bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nanophotosensitizing through Space Charge Transfer Assemblies of Pentacenequinone Derivative for ‘Metal‐free’ Photoamidation Reactions
Authors: Kaur Kulwinder , Kaur Harpreet , Sharma Rajat , Kumar Sood Ashwani , Kumar Manoj , Bhalla Vandana 
Published: January 2024

AbstractThe present study demonstrates the influence of small portion (20 %) of organic co‐solvent (DMSO/THF/ACN/MeOH) in mixed aqueous media (80 % water) in controlling the size, quantum yield and life time of the through space charge transfer assemblies (TSCT) of pentacenequinone derivative (TPy‐PCQ‐TPy). Among various solvent systems [H2O : DMSO (8 : 2), H2O : THF (8 : 2), H2O : ACN (8 : 2) and H2O : MeOH (8 : 2)] examined, highly emissive (Φf=12 %) and nano‐sized assemblies having long life time (3.11 ns) were formed in H2O : DMSO (8 : 2) solvent system. The solvent dependent differences in the size and excited state properties of TPy‐PCQ‐TPy assemblies are reflected in their photosensitizing behaviour in different solvent systems. Backed by excellent photosensitizing properties, TPy‐PCQ‐TPy assemblies smoothly catalyse the photoamidation reactions between unactivated/activated aldehydes and secondary amine under mild reaction conditions (visible light irradiation, aerial atmosphere, room temperature) in H2O : DMSO (8 : 2) solvent mixture. The as prepared assemblies of TPy‐PCQ‐TPy also exhibit high potential to catalyse the oxidation of benzyl alcohols to aromatic aldehydes, thus, generating a possibility to use aromatic alcohols as the starting material in photoamidation reactions. The real time application of TSCT assemblies has also been demonstrated in gram scale transformation of aromatic aldehydes to aromatic amides and photooxidation of benzyl alcohol to aromatic aldehyde.
Mental wellbeing among higher education students in England during the pandemic: A longitudinal study of COVID‐19 experiences, social connectedness and greenspace use
Authors: Lemyre Anaïs , Chrisinger Benjamin W. , Palmer‐Cooper Emma , Messina Jane P. 
Published: January 2024

AbstractThe COVID‐19 pandemic control measures substantially impacted the life of university students in the UK. While multiple studies investigated early stages of the pandemic, focusing on risk factors for depression and anxiety, fewer studies assessed later phases of the pandemic or examined positive protective factors for mental wellbeing. Our longitudinal study investigated changes and associations between COVID‐19 experiences, lifestyle behaviours, social connectedness and mental wellbeing in the second year of the pandemic. The validated Warwick–Edinburgh Mental Wellbeing Scale was used to measure the primary outcome mental wellbeing. Self‐reported data from 161 university students (18–35‐year‐old) in England was obtained. Data collection took place across two time points with contrasting COVID‐19 epidemiological and countermeasure attributes. T1 occurred in the spring of 2021, during the tail end of the third national lockdown when indoor household mixing was prohibited and vaccination rates were low among 18–35 year olds. T2 took place 6 months later, in the autumn of 2021, when restrictions had ended and vaccination rates were high. Within‐participant changes in students showed that mental wellbeing significantly improved over 6 months, suggesting positive adjustment. Fear of COVID‐19 and engagement in COVID‐19 protective behaviours significantly decreased as pandemic restrictions eased. Physical activity levels were high and did not change over time, while greenspace visits significantly diminished. Social support remained the same and group membership significantly increased over time. Hierarchal regressions revealed that social support was the most critical contributor to mental wellbeing. We discuss lessons for mental wellbeing promotion strategies: encouraging the use of greenspace as locations for distanced social interaction and physical activity in times of lockdown constraints.
Pharmacokinetics, absolute bioavailability, and tissue distribution of WJ‐14, a novel N‐methyl‐d‐aspartate receptor antagonist, in rats by liquid chromatography–tandem mass spectrometry
Authors: Huang Weiyin , Zhang Yan , Yang Lishou , Zhang Yiwen , Cheng Lei , Deng Yan , Wu Xinyu , Wang Tingting , Yang Xiaosheng , Ye Linhu 
Published: January 2024

