bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of Luminescent Copper Nanoparticles Using Couroupita guianensis Flower Extract: Evaluation of Antibacterial and Anticancer Activities
Authors: Saritha P. , Arunprakash S. , Srinivasan P. , Selvankumar T. , Aldawood Saad , Kim Woong , Velu Manikandan , Song Kwang Soup 
Published: October 2024

AbstractThe biosynthesis of nanoparticles is a crucial research area aimed at developing innovative, cost‐effective, and eco‐friendly synthesis techniques for various applications. Herein, we synthesized copper oxide nanoparticles (CuNPs) using Couroupita guianensis flower extract via a simple green synthesis method. These green CuNPs demonstrate promising antimicrobial activity and anticancer activity against A549 nonsmall cell lung cancer (NSCLC) cells. We comprehensively characterized the CuNPs using UV spectrum, XRD, FTIR, SEM, and EDS analyses. The antibacterial and anticancerous performance is attributed to their spherical‐like morphology, which enhances effective interaction with bacterial and cancer cells. Moreover, CuNPs proved effective in inactivating Escherichia coli, achieving 2%, 52%, and 99% inactivation at 0, 30, and 60 min, respectively, and Listeria monocytogenes, achieving 1%, 48%, and 98% inactivation at 0, 30, and 60 min, respectively, under visible light. Furthermore, the CuNPs exhibited significant anticancer activity against A549 NSCLC cells, achieving cell viability reductions of 10%, 30%, 50%, 70%, 83%, and 91% at concentrations of 25, 50, 100, 150, 200, and 250 μg/mL, respectively. The green synthesized CuNPs demonstrate their potential in biomedical applications.
Sensitive Detection and Cell Imaging of Ca2+ Based on a “Turn‐On” Schiff Base Fluorescent Probe
Authors: Hou Lingjie , Wang Linlin , Deng Chenhua , Jin Pengyue , Wen Chaochao , Zhang Wenjia , Liang Wenting 
Published: October 2024

ABSTRACTCa2+ ion as a second messenger in signaling pathway plays many vital roles in many biological phenomena. Thus, it is of significance for developing effective probes to detect Ca2+ ion specifically. Herein, a new Schiff base fluorescent probe FPH, fluorescein monoaldehyde (2‐aminomethylpyridine) hydrazone, was designed and synthesized to identify Ca2+ in DMSO aqueous solution. The probe FPH revealed significant responses to Ca2+ with a fluorescence enhancement at 540 nm, exhibiting an evident fluorescence change from ultraweak luminescence to bright green. Otherwise, the FPH displayed a good linear range of 0.67 × 10−6 to 3.33 × 10−6 mol/L with a lower detection limit at 7.02 × 10−8 mol/L. The probe FPH were further successfully utilized to detect Ca2+ in living cells by an increased bright green fluorescence.
Organizational sensemaking and environmental performance: A longitudinal study of publicly traded firms' sustainability reports
Authors: Pain Guillaume C. F. , Paquin Raymond L. , Tilleman Suzanne G. 
Published: October 2024

AbstractEnvironmental strategy research has often used organizational interpretation as a key lens for understanding how firms engage in sensemaking around natural environmental issues and environmental performance. This work has rarely empirically tested the proposed relationships of organizational interpretation in firms' sensemaking around environmental issues nor the relationship between firms' environmental sensemaking and environmental performance. We empirically test this relationship, capturing environmental sensemaking through computer‐aided text analysis (CATA) of published sustainability reports, and environmental performance with the Trucost environmental dataset. Mixed‐effects general linear modeling on a bespoke longitudinal dataset of 117 publicly traded companies from 2005 to 2018 reveals the three stages of the organization interpretation model of sensemaking—scanning, interpreting, and responding—align as expected. We also find firms' environmental scanning relates with year‐over‐year improvement in environmental performance, yet environmental interpreting correlates with worsening environmental performance. Additionally, larger firms and firms in industries with high carbon emissions gather more environmental data and exhibit more extensive environmental interpreting. This research provides insight for scholars by testing environmental sensemaking and exploring the boundary conditions of sensemaking and performance, and for practitioners and policymakers by offering a new framework for analyzing and interpreting sustainability reports and corporate environmental performance.
Weekly Image Guidance in Patients With Cervical Cancer Treated With Intensity‐Modulated Radiation Therapy: Results of a Large Cohort Study
Authors: Zeng Zheng , Wang Weiping , Yan Junfang , Liu Dingchao , Zhang Fuquan , Hu Ke 
Published: October 2024

