bluuebunny/crossref_metadata_2025_split huggingface dataset:
Characterization, DFT, DNA, Biological Applications, and In Silico Studies of Mn(II), VO(II), Pd(II), and Cd(II) Complexes Derived From Chromone Isonicotinic Hydrazone Ligand
Authors: Elsherbeny Mayar , El‐Ayaan Usama , Abou El‐Reash Yasmeen G. , Abu El‐Reash Gaber M. 
Published: October 2024

ABSTRACTA novel Schiff base ligand, ((4‐oxo‐4H‐chromen‐3‐yl)methylene)isonicotinohydrazone (HL), in addition to its VO(II), Cd(II), Mn(II), and Pd(II) complexes, were prepared and identified. Various analytical techniques such as elemental, TGA, and magnetic susceptibility measurements, additionally, nuclear magnetic resonance (NMR) spectroscopy of hydrogen and carbon‐13, MS, FT‐IR, EPR, and electronic (UV‐VIS) spectroscopy, are utilized and proposed that HL has a mono‐negative tridentate mode of chelation with VO(II) and Mn(II) complexes, whereas it displays a mono‐negative bidentate with the Cd(II) complex and a neutral bidentate with the Pd(II) chelate. The crystallographic structures and atomic spacing for both HL and its complexes were examined through powder X‐ray diffraction analysis. Moreover, electrochemical analyses were conducted on Cd(II) and Mn(II) metal ions with and without the agent that chelates for the purpose of foreseeing the consequences of complex interactions in the case of the liquid phase. Furthermore, photoluminescence study was applied on VO(II) and Pd(II) complexes and showed a quenching effect for both. The ligand's geometry and its complexes were examined through calculations based on density functional theory (DFT) using B3LYP/LANL2DZ computational method and showed molecular electrostatic potential, chemical reactivity, and FMOs. The Cd(II) complex showed promising results against various bacterial strains, displaying excellent activity that exceeded that of the standard, Gentamicin (108% against K. pneumoniae, 100% against Salmonella, and 90.47% against A. fungi). In contrast, it exhibited no cytotoxicity toward the MCF‐7 cell line. However, in a DNA binding study, the compound demonstrated significant activity as its concentration increased up to 6 mM, suggesting its potential for use in cancer therapy due to its ability to inhibit DNA replication.
Working With Traumatised Children During Traumatic Times: Residential Child Care Educators' Compassion Fatigue and Work Engagement
Authors: Saglietti Marzia , Alpini Matteo , Zucchermaglio Cristina 
Published: October 2024

ABSTRACTDrawing from an Italian study conducted in residential care for children and guided by the postulates of the Job Demands and Resources Model, our aims are to investigate residential childcare educators' levels of compassion fatigue and work engagement, and to focus on the individual, work and organisational conditions associated. The survey involved 215 educators who were on duty during the summer of 2023. Data analysis employed descriptive statistics, bivariate and non‐parametric analysis. Results concerning compassion fatigue indicate that while burnout globally registers low to medium scores, more than one‐third of the sample fell in the ‘high’ category for personal burnout, more than one quarter scored high in work burnout and another one quarter have high client burnout scores. One into two suffer from moderate to severe manifestations of secondary traumatic stress, together with relatively high levels of work engagement. Based on individual, work and organisational variables, substantial differences were identified. In the final sections, we discuss job resources and demands and contribute to the development of targeted strategies for preventing compassion fatigue in residential childcare, while addressing strategies for enhancing better well‐being levels for those working in alternative care, impacting children's well‐being as well. Please refer to the Supporting Information section to find this article's Community and Social Impact Statement.
Aminopeptidase A: A Novel Therapeutic Target for Hypertension Management
Authors: Sharma Pragya , Sharma Suman , Paliwal Sarvesh , Jain Smita 
Published: October 2024

