bluuebunny/crossref_metadata_2025_split huggingface dataset:
Preparation of Ni2P with a Surface Nickel Phosphosulfide Layer by Reduction of Mixtures of Na4P2S6 and NiCl2
Authors: He Ming , Li Tiefu , Li Xiang , Wang Anjie , Sheng Qiang , Shang Sensen , Yu Zhiqing 
Published: June 2024

AbstractA series of physical mixtures of Na4P2S6 and NiCl2 (P‐NiPS(x), where x represents the P/Ni molar ratio) were employed for the preparation of Ni2P. For comparison, a sulfur‐containing Ni2P catalyst (Ni2P‐S) and a sulfur‐free Ni2P catalyst (Ni2P‐TPR) were prepared by reduction of Ni2P2S6 and a nickel phosphate precursor, respectively. The reduction of the P‐NiPS(x) precursors with P/Ni ratios above 2/3 yielded Ni2P catalysts with a distinct nickel phosphosulfide layer (NiPS(x)), and the Ni2P phase started to form at ca. 200 °C. The reduction of Ni2P2S6 to Ni2P most likely follows a disproportionation mechanism. The P3+ species in Ni2P2S6 disproportionate to PH3 and P5+ during the reduction, and PH3 further reacts with nickel and sulfur species to form Ni2P and the surface nickel phosphosulfide layer. The sulfur atoms in the nickel phosphosulfide phase were in the form of S2−. The introduction of sulfur to Ni2P favored the hydrogenation pathway of the hydrodesulfurization (HDS) of dibenzothiophene (DBT), but hardly affected the direct desulfurization (DDS) pathway and inhibited the hydrogenation of biphenyl. The DDS pathway rate constants of DBT HDS over the Ni2P‐TPR and NiPS(x) catalysts were observed to increase linearly with the increase in their surface Ni atomic concentrations.
Microwave‐Assisted Ultrafast Synthesis of Bimetallic Nickel‐Cobalt Metal‐Organic Frameworks for Application in the Oxygen Evolution Reaction
Authors: Beglau Thi Hai Yen , Fei Yanyan , Janiak Christoph 
Published: June 2024

AbstractHerein, a series of monometallic Ni‐, Co‐ and Zn‐MOFs and bimetallic NiCo‐, NiZn‐ and CoZn‐MOFs of formula M2(BDC)2DABCO and (M,M’)2(BDC)2DABCO, respectively, (M, M’=metal) with the same pillar and layer linkers 1,4‐diazabicyclo[2.2.2]octane (DABCO) and benzene‐1,4‐dicarboxylate (BDC) were prepared through a fast microwave‐assisted thermal conversion synthesis method (MW) within only 12 min. In the bimetallic MOFs the ratio M:M’ was 4 : 1. The mono‐ and bimetallic MOFs were selected to systematically explore the catalytic‐activity of their derived metal oxide/hydroxides for the oxygen evolution reaction (OER). Among all tested bimetallic MOF‐derived catalysts, the NiCoMOF exhibits superior catalytic activity for the OER with the lowest overpotentials of 301 mV and Tafel slopes of 42 mV dec−1 on a rotating disk glassy carbon electrode (RD‐GCE) in 1 mol L−1 KOH electrolyte at a current density of 10 mA cm−2. In addition, NiCoMOF was insitu grown in just 25 min by the MW synthesis on the surface of nickel foam (NF) with, for example, a mass loading of 16.6 mgMOF/gNF, where overpotentials of 313 and 328 mV at current densities of 50 and 300 mA cm−2, respectively, were delivered and superior long‐term stability for practical OER application. The low Tafel slope of 27 mV dec−1, as well as a low reaction resistance from electrochemical impedance spectroscopy (EIS) measurement (Rfar=2 Ω), confirm the excellent OER performance of this NiCoMOF/NF composite. During the electrocatalytic processes or even before upon KOH pre‐treatment, the MOFs are transformed to the mixed‐metal hydroxide phase α‐/β‐M(OH)2 which presents the active species in the reactions (turnover frequency TOF=0.252 s−1 at an overpotential of 320 mV). Compared to the TOF from β‐M(OH)2 (0.002 s−1), our study demonstrates that a bimetallic MOF improves the electrocatalytic performance of the derived catalyst by giving an intimate and uniform mixture of the involved metals at the nanoscale.
Cobalt‐Catalyzed Allylic Alkylation at sp3‐Carbon Centers
Authors: Joseph Ebbin , Tunge Jon A. 
Published: June 2024