ABSTRACTBackgroundImage guidance is recommended for patients undergoing intensity‐modulated radiation therapy (IMRT) for cervical cancer. In this study, we evaluated the feasibility of a weekly image guidance pattern and analyzed the long‐term outcomes in a large cohort of patients.MethodsThe study enrolled patients with Stage IB‐IVA cervical cancer who received definitive radiotherapy or concurrent chemoradiotherapy. IMRT was delivered at a dose of 50.4 Gy in 28 fractions, with weekly cone‐beam computed tomography (CBCT). Physicians advised patients on rectum and bladder preparation to help them prepare on nonimaging guidance days. When significant tumor regression was observed, a second computed tomography simulation and replanning were performed.ResultsThe median follow‐up periods were 63.4 months. The incidence rates of loco‐regional and distant failure were 9.9% and 13.6%. The 5‐year overall survival (OS), disease‐free survival (DFS), loco‐regional relapse‐free survival (LRFS), and distant metastasis‐free survival (DMFS) rates were 80.1%, 72.9%, 78.3%, and 74.8%, respectively. For patients with different stages, the 5‐year OS, DFS, LRFS, and DMFS rates were statistically significant. For patients with and without positive regional lymph nodes, the 5‐year OS, DFS, LRFS, and DMFS rates were 64.5% and 86.0%, 56.8% and 78.8%, 62.7% and 84.3%, and 58.8% and 81.0%, respectively. Multivariate analysis showed that age, histology, tumor size, cancer stage, pretreatment squamous cell carcinoma antigen level, and para‐aortic metastatic lymph nodes were independent prognostic factors of OS. Fifty‐six (4.0%) patients experienced late Grade 3/4 chronic toxicities.ConclusionsIMRT with weekly CBCT is an acceptable image guidance strategy in countries with limited medical resources.
Collaboration with clients to create journal notes: A mixed methods evaluation of a pilot intervention study in a municipality mental health services team
Authors: Myklebust Kjellaug K. , Hoemsnes Helene , Kvello Øyvind , Vatnar Solveig Karin Bø 
Published: October 2024

AbstractIntroductionThe purpose of this study was to evaluate an intervention designed to encourage therapists in a municipality mental health services team to collaborate with their clients when writing journal notes. The team was part of a low‐threshold mental health service for children, adolescents and their parents. The therapists offered individual therapeutic sessions with children, adolescents and parents, as well as family sessions. The therapists documented their encounters in the clients' electronic health records.MethodsThe study used a convergent mixed methods design. First, the quality and quantity of documented therapist–client interactions were measured before and after the intervention using the Scale for the Evaluation of Staff‐Patient Interactions in Progress Notes (SESPI). Cross‐tabulation and logistic regression analyses were used to examine potential differences in the recording of therapists' approaches before and after intervention. Second, we explored the therapists' experiences of participating in this project by conducting individual in‐depth interviews. Qualitative interviews were analysed by systematic text condensation. Finally, the quantitative results from assessing the journal notes were contextualised with the qualitative results from the interviews.ResultsThe number of journal notes describing therapist approach and client response increased by 25% points after the intervention. In the interviews, the therapists acknowledged the intervention's relevance to their practice. However, they invited only a limited number of clients to co‐create journal notes. The clients welcomed the invitation.ConclusionCollaborative documentation challenges established journal documentation practices and may strengthen the client's voice. This study provides suggestions for strengthening the intervention in the future full‐scale studies.
Training outcomes of a social determinants of mental health‐focused fieldwork course
Authors: Gantt‐Howrey Alexandra , Johnson Kaprea F. , Dockery Natese , Brookover Dana L. , Robins Lauren 
Published: October 2024

