bluuebunny/crossref_metadata_2025_split huggingface dataset:
Full‐house nephropathy in antinuclear antibody‐negative systemic lupus erythematosus: A case report
Authors: Dhungana Reechashree , Bashyal Bibhav , Paudel Sagar , Shrestha Bibek , Jha Saket , Bhurtyal Nishan 
Published: July 2024

Key Clinical MessageAntinuclear antibody‐negative full‐house lupus nephritis though previously reported, is fairly uncommon. Some patients go on to develop antibodies later in the disease course. The presence of RO‐52 antibody in this case suggests an underlying immunological cause. Swift management based on strong clinical suspicion can be life‐saving to the patient.AbstractLupus nephritis (LN) is a serious complication of systemic lupus erythematosus (SLE) and is more likely to progress to end‐stage renal disease (ESRD). With the recent EULAR/ACR criteria mandating antinuclear antibody (ANA) positivity as an entry criterion, clinicians are faced with a diagnostic dilemma in diagnosing cases of seronegative SLE. We present the case of a 25‐year‐old female who presented with photosensitive malar rash, hair loss, oral ulcers, menorrhagia, and kidney dysfunction, suggestive of SLE. Her ANA tests were negative, raising doubts about the diagnosis. Biopsy was delayed owing to anemia and thrombocytopenia, and clinical judgment led to the patient being diagnosed with LN, with prompt treatment resulting in significant improvement. Renal biopsy subsequently confirmed the case as diffuse class IV LN with full‐house nephropathy. This case highlights the limitations of relying solely on ANA positivity in diagnosing LN and underscores the need for a comprehensive diagnostic approach for SLE that incorporates clinical features, immunological markers, and patient demographics. ANA‐negative SLE patients demand heightened clinical suspicion, especially when other diagnostic parameters align with the disease. Swift intervention with immunosuppressive therapy, as seen in this case, can be life‐saving.
Determination of Tetracaine and Oxymetazoline in Drugs and Saliva via Potentiometric Sensor Arrays Based on Fluoropolymer/Polyaniline Composites
Authors: Parshina Anna , Yelnikova Anastasia , Shimbareva Valeria , Komogorova Alla , Yurova Polina , Stenina Irina , Bobreshova Olga , Yaroslavtsev Andrey 
Published: July 2024

AbstractA growing interest in dental practice in intranasal anesthesia using tetracaine and oxymetazoline dictates the need for their simultaneous determination in combination drugs and human saliva. Potentiometric multisensory systems based on perfluorosulfonic acid membranes, including polyaniline‐modified ones, were developed for these purposes. A change in the distribution of the sensor sensitivity to the related analytes was achieved by variation of the conditions for concentration polarization at the membrane interface with a studied solution due to a change in the intrapore volume, nature, and availability of the sorption centers, as well as the hydrophilicity of the membrane surface that were specified by the conditions for their synthesis and subsequent hydrothermal treatment. Reversibility of the analyte sorption using the chosen conditions for regeneration provided long‐term stable work of both the sensors and the calibration equations established by multivariate linear regression. The membrane modification promoted their resistance to fouling. The relative errors of the simultaneous tetracaine and oxymetazoline determination in the combination drug solutions were no greater than 7% and 11%, while in the artificial saliva solutions, they were 15% and 17%, respectively, when an array of the cross‐sensitive sensors based on the composite membranes prepared by different methods was used. The analysis errors were reduced to 3%–6% when analyzing the drug and to 0.2%–6% when analyzing the artificial saliva if an array was organized with the sensors based on the membrane with the dopant and the membrane without it, due to the decreasing correlation between their responses.
Prediction of Flash Point of Materials Using Bayesian Kernel Machine Regression Based on Gaussian Processes With LASSO‐Like Spike‐and‐Slab Hyperprior
Authors: Jeong Keunhong , Hyun Nam Ji , Lee Seul , Koo Jahyun , Lee Jooyeon , Yu Donghyun , Jo Seongil , Kim Jaeoh 
Published: July 2024

