bluuebunny/crossref_metadata_2025_split huggingface dataset:
Natural history of histologically benign PIRADS 4–5 lesions in multiparametric MRI: Real‐life experience in an academic center
Authors: Madendere Serdar , Kilic Mert , Zoroglu Hatice , Sarikaya Ahmet Furkan , Veznikli Mert , Coskun Bilgen , Armutlu Ayse , Kulac Ibrahim , Gürses Bengi , Kiremit Murat Can , Baydar Dilek Ertoy , Canda Abdullah Erdem , Balbay Mevlana Derya , Vural Metin , Kordan Yakup , Esen Tarik 
Published: June 2024

AbstractIntroductionThe follow‐up findings of patients who underwent prostate biopsy for prostate image reporting and data system (PIRADS) 4 or 5 multiparametric magnetic resonance imaging (mpMRI) findings and had benign histology were retrospectively reviewed.MethodsThere were 190 biopsy‐naive patients. Patients with at least 12 months of follow‐up between 2012 and 2023 were evaluated. All MRIs were interpreted by two very experienced uroradiologists. Of the patients, 125 had either cognitive or software fusion MR‐targeted biopsies with 4 + 8/10 cores. The remaining 65 patients had in‐bore biopsies with 4–5 cores. Prostate‐specific antigen (PSA) levels below 4 ng/mL were defined as PSA regression following biopsy. PIRADS 1–3 lesions on new MRI images were classified as MRI regression.ResultsMedian patient age and PSA were 62 (39–82) years and six (0.4–33) ng/mL, respectively, at the initial work‐up. During a median follow‐up period of 44 months, 37 (19.4%) patients were lost to follow‐up. Of the remaining 153 patients, 82 (53.6%) had persistently high PSA. Among them, 72 (87.8%) had repeat mpMRI within 6–24 months which showed regressive findings (PIRADS 1–3) in 53 patients (73.6%) and PIRADS 4–5 index lesion persistence in 19 cases (26.4%). The latter group was recommended to have rebiopsy. Of these 19 patients, 16 underwent MRI‐targeted rebiopsy. Prostate cancer was diagnosed in six (37.5%) patients and of these four (25%) were clinically significant (>Grade Group 1). Totally, clinically significant prostate cancer was detected in 4/153 (2.6%) patients followed up.ConclusionPatients should be warned against the relative relaxing effect of a negative biopsy after identification of PIRADS 4–5 index lesion. While PSA decrease was observed in many patients during follow‐up, persistent MRI findings were present in nearly a quarter of patients with persistently high PSA. A rebiopsy is warranted in these patients, with significant prostate cancer diagnosed in a quarter of patients with rebiopsy.
microRNA‐8514‐5p regulates adipokinetic hormone/corazonin‐related peptide receptor to affect development and reproduction of Plutella xylostella
Authors: Pang Senbo , Wang Shuo , Asad Muhammad , Yu Jiajing , Lin Guifang , Chen Jinzhi , Sun Cuiying , Huang Pengrong , Chang Yanpeng , Wei Hui , Yang Guang 
Published: June 2024