AbstractWe conducted a concurrent nested mixed‐methods exploration of counselor trainee outcomes of a social determinants of mental health (SDMH)‐focused fieldwork course. Seven trainees completed a pre‐/post‐course SDMH competence scale and nine weekly journal entries. Results of a paired samples t‐test and deductive content analysis suggest increased SDMH competence and efforts to learn about and address clients’ SDMH challenges throughout the semester. Implications for counselor training conclude.
CO2 Dynamics in a Flexible Metal‐Organic Framework with Gate‐Opening Phenomenon
Authors: Xu Jiabin , Zhang Wanli , Liu Jingyan , Zhong Jun , Sham Tsun‐Kong , Huang Yining 
Published: October 2024

AbstractAs a promising porous material for CO2 adsorption and storage, elastic layer‐structured metal‐organic framework‐11 (ELM‐11) has attracted significant attention owing to its distinct gate‐opening phenomenon. There is a sharp increase in CO2 uptake once reaching the gate‐opening threshold pressure. To better understand this gate‐opening mechanism, we investigated its transition process from the perspective of CO2 dynamics and its interaction with the framework via variable‐temperature 13C solid‐state nuclear magnetic resonance spectroscopy. Our findings revealed that during the gate‐opening process, CO2 is initially strongly adsorbed at one site when the gate only slightly opens, while two distinct types of CO2 molecules exist when the gate fully opens. 11B, 13C, and 19F magic‐angle spinning NMR, in conjunction with in‐situ XANES experiments, were also conducted to probe the location of adsorption sites.
The Changing Phases of Bromopentafluorobenzene
Authors: Bear Joseph C. , Cockcroft Jeremy K. 
Published: October 2024

AbstractAs part of a much larger study on non‐covalent interactions in binary adducts, we have explored the solid‐state structures of bromopentafluorobenzene (C6F5Br) using differential scanning calorimetry (DSC), variable‐temperature powder X‐ray diffraction (VT‐PXRD), and single‐crystal X‐ray diffraction (SXD). DSC data initially indicated a single solid‐state phase below the freezing point, but revealed additional weak transitions upon heating. The crystal structures of three solid‐state phases have been solved. The SXD data showed that phases I and IV are centrosymmetric, whilst phase II is polar. However, the structure of phase III remains elusive due to the changing phase behaviour of C6F5Br that is determined as much as by kinetics as thermodynamics. The results underline the need for multiple analytical techniques to study non‐covalent interactions and offer valuable data for refining computational models in crystal structure prediction and machine learning. A comparison with the iodinated counterpart is also made.
Electrochemical Oxidation of UV Filters: A First‐Principles Molecular Dynamics Study
Authors: Álvarez Luis , Frank Irmgard 
Published: October 2024

AbstractA theoretical model is proposed to study the oxidation mechanisms of the organic UV filters BP3 and BP4 during electrochemical water treatment utilizing Car‐Parrinello molecular dynamics. Factors such as the amount of solvent to be included and how to design the system with the least possible intervention are discussed. The proposed model consist of the optimization of the geometries by density functional theory methods, the equilibration of the structure immersed in a water box, the inclusion of the reactive species, and the analysis of the reaction energies of each reaction pathway. The ab‐initio molecular dynamics simulations lead to several products, and some trends can be identified, in accordance with the well‐known reactivity rules of organic chemistry. The products proposed in this work are intermediates in longer oxidative pathways.
A New Mechanism for Formation of Glycine from Glyoxylic Acid: the Aza‐Cannizzaro Reaction
Authors: Jarois Dean R. , Schimmelpfennig Lars E. , Gellman Samuel H. 
Published: October 2024

AbstractGlyoxylic acid and glycine are widely considered to have been important prebiotic building blocks. Several mechanistic routes have been previously examined for conversion of glyoxylic acid to glycine. Here we provide evidence for a new mechanistic path. Glycine is spontaneously formed from glyoxylic acid in ammonium‐rich aqueous solutions at neutral pH; oxamic acid is generated as well. Hydride transfer from the glyoxylate‐derived hemiaminal to the corresponding iminium ion appears to underlie this transformation. This proposed mechanism parallels the well‐known Cannizzaro reaction mechanism, which leads us to suggest the designation “aza‐Cannizzaro reaction.” This discovery offers a new perspective on prebiotic nitrogen incorporation because glycine can be a source of nitrogen for more complex molecules, including other α‐amino acids.
Supramolecular Spin Chains via Radical‐Radical Contacts Stabilizing Ferromagnetic Interactions Between Heisenberg or Ising‐Like Spins
Authors: Maahs Adam C. , Borg Genievieve C. , Ghazzali Mohamed , Soldatov Dmitriy V. , Rouzières Mathieu , Clérac Rodolphe , Preuss Kathryn E. 
Published: October 2024