AbstractTo circumvent the limitations of current antidepressants, WJ‐14, a novel N‐methyl‐d‐aspartate receptor antagonist, was synthesized and demonstrated to have remarkable efficiency in the treatment of depression. To illustrate the pharmacokinetics, absolute bioavailability, and tissue distribution of WJ‐14 in rats, a rapid and sensitive liquid chromatography–tandem mass spectrometry–based analytical method was developed and validated for the separation and detection of WJ‐14 in both plasma and tissue samples. After oral administration, WJ‐14 was rapidly absorbed into the blood with time to reach the maximum plasma concentration (Tmax) within 0.28 h and quickly eliminated with clearance (Cl) exceeding 6.80 L/h/kg and elimination half‐life (t1/2) within 2.69 h. No obvious accumulation was found with mean residencetime (MRT) within 4.10 h. Tissue distribution revealed that WJ‐14 was extensively distributed in the main tissues of rats, and massive amounts of WJ‐14 were distributed in the liver. Extensive distribution and quick elimination led to extremely low absolute bioavailability of WJ‐14 (1.91% of 8.33 mg/kg and 3.30% of 24.99 mg/kg). WJ‐14 was detected in the brain only 0.083 h after oral administration, which is crucial for a rapid‐onset antidepressant candidate. In addition, WJ‐14 likely exhibited a non‐linear pharmacokinetic process at dosages of 8.33 and 24.99 mg/kg. The findings may provide valuable information for subsequent studies on WJ‐14.
Enhancing circular economy practices through the adoption of digital technologies
Authors: Carlos Ricardo Luiz , de Souza Elieber Bragatti , Mattos Claudia A. 
Published: January 2024

AbstractIn transitioning from a linear economy model to a circular business, digital technologies can help manage the flow of restorative and regenerative resources. In this context, the present study aims to evaluate the contribution of digital technologies, such as the internet of things (IoT), Big Data and Blockchain in the execution of circular economy (CE) practices and what mechanisms companies are adopting to integrate digital technologies into the circular context. The research method consists of an exploratory case study with a qualitative approach. Two prominent companies took part in the study. The results indicate benefits highlighted by companies, contemplate that Big Data analysis has improved performance in data processing and management, IoT has added monitoring and traceability to companies' packaging, thus bringing efficiency to recycling, recovery, reuse and disposal, and the Blockchain provides traceability, security and reliability for the implemented practice. This study contributes by exploring the factors that will help explain the mechanism for implementing CE practices. The present study integrates two dimensions (i.e., CE and digital technology). In doing so, it expands previous studies on CE practices by adopting digital technologies. As a practical contribution, the companies in the study understood that integration with startups benefits the development of projects. In addition to innovative proposals, they present digital technologies as management solutions for implementing CE practices.
Is it worth having more female managers? A portfolio risk perspective from the global microfinance industry
Authors: Hossain Md Imran , Mia Md Aslam 
Published: January 2024

AbstractPromoting gender diversity at different organizational levels remains one of the hotly debated issues in recent years. Motivated by the paucity of research in this area, our study aims to investigate the impact of female managers on the credit risk of microfinance institutions (MFIs). We have collected data from 1004 unique MFIs across 96 countries, covering the period of 2010 to 2018, using the World Bank Mix Market data catalog. The data were then analyzed using several conventional tools and techniques, including endogeneity‐corrected estimators. The findings revealed that the presence of female managers lowers the credit risk of MFIs. The result mostly remains consistent and robust across different techniques and proxies. Therefore, promoting gender diversity at the managerial level could promote the long‐term sustainability of MFIs.
Recent Advances for Seawater Hydrogen Evolution
Authors: Zhang Dan , Shi Yue , Yin Jiao , Lai Jianping 
Published: January 2024