AbstractBACKGROUNDDicer1 plays a crucial role in regulating the development and reproduction of insects. Knockout of Dicer1 causes pupal deformity, low eclosion and low fecundity in Plutella xylostella, but the mechanism behind this phenomenon is not clear. This study aims to identify differentially‐expressed genes and miRNAs in the Dicer1‐knockout strain (ΔPxDcr‐1) and assess their impact on the reproduction and development of P. xylostella.RESULTSThe knockout of Dicer1 affected the expression of genes including the adipokinetic hormone/corazonin‐related peptide receptor (PxACPR). The expression of PxACPR was upregulated, and the expression of miR‐8514‐5p was downregulated in ΔPxDcr‐1 of P. xylostella. The dual luciferase reporter assay and pull‐down assay showed that miR‐8514‐5p bound to PxACPR in vitro and in vivo. The expression profiles demonstrated a negative correlation between PxACPR mRNA and miR‐8514‐5p in different developmental stages of the wild‐type strain. Both the miR‐8514‐5p agomir and double‐stranded RNA of ACPR (dsPxACPR) injected into the pre‐pupae inhibited the mRNA level of PxACPR, causing high mortality and deformity of pupae, and low fecundity and hatching rate, which were consistent with the phenotype of ΔPxDcr‐1. The injection of miR‐8514‐5p antagomir caused a similar phenotype to the injection of miR‐8514‐5p agomir. Additionally, the injection of miR‐8514‐5p antagomir significantly rescued the phenotype caused by dsPxACPR.CONCLUSIONThese results indicate that miR‐8514‐5p affects the development and reproduction of P. xylostella by regulating PxACPR, and the homeostasis of PxACPR expression is essential for the development and reproduction of P. xylostella. © 2024 Society of Chemical Industry.
Combining data on the bioavailability of midazolam and physiologically‐based pharmacokinetic modeling to investigate intestinal CYP3A4 ontogeny
Authors: Johnson Trevor N. , Batchelor Hannah K. , Goelen Jan , Horniblow Richard D. , Dinh Jean 
Published: June 2024

AbstractPediatric physiologically‐based modeling in drug development has grown in the past decade and optimizing the underlying systems parameters is important in relation to overall performance. In this study, variation of clinical oral bioavailability of midazolam as a function of age is used to assess the underlying ontogeny models for intestinal CYP3A4. Data on midazolam bioavailability in adults and children and different ontogeny patterns for intestinal CYP3A4 were first collected from the literature. A pediatric PBPK model was then used to assess six different ontogeny models in predicting bioavailability from preterm neonates to adults. The average fold error ranged from 0.7 to 1.38, with the rank order of least to most biased model being No Ontogeny < Upreti = Johnson < Goelen < Chen < Kiss. The absolute average fold error ranged from 1.17 to 1.64 with the rank order of most to least precise being Johnson > Upreti > No Ontogeny > Goelen > Kiss > Chen. The optimal ontogeny model is difficult to discern when considering the possible influence of CYP3A5 and other population variability; however, this study suggests that from term neonates and older a faster onset Johnson model with a lower fraction at birth may be close to this. For inclusion in other PBPK models, independent verification will be needed to confirm these results. Further research is needed in this area both in terms of age‐related changes in midazolam and similar drug bioavailability and intestinal CYP3A4 ontogeny.
A narrative review on the mechanism of natural flavonoids in improving glucolipid metabolism disorders
Authors: Niu Wenjing , Feng Yongshi , Peng Minwen , Cai Jinyan 
Published: June 2024

AbstractGlucolipid metabolism disorder (GLMD) is a complex chronic disease characterized by glucose and lipid metabolism disorders with a complex and diverse etiology and rapidly increasing incidence. Many studies have identified the role of flavonoids in ameliorating GLMD, with mechanisms related to peroxisome proliferator‐activated receptors, nuclear factor kappa‐B, AMP‐activated protein kinase, nuclear factor (erythroid‐derived 2)‐like 2, glucose transporter type 4, and phosphatidylinositol‐3‐kinase/protein kinase B pathway. However, a comprehensive summary of the flavonoid effects on GLMD is lacking. This study reviewed the roles and mechanisms of natural flavonoids with different structures in the treatment of GLMD reported globally in the past 5 years and provides a reference for developing flavonoids as drugs for treating GLMD.
A perfectly imperfect engine: Utilizing the digital twin paradigm in pulmonary hypertension
Authors: Walker Melody , Moore Helen , Ataya Ali , Pham Ann , Corris Paul A. , Laubenbacher Reinhard , Bryant Andrew J. 
Published: June 2024

