bluuebunny/crossref_metadata_2025_split huggingface dataset:
Healthcare providers' expected barriers and facilitators to the implementation of person‐centered long‐term follow‐up care for childhood cancer survivors: A PanCareFollowUp study
Authors: Breij Dionne , Hjorth Lars , Bouwman Eline , Walraven Iris , Kepak Tomas , Kepakova Katerina , Haupt Riccardo , Muraca Monica , Göttgens Irene , Stollman Iridi , Winther Jeanette Falck , Kienesberger Anita , Gsell Hannah , Michel Gisela , Blijlevens Nicole , Pluijm Saskia M. F. , Roser Katharina , Skinner Roderick , Renard Marleen , Uyttebroeck Anne , Follin Cecilia , van der Pal Helena J. H. , Kremer Leontien C. M. , Loonen Jaqueline , Hermens Rosella ,   the PanCareFollowUp Consortium
Published: October 2024

AbstractBackgroundChildhood cancer survivors face high risks of adverse late health effects. Long‐term follow‐up care for childhood cancer survivors is crucial to improve their health and quality of life. However, implementation remains a challenge. To support implementation of high‐quality long‐term follow‐up care, we explored expected barriers and facilitators for establishing this follow‐up care among healthcare providers from four European clinics.MethodsA qualitative study was conducted using four focus groups comprising 30 healthcare providers in total. The semi‐structured interview guide was developed based on the Grol and Wensing framework. Data was analyzed following a thematic analysis, combining both inductive and deductive approaches to identify barriers and facilitators across the six levels of Grol and Wensing: innovation, professional, patient, social, organizational and economic and political.ResultsMost barriers were identified on the organizational level, including insufficient staff, time, capacity and psychosocial support. Other main barriers included limited knowledge of late effects among healthcare providers outside the long‐term follow‐up care team, inability of some survivors to complete the survivor questionnaire and financial resources. Main facilitators included motivated healthcare providers and survivors, a skilled hospital team, collaborations with important stakeholders like general practitioners, and psychosocial care facilities, utilization of the international collaboration and reporting long‐term follow‐up care results to convince hospital managers.ConclusionThis study identified several factors for successful implementation of long‐term follow‐up care for childhood cancer survivors. Our findings showed that specific attention should be given to knowledge, capacity, and financial issues, along with addressing psychosocial issues of survivors.
Global Trend in Pancreatic Cancer Prevalence Rates Through 2040: An Illness‐Death Modeling Study
Authors: Hesami Zeinab , Olfatifar Meysam , Sadeghi Amir , Zali Mohammad Reza , Mohammadi‐Yeganeh Samira , Habibi Mohammad Amin , Ghadir Mohammad Reza , Houri Hamidreza 
Published: October 2024

ABSTRACTBackgroundDespite remarkable progress in contemporary medical technology and enhanced survival outcomes for various cancer types, pancreatic cancer (PC) continues to stand out as a particularly deadly gastrointestinal malignancy. Given a persistent rise in both incidence and the corresponding mortality rates of PC globally, evaluations of PC burden by sex are of great importance. Here, we used the illness‐death multi‐state model (IDM) to forecast the prevalence of PC through the year 2040.MethodsIDM was established based on obtainable data to predict the future prevalence of PC on global, regional, and national scales from 2019 to 2040. Analyses were also performed regarding sex and 95% confidence intervals (CIs) are presented for all estimates.ResultsThe projected prevalence rate for 2040 is anticipated to be 6.093 ([95% CI 5.47–6.786] per 100,000) worldwide, indicating a significant increase of 31.45% since 1990, and a 12.29% increase since 2019. The estimated average annual increase since 2020 was 0.5%. Considering sex differences, females are expected to have a steeper slope in prevalence rate than males. Intriguingly, when considering the percentage changes between the periods of 2019–2040 and 1990–2019 for both sexes, females exhibited 29% and 11% increase relative to males (2.6‐fold greater increase).ConclusionsBy 2040, it is predicted that the prevalence of PC will increase globally, with women being at higher risk of developing the disease. Considering the percentage changes, regions with lower socioeconomic status are anticipated to face a greater risk of experiencing PC compared to other geographical areas.
Design, Synthesis, Biological Evaluation and Molecular Docking Studies of New Thiazolidinone Derivatives as NNRTIs and SARS‐CoV‐2 Main Protease Inhibitors
Authors: Fesatidou Maria , Petrou Anthi , Geronikaki Athina 
Published: October 2024