AbstractHydrogen production from electrolysis of seawater is considered one of the most promising endeavors. However, the complexity of the seawater environment (corrosion‐prone, slow kinetics, and side reactions such as precipitation generation) leaves much room for progress in research on efficient and stable catalysts. In recent years, in order to improve the technology of hydrogen production from electrolytic seawater, scientists have focused on the preparation of catalysts and the design of electrolytes, which has resulted in important progress. In order to further understand the current research status and development prospects of seawater hydrogen evolution reaction (HER), this article summarizes the general design rules for electrocatalysts and electrolytes in seawater HER in recent years. For structure modulation, the effects of catalyst modulation strategies such as heterostructures, elemental doping, manufacturing defects, morphology engineering and others on performance enhancement are highlighted. Overall design guidelines are summarized for the electrolyte and directions for future in‐depth exploration are proposed with a view to the early realization of seawater hydrogen production on an industrial scale.
Recent Advances in the Denitrogenative Annulation Reactions of 1,2,3‐Thiadiazoles
Authors: Tokareva Marina A. , Glukhareva Tatiana V. , Keaveney Sinead T. 
Published: January 2024

Abstract1,2,3‐Thiadiazoles exhibit versatile reactivity due to their ability to undergo ring cleavage, forming α‐diazothione species through a Dimroth‐type equilibrium. Denitrogenation of the α‐diazothione, induced by high temperature, irradiation, or strong bases, allows generation of a wide range of reactive intermediates. Since 2016, the transition‐metal‐catalyzed denitrogenative transannulation of 1,2,3‐thiadiazoles has garnered significant attention as a promising approach to constructing diverse heterocyclic scaffolds. This review focuses on the denitrogenative reactions of 1,2,3‐thiadiazoles, particularly highlighting the novel rhodium‐catalyzed denitrogenative transannulation transformations along with their mechanisms.
Bacteria at Work – Experimental and Theoretical Studies Reveal the Catalytic Mechanism of Ectoine Synthase
Authors: Andrys‐Olek Justyna , Kluza Anna , Tataruch Mateusz , Heider Johann , Korecki Józef , Borowski Tomasz 
Published: January 2024

AbstractEctoine synthase (EctC) catalyses the ultimate step of ectoine biosynthesis, a kosmotropic compound produced as compatible solute by many bacteria and some archaea or eukaryotes. EctC is an Fe2+‐dependent homodimeric cytoplasmic protein. Using Mössbauer spectroscopy, molecular dynamics simulations and QM/MM calculations, we determined the most likely coordination number and geometry of the Fe2+ ion and proposed a mechanism of the EctC‐catalysed reaction. Most notably, we show that apart from the three amino acids binding to the iron ion (Glu57, Tyr84 and His92), one water molecule and one hydroxide ion are required as additional ligands for the reaction to occur. They fill the first coordination sphere of the Fe2+‐cofactor and act as critical proton donors and acceptors during the cyclization reaction.
FRET‐Amplified Singlet Oxygen Generation by Nanocomposites Comprising Ternary AgInS2/ZnS Quantum Dots and Molecular Photosensitizers
Authors: Oskolkova Tatiana O. , Matiushkina Anna A. , Borodina Lyubov' N. , Smirnova Ekaterina S. , Dadadzhanova Antonina I. , Sewid Fayza A. , Veniaminov Andrey V. , Moiseeva Ekaterina O. , Orlova Anna O. 
Published: January 2024

AbstractAntibacterial photodynamic therapy (a‐PDT) has emerged as a promising non‐invasive therapeutic modality that utilizes the combination of a photosensitive agent, molecular oxygen, and excitation light to generate reactive oxygen species (ROS), demonstrating remarkable activity against multidrug‐resistant bacterial infections. However, the effective use of conventional photosensitizers is significantly limited by a number of their shortcomings, namely, poor water solubility and low selectivity. Herein, we present a novel biocompatible water‐soluble nanocomposite based on hydrophobic tetraphenylporphyrin (TPP) molecules and hydrophilic ternary AgInS2/ZnS quantum dots incorporated into a chitosan matrix as an improved photosensitizer for a‐PDT. We demonstrated that TPP molecules could be successfully transferred into chitosan solution while remaining primarily in the form of monomers, which are capable of singlet oxygen generation. We performed a detailed analysis of the Förster resonance energy transfer (FRET) between quantum dots and TPP molecules within the nanocomposite and proposed the mechanism of the singlet oxygen efficiency enhancement via FRET.
Local feature matching and tracking optimization of machine VSLAM based on AG Sinkhorn
Authors: Pan Pan 
Published: January 2024