ABSTRACTThe determination of flash points is a critical aspect of chemical safety, essential for assessing explosion hazards and fire risks associated with flammable solutions. With the advent of new chemical blends and the increasing complexity of chemical waste management, the need for accurate and reliable flash point prediction methods has become more pronounced. This study introduces a novel predictive approach using Bayesian kernel machine regression (BKMR) with Gaussian process priors, designed to meet the growing demand for precise flash point estimation in the context of chemical safety. The BKMR model, underpinned by Bayesian statistics, offers a comprehensive framework that not only quantifies prediction uncertainty but also enhances interpretability amidst experimental data variability. Our comparative analysis reveals that BKMR surpasses traditional predictive models, including support vector machines, kernel ridge regression, and Gaussian process regression, in terms of accuracy and reliability across multiple metrics. By elucidating the intricate interactions between molecular features and flash point properties, the BKMR model provides profound insights into the chemical dynamics that influence flash point determinations. This study signifies a methodological leap in flash point prediction, offering a valuable tool for chemical safety analysis and contributing to the development of safer chemical handling and storage practices.
Computer‐Aided Synthesis Planning (CASP) and Machine Learning: Optimizing Chemical Reaction Conditions
Authors: Han Yu , Deng Mingjing , Liu Ke , Chen Jia , Wang Yuting , Xu Yu‐Ning , Dian Longyang 
Published: July 2024

AbstractComputer‐aided synthesis planning (CASP) has garnered increasing attention in light of recent advancements in machine learning models. While the focus is on reverse synthesis or forward outcome prediction, optimizing reaction conditions remains a significant challenge. For datasets with multiple variables, the choice of descriptors and models is pivotal. This selection dictates the effective extraction of conditional features and the achievement of higher prediction accuracy. This review delineates the origins of data in conditional optimization, the criteria for descriptor selection, the response models, and the metrics for outcome evaluation, aiming to acquaint readers with the latest research trends and facilitate more informed research in this domain.
Elaborating the Fluorescence Regulation and Quenching Mechanism of Sulfur‐for‐Oxygen Replacement for Fluorophores
Authors: Tang Zhe , Zhou Panwang 
Published: July 2024

AbstractThio‐caged fluorophores can be effectively desulfurized into their oxygenated derivatives through visible light, thereby restoring the strong emission of fluorophores, and are applied in the field of live cell super‐resolution imaging. Herein, we theoretically investigated the reasons for the low fluorescence quantum yields of a series of thio‐caged fluorophores and the underlying reasons for the differences in fluorescence quantum yields of their oxygenated derivatives. The calculation results show that the S atom on the thiocarbonyl group is more likely to excite n electrons to form the nπ* state, which reduces the energy of the nπ* state and leads to fluorescence quenching. In contrast, the O atom on the carbonyl group is more likely to excite π electrons to form ππ* state, which is the main reason for restoring the strong emission of fluorophore. Meanwhile, the calculation results show that the difference of fluorescence intensity caused by oxygenated derivatives is determined by the number of the carbonyl group, which affects the vibronic coupling between ππ* and nπ* states and thereby leads to fluorescence quenching. These results can effectively reveal the fluorescence quenching mechanism of thio‐caged fluorophores and the luminescence mechanism of their oxygenated derivatives, and provide correct and guiding design strategies for the development of new thio‐caged fluorophores.
H+/X− Co‐Transport Driven by Azobenzene Containing Aromatic Amides
Authors: Malik Sameer Ahmad , Madhavan Nandita 
Published: July 2024

AbstractNatural ion‐transporters in cellular membranes play a critical role in maintaining cell homeostasis. Synthetic ion‐transporters are attractive model systems for understanding and addressing dysfunction of natural transporters. Herein, a simple amide derived from azobenzene and m‐aminobenzoic acid achieves photoregulated ion transport across lipid membranes. The amide forms pores or channels that selectively co‐transport H+/X− across the lipid membrane. Photoisomerization from the trans to cis form results in a 2‐fold increase in ion‐transport rates due to the higher proton affinity of the cis isomer.
Modeling the enablers of implementing green HRM practices: An ISM‐MICMAC approach
Authors: Ansari Fariya Akbar , Haque Syed Nadimul , Khan Shahbaz , Khan Waseem 
Published: July 2024

