bluuebunny/crossref_metadata_2025_split huggingface dataset:
Monothiolactide, a New Monomer for the Synthesis of Recyclable, Alternating Ester‐Thioester Polymers
Authors: Narmon An Sofie , Jenisch Lilliana M. , Rey Jérôme , Khalil Ibrahim , Badawi Michael , Dusselier Michiel 
Published: June 2024

AbstractAliphatic polyesters and polythioesters are very interesting alternatives for current fossil‐based and degradation‐resistant plastics, due to their high (bio)degradability and (chemical) recyclability potential. Two important examples include polylactide (PLD), currently leading the synthetic bioplastics market, and its sulfur analog polythiolactide (PTLD). Both polymers can be made by ring‐opening polymerization (ROP) of their corresponding (thio)dilactones, lactide (LD) and thiolactide (TLD) respectively. In this work, the benefits of esters and thioesters were combined in one material by the successful catalytic synthesis and ROP of monothiolactide (MTL), an unprecedented monomer containing half a LD and half a TLD structural unit. MTL can be obtained by a simple direct condensation of biobased lactic acid and thiolactic acid aided by Brønsted acid catalysis. The novel, but simple monomer showed to be easily polymerized with triethylamine to materials containing alternating lactic and thiolactic ester units with a very high molar mass. The lower stability of MTL (vs. TLD) resulted in improved ROP thermodynamics, while also fast and controllable polymerization kinetics were observed. The new polymers feature a good chemical recycling and hydrolytic degradation potential with important improvements compared to PTLD and PLD. Finally, a successful co‐polymerization with commercial LD was shown, paving the way towards industrialization.
Development and validation of a machine learning‐based model to predict isolated post‐challenge hyperglycemia in middle‐aged and elder adults: Analysis from a multicentric study
Authors: Hou Rui , Dou Jingtao , Wu Lijuan , Zhang Xiaoyu , Li Changwei , Wang Weiqing , Gao Zhengnan , Tang Xulei , Yan Li , Wan Qin , Luo Zuojie , Qin Guijun , Chen Lulu , Ji Jianguang , He Yan , Wang Wei , Mu Yiming , Zheng Deqiang 
Published: June 2024

AbstractIntroductionDue to the high cost and complexity, the oral glucose tolerance test is not adopted as the screening method for identifying diabetes patients, which leads to the misdiagnosis of patients with isolated post‐challenge hyperglycemia (IPH), that is., patients with normal fasting plasma glucose (<7.0 mmoL/L) and abnormal 2‐h postprandial blood glucose (≥11.1 mmoL/L). We aimed to develop a model to differentiate individuals with IPH from the normal population.MethodsData from 54301 eligible participants were obtained from the Risk Evaluation of Cancers in Chinese Diabetic Individuals: a longitudinal (REACTION) study in China. Data from 37740 participants were used to develop the diagnostic system. External validation was performed among 16561 participants. Three machine learning algorithms were used to create the predictive models, which were further evaluated by various classification algorithms to establish the best predictive model.ResultsTen features were selected to develop an IPH diagnosis system (IPHDS) based on an artificial neural network. In external validation, the AUC of the IPHDS was 0.823 (95% CI 0.811–0.836), which was significantly higher than the AUC of the Taiwan model [0.799 (0.786–0.813)] and that of the Chinese Diabetes Risk Score model [0.648 (0.635–0.662)]. The IPHDS model had a sensitivity of 75.6% and a specificity of 74.6%. This model outperformed the Taiwan and CDRS models in subgroup analyses. An online site with instant predictions was deployed at https://app‐iphds‐e1fc405c8a69.herokuapp.com/.ConclusionsThe proposed IPHDS could be a convenient and user‐friendly screening tool for diabetes during health examinations in a large general population.
Ultrafast Near‐Infrared Luminescence from Cyclometalated Iridium(III) Complexes with Indirubin as Ancillary Ligand
Authors: Sathyaseelan Bejoymohandas Kochan , Ventura Barbara , Baschieri Andrea , Mazzanti Andrea , Bandini Elisa , Monti Filippo 
Published: June 2024