ABSTRACTThe renin‐angiotensin system (RAS) is crucial for regulating and understanding the pathophysiology of hypertension. However, there has been little focus on the breakdown of the active peptide, angiotensin II (AngII). Given that animals lacking aminopeptidase A (APA) exhibit hypertension, it may be concluded that APA is a crucial enzyme in regulating blood pressure by breaking down AngII. It has been also seen that the elevated blood pressure in the spontaneously hypertensive rat (SHR) is caused by the activation of the RAS and a concurrent reduction in renal angiotensin‐converting enzyme (ACE) activity. The activity of APA is elevated at the beginning of pre‐eclampsia and decreases below the levels seen during a normal pregnancy as pre‐eclampsia progresses (particularly, in severe cases). The activity of Serum APA is also heightened after hormone replacement treatment (HRT), perhaps as a response to increasing levels of AngII. Therefore, it is crucial to examine the connection between the activation of the RAS, the levels of AngII in the bloodstream, and the presence of APA in hypertension conditions.
Implications of the Lipidic Ecosystem for the Membrane Binding of ApoE Signal Peptide: Importance of Sphingomyelin
Authors: Pradhan Sasmita , Mirdha Lipika , Sengupta Tanusree , Chakraborty Hirak 
Published: October 2024

AbstractThe unidirectional movement of nascent secretory proteins in the cell is primarily assisted by the signal recognition particles (SRP). However, this does not completely justify the importance of the signal peptide (SP) which gets eliminated after the protein translocation. We have earlier demonstrated that a negatively charged lipid such as POPG plays an important role in the higher binding affinity and cholesterol‐discriminating ability of the apolipoprotein E (ApoE) SP. In this present work, we aimed to understand the role of sphingomyelin, an important constituent of ER, on the membrane binding of ApoE SP. Our results demonstrate that sphingomyelin promotes membrane binding but cannot discriminate cholesterol. However, sphingomyelin shows a synergistic effect with POPG toward the membrane binding of the ApoE SP. We have further shown that the membrane domains do not have any impact on the binding of ApoE SP. Based on our results we propose that the lipid composition of the endoplasmic reticulum (ER) where ApoE translocates, enhances the binding of the ApoE signal peptide to the ER membrane.
Using DEXA to diagnose impending atypical femoral fracture in an asymptomatic patient on long term bisphosphonates: A case report of a missed opportunity for fracture prevention
Authors: Ariff Ashraf Amin , Konstantinou Panagiotis , Cuss Michael , Nelson Charmaine Riley , Hamed Ahmed , Nikolaides Anastasios P. 
Published: October 2024

Key Clinical MessageWe report a patient who sustained an AFF (Atypical femoral fractures) after 15 years of bisphosphonate treatment. DEXA scans can be utilized to identify early evidence of AFF in asymptomatic patients up to 9 years before the development of an AFF.
Failure of pacemaker therapy in a pediatric patient with neurally mediated complete heart block and syncope: A case report
Authors: Dalili Mohammad , Rahimpoor Feisal 
Published: October 2024

Key Clinical MessageNeurally mediated syncope (NMS) is a well‐known condition that can be subdivided into three subgroups: vasopressor type, cardioinhibitory type, and mixed type. While different degrees of sinus bradycardia occur at the time of syncope in all types, complete heart block is a rare event that can lead to pulselessness during syncope. We present a case of a 14‐year‐old girl with documented NMS before and after temporary pacemaker implantation, who had complete heart block during syncope. The patient's temporary pacemaker placement was ineffective in preventing syncope during a repeat head‐up tilt test, indicating that permanent pacing may not be effective in this patient. Midodrine, an alpha‐adrenergic agonist, was started, and the patient experienced complete control of syncope episodes without recurrence during a 2‐month follow‐up.
Application of Bioelectrochemical System in Nitrogen Removal via Simultaneous Autotrophic Nitrification and Denitrification from Wastewater
Authors: Ebrahimzadeh Parisa , Navidjouy Nahid , Khorsandi Hassan , Rahimnejad Mostafa 
Published: October 2024

AbstractBioelectrochemical systems (BES) is a new and expanding technology that can simultaneously convert chemical energy into electrical energy by removing nutrients. The present study investigated the BES in removing nitrogen compounds and produce electricity. To this end, a BES reactor with two chambers of cathode and anode and nafion 117 membrane was used as a separator between the two chambers. Then, the BES performance at different concentrations of COD and primary ammonium at different retention times was investigated to remove nitrogen compounds and organic matter. Voltage, current and power density were measured. The results showed that the maximum COD removal efficiency was 73.2 % for the substrate concentration of 2000 mg/L, which decreased to 72.6 % when the substrate concentration increased to 10000 mg/L. The maximum removal efficiency of nitrogen compounds was 83.4 % at COD 10000 mg/L and the initial ammonium concentration was 50 mg/L. The maximum voltage, current and power density in this phase were 391 mV, 460 mA/m2, 63/48 mW/m2, respectively. The results of the study showed that BES can be used as a suitable method to remove high amounts of ammonium in wastewater and organic materials and simultaneously produce electricity.
Sensing and Imaging Agents for Cyclooxygenase Enzyme
Authors: Rao Cheekatla Subba , Murale Dhiraj P. , Gopala Lavanya , Lee Jun‐Seok 
Published: October 2024