AbstractHIV‐1 remains a major health problem worldwide since the virus has developed drug‐resistant strains, so, the need for novel agents is urgent. The protein reverse transcriptase plays fundamental role in the viruses’ replication cycle. FDA approved Delavirdine bearing a sulfonamide moiety, while thiazolidinone has demonstrated significant anti‐HIV activity as a core heterocycle or derivative of substituted heterocycles. In this study, thirty new thiazolidinone derivatives (series A, B and C) bearing sulfonamide group were designed, synthesized and evaluated for their HIV‐1 RT inhibition activity predicted by computer program PASS taking into account the best features of available NNRTIs as well as against SARS‐COV‐2 main protease. Seven compounds showed good anti‐HIV inhibitory activity, with two of them, C1 and C2 being better (IC50 0.18 μΜ & 0.12 μΜ respectively) than the reference drug nevirapine (IC50 0.31 μΜ). The evaluation of molecules to inhibit the main protease revealed that 6 of the synthesized compounds exhibited excellent to moderate activity with two of them (B4 and B10) having better IC50 values (0.15 & 0.19 μΜ respectively) than the reference inhibitor GC376 (IC50 0.439 μΜ). The docking studies is coincides with experimental results, showing good binding mode to both enzymes.
Synthesis of Sulfonamide‐Based Schiff Bases as Potent Anticancer Agents: Spectral Analyses, Biological Activity, Molecular Docking, ADME, DFT, and Pharmacophore Modelling Studies
Authors: Başaran Eyüp , Çakmak Reşit , Türkmenoğlu Burçin , Akkoc Senem , Köprü Semiha 
Published: October 2024

AbstractThe current study focuses on the synthesis and characterization of six benzenesulfonamide‐based Schiff base derivatives (7–12) with various electron‐withdrawing and electron‐donating substituents (−F, ‐CI, ‐Br, −CH3, and −OCH3) and the assessment of their antiproliferative activities against human lung (A549) and liver (HepG2) cancer cell lines using in vitro and in silico approaches. The structures of the synthesized compounds (7–12) were elucidated by elemental analysis and FT‐IR, 1D (1H, 13C, APT, and DEPT‐135), and 2D (HMQC and HMBC) NMR spectroscopies. The cytotoxic activities of the targeted compounds were determined at various concentrations against these cancer cell lines for 72 h, using the MTT method. The targeted molecules (7–12) demonstrated remarkable antiproliferative activities, with IC50 values ranging from 6.032–9.533 μM against the A549 cell line and 5.244–9.629 μM against the HepG2 cell line. These compounds showed activities at lower or very similar concentrations to cisplatin against the A549 cell line and at much lower concentrations than cisplatin against the HepG2 cell line. Among them, compounds 10 and 12 were found to be more effective against A549 and HepG2 cells, respectively, than cisplatin. These compounds were analyzed by interacting with the 1BNA, 4HJO, and 4ASD crystal structures in molecular docking studies. The docking score of 4ASD‐compound 12 interaction was calculated as −4.045 kcal/mol, 4HJO‐compound 10 interaction was calculated as −5.179 kcal/mol and 1BNA‐compound 10 interaction was calculated as −8.571 kcal/mol and it was determined that these compounds were theoretically better than Cisplatin. In the present study, ADME data were estimated using the web tool SwissADME. With ADME, it was calculated that the logP value of compounds 7–12 was less than 5, the HBD number was 1, the HBA number was 7 or 8, and the molecular weight was less than 500. Properties such as the electrophilic index and chemical hardness of the designed compounds were examined by density functional theory (DFT) using B3LYP/6‐311G**. In conclusion, these compounds have emerged as promising new anti‐cancer drug candidates.
Chemical Composition, Anti‐Microbial, and Cytotoxic Activities of Essential Oil From Magnolia bidoupensis Q. N. Vu Leaves, an Endemic Species to the Central Highlands of Vietnam
Authors: Van Ngoc Nguyen , Ngoc Uyen Nhi Tran , Thi Binh Hoang 
Published: October 2024