AbstractBeing a constitutional isomer of the indigo dye, indirubin has been known as a purple colourant for a long time. On the other hand, its structural and photophysical properties as ligand in metal complexes are virtually unexplored. Herein, for the first time, we utilized indirubin as ancillary chelator to develop two new heteroleptic iridium(III) complexes equipped with two 2‐phenylpyridine units as archetypical cyclometalating ligands. These new complexes display fully reversible oxidation and reduction processes, and show a panchromatic absorption extending up to 900 nm in acetonitrile solution at 298 K. Moreover, an unexpected broad and unstructured emission band is detected for both complexes in the near‐infrared region, peaking at approx. 1100 nm and having a lifetime of approx. 60 ps; such an emission is attributed to a ligand‐centred triplet excited state (3LC) located on the indirubin ligand itself, as proved by DFT calculations. These findings may pave the way for further exploration of the indirubin dye as a ligand for different types of metal centres to create efficient near‐infrared triplet emitters without the need for difficult synthetic procedures.
Comparative study of various metal‐based reference electrodes
Authors: Baroch Martin , Dejmková Hana 
Published: June 2024

AbstractThis paper compares materials potentially suitable for preparing solid reference electrodes, which could be used in miniaturized flow electrochemical cells. The tested electrodes are based on Sb, Bi, Pd, Pt, and Ag. The stable potential of the reference electrodes was maintained by the pH of the electrolyte, except for the AgCl electrode, whose potential was given by the concentration of chlorides. The performance of the reference electrodes was evaluated through a series of experiments focusing on potential dependences, long‐term and short‐term stability, cyclic voltammetry, and flow injection analysis with amperometric detection. Potentiometric experiments showed that Sb‐based electrodes had the closest slope to theoretical values with minor changes over five weeks. Theory‐consistent results of potential dependence were also observed for AgCl electrodes. The results of the voltammetric and flow amperometric experiment suggest that Sb‐based reference electrodes are the most suitable tools for electrochemical measurement. AgCl electrodes are limited by the necessity of maintaining a high chloride concentration. Bi‐based and PdH electrodes provide unstable results, the latter particularly due to hydrogen desorption. Although able to provide the stable potential to some extent, Pt electrodes are not suitable as the reference electrodes due to the deformation of mainly hydrodynamic voltammograms.
EM algorithm for generalized Ridge regression with spatial covariates
Authors: Obakrim Said , Ailliot Pierre , Monbet Valérie , Raillard Nicolas 
Published: June 2024

AbstractThe generalized Ridge penalty is a powerful tool for dealing with multicollinearity and high‐dimensionality in regression problems. The generalized Ridge regression can be derived as the mean of a posterior distribution with a Normal prior and a given covariance matrix. The covariance matrix controls the structure of the coefficients, which depends on the particular application. For example, it is appropriate to assume that the coefficients have a spatial structure when the covariates are spatially correlated. This study proposes an Expectation‐Maximization algorithm for estimating generalized Ridge parameters whose covariance structure depends on specific parameters. We focus on three cases: diagonal (when the covariance matrix is diagonal with constant elements), Matérn, and conditional autoregressive covariances. A simulation study is conducted to evaluate the performance of the proposed method, and then the method is applied to predict ocean wave heights using wind conditions.
Estrogenic, Genotoxic, and Antibacterial Effects of Chemicals from Cryogenically Milled Tire Tread
Authors: Bergmann Alan J. , Masset T. , Breider F. , Dudefoi W. , Schirmer K. , Ferrari B. J. D. , Vermeirssen E. L. M. 
Published: June 2024