AbstractThe rising demand and financial costs of noble transition metal catalysts have emphasized the need for sustainable catalytic approaches. Over the past few years, base‐metal catalysts have emerged as ideal candidates to replace their noble‐metal counterparts because of their abundance and easiness of handling. Despite the significant advancements achieved with precious transition metals, earth‐abundant cobalt catalysts have emerged as efficient alternatives for allylic substitution reactions. In this review, allylic alkylations at sp3‐carbon centers mediated by cobalt will be discussed, with a special focus on the mechanistic features, scope, and limitations.
Optimizing drain depth and spacing to minimize nitrogen loss in southwest Punjab using DRAINMOD‐NII
Authors: Dar Mehraj U. Din , Singh J. P. 
Published: June 2024

AbstractThe DRAINMOD‐NII model was used to evaluate the water table behavior and nitrate movement using field data from the Thehri experimental field in Muktsar district, southwest Punjab, India. To optimize the drainage design parameters for efficient nitrogen management, a scenario analysis of water table depth, drain outflows, and nitrogen load was carried out for different drain depths and spacings. The rice–wheat cropping system was followed for 2 years, from 2018 to 2020. The conventional subsurface drainage system was installed in the study area. The recorded data consisted of daily drain outflows, water table depths, daily nitrate concentrations in the drain outflows, and relative crop yields. The DRAINMOD‐NII model was calibrated and validated for 2018–2019 and 2019–2020, respectively. The model's reliability was assessed by comparing the measured and predicted values of daily drain outflows, water table depth, daily nitrate loads, and relative crop yields during each season. A better agreement was found between the observed and simulated values. Root mean square error, Nash–Sutcliffe model efficiency, R2, and percentage bias values during the calibration period ranged from 1.76 to 7.5; 0.48 to 0.88; 0.70 to 1.00; and −6.04 to 5.02, respectively, for the recorded parameters. A similar statistical evaluation was also performed during the validation period. The scenario analysis of drain depth and spacing concluded that a depth of 1.3 m and spacing of 42 m could be optimal for better crop yield and lesser nitrogen losses. Hence DRAINMOD NII model is a tool for drainage systems design.
Role of epigenetic regulation on catecholamine synthesis in pheochromocytoma and paraganglioma
Authors: Kaplinsky Anna , Halperin Reut , Shlomai Gadi , Tirosh Amit 
Published: June 2024

AbstractIntroductionPheochromocytomas and paragangliomas (PPGLs) typically secrete catecholamines and their metabolites (metanephrines [MN] and normetanephrine [NMN]). Catecholamines are synthesized by several enzymes: phenylalanine hydroxylase (encoded by PAH), tyrosine hydroxylase (TH), aromatic L‐amino acid decarboxylase (DDC), dopamine β‐hydroxylase (DBH), and phenylethanolamine N‐methyltransferase (PNMT). MN/NMN secretion varies between anatomical and molecular subgroups. The aim of this study was to assess the correlation between DNA methylation of catecholamine synthesis genes and MN/NMN secretion.MethodsGene promoter methylation of PAH, TH, AADC, DBH, and PNMT were extracted and calculated based on publicly available data. Comparisons and correlation analysis were performed between MN ± NMN (MN/NMN), NMN only, and neither/unknown secretion patterns. Methylation levels and MN/NMN patterns were compared by three genetic alteration subgroups: pseudohypoxia (PH), kinase signaling (KS), and others.ResultsA total of 178 cases were included. Methylation of PAH CpGs negatively correlated with probability for MN/NMN secretion (p < .05 for all CpGs) and positively with NMN‐only secretion. NMN‐only secreting tumors had significantly higher promoter methylation of PAH, DBH, and PNMT compared with MN/NMN‐secreting tumors. MN/NMN‐secreting PPGLs had mainly KS alterations (52.1%), whereas NMN‐only PPGLs had PH alterations (41.9%). PPGLs in the PH versus KS group had gene promoter hypermethylation of PAH (p = .002), DBH (p = .02), and PNMT (p = .003).ConclusionsPromoter methylation of genes encoding catecholamine synthesis enzymes is strongly and inversely correlated with MN/NMN patterns in PPGLs. KS and PH‐related tumors have distinct methylation patterns. These results imply that methylation is a key regulatory mechanism of catecholamine synthesis in PPGLs.
First‐Principle Characterization of Structural, Electronic, and Optical Properties of Tin‐Halide Monomers
Authors: Schütt Freerk , Valencia Ana M. , Cocchi Caterina 
Published: June 2024