AbstractIn this concept, we present a comprehensive study on the development and application of COX‐2‐specific fluorescent probes for cancer imaging and diagnosis. To target cancer cells and measuring cancer‐related activities in specific organelles quickly and accurately are crucial factors for early diagnosis and research on cancer pathology and treatment. This concept explores a variety of probes based on indomethacin (IMC), celecoxib, rofecoxib as well as CoxFluor and each one demonstrates unique mechanisms and high selectivity towards COX‐2 enzymes. These probes were designed to enhance fluorescence upon binding to COX‐2 which enable precise visualization of tumor and inflamed tissues. The research emphasizes the importance of COX‐2 as a biomarker in cancer diagnostics, particularly in identifying cancer stem cells and inflamed tissues. This concept highlights the potentiality of these probes in non‐invasive imaging techniques which offering significant advancements in cancer diagnosis and monitoring. The in vivo and in vitro experiments, including applications in mouse models and human tissue samples, confirm the efficacy of these probes in providing detailed imaging for clinical and research applications.
Miscibility of Non‐Uniform Aliphatic Polyamide Mixtures
Authors: van Leuken Stijn H. M. , van Gorp Judith J. , van Benthem Rolf A. T. M. , Vis Mark , Tuinier Remco 
Published: October 2024

AbstractMixing different aliphatic polyamides provides opportunities to tune and optimize the properties of these semicrystalline polycondensates. Combining experiment and theory, we predict and explain the miscibility of aliphatic polyamide mixtures. Visual inspection and Raman spectroscopy of polyamide mixtures show that liquid/liquid phase demixing occurs in the melt due to limited miscibility. The large number of potential polyamide mixtures makes it challenging to test all miscibilities experimentally. Moreover, the dependence of miscibility on dispersity and the presence of water implies further challenges to a systematic experimental approach. Our theory predicts polyamide miscibility, while accounting for amide content, non‐uniformity, and moisture content, using generalizations of Flory–Huggins theory. Predicted miscibilities align with experimental results obtained on tested mixed polyamides. The gained insights guide the optimization of functional polyamide blends.
Organophotoredox Pd‐Catalyzed C−H Arylation at Room Temperature using Diaryliodonium Salts
Authors: Bennett Christopher W. , McDonald Nicholas R. , Siddiqui Almeera , Romero Erik A. 
Published: October 2024

AbstractDirect functionalization of C−H bonds is the most expeditious strategy to build complexity into organic molecules. Unfortunately, most Pd‐catalyzed C−H arylation strategies require high temperatures and/or stoichiometric oxidants. The discovery of metallaphotoredox C−H arylation in 2011 forged a new approach to achieve metal catalyzed C−H arylation at room temperature. Since this discovery, most reports still use explosive diazonium salts as aryl radical precursors. Alternatively, a single report uses bench‐stable diaryliodonium salts, albeit with an Ir‐based photocatalyst. In this study, we develop an organophotoredox manifold that enables Pd‐catalyzed C−H arylation of numerous N‐aryl amide substrates. The results we present are expected to revitalize the use of diaryliodonium salts to achieve room temperature arylations of wide‐ranging classes of C−H bonds.
Recent Progress of Organic Room‐Temperature Phosphorescent Hydrogels
Authors: Huang Xiaoyuan , Zhang Yongfeng , Li Gengchen , Wang Tao , Sun Peng , Shi Jianbing , Tong Bin , Zhi Junge , Li Zhao , Cai Zhengxu , Dong Yuping 
Published: October 2024