Abstract
Tire and road wear particles (TRWP) contain complex mixtures of chemicals and release them to the environment, and potential toxic effects of these chemicals still need to be characterized. We used a standardized surrogate for TRWP, cryogenically milled tire tread (CMTT), to isolate and evaluate effects of tire-associated chemicals. We examined organic chemical mixtures extracted and leached from CMTT for the toxicity endpoints genotoxicity, estrogenicity, and inhibition of bacterial luminescence. The bioassays were performed after chromatographic separation on high-performance thin-layer chromatography (HPTLC) plates. Extracts of CMTT were active in all three HPTLC bioassays with two estrogenic zones, two genotoxic zones, and two zones inhibiting bacterial luminescence. Extracts of CMTT artificially aged with thermooxidation were equally bioactive in each HPTLC bioassay. Two types of aqueous leachates of unaged CMTT, simulating either digestion by fish or contact with sediment and water, contained estrogenic chemicals and inhibitors of bacterial luminescence with similar profiles to those of CMTT extracts. Of 11 tested tire-associated chemicals, two were estrogenic, three were genotoxic, and several inhibited bacterial luminescence. 1,3-Diphenylguanidine, transformation products of N-(1,3-dimethylbutyl)-N′-phenyl-p-phenylenediamine, and benzothiazoles were especially implicated through comparison to HPTLC retention factors in the CMTT samples. Other bioactive bands in CMTT samples did not correspond to any target chemicals. Tire particles clearly contain and can leach complex mixtures of toxic chemicals to the environment. Although some known chemicals contribute to estrogenic, genotoxic, and antibacterial hazards, unidentified toxic chemicals are still present and deserve further investigation. Overall, our study expands the understanding of potential adverse effects from tire particles and helps improve the link between those effects and the responsible chemicals. Environ Toxicol Chem 2024;43:1962–1972. © 2024 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Chemicals leaching from cryogenically milled tire tread detected by high-performance thin-layer chromatography bioassays. 6PPD = N-(1,3-dimethylbutyl)-N′-phenyl-p-phenylenediamine; DPG = diphenylguanidine.
ChatGPT, Bard, Bing Chat, and Claude generate feedback for Chinese as foreign language writing: A comparative case study
Authors: Obaidoon Saleh , Wei Haiping 
Published: June 2024

AbstractThis comparative case study analyzes and evaluates the performance of four prevalent artificial intelligence (AI) models―ChatGPT, Google Bard, Microsoft Bing, and Claude―in generating feedback on Chinese as a Foreign Language writing. The study assessed the models' effectiveness, accuracy, alignment with pedagogical principles, and cultural appropriateness through a multi‐faceted data collection process involving student article writing, chatbot feedback, and teacher evaluation. The quantitative analysis of teacher ratings indicates that Claude demonstrated the highest average alignment with human instructor scores across the four articles, followed by Google Bard. Qualitative examination reveals differences in the types of feedback provided, with models excelling at surface‐level vocabulary, grammar, and mechanics critiques but limited in providing rhetorical, pragmatic, and structural feedback compared to teachers. While showing potential benefits, judicious integration of AI writing feedback tools upholding academic integrity is advised. This paper utilizes non‐Pro subscription plans for its research, ensuring accessibility by teachers or students without any cost. The date of access for these chatbots was September 20, 2023. The AI models used include ChatGPT based on OpenAI's GPT‐3.5 architecture with a knowledge cut‐off in January 2022, without Internet browsing capabilities; Google Bard from the Gemini family, version 1.0, which integrates internet‐based search; Microsoft Copilot (Balanced mode), which evolved from Bing Chat, providing information and content generation; and Claude version 2. This approach ensures the study's findings are applicable and replicable for educators and students utilizing freely available resources.
Blueshift of the CN stretching vibration of acetonitrile in solution: computational and experimental study
Authors: Muniz‐Miranda Francesco , Pedone Alfonso , Menziani Maria Cristina 
Published: June 2024

AbstractAcetonitrile, a polar molecule that cannot form hydrogen bonds on its own, interacts with solvent molecules mainly through the lone pair of its nitrogen atom and the π electrons of its CN triple bond [Correction added on 17 July 2024, after first online publication: Acetole has been changed to Acetonitrile in the preceeding sentence.]. Interestingly, acetonitrile exhibits an unexpected strengthening of the triple bond's force constant in an aqueous environment, leading to an upshift (blueshift) in the corresponding stretching vibration: this effect contrasts with the usual consequence of hydrogen bonding on the vibrational frequencies of the acceptor groups, that is, frequency redshift. This investigation elucidates this phenomenon using Raman spectroscopy to examine the behavior of acetonitrile in organic solvent, water, and silver ion aqueous solutions, where an even more pronounced upshift is observed. Raman spectroscopy is particularly well suited for analyzing aqueous solutions due to the minimal scattering effect of water molecules across most of the vibrational spectrum. Computational approaches, both static and dynamical, based on Density Functional Theory and hybrid functionals, are employed here to interpret these findings, and accurately reproduce the vibrational frequencies of acetonitrile in different environments. Our calculations also allow an explanation for this unique behavior in terms of electric charge displacements. On the other hand, the study of the interaction of acetonitrile with water molecules and metal ions is relevant for the use of this molecule as a solvent in both chemical and pharmaceutical applications.
Dose‐dependent effect of megestrol acetate supplementation in cancer patients with anorexia–cachexia syndrome: A meta‐analysis
Authors: Talebi Sepide , Zeraattalab‐Motlagh Sheida , Barkhordar Maryam , Vaezi Mohammad , Ghoreishy Seyed Mojtaba , Ghavami Abed , Hosseini Yasaman , Travica Nikolaj , Mohammadi Hamed 
Published: June 2024