SummaryAt present, the visual Simultaneous localization and mapping method has a wide range of applications in mobile robots and unmanned driving. However, when the environment changes, the accuracy of the system drops sharply. Aiming at the low matching accuracy of local feature matching and tracking optimization in current visual simultaneous localization and mapping methods, the attention map neural network and Sinkhorn algorithm are used to extract and match the image features. Then, it improves the real‐time performance of the visual simultaneous localization and mapping system by local optimization of feature point matching, and proposes an optimization method for visual simultaneous localization and mapping in view of an end‐to‐end algorithm. The experiment illustrates that in the experimental comparison of HPatches View dataset, the Homography estimation was improved by 0.092, the matching accuracy was improved by 0.087, and the matching recall was improved by 0.038. In the experimental comparison of HPatches Illum dataset, the Homography estimation was improved by 0.015, the matching accuracy is improved by 0.076, and the matching recall was improved by 0.036. The local feature matching and tracking optimization method of the visual Simultaneous localization and mapping system through the attention map neural network and Sinkhorn algorithm can enhance the matching accuracy of local feature matching and tracking optimization in dynamic environment and under changing lighting conditions.
Simultaneous Electrochemical Detection of Dopamine and Uric Acid via Au@Cu‐Metal Organic Framework
Authors: Zhou Feng , Lim H. N. , Ibrahim I. , Endot N. A. , Malek E. A. , Gowthaman N. S. K. 
Published: January 2024

AbstractThe incorporation of noble metals with metal‐organic frameworks (MOFs) are conducive to the simultaneous electrochemical detection of analytes owing to multiple accessible reaction sites. Herein, Au@Cu‐metal organic framework (Au@Cu‐MOF) is successfully synthesized and modified as a screen‐printed carbon electrode (SPCE), which serves as an excellent electrocatalyst for the oxidation of dopamine (DA) and uric acid (UA). The sensor shows a linear range from 10 μM to 1000 μM, with sensitivity and detection limit of 0.231 μA μM−1 cm−2 and 3.40 μM for DA, and 0.275 μA μM−1 cm−2 and 10.36 μM for UA. Au@Cu‐MOF could realize the individual and simultaneous electrochemical sensing of DA and UA, with distinguishable oxidation peak potentials. Moreover, it exhibits reproducibility, repeatability, and stability. Ultimately, the sensor provides an avenue for an ultrasensitive label‐free electrochemical detection of DA and UA.
Colonic invasive adenocarcinoma with squamoid morules: A case report
Authors: Ishikawa Akira , Tanaka Hidenori , Yamashita Ken , Arihiro Koji , Oka Shiro , Shimomura Manabu , Ohdan Hideki 
Published: January 2024

AbstractColorectal adenomas with squamoid morules are rare; however, colorectal adenocarcinomas are even rarer. Herein, we present a case of colorectal adenocarcinoma with squamoid morules arising from the transverse colon. A 60‐year‐old Japanese man underwent a colonoscopy, and a Type 0‐Is polyp was detected in the transverse colon. The endoscopic findings suggested a high possibility of carcinoma invasion into the deep submucosa. However, endoscopic mucosal resection was performed due to the patient's preference. Histopathologically, the tumor cells mostly formed atypical glandular structures corresponding to adenocarcinomas. Solid nests were observed in parts of the tumor, composed of round, small to short spindles. Immunohistochemically, p63 was positive in some areas, CK20 was negative, and the Ki‐67 positive cell rate was almost zero, suggesting a squamoid morule. Based on the above findings, colorectal adenocarcinoma with a squamoid morule was diagnosed; only the fifth case was reported worldwide. Squamoid morules should be carefully differentiated from squamous components of adenosquamous carcinomas.
Transition‐Metal‐Free Alkylation of N‐Heterocycles with Nitriles via Heteroarylphosphonium Intermediates
Authors: Schömberg Fritz , Perić Milica , Vilotijevic Ivan 
Published: January 2024