AbstractThe goal of this study is to identify the set of enablers that influence the implementation of green human resource management (GHRM) practices in the organization and understand mutual relationships among these enablers. The research used interpretive structural modeling (ISM), a method based on expert opinions. We recorded the opinions of experienced academicians and human resources professionals with the aim of drawing conclusions. The driving and dependent power of these factors has also been investigated using Matrice d'impacts croises multiplication applique a classement (MICMAC) analysis. This research work reveals that the primary enabler of GHRM is green government policy, specifically environmental policies, with green leadership, top management support, and green health and safety following closely behind. Green recruitment and selection, green organization culture, green brand image, and green training and development have all reached the third level of the hierarchy. The findings could aid in gaining a comprehensive understanding of these essential enablers, their contextual factors, and the cause‐and‐effect relationships involved in implementing GHRM practices in any given organization. While designing the GHRM implementation strategy, organizations should place emphasis on all the enablers to improve organizational performance.
Editorial: New perspectives on curriculum: Rethinking collaborative enquiry and teachers' professional learning
Authors: Pountney Richard , Baumfield Vivienne , Czerniawski Gerry , Seleznyov Sarah 
Published: July 2024

AbstractIn BERA's 50th anniversary, this special issue of the Curriculum Journal recognises the debt to the work of Lawrence Stenhouse, former BERA President, and founder of the British Curriculum Forum (BCF), and his influence on teachers' work in researching and developing the curriculum. Papers in this issue address what Stenhouse called the central problem of evidence‐informed practice: ‘the gap between our ideas and our aspirations and our attempts to operationalise them’ (Stenhouse, 1975, 2–3). Stenhouse's legacy for curriculum models and thinking, both within the four home countries and internationally, highlights the methodologies and theoretical perspectives that inform teachers as researchers and how we understand and evaluate such frames of reference. Approaches to involving teachers as researchers examined in this collection resonate with BERA's strategic plan to build on its links with practitioners, set in the context of BCF and its work to support teachers' curriculum research.
Dynamic and efficient resource allocation for 5G end‐to‐end network slicing: A multi‐agent deep reinforcement learning approach
Authors: Asim Ejaz Muhammad , Wu Guowei , Iqbal Tahir 
Published: July 2024

SummaryThe rapid evolution of user equipment (UE) and 5G networks drives significant transformations, bringing technology closer to end‐users. Managing resources in densely crowded areas such as airports, train stations, and bus terminals poses challenges due to diverse user demands. Integrating mobile edge computing (MEC) and network function virtualization (NFV) becomes vital when the service provider's (SP) primary goal is maximizing profitability while maintaining service level agreement (SLA). Considering these challenges, our study addresses an online resource allocation problem in an MEC network where computing resources are limited, and the SP aims to boost profit by securely admitting more UE requests at each time slot. Each UE request arrival rate is unknown, and the requirement is specific resources with minimum cost and delay. The optimization problem objective is achieved by allocating resources to requests at the MEC network in appropriate cloudlets, utilizing abandoned instances, reutilizing idle and soft slice instances to shorten delay and reduce costs, and immediately scaling inappropriate instances, thus minimizing the instantiation of new instances. This paper proposes a deep reinforcement learning (DRL) method for request prediction and resource allocation to mitigate unnecessary resource waste. Simulation results demonstrate that the proposed approach effectively accepts network slice requests to maximize profit by leveraging resource availability, reutilizing instantiated resources, and upholding goodwill and SLA. Through extensive simulations, we show that our proposed DRL‐based approach outperforms other state‐of‐the‐art techniques, namely, MaxSR, DQN, and DDPG, by 76%, 33%, and 23%, respectively.
Metabolism study of 3‐chloromethcathinone (3‐CMC) by dried blood spot (DBS) sampling after controlled administration using a murine model
Authors: Mestria Serena , Odoardi Sara , Valentini Valeria , Corli Giorgia , Bassi Marta , Marti Matteo , Strano‐Rossi Sabina 
Published: July 2024