AbstractThe growing interest in tin‐halide semiconductors for photovoltaic applications demands in‐depth knowledge of the fundamental properties of their constituents, starting from the smallest monomers entering the initial stages of formation. In this first‐principles work based on time‐dependent density‐functional theory, we investigate the structural, electronic, and optical properties of tin‐halide molecules SnXn2−n, with
and X=Cl, Br, I, simulating these compounds in vacuo as well as in an implicit solvent. We find that structural properties are very sensitive to the halogen species while the charge distribution is also affected by stoichiometry. The ionicity of the Sn−X bond is confirmed by the Bader charge analysis albeit charge displacement plots point to more complex metal‐halide coordination. Particular focus is posed on the neutral molecules SnX2, for which electronic and optical properties are discussed in detail. Band gaps and absorption onset decrease with increasing size of the halogen species, and despite general common features, each molecule displays peculiar optical signatures. Our results are elaborated in the context of experimental and theoretical literature, including the more widely studied lead‐halide analogs, aiming to contribute with microscopic insight to a better understanding of tin‐halide perovskites.
Unique Multi‐Hetero‐Interface Engineering of Fe‐Doped Co‐LDH@MoS2‐Ni3S2 Nanoflower‐Based Electrocatalyst for Overall Water‐Splitting: An Experimental and Theoretical Investigation
Authors: Phadikar Ujjwal , Sanyal Gopal , Das Srijib , Kundu Aniruddha , Kuila Chinmoy , Murmu Naresh Chandra , Chakraborty Brahmananda , Kuila Tapas 
Published: June 2024

AbstractHerein, a self‐supported, robust, and noble‐metal‐free 3D hierarchical interface‐rich Fe‐doped Co‐LDH@MoS2‐Ni3S2/NF heterostructure electrocatalyst has been prepared through a controllable two‐step hydrothermal process. The resultant electrode shows low overpotential of ~95 mV for hydrogen evolution reaction (HER), ~220 mV for the oxygen evolution reaction (OER), and the two‐electrode system requires only a cell voltage of ~1.54 V at 10 mA cm−2 current density, respectively. Extensive ab initio calculations were carried out to find out the overpotential for HER, orbital interaction through the determination of electron density of states and quantification of charge transfer by Bader charge analysis. The computed overpotential matched closely with the experimental data. The superior HER performance of the tri‐layer is enhanced due to the charge transfer (1.7444 e) to Fe‐doped Co‐LDH from Ni3S2‐MoS2 hybrid. This research strategy paves an effective pathway for affordable green H2 production and future efficient non‐precious bifunctional electrocatalyst design for overall water electrolysis.
Expanding the Use of Benzothioxanthene Imides to Photochemistry: Eco‐Friendly Aerobic Oxidation of Sulfides to Sulfoxides
Authors: Serviou Stamatis K. , Gkizis Petros L. , Sánchez Darío Puchán , Plassais Nathan , Gohier Frédéric , Cabanetos Clement , Kokotos Christoforos G. 
Published: June 2024

AbstractThe sulfoxide moiety is one of the most commonly utilized groups in pharmaceutical and industrial chemistry. The need for sustainability and easy accessibility to sulfoxide moieties is deemed necessary, due to its ubiquity in natural products and potentially pharmaceutically active compounds. In this context, we report herein a sustainable, aerobic and environmentally friendly photochemical protocol based on the use of a benzothioxathene imide as the photocatalyst to selectively oxidize sulfides under mild irradiation (456 nm), in very low catalyst loading (0.01 mol %) and on water. In addition, to demonstrate the compatibility of our protocol with wide scope of substrates, the latter was successfully applied to the synthesis of the biologically‐active Sulforaphane and Modafinil.
Memristor‐based dual mode whole‐process Pavlov associative memory circuit
Authors: Wang Hongting , Yang Yan , Fu Qiang , Wang Dongqing 
Published: June 2024

AbstractPavlov associative memory experiment includes four laws: acquisition, extinction, generalization, and differentiation. The memristor synapses‐based Pavlov circuit is of great significance to the construction of neuromorphic computing system and the simulation of brain‐like function. However, few studies have been able to completely implement the whole process of Pavlov associative memory experiment. In this paper, a memristor‐based dual‐mode Pavlov whole‐process circuit is investigated and simulated; it includes the following: (1) the memristor‐based auditory neuron circuit and the visual neuron circuit are constructed to realize the learning and forgetting dual mode process of auditory and visual associative memory, respectively; (2) different from classic considering at mode switching time, the interaction between dual learning modes (the auditory learning and visual learning) is explored over a whole learning process; the whole process is proactive inhibition and retroactive inhibition in psychology; (3) different from traditional processes starting from a fixed input, a generalization and differentiation circuit is constructed to learn three similar stimulus input signals as parallel relationships and achieve the generalization and differentiation process starting from any input signal.
Roles of odorant receptors during olfactory glomerular map formation
Authors: Nakashima Ai , Takeuchi Haruki 
Published: June 2024