AbstractThere is inconsistent evidence relating to the effects of megestrol acetate (MA) supplementation on cancer patients suffering from anorexia–cachexia syndrome. This review aimed to examine the dose–response effect of MA supplementation in patients with cancer‐associated anorexia/cachexia. Relevant keywords were searched in PubMed, Scopus and ISI Web of Science from inception to June 2023 for randomized controlled trials (RCTs) examining the effect of MA on pathologies in patients with cancer‐associated cachexia. Our primary outcomes were changes in body weight and appetite. However, fatigue and quality of life were secondary outcomes. The mean difference (MD) and 95% confidence interval (95% CI) were estimated using the random‐effects method. Thirteen trials comprising 1229 participants (mean age 60 years) were identified. The results of our highest versus lowest analysis revealed that MA supplementation was not associated with any increase in body weight (MD: 0.64 kg, 95% CI [−0.11, 1.38], P = 0.093, I2 = 69.1%; GRADE = very low certainty). Twelve trials, including 14 effect sizes derived from 1369 patients (intervention = 689, control = 680), provided data on the effect of MA on body weight. Subgroup analyses showed a significant increase in body weight following short‐term intervention (≤8 weeks) and a combination of radiation/chemotherapy as concurrent treatment. A linear dose–response meta‐analysis indicated that each 200 mg/day increment in MA consumption had a significant increase in weight gain (MD: 0.44; 95% CI [0.13, 0.74], P = 0.005; I2 = 97.1%); however, the magnitude of the effect was small. MA administration significantly affected the quality of life based on pooled effect sizes (MD: 1.15, 95% CI [0.76, 1.54], P < 0.001, I2 = 0%; n = 2 RCTs including 176 patients; GRADE = very low certainty). However, no significant effect of MA supplementation was observed on appetite (MD: 0.29, 95% CI [−0.05, 0.64], P = 0.096, I2 = 18.3%; n = 3 RCTs including 163 patients; GRADE = very low certainty) and fatigue (MD: 0.14, 95% CI [−0.09, 0.36], P = 0.236, I2 = 0%; n = 2 RCTs including 300 patients; GRADE = very low certainty). With very low certainty of the evidence, MA supplementation may not lead to a significantly increased weight gain and other outcomes.
Challenges in implementing community‐based dental education programs in Australia: The lived experiences of program coordinators
Authors: Taylor Millicent R. , Carr Sandra E. , Kujan Omar 
Published: June 2024

AbstractPurposeThe benefits of community‐based dental education (CBDE) are well documented and reach far beyond students' educational growth, encompassing advantages for both dental schools and their community partners. Nonetheless, barriers associated with administering CBDE programs can have a significant impact on program outcomes. This study aims to explore the challenges faced by dental school CBDE coordinators in implementing and managing their programs.MethodsThis Interpretive Phenomenological study employed in‐depth semi‐structured interviews with CBDE program coordinators from Australian dental schools (n = 6). Interviews, conducted between February and May 2023, via Microsoft Teams, were audio and video recorded and lasted an average of one hour each. Interviews were analyzed using NVivo 13. Questions explored administrative challenges, required resources, student management issues, and development goals for CBDE programs.ResultsData analysis included deductive and inductive coding through a seven‐step iterative process, organizing information into codes and sub‐codes, forming emerging themes. Four major themes with subthemes emerged: 1) Program administration, encompassing challenges in scheduling, coordinating, and adapting to changes; 2) Funding, crucial for establishing and maintaining remote educational sites; 3) Student experience management, highlighting student supervision, student behavior, and exposure; and 4) Partner site relationships, particularly in clinical supervisor recruitment and training.ConclusionThe successful implementation requires meticulous planning, effective coordination, and recognition of CBDE as an educational activity that should be grounded in evidence‐based pedagogy. Dental institutions are therefore encouraged to establish collaborative partnerships with local community organizations, allocate resources for outreach initiatives, and facilitate appropriate guidance to coordinators, students, and external clinical supervisors.
Intra‐articular corticosteroids for the treatment of osteoarthritis: A systematic review and meta‐analysis on the comparison of different molecules and doses
Authors: Bensa Alessandro , Salerno Manuela , Moraca Giacomo , Boffa Angelo , McIlwraith C. Wayne , Filardo Giuseppe 
Published: June 2024