AbstractThe metabolism of 3‐chloromethcathinone (3‐CMC) was studied after controlled administration in a murine model using the dried blood spot (DBS) technique for the sampling, storage and purification of blood samples. Liquid chromatography–high‐resolution mass spectrometry (LC‐HRMS) was used for the identification of metabolites and investigation of their fragmentation pattern. Subsequently, a liquid chromatography–tandem mass spectrometry (LC‐MS/MS) method was developed for their identification and 3‐CMC quantification in routine workload. The main metabolites identified were two stereoisomers of dihydro‐CMC, N‐demethyl‐CMC, and dihydro‐N‐demethyl‐CMC. The stability of 3‐CMC and of its metabolites deposited on DBS was evaluated by replicate analyses after 30, 50, and 90 days, demonstrating a decrease in concentration. It was more pronounced for 3‐CMC, with −67% and −82% percentage deviation from the initial concentrations, and for N‐demethyl 3‐CMC (decrease comprised between −48% and −88%) than for the di‐hydro metabolites, ranging from −5% to −37%. Regardless, all of them were detectable till 90 days after deposition as DBS. The possibility of identifying 3‐CMC and its metabolites with high sensitivity is an invaluable tool for the diagnosis of exposure to the substance, also in low doses or after some hours, and for various applications in clinical and forensic toxicology, such as driving under the influence, drug‐facilitated crimes, and addiction to intoxications. DBS demonstrated to be a reliable technique for the sampling, storage, and purification of the blood specimen for 3‐CMC and metabolite detection.
Prolinol‐Derived Phenoxy‐Amidine Titanium Complexes in Asymmetric Silylcyanation of Aldehydes
Authors: Vaillant‐Coindard Valentin , Bayardon Jérôme , Rousselin Yoann , Malacea‐Kabbara Raluca , Pouzens Jean‐Thomas , Fleurat‐Lessard Paul , Le Gendre Pierre 
Published: July 2024

AbstractThree new tridentate phenoxy‐amidine ligands (FA) have been prepared via the ring‐opening of benzoxazole by 2‐(methylamino)ethanol, L‐prolinol and L‐diphenylprolinol. Coordination studies of these FA ligands with Ti have led to the synthesis of the complexes (L1–L3)Ti(OiPr)2 (1 a–3 a) and (L1–L3)TiCl2(thf) (1 b–3 b). The solid state structures of the dichlorido FA−Ti complexes revealed a distorted octahedral geometry around the metallic centre provided by the FA ligand in mer‐fashion, the two residual chloro ligands in cis arrangement and a THF molecule. The chiral Ti‐FA complexes were shown to promote the asymmetric silylcyanation reaction. With benzaldehyde as substrate, the best catalyst was the dichlorido Ti complex 3 b with a diphenylprolinol in the ligand backbone. It afforded the cyanhydrine with 68 % conversion and 74 % ee after 24 h in DCM at –20 °C. The diisopropoxy Ti complex 3 a was remarkably active with pivalaldehyde as substrate, yielding the cyanosilylated product with 99 % conversion and 61 % ee after only 30 min at −60 °C.
Synthesis, Structure, and Reactivity of Ruthenium‐Indane Complexes with Diphosphine Ligand
Authors: Itazaki Masumi , Kitani Natsumi , Dobashi Yukako , Okabayashi Kento , Nakazawa Hiroshi , Moriuchi Toshiyuki 
Published: July 2024

AbstractRuthenium‐indane complex, fac‐[Ru(NCMe)3(CO)2(InCl3)] 1Cl reacted with 0.5 equiv. of dppe/dppp to afford dinuclear ruthenium‐indane complexes linked by diphosphine ligand, [{Ru(NCMe)2(CO)2(InCl3)}2{μ2‐Ph2P(CH2)nPPh2}] (n=2: 3, 3: 4). On the other hand, the reaction of fac‐[Ru(NCMe)3(CO)2(InCl3)] 1Cl with 1 equiv. of dppp afforded the corresponding chelate ruthenium(0) indane complex, [Ru(NCMe)(CO)2(InCl3)(dppp)] 5. In the case of dppm, a chelate complex [Ru(NCMe)(CO)2(InCl3)(dppm)] 6 was formed via the dinuclear Ru complex [{Ru(NCMe)2(CO)2(InCl3)}2(μ2‐dppm)]. Complexes 1Cl, 5, and 6 showed a catalytic activity for double‐hydrosilylation of MeCN. Complexes 3–6 were fully characterized using NMR measurements, elemental analyses, and the structures of 1Cl, 3, 5, and 6 were determined by X‐ray crystallography.
Exploring Interrupted Nazarov Cyclizations Using Tethered Sulfonamide Nucleophiles: Insights into Capture Pathways
Authors: Milosavljevic Aleksa , Hernandez Jackson J. , Zybura Patrycia K. , Frontier Alison J. 
Published: July 2024

