMED model. The scenario simulation was performed for additional levels of water salinity (electrical conductivity [EC] = 8 and 12 dS.m−1) and nitrogen doses (50, 125, 150 and 175 kgN.ha−1). The results revealed improvements in wheat grain yield of 107%, 16% and −6% at EC = 8 dS.m−1 and 125%, 31% and 5% at EC = 12 dS.m−1, while the improvements in biomass were 113%, 22% and −2% at EC = 8 dS.m−1 and 137%, 29% and 8% at EC = 12 dS.m−1 with increasing nitrogen doses from 50–125 kg.ha−1, 125–150 kg.ha−1 and 150–175 kg.ha−1, respectively. It is recommended that high‐quality water with the lowest possible EC and nitrogen applications of up to 150 kgN.ha−1 be adopted for wheat production in semi‐arid areas of Punjab, Pakistan.
An inherited TBX3 alteration in a prenatal case of ulnar‐mammary syndrome: Clinical assessment and functional characterization in Drosophila melanogaster
Authors: Bottillo Irene , D'Alessandro Andrea , Ciccone Maria Pia , Cestra Gianluca , Di Giacomo Gianluca , Silvestri Evelina , Castori Marco , Brancati Francesco , Lenzi Andrea , Paiardini Alessandro , Majore Silvia , Cenci Giovanni , Grammatico Paola 
Published: September 2024

AbstractUlnar mammary syndrome (UMS) results from heterozygous variants in the TBX3 gene and impacts limb, tooth, hair, apocrine gland, and genitalia development. The expressivity of UMS is highly variable with no established genotype–phenotype correlations. TBX3 belongs to the Tbx gene family, which encodes transcription factors characterized by the presence of a T‐box DNA‐binding domain. We describe a fetus exhibiting severe upper limb defects and harboring the novel TBX3:c.400 C > T (p.P134S) variant inherited from the mother who remained clinically misdiagnosed until prenatal diagnosis. Literature revision was conducted to uncover the TBX3 clinical and mutational spectrum. Moreover, we generated a Drosophila humanized model for TBX3 to study the developmental consequences of the p.P134S as well as of other variants targeting different regions of the protein.Phenotypic analysis in flies, coupled with in silico modeling on the TBX3 variants, suggested that the c.400 C > T is UMS‐causing and impacts TBX3 localization. Comparative analyses of the fly phenotypes caused by the expression of all variants, demonstrated that missense changes in the T‐box domain affect more significantly TBX3 activity than variants outside this domain. To improve the clinicians' recognition of UMS, we estimated the frequency of the main clinical features of the disease. Core features often present pre‐pubertally include defects of the ulna and/or of ulnar ray, hypoplastic nipples and/or areolas and, less frequently, genitalia anomalies in young males. These results enhance our understanding of the molecular basis and the clinical spectrum of UMS, shedding light on the functional consequences of TBX3 variants in a developmental context.