AbstractAn analysis was conducted on the essential oil extracted from the leaves of Magnolia bidoupensis utilizing GC‐MS, revealing thirty‐three constituents that account for 98.9 % of the essential oil. The main components included pogostol (22.4 %), δ‐selinene (16.2 %), and α‐amorphene (14.7 %). Bioassays were then performed to evaluate the oil's biological activity. The essential oil exhibited antimicrobial activity against all tested microorganisms (six bacterial strains and one fungal strain) using the minimum inhibitory concentration (MIC) method. Additional cytotoxicity tests were conducted on KB, HepG2, MCF‐7, and A549 cancer cell lines using the MTT method. The essential oil exhibited strong cytotoxic effects on all four cell lines, with IC50 values ranging from 1.37±0.05 μg/mL (KB) to 2.40±0.06 μg/mL (A549).
Suicide and self‐harm in prisons: The challenge of service evaluation and prevention
Authors: Challinor Alexander , Rafferty Joe , Thomas Noir , Pilling Sarah , Bhandari Sahil , Ibrahim Saied , Kapur Nav 
Published: October 2024

AbstractVery high rates of suicide and self‐harm in prisons worldwide emphasise the need for evidence‐based approaches to prevention. Real world evaluations of organisational changes and service developments within prisons could yield important insights, but there are challenges to achieving this, as we found from an evaluation in a single UK institution.
NTF2‐Like Enzymes as Versatile Biocatalysts in Fungal Natural Product Biosynthesis
Authors: Li Yanqin , Wang Junfeng , Yan Yan 
Published: October 2024

AbstractFungal natural products (NPs), known for their potent bioactivities, can be utilized as human therapeutics and agrochemicals. These bioactive and structurally complex compounds are biosynthesized through condensation of monomeric building blocks to construct core scaffolds, followed by various modification steps. Recent studies have revealed that a unique class of enzymes from the NTF2‐like protein family plays important roles in the biosynthesis of complex fungal NPs. These NTF2‐like enzymes belong to a large group of related proteins that share a common fold with nuclear transport factor 2, and are capable of catalyzing various reactions. In this study, we summarize the recent progress in discovering and characterizing the catalytic functions of fungal‐derived NTF2‐like enzymes, including dehydratases, epimerases, isomerases, semipinacolases, pericyclases, and aldolases. These findings not only provide valuable insights into new catalytic reactions and mechanisms, but also offer opportunities to discover novel NPs and biocatalysts through genome mining.
Dynamic Processes at the Electrode‐Electrolyte Interface: Implications for Lithium Deposition Stability
Authors: Dutta Arghya 
Published: October 2024

AbstractLithium (Li) metal is a promising negative electrode material for high‐energy‐density rechargeable batteries, owing to its exceptional specific capacity, low electrochemical potential, and low density. However, challenges such as dendritic Li deposits, leading to internal short‐circuits, and low Coulombic efficiency hinder the widespread adoption of lithium‐metal batteries (LMBs). These issues stem from the morphological instability of Li deposition, influenced by dynamic processes at the electrolyte|Li interface. Understanding the interplay between electrolyte properties, interfacial kinetics, and Li deposition stability is crucial yet challenging due to their simultaneous occurrence and the complexity of the solid electrolyte interphase (SEI) layer. This review discusses three key dynamic processes influencing Li deposition: desolvation of Li+ ions, transport through the SEI, and electrochemical reduction. The effects of electrolyte properties on these processes and their interplay with electroplating stability are discussed, highlighting contradictions in the literature and proposing explanations for the discrepancies. Despite numerous reviews on SEI structure and composition effects, this article emphasizes the kinetic aspects at interfaces, aiming to provide clarity and direction for future research in achieving stable Li deposition in LMBs.
Recent Progresses and Challenges to Determine Properties of Sulfonated Polyether Ether Ketone Based Electrolytes for Direct Methanol Fuel Cell Applications
Authors: Tamer Murat , Akyalçın Sema , Akyalçın Levent 
Published: October 2024