AbstractA new paramagnetic ligand, 4‐(2′‐4‐(2′′‐furyl)‐pyrimidyl)‐1,2,3,5‐dithiadiazolyl (furylpymDTDA) and three transition metal coordination complexes, M(hfac)2(furylpymDTDA) M=Mn, Co, Ni; hfac=1,1,1,5,5,5‐hexafluoroacetylacetonato−), are reported. The solid‐state structures are influenced by the geometry of the coordination sphere of the M(II) centers: trigonal (Mn) vs. octahedral (Co and Ni). While the hs‐Mn(II) complex exhibits pairwise multi‐centre 2‐electron bonds (i. e., pancake bonds) between the planar π radical DTDA moieties, the hs‐Co(II) and Ni(II) complexes crystallize with close contacts between coordinated furylpymDTDA radical ligands that define linear 1D arrays of molecular units. The magnetic data for the hs‐Co(II) and Ni(II) complexes indicate ferromagnetic (FM) interactions between molecular units, apparently mediated by radical‐radical contacts along the supramolecular chains. Computational analysis suggests proximity between regions of large α‐ and β‐spin density on neighbouring molecular sites enabling FM exchange, in accordance with the McConnell I mechanism. The magnetic data for the Ni(II) complex are consistent with a Heisenberg spin chain, whereas the hs‐Co(II) complex exhibits Ising‐like spin chain behaviour and a magnetic phase transition to an FM ordered state at 4.6 K.
Se‐Doping on Co4S3 Cathode Based on Soft Anion Chemistry to Enhance Magnesium Storage Performance
Authors: Hu Chenkai , Ying Haifeng , Zhang Wenwei , Chao Feiyang , Zhu Dongyao , Zhu Shaohua , An Qinyou 
Published: October 2024

AbstractRechargeable magnesium batteries (RMBs) have gradually got attention due to the high theoretical capacity, low cost and high security. However, the lack of suitable cathode materials has been a major obstacle to the development of RMBs. Transition metal sulfides (TMSs) have been studied extensively because of their high theoretical specific capacity and other advantages. However, the diffusion rate of Mg2+ in TMSs is slow and side reactions are easy to occur. In this work, soft anion doping strategy was adopted at Co4S3 cathode material. After doping the appropriate content of Se, it showed the specific capacity of 248 mAh g−1 at a current density of 100 mA g−1. The mechanism of magnesium storage was investigated by ex‐situ technique. This work laid a foundation for researching cobalt‐based sulfide in cathode materials of RMBs.
Prompt and Thermally Activated Delayed Fluorescence of Quinazoline‐Based Derivatives: A Joint Experimental and Theoretical Study
Authors: Hodée Maxime , Moshkina Tatiana N. , Massue Julien , Fihey Arnaud , Roisnel Thierry , Katan Claudine , Nosova Emiliya , Achelle Sylvain 
Published: October 2024

AbstractDuring the last decade, thermally activated delayed fluorescence has been the topic of intense research due to its great potential for highly efficient all organic light emitting devices. While the quinazoline heterocycle has been used for its electron withdrawing ability in various push‐pull dyes, quinazoline derivatives have been rarely considered for TADF emitters. Here we design and synthesize a new series of dyes with phenyl‐ or methoxy‐substituted quinazoline rings combined with 9,9‐dimethylacridan, phenoxazine or phenothiazine and either 1,4‐phenylene or 2,5‐thienylene as linker. Combining optical spectroscopy and theoretical investigations, we demonstrate that delayed fluorescence is observed in the solid state for the phenyl‐substituted quinazoline derivatives for which both quasi‐equatorial and quasi‐axial conformations are predicted to coexist. Calculations further suggest that the reversed intersystem crossing is likely to involve the second triplet state that shows small energy splitting with the first singlet state. These results prompt further investigations of phenyl‐substituted quinazoline based dyes for TADF.
Epigenetic regulation of Epstein–Barr virus: From bench to bedside
Authors: Gao Xiao , Yang Hao‐Xu , Cheng Shu , Cai Hua‐Man , Xiong Jie , Zhao Wei‐Li 
Published: October 2024