AbstractOrganic room‐temperature phosphorescent (RTP) materials have garnered significant attention owing to their unique photophysical properties. Traditionally, the stabilization of triplet excitons in RTP materials necessitates a crystalline matrix or rigid polymer chain, which limits their use in flexible materials. In contrast, hydrogels offer biocompatibility, softness, and ease of processing. Therefore, incorporating phosphorescent molecules into hydrogel systems can expand the application potential of RTP materials. This concept summarizes recent advancements in RTP hydrogels, emphasizing their synthetic strategies and diverse applications.
Recording and Interpretation of Active Calcium Transients in Induced Pluripotent Stem Cell‐Derived Cardiomyocytes
Authors: Mozneb Maedeh , Moses Jemima , Arzt Madelyn , Escopete Sean , Sharma Arun 
Published: October 2024

AbstractCalcium plays a pivotal role in the excitation‐contraction coupling process in cardiomyocytes, a critical multi‐parametric event leading to rhythmic contraction. Over the past few decades, calcium signaling in cardiomyocytes has been extensively studied in cardiovascular sciences. However, a standard methodology is needed not only to trace the calcium within cells but also to remove signal processing biases and to accurately interpret the features of calcium transient signals in relation to cardiomyocyte electrophysiology. This article outlines the use of genetically encoded calcium indicator (GCaMP) human‐induced pluripotent stem cell‐derived cardiomyocytes (hiPSC‐CMs) to record calcium transients. These cells express a green fluorescent signal when calcium binds to intracellular calmodulin, a key regulator of calcium signaling. The extraction and processing of calcium transient waveforms are performed using ImageJ and MATLAB software. Key features of these waveforms are then identified and categorized based on their physiological relevance to cardiomyocyte function. Additionally, this work includes a Support Protocol for the successful replating of cardiomyocytes onto non‐traditional culture platforms, such as metallic sensors and polymer‐based substrates, to facilitate data multiplexing. The three Basic Protocols outlined here provide a comprehensive approach for maintaining, expanding, and differentiating the GCaMP hiPSCs, video recording of calcium transients, and the subsequent signal extraction, preprocessing, analysis, and data visualization. © 2024 The Author(s). Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Maintenance, expansion, and differentiation of genetically encoded calcium indicator hiPSCsSupport Protocol: Replating GCaMP hiPSC‐CMs for stimulation and multielectrode array studiesBasic Protocol 2: Video recording from calcium transients of GCaMP hiPSC‐CMsBasic Protocol 3: Signal extraction, preprocessing, analysis, and data visualization
When and how corporate social responsibility promotes innovation: A multi‐level moderated mediation model
Authors: Kim Byung‐Jik , Van Quaquebeke Niels , Chang Youngkyun , Kim Tae‐Hyun 
Published: October 2024

AbstractThis study advances and tests a micro‐foundations model that reveals when and how corporate social responsibility (CSR) will enhance organizational innovation. Challenging the prevalent assumption that CSR uniformly leads to positive outcomes, we posit that the impact of CSR on innovation is contingent upon the interplay between employee‐level psychological processes and organizational‐level factors. Specifically, we argue that under conditions of good internal organizational communication, CSR facilitates employees' intrinsic motivation. Then, this motivation can increase organizational‐level innovation, but only if employees are also allowed to thrive, when they are psychologically empowered. We examine the multi‐level model by utilizing a 4‐wave, time‐lagged data from one of the largest Korean commercial banks, featuring 2545 employees across 379 branches. The data consist of both survey data and centrally audited CSR data. The results of the analyses bolster our hypotheses, but also highlight unexpected backlash effects where CSR negatively affects organizational innovation. Our findings contribute to the CSR literature by unveiling the complex micro‐level mechanisms and boundary conditions that shape the CSR‐innovation relationship, thereby addressing the inconsistencies in previous research. Practically, our study suggests that managers should carefully align their CSR initiatives with internal communication strategies and employee empowerment practices to foster innovation. Failing to do so may inadvertently undermine the very outcomes CSR is intended to promote. These insights also speak to the ongoing debate on the role of CSR in driving organizational competitiveness and social impact, underlining the need for a more nuanced and contextualized understanding of CSR's effects. In sum, our results facilitate the integration of previously disparate literatures, while simultaneously also underlining that CSR efforts need to be orchestrated with other improvements if any innovation benefits are to be reaped.
Analysis of Spatiotemporal Evolution and Influencing Factors of Water Poverty and Ecological Resilience Coupling Coordination in Chinese
Authors: Haiqi Zhang 
Published: October 2024