AbstractPurposeThe purpose of this study was to quantify and compare the clinical relevance of the different intra‐articular corticosteroids (CS) effects in vivo for osteoarthritis (OA) treatment.MethodsThe search was conducted on PubMed, Cochrane, and Web of Science in October 2023. The PRISMA guidelines were used. Inclusion criteria: animal or human randomized controlled trials (RCTs), English language and no time limitation, on the comparison of different intra‐articular CS for OA treatment. The articles' quality was assessed using the Cochrane RoB2 and GRADE guidelines for human RCTs, and SYRCLE's tool for animal RCTs.ResultsEighteen RCTs were selected (16 human and 2 animal studies), including 1577 patients (1837 joints) and 31 animals (51 joints). The CS used were triamcinolone (14 human and 2 animal studies), methylprednisolone (7 human and 1 animal study), betamethasone (3 human studies) and dexamethasone (1 human study). All studies addressed knee OA except for three human and one animal study. A meta‐analysis was performed on the comparison of methylprednisolone and triamcinolone in humans with knee OA analysing VAS pain at very short‐ (≤2 weeks), short‐ (>2 and ≤4 weeks), mid‐ (>4 and ≤8 weeks), long‐ (>8 and ≤ 12 weeks), and very long‐term (>12 and ≤24 weeks). Triamcinolone showed better post‐injection values compared to methylprednisolone at very short‐term (p = 0.028). No difference in terms of VAS improvement was observed at any follow‐up.ConclusionsThe available preclinical and clinical literature provides limited evidence on the comparison of different CS, hindering the possibility of determining the best CS approach in terms of molecule and dose for the intra‐articular injection of OA joints.Level of EvidenceLevel I.
Evaluating the Biocontrol Efficacy and Antioxidant Potential of Phellinus caribaeo‐quercicola—A First Report Dual‐Action Endophyte From Inula racemosa Hook. F.
Authors: Majid Misbah , Wani Abdul H. , Ganai Bashir A. 
Published: June 2024

ABSTRACTPhellinus caribaeo‐quercicola is a basidiomycetous fungus, isolated as an endophyte in this study from the healthy and symptomless leaves of Inula racemosa Hook. f., an important medicinal herb growing in Kashmir Himalaya. This study combines morphological, molecular and phylogenetic techniques to identify the fungal endophyte, using the ITS sequence of nrDNA. A detached leaf assay was conducted to assess the pathogenicity of the fungal endophyte suggesting its mutually symbiotic relationship with the host. The authors also investigated the antifungal potential of the isolated endophytic strain to ascertain its use as a biocontrol agent. The study shows that P. caribaeo‐quercicola INL3‐2 strain exhibits biocontrol activity against four key fungal phytopathogens that cause significant agronomic and economic losses: Aspergillus flavus, Aspergillus niger, Fusarium solani, and Fusarium oxysporum. Notably, P. caribaeo‐quercicola INL3‐2 strain is highly effective against A. flavus, with an inhibition percentage of 57.63%. In addition, this study investigates the antioxidant activity of P. caribaeo‐quercicola INL3‐2 strain crude extracts using ethyl acetate and methanol as solvents. The results showed that the methanolic fraction of P. caribaeo‐quercicola exhibits potential as an antioxidant agent, with an IC50 value of 171.90 ± 1.15 µg/mL. This investigation is first of its kind and marks the initial report of this fungal basidiomycete, P. caribaeo‐quercicola, as an endophyte associated with a medicinal plant. The findings of this study highlight the potential of P. caribaeo‐quercicola INL3‐2 strain as a dual‐action agent with both biocontrol and antioxidant properties consistent with the medicinal properties of Inula racemosa. This endophytic fungus could be a promising source of natural compounds for use in agriculture, medicine, and beyond.