AbstractBackgroundEpstein–Barr virus (EBV) is a double‐stranded DNA herpesvirus and establishes life‐long infection in 95% of the world's populations.Main bodyEBV is critically involved in multiple diseases. Aberrant signaling pathways, immune escape, and metabolic reprogramming play essential roles in EBV‐mediated pathogenesis. However, the underlying mechanisms have not yet been fully elucidated. Here we reviewed recent advances on the epigenetic regulation of EBV pathogenesis, which may translate to potential therapeutic strategies in EBV‐associated diseases.ConclusionGrowing evidence has suggested that viral infections reconstruct epigenome to modulate gene expression both in the host and the virus levels.
Cardiometabolic multimorbidity and neuropsychiatric disturbances in multiregional older adults
Authors: Zhang Haoran , Wen Haoxuan , Zhao Xuhao , Huang Huiqian , Ge Qile , Chen Christopher , Xiao Shifu , Liu Zuyun , Xu Xin 
Published: October 2024

AbstractIntroductionTo investigate the association between cardiometabolic multimorbidity (CMM) patterns and dementia‐related neuropsychiatric symptoms (NPSs) among multiregional and ethnic seniors.MethodsFour Asian studies (discovery) and UK Biobank (validation) were included. CMM was defined as two or more of hypertension, hyperlipidemia, diabetes mellitus, stroke, and heart disease. The latent class analysis identified CMM patterns. Two‐step individual participant data (IPD) and Cox regressions explored associations between CMM and the presence and short‐term (1–2 years) incidence of four neuropsychiatric subsyndromes: psychosis, hyperactivity, affective, and apathy.ResultsA total of 2950 Asian and 40,424 UK participants were included. Metabolic multimorbidity (≥2 of hypertension, hyperlipidemia, and diabetes mellitus) was associated with the presence (odds ratio [OR] = 1.34, 95% confidence interval [CI] = 1.00–1.81; and 1.93, 1.73–2.16; in the respective data set), and incidence (hazard ratio [HR] = 3.91, 1.53–10.01; and 6.94, 2.52–19.07) of affective subsyndrome. Cardio‐cerebrovascular multimorbidity (≥2 of hypertension, stroke, and heart disease) was not associated with any NPSs.DiscussionMetabolic multimorbidity may exacerbate the neuropsychiatric disturbances of possible dementia.Highlights
Four Asian multiregional and ethnic studies were included as the discovery data set, with the UK Biobank being applied as the validation data set.
Metabolic multimorbidity had a higher presence and short‐term incidence of affective syndromes.
Cardio‐cerebrovascular multimorbidity was not associated with any neuropsychiatric symptoms.
Territorial status is explained by covariation between boldness, exploration, and thermal preference in a colour polymorphic lizard
Authors: Goerge Tyler M. , Miles Donald B. 
Published: October 2024

AbstractColour polymorphic species often exhibit variation in morphology, physiology, and behaviour among morphs. In particular, dominance status may be signalled by the interaction between behaviour and colour morph. Behavioural traits associated with dominance include boldness, exploration, and aggression, which influence access to preferred habitat, territorial defence, and mate acquisition. In ectotherms, the social structure associated with morphs may result in the exploitation of structural niches differing in thermal quality. Hence, social interactions among morphs may generate concordant variation in thermal preference and environmental temperature. However, few studies have assessed thermal preference variation in colour polymorphic species and its covariation with behaviour. Doing so can provide insight into niche specialization and the maintenance of colour polymorphism in populations. Here, we investigated the patterns of covariation in boldness behaviour, exploratory behaviour, and thermal preference in the tree lizard, Urosaurus ornatus. We assessed trait variation between territorial and non‐territorial male morphs and between orange and yellow female morphs. Boldness and exploratory behaviour were repeatable in male U. ornatus and bolder individuals were significantly more likely to incur tail loss, a potential consequence of bold behaviour. Territorial male morphs were significantly bolder and more exploratory and preferred higher body temperatures with a narrower T set than non‐territorial morphs. Female morphs did not vary in behavioural or thermal traits. This study highlights behavioural mechanisms that underly ecological niche segregation and variable habitat use between morphs in a colour polymorphic species.