ABSTRACTThis study advances the understanding of urban sustainability by examining the interplay between water poverty and ecological resilience in China's megacities—a critical yet underexplored domain. Spanning a decade from 2013 to 2022, we leverage unique data sets from 10 megacities and introduce a pioneering coupling coordination model. This model is the cornerstone of our methodological innovation, allowing for an integrated analysis of the coupling relationship and spatiotemporal evolution of water poverty and ecological resilience. Our first innovation lies in applying this novel model, which provides a nuanced perspective on the dynamic linkages between water scarcity and ecosystem robustness. We reveal that from 2013 to 2022, there has been a significant upward trend in the comprehensive evaluation indices, with water poverty and ecological resilience witnessing a 166.13% and 204.29% increase, respectively. This underscores the substantial improvements achieved in these critical areas. Secondly, our research innovates by offering a detailed spatiotemporal analysis, highlighting the strengthening coupling and coordination degree between water poverty and ecological resilience over the observed period. The case of Wuhan, with a remarkable coupling coordination index of 9.305 in 2022, exemplifies a city that has reached a highly coordinated status, marking a significant advancement in urban environmental synergy. Lastly, our use of the Tobit model to explore the main influencing factors offers new insights into the drivers of the coupling and coordination level. We find that economic development, industrial structure and technological innovation positively influence this level, whereas population density and urbanization exert negative pressures.
Reassignment of the Structure of Setosol
Authors: Bates Roderick W. , Elyashberg Mikhail , Kutateladze Andrei G. , Williams Craig M. 
Published: October 2024

AbstractBy a combination of computational methods and comparison of spectroscopic data, the benzooxonin structure proposed for setosol is shown to be incorrect. The correct structure is that of a known biaryl ether natural product.
Pain intensity and comorbid depressive symptoms in the general population: An analysis of the German Health Update Study (GEDA 2019/2020‐EHIS)
Authors: Ahrend Jan Niklas , Jobski Kathrin , Bantel Carsten , Hoffmann Falk 
Published: October 2024

AbstractBackgroundPain and depressive symptoms often co‐occur, but the influence of pain intensity remains unclear. This study analyses the association between pain intensity and depressive symptoms in the general adult German population.MethodsData was obtained from the cross‐sectional German Health Update Study (GEDA 2019/2020‐EHIS). Pain intensity in the last 4 weeks was categorized into no pain, mild, moderate, and severe. Depressive symptoms were assessed using the 8‐item Patient Health Questionnaire (PHQ‐8). The prevalence of depressive symptoms was analysed including a 95% confidence interval (95% CI). A multivariable logistic regression analysed associated factors with depressive symptoms by odds ratio (OR).ResultsOf 22,708 participants (51.0% women, 35.1% aged 45–64 years), 41.2% reported no pain, 32.1% mild, 15.3% moderate, and 11.5% severe pain. Depressive symptoms were present in 8.3% overall (women 9.1%, men 7.5%). Participants with no pain, mild, moderate, and severe pain reported depressive symptoms in 2.5%, 6.5%, 14.4%, and 27.1%, respectively. In the multivariable analysis, higher pain intensity was associated with a higher risk of depressive symptoms (mild pain OR 1.8, 95% CI 1.3–2.4; moderate pain OR 2.8, 95% CI 2.0–4.0; severe pain OR 4.0, 95% CI 2.8–5.6). Depressive symptoms were further associated with a Body Mass Index (BMI) under 18.5 kg m−2 (OR 2.4; 95% CI 1.4–4.1), but not with sex (OR 1.1; 95% CI 0.9–1.3).ConclusionsHigher pain intensity increases the risk of depressive symptoms. We suggest regular assessment of pain and further assessment of depressive symptoms in patients with moderate or severe pain.Significance StatementOur study found a clear association between higher pain intensity and depressive symptoms in the general population across all types of pain. Further, being underweight was linked to depressive symptoms overall and the highest prevalence of depressive symptoms was found in underweight persons with severe pain. These findings highlight the importance of assessing depressive symptoms in patients with higher pain intensity, especially in underweight patients.