AbstractThis review focuses on fillers, modifications, and methods used in the preparation and development of sulfonated poly(ether ether ketone) (sPEEK) membranes, specifically for direct methanol fuel cell (DMFC) applications as proton exchange membranes in recent years. The primary objective is to evaluate recent advancements by emphasizing key characteristics such as water uptake and swelling capacity, ionic conductivity, methanol permeability, and single cell polarization tests. Additionally, the review aims to provide insights for future researchers by discussing the preparation processes of electrolytes. It presents basic characterizations of membrane electrolytes, including evaluations of the sulfonation degree and ion exchange capacities of sPEEK. High performance of membrane electrolytes is essential for commercialization and to compete with established membranes like Nafion®, which has a perfluorosulfonic acid structure. Therefore, the review also covers detailed characterization methods for assessing long‐term stability when available in the related studies. Numerical results and indicators are categorized and tabulated for easy interpretation and comparative analysis.
Effect of SiO2 on the Performance of Cellulose/Poly(Vinylidene Fluoride) Films as Polymer Electrolytes for Lithium Ion Battery
Authors: Mohamadzade Shirin , Safavi‐Mirmahalleh Seyedeh‐Arefeh , Roghani‐Mamaqani Hossein , Salami‐Kalajahi Mehdi 
Published: October 2024

AbstractPolymer electrolytes serve as highly efficient alternatives to liquid electrolytes, especially in terms of safety in lithium ion batteries. Among various polymers, Cellulose contains electron‐donating atoms which can coordinate with lithium salts and be used as polymer electrolyte. Also, cellulose can be blended with other polymers to improve their properties. Polymer electrolytes suffer from poor mechanical properties. Adding nanoparticles not only surmounts the drawback of poor mechanical properties but also improves physical and electrochemical properties. In this study, different weight ratios of PVDF/cellulose blend films containing silicon dioxide (SiO2) are prepared via solution casting method. The results explored ionic conductivity in order of 10−4 S cm−1. In addition, high transfer numbers (0.74<t+<0.98), wide electrochemical window (up to 6 V), acceptable charge capacity, and long cycle stability are attained. In details, for 90/10 (wt./wt.) cellulose/PVDF, the ionic conductivity reached 4.4×10−⁴ S cm−1, and the ion transfer number was obtained 0.98. Additionally, the electrochemical stability window for these gel polymer electrolytes exceeded 5 V. The sample containing 90 % cellulose achieved an optimal charge capacity of 225.3, with 93.4 % capacity retention after 200 cycles at 0.2 C.
Understanding the Relation Between Intrinsic Parameters of Substituents and Physical‐Chemical Properties of NVP
Authors: Baiju S. , Guillon O. , Kaghazchi P. 
Published: October 2024

AbstractNASICON‐type Na3V2(PO4)3 (NVP) is regarded as an intriguing cathode material choice for sodium ion batteries (SIBs) due to its cycling stability and relatively high capacity. However, its voltage and electronic conductivity still need to be improved for larger‐scale fast‐charging applications (e.g. electric vehicles and mobile phones). In this work, we investigate the influence of Vanadium (V) substitution by other environmentally friendly, cheap, and/or high‐valent transition metal (TM) elements on the electrochemical performance of NVP. Density functional theory calculation was used to study the volume change, voltage, conductivity, and redox mechanism during charge/discharge of different compositions. It is found that a substitution of 50% of V by Mn, Mo or W ions resulting in Na3VMn(PO4)3 (NVMnP), Na3VMo(PO4)3 (NVMoP), and Na3VW(PO4)3 (NVWP) significantly alters the cathode materials’ physical and chemical properties, notably decreasing the band gap. In particular, NVMnP has lesser than 1 eV theoretical band gap and provides a higher voltage, while NVWP a much lower voltage in comparison to NVP. This means that NVMnP and NVWP can be promising cathode and anode materials respectively. This work also establishes a relation between fundamental properties of substituents (i.e. ionization energy and ionic size) and the overall performance of NVP.
Effect of Oriented External Electric Field in Altering Magnetic Exchange and Magnetic Anisotropy in Lanthanide‐Radical Complexes
Authors: Sharma Tanu , Singh Ananya , Rajaraman Gopalan 
Published: October 2024