AbstractThis manuscript describes a study of diverse reaction outcomes that stem from the ionization of aza‐alkynyl‐Prins adducts. Experimental results have demonstrated unexpected behavior in the nitrogen‐containing systems compared to the analogous oxygen derivatives derived from oxa‐Prins/halo‐Nazarov sequences. In‐depth experimental studies and computational analysis revealed an intricate mechanism involving competing halo‐Nazarov and imino‐Nazarov pathways. These findings further elucidate the reaction chemistry of 3‐halo‐pentadienyl cation intermediates, and expand their utility in synthetic transformations.
Regioselective Decarboxylative Aromatization of Benzonorcaradienes to Substituted 1‐Acylmethyl‐4‐Arylnaphthalenes
Authors: Gong Xinchi , Bu Shixuan , Lei Siling , Bi Hongyan , Huang Jianfeng , Wang Sunewang R. 
Published: July 2024

AbstractTf2NH‐mediated decarboxylative dearomatization reaction of benzonorcaradiene γ‐ketoacids, in situ generated by intramolecular alkenylation of alkynylcyclopropane γ‐ketoacids or their tert‐butyl esters, has been described for regioselective synthesis of polyfunctionalized 1‐acylmethyl‐4‐arylnaphthalenes.
Does (dis)agreement reflect beliefs? An analysis of advocacy coalitions in Swiss pesticide policy
Authors: Wiget Milena 
Published: July 2024

AbstractAgricultural pesticide use is a wicked sustainability challenge: Trade‐offs exist between health, environmental, agro‐economic, and socio‐political objectives. Various actors involved have diverse beliefs regarding these trade‐offs and policies to address the challenge. But to what extent does the agreement or disagreement between actors reflect belief similarities or differences, and thus, the formation of advocacy coalitions? To answer this question, the study draws on the advocacy coalition framework and investigates data from 54 key actors in the case of Swiss pesticide policy. The study explores the relationship between the actors' (dis)agreement relations and their beliefs using Random Forests. Coalitions are identified through block modeling and beliefs based on multi‐attribute value theory. The study shows that the two relations are a good proxy for identifying coalitions with conflict lines concerning beliefs and presents an approach to exploring ideological reasons behind (dis)agreement relations that supports identifying conflicting beliefs relevant to future policy solutions.
Study on the influence of vertical stress difference coefficient on fracture characteristics of shale under high stress
Authors: Chang Xin , Qiu Guozhou , Li Jing , Guo Yintong , Hu Zhiwen , Yang Hanzhi , Zhang Xinao , Liu Yongjiang 
Published: July 2024

AbstractTo study the effect of vertical stress difference coefficient on fracture characteristics of shale fracturing, high stress true triaxial hydraulic fracturing test was carried out. By analyzing the profile after fracturing, it was found that the area of hydraulic fracture increased with the increase of vertical stress difference coefficient, and the probability of shear fracture will increase when the stress difference coefficient was high. A high vertical stress differential coefficient exerts a strong control over the direction of crack propagation, while a low vertical stress difference coefficient is beneficial to improve the roughness of hydraulic fracture surface and promote the formation of complex fracture network. By analyzing the pump pressure curves of different tests, it was found that with the increase of vertical stress difference coefficient, the formation and expansion of hydraulic fractures were more difficult. The surface characteristics of hydraulic fractures were quantified based on three‐dimensional topography scanning technology, combined with fractal dimension and fracture area calculation method, the results showed that with the increase of vertical stress difference coefficient, the fractal dimension and fracture area decreased. Since shale is stratified, and the transformation of reservoir is mainly reflected in the enhancement of fracture complexity through tensile failure, Xsite discrete grid method was used to study the influence of fracture propagation behavior with different bedding strengths. The results showed that when the bedding tensile strength was high, hydraulic fractures were easy to pass through the bedding, and when the bedding tensile strength was low, hydraulic fractures were easy to be captured by natural fractures. In addition, tensile cracks were easy to form when the tensile strength of bedding was low, shear cracks were easy to form when the strength of bedding was high, and the fracture volume was larger when the strength of bedding was low. This study provides a theoretical basis for hydraulic fracturing in engineering.