AbstractHeteroarylphosphonium salts are easily accessible, versatile intermediates in functionalization of N‐heterocycles. Direct C−C bond formation by net substitution of the phosphine has so far required transition metal catalysts, the use of strongly basic reagents or redox catalysis. Here we describe a C−C bond formation in direct reactions of benzothiazol‐2‐yl‐phosphonium and pyridin‐4‐yl‐phosphonium salts and nitrile anions which, together with the direct synthesis of phosphonium salts from benzothiazoles and pyridines, constitutes an efficient and simple two‐step protocol for C−H functionalization of these heterocycles under mild conditions.
Risk of fibromyalgia following antibiotic prescriptions: A population‐based case–control study
Authors: Armstrong David , Dregan Alex , Ashworth Mark , White Patrick 
Published: January 2024

AbstractBackgroundThe health of the gut microbiome is now recognized to be an important component of the gut–brain axis which itself appears to be implicated in pain perception. Antibiotics are known to create dysbiosis in the microbiome, so whether fibromyalgia is more commonly diagnosed after antibiotic prescriptions provides a means of exploring the role of the microbiome in the experience of chronic pain.MethodsA case–control study was carried out using electronic health records collected in the UK's Clinical Practice Research Datalink (CPRD), a comprehensive database of primary care consultations. For each case of diagnosed fibromyalgia, three controls were identified and matched by age, gender and GP practice. The exposure variable was the number and timing of antibiotic prescriptions over previous years. The analysis involved adjusting for a wide range of co‐variates that might be possible confounders.ResultsA total of 44,674 cases of fibromyalgia were identified together with 133,513 controls. After adjusting for co‐variates, it was found that both the total number of prescriptions and their timing was associated with an FM diagnosis. For example, the quartile with the highest number of prescriptions and that with the longest exposure had a greater than three‐fold increase in FM diagnoses (number of prescriptions: odds ratio 3.92; 95% CIs: 3.71–4.13; exposure odds ratio 3.28; CIs: 3.13–3.43). Some antibiotics (such as tetracyclines and metronidazole) seemed to confer greater risk than others.ConclusionsThe results lend support for prior antibiotics being an important risk factor for a diagnosis of FM.SignificanceThis study shows an association between the volume as well as timing of prior antibiotic prescriptions and of a subsequent diagnosis of fibromyalgia in primary care.
Bayesian optimization algorithm‐based Gaussian process regression for in situ state of health prediction of minorly deformed lithium‐ion battery
Authors: Liu Qi , Bao Xubin , Guo Dandan , Li Ling 
Published: January 2024

AbstractAccurate on‐board state‐of‐health (SOH) prediction is crucial for lithium‐ion battery applications. This study presents an in situ prediction technique for minorly deformed battery SOH, utilizing a Gaussian process regression (GPR) model tuned by a Bayesian optimization algorithm. Unlike previous methods that interpret voltage–time data as incremental capacitance curves, our approach directly operates on raw voltage–time data. We apply gray relational analysis to select feature variables as inputs and train the Bayesian Gaussian process regression (BGPR) model using experimental data from batteries under different working conditions. To demonstrate the performance of the BGPR model, we compare it with stepwise linear regression, neural network, and Bayesian support vector machine (BSVM) models. The performance of these four models is evaluated using different performance indicators: mean absolute percentage error (MAPE), root‐mean‐squared percentage error (RMSPE), and coefficient of determination (R²). The results demonstrate that the BGPR model exhibits superior prediction performance with the lowest MAPE (0.11%), RMSPE (0.12%), and the highest R² (0.9915) for minorly deformed batteries. Furthermore, the BGPR model exhibits excellent robustness for SOH prediction of normal batteries under different conditions. This study provides an effective and robust method for accurate on‐board SOH prediction in lithium‐ion battery applications.