SummaryThe organization of the olfactory glomerular map involves the convergence of olfactory sensory neurons (OSNs) expressing the same odorant receptor (OR) into glomeruli in the olfactory bulb (OB). A remarkable feature of the olfactory glomerular map formation is that the identity of OR instructs the topography of the bulb, resulting in thousands of discrete glomeruli in mice. Several lines of evidence indicate that ORs control the expression levels of various kinds of transmembrane proteins to form glomeruli at appropriate regions of the OB. In this review, we will discuss how the OR identity is decoded by OSNs into gene expression through intracellular regulatory mechanisms.
Identification of Risk Factors for the Development of Diabetic Retinopathy Among Palestinian Adults With Type 2 Diabetes Mellitus: A Cross‐Sectional Study
Authors: Shrateh Oadi N. , Abdelhafez Mohammad , Ereqat Suheir , Dein Lana Naser El , Iriqat Salam 
Published: June 2024

ABSTRACTIntroductionAlthough risk factors linked to diabetic retinopathy (DR) among patients with Type 2 diabetes mellitus (T2DM) have been extensively studied globally, the specific determinants of these factors in relation to DR in Palestine are presently not well understood.MethodsThis retrospective cross‐sectional study included patients who underwent DR screening with a fundus camera (VersaCam a). The study included patients aged ≥18 with T2DM, excluding those with other types of diabetes or a history of malignancies. Univariable and multivariable logistic regressions were used to identify factors associated with DR.ResultsA total of 1163 patients with T2DM were included in this study. Of these, 211 (18.1%) patients were classified in the DR group, 761 (65.4%) in the no DR group and 191 (16.4%) were ungradable. Among the included patients, 434 (37.3%) were male. A secondary level of education or higher and a BMI ≥30 kg/m2, compared with <25 kg/m2, were independently and inversely associated with DR, with odds ratios (ORs) of 0.46 (p < 0.001) and 0.58 (p = 0.046), respectively. A 5‐year increase in the duration of T2DM correlated with 45% higher odds of having DR (p < 0.001). Patients with DR were more likely to have HbA1c >7%, be physically inactive and use insulin, with ORs of 1.63 (p = 0.02), 2.05 (p < 0.001) and 1.53 (p = 0.03), respectively. Age, gender, occupational status, hypertension and hyperlipidaemia were not independent predictors of DR (p < 0.05).ConclusionLonger duration of T2DM, HbA1c >7%, physical inactivity and insulin use were all independently associated with the presence of DR. Furthermore, a secondary or higher educational level and obesity demonstrated independent and inverse associations with the development of DR.
Application of nanotechnology in dairy desserts and ice cream formulation with the emphasize on textural, rheological, antimicrobial, and sensory properties
Authors: Aliabbasi Neda , Emam‐Djomeh Zahra 
Published: June 2024

AbstractNanotechnology has emerged as a promising approach for improving the texture, rheology, and antimicrobial aspects of dairy desserts and ice cream. This study presents an overview of how nanotechnology is applied in developing these dairy products, focusing on its impact on texture, flow characteristics, and antimicrobial properties. Furthermore, nanomaterials are crucial in enhancing sensory aspects like taste and overall consumer appeal. The integration of nanostructures in dairy products can modify the structural and functional characteristics of these products, leading to improvements in texture and being nutritious. Moreover, incorporation of nano materials in dairy products could enhance rheological properties by improving emulsion stability and consistency, modifying material viscosity to influence flow behavior, and easily interacting with other components in the product matrix, thereby impacting properties such as creaminess and mouthfeel. Antimicrobial nanomaterials with elevated surface‐to‐volume ratio. play a crucial role in preventing spoilage and ensuring product safety. The potential advantages and challenges linked to using nanotechnology in dairy desserts and ice cream are examined, highlighting the importance of further research in this evolving field.
Women's rugby for all: Toward an intersectional women's rugby research agenda
Authors: Mkumbuzi Nonhlanhla Sharon 
Published: June 2024