AbstractMagnetic exchange coupling (J) is one of the important spin Hamiltonian parameters that control the magnetic characteristics of single‐molecule magnets (SMMs). While numerous chemical methodologies have been proposed to modify ligands and control the J value, and magneto‐structural correlations have been developed accordingly, altering this parameter through non‐chemical means remains a challenging task. This study explores the impact of an Oriented‐External Electric Field (OEEF) on over twenty lanthanide‐radical complexes using Density Functional Theory (DFT) and ab initio Complete Active Space Self‐Consistent Field (CASSCF) methods. Five complexes – [{(Me3Si)2N]2Gd(THF)}2(μ‐η2:η2‐N2)] (1), [Gd(Hbpz3)2(dtbsq)] (2), [Gd(hfac)3(IM‐2py)] (3), [Gd(hfac)3(NITBzImH)] (4), and [Gd(hfac)3{2Py‐NO}(H2O)] (5) – were selected for detailed analysis, revealing significant OEEF effects on magnetic exchange interactions and structural parameters. Various parameters such as bond distances, bond angles, and torsional angles were examined as a function of OEEF to establish guiding principles for molecule selection. In complexes 1, 2, and 3, OEEF influenced torsional angles and altered exchange interactions. Complex 4 demonstrated enhanced ferromagnetic coupling under OEEF, reaching a maximum J value of +5.3 cm−1. Complex 5 reveals switching the sign of JGd‐rad exchange interaction from antiferromagnetic to ferromagnetic under OEEF, highlighting the potential of electric fields in designing materials with tuneable magnetic properties. These findings offer valuable insights for future research and applications in advanced materials and molecular electronics.
An Ultrahigh Affinity DNA Aptamer for Quinine and Its Intrinsic Fluorescence Based Label‐Free Detection
Authors: Datta Meheta , Kaiyum Yunus A. , Johnson Philip E. , Liu Juewen 
Published: October 2024

AbstractMeasuring quinine is critical for the detection of its overdose, understanding its pharmacological and toxicological effects, and monitoring its pollution. While a previously reported aptamer named MN4 can bind quinine, it was not selected for it, leading to compromised binding affinity and specificity. In this work, a new quinine aptamer was isolated using the library immobilization capture‐SELEX technique. The Q1 aptamer has a Kd value of 10 nM determined by an isothermal titration calorimetry experiment and 45 nM in a fluorescence binding assay. A 3.5 nM quinine limit of detection was obtained based on the aptamer binding‐induced quenching of the intrinsic fluorescence of quinine. A large blue shift in fluorescence was observed for quinine upon binding to Q1, whereas binding to MN4 led to a very small red shift, indicating different ways of quinine binding by these two aptamers. Q1 did not bind cocaine based on NMR spectroscopy and fluorescence assays also indicated excellent selectivity against other tested molecules. This work has supplied a high affinity aptamer for quinine that can be useful for its detection and fundamental aptamer binding studies. It also highlights the advantages of using capture‐SELEX to isolate aptamers for small molecules.
Psychometric Evaluation of the Traumatic Grief Inventory‐Self Report Plus (TGI‐SR+) in Chinese Bereaved People
Authors: Tang Suqin , Chen Zhiwei , Boelen Paul A. , Eisma Maarten C. , Lenferink Lonneke I. M. 
Published: October 2024

ABSTRACTObjectiveThe Traumatic Grief Inventory‐Self Report Plus (TGI‐SR+) measures the most recent prolonged grief disorder (PGD) symptom sets defined in the 11th edition of the International Statistical of Diseases and Related Health Problems (ICD‐11) and the text revision of the fifth edition of the Diagnostical and Statistical Manual of Mental Disorders (DSM‐5‐TR). However, the TGI‐SR+ has not yet been translated and validated in Chinese. This study aims to evaluate the psychometric properties of the Chinese translation of the TGI‐SR+.MethodsWe examined the Chinese TGI‐SR+'s factor structure, internal consistency, convergent validity, discriminant validity, known‐groups validity, and optimal clinical cut‐off scores in 443 Chinese bereaved adults.ResultsConfirmatory factor analyses showed that the two‐factor models showed the best fit for the Chinese TGI‐SR+ items assessing ICD‐11 and DSM‐5‐TR prolonged grief symptoms. Items assessing ICD‐11 and DSM‐5‐TR prolonged grief symptoms demonstrated good internal consistency. Associations of TGI‐SR+ scores with symptom levels of prolonged grief (assessed by the International Prolonged Grief Disorder Scale), posttraumatic stress, anxiety, and depression supported convergent and discriminant validity. Associations with background/loss‐related variables provided evidence for known‐groups validity. Cut‐off points for probable ICD‐11 PGD (liberal scoring rule), probable ICD‐11 PGD (conservative scoring rule), and probable DSM‐5‐TR PGD were ≥67, ≥75, and ≥68, respectively.DiscussionThe Chinese TGI‐SR+ appears to be a reliable and valid measure to assess prolonged grief symptoms per ICD‐11 and DSM‐5‐TR among Chinese bereaved adults.