AbstractWomen rugby players are participating in the sport at the highest levels to date. However, despite this increase in participation, sports sciences and sports medicine/sports physiotherapy (SEMS) research output has not mirrored this increase. Females have hormonally mediated anatomical and physiological profiles, which may have implications for rugby performance, injury risk and rehabilitation outcomes. However, hormonal fluctuations and the physiological differences between the sexes are not the only contributors to sex‐related differences in the rugby experience. Rugby is a highly gendered environment, which operates within a hegemonic masculine norm and marginalises female and women athletes. Further, while women players in general are underrepresented in sports sciences and SEMS research, women rugby players and experts from ethnic minorities and the Global South are near invisible in the literature as they are marginalised on multiple fronts. Sports sciences and SEMS research should take an intersectional lens to investigate the joint relationship between the various sources of inequity in rugby. Intersectional research in women rugby players would encourage the conceptualisation and analysis of the complex social inequalities that the most marginalised women players and those who simultaneously negotiate multiple identities experience. Such data can better inform federation‐level interventions and policy changes to address the needs of historically marginalised player populations as our research portfolio will be more representative of the world's rugby population.
Ensuring data privacy in AI/ML implementation
Authors: Yang Eric , Beil Cheryl 
Published: June 2024

AbstractArtificial intelligence (AI) and machine learning (ML) have transformed the landscape of data management in higher education institutions, necessitating a critical evaluation of existing data privacy policies and practices. This research delves into the inadequacies of current frameworks in adapting to the swift evolution of Big Data. Student, faculty, and staff perspectives on data privacy are examined in terms of how their viewpoints influence university policies. Data privacy incidents at several universities are discussed to identify patterns and extract lessons learned. Recommendations and best practices for enhancing data privacy in the context of AI/ML implementation are discussed, with an emphasis on the need for policy reform and improved protocols to safeguard student privacy effectively. The integration of AI/ML in higher education must align with robust data privacy standards, enabling institutions to optimize teaching, learning, and administrative processes while safeguarding sensitive student information.Practical Takeaways
AI/ML advancements necessitate a critical review of data privacy policies in higher education to adapt to Big Data evolution.
The perspectives of students, faculty, and staff are crucial in shaping effective data privacy policies.
Analysis of data privacy incidents offers insights for policy reform and implementation of best practices.
Recommendations emphasize the importance of policy reform and robust protocols to protect student privacy amidst AI/ML integration, ensuring effective teaching, learning, and administrative processes.
Brexucabtagene autoleucel for relapsed or refractory mantle cell lymphoma in the United Kingdom: A real‐world intention‐to‐treat analysis
Authors: O'Reilly Maeve A. , Wilson William , Burns David , Kuhnl Andrea , Seymour Frances , Uttenthal Ben , Besley Caroline , Alajangi Rajesh , Creasey Thomas , Paneesha Shankara , Elliot Johnathon , Gonzalez Arias Carlos , Iyengar Sunil , Wilson Matthew R. , Delaney Alison , Rubio Lourdes , Lambert Jonathan , Begg Khalil , Boyle Stephen , Cheok Kathleen P. L. , Collins Graham P. , Roddie Claire , Johnson Rod , Sanderson Robin 
Published: June 2024

AbstractBrexucabtagene autoleucel (brexu‐cel) is an autologous CD19 CAR T‐cell product, approved for relapsed/refractory (r/r) mantle cell lymphoma (MCL). In ZUMA‐2, brexu‐cel demonstrated impressive responses in patients failing ≥2 lines, including a bruton's tyrosine kinase inhibitor, with an overall and complete response rate of 93% and 67%, respectively. Here, we report our real‐world intention‐to‐treat (ITT) outcomes for brexu‐cel in consecutive, prospectively approved patients, from 12 institutions in the United Kingdom between February 2021 and June 2023, with a focus on feasibility, efficacy, and tolerability. Of 119 approved, 104 underwent leukapheresis and 83 received a brexu‐cel infusion. Progressive disease (PD) and/or manufacturing (MF) were the most common reasons for failure to reach harvest and/or infusion. For infused patients, best overall and complete response rates were 87% and 81%, respectively. At a median follow‐up of 13.3 months, median progression‐free survival (PFS) for infused patients was 21 months (10.1–NA) with a 6‐ and 12‐month PFS of 82% (95% confidence interval [CI], 71–89) and 62% (95% CI, 49–73), respectively. ≥Grade 3 cytokine release syndrome and neurotoxicity occurred in 12% and 22%, respectively. On multivariate analysis, inferior PFS was associated with male sex, bulky disease, ECOG PS > 1 and previous MF. Cumulative incidence of non‐relapse mortality (NRM) was 6%, 15%, and 25% at 6, 12, and 24 months, respectively, and mostly attributable to infection. Outcomes for infused patients in the UK are comparable to ZUMA‐2 and other real‐world reports. However, ITT analysis highlights a significant dropout due to PD and/or MF. NRM events warrant further attention.