AbstractPulmonary hypertension (PH) is a severe medical condition with a number of treatment options, the majority of which are introduced without consideration of the underlying mechanisms driving it within an individual and thus a lack of tailored approach to treatment. The one exception is a patient presenting with apparent pulmonary arterial hypertension and shown to have vaso‐responsive disease, whose clinical course and prognosis is significantly improved by high dose calcium channel blockers. PH is however characterized by a relative abundance of available data from patient cohorts, ranging from molecular data characterizing gene and protein expression in different tissues to physiological data at the organ level and clinical information. Integrating available data with mechanistic information at the different scales into computational models suggests an approach to a more personalized treatment of the disease using model‐based optimization of interventions for individual patients. That is, constructing digital twins of the disease, customized to a patient, promises to be a key technology for personalized medicine, with the aim of optimizing use of existing treatments and developing novel interventions, such as new drugs. This article presents a perspective on this approach in the context of a review of existing computational models for different aspects of the disease, and it lays out a roadmap for a path to realizing it.
Maximal entropy prior for the simple step‐stress accelerated test
Authors: Moala Fernando Antonio , Chagas Karlla Delalibera 
Published: June 2024

AbstractThe step‐stress procedure is a popular accelerated test used to analyze the lifetime of highly reliable components. This paper considers a simple step‐stress accelerated test assuming a cumulative exposure model with uncensored lifetime data following a Weibull distribution. The maximum likelihood approach is often used to analyze accelerated stress test data. Another approach is to use the Bayesian inference, which is useful when there is limited data available. In this paper, the parameters of the model are estimated based on the objective Bayesian viewpoint using non‐informative priors. Our main aim is to propose the maximal data information prior (MDIP) presented by Zellner (1984) as an alternative prior to the conventional independent gamma priors for the unknown parameters, in situations where there is little or no a priori knowledge about the parameters. We also obtain the Bayes estimators based on both classes of priors, assuming three different loss functions: square error loss function (SELF), linear‐exponential loss function (LINEX), and generalized entropy loss function (GELF). The proposed MDIP prior is compared with the gamma priors via Monte Carlo simulations by examining their biases and mean square errors under the three loss functions, and coverage probability. Additionally, we employ the Markov Chain Monte Carlo (MCMC) algorithm to extract characteristics of marginal posterior distributions, such as the Bayes estimator and credible intervals. Finally, a real lifetime data is presented to illustrate the proposed methodology.
Distributed coordinated speed control of flywheel energy storage matrix systems with model uncertainties and disturbances
Authors: Wei Bo , Chen Chuangui , Xiao Feng , Hong Feng 
Published: June 2024

SummaryThis paper studies a coordinated rotor speed control of flywheel energy storage matrix systems (FESMS) in the presence of model uncertainties and unknown disturbances. We consider the scenarios that the torque variation during the operation of flywheel energy storage system (FESS) cannot be accurately measured and the coordinated operation of FESMS is realized without the measurements of accurate rotor speeds. We design a distributed extended state observer (ESO) only using local rotor position measurements to estimate the rotor speeds and unknown disturbances. Based on the estimated states, a coordinated control strategy with the compensation of model uncertainties and unknown disturbances is proposed. The proposed control strategy has the advantage of speed‐free feature and active disturbance rejection. By using Lyapunov stability theory, sufficient conditions are given to ensure that the FESMS can achieve the reference tracking. The performance of the control strategy is verified by simulations.
Solvent‐Free Oxidation of Benzyl Alcohol Using Modified Zeolitic Imidazolate Frameworks‐8 (ZIF‐8) Catalysts
Authors: Arrozi Ubed S. F. , Pratama Rafi , Soraya Fathimah , Permana Yessi , Hartina Siti , Salduna Eunike , Lestari Witri Wahyu , Ciptonugroho Wirawan , Budiman Yudha P. 
Published: June 2024

AbstractSelective oxidation of alcohols towards carbonyl‐based products, such as aldehydes, is a subject of significant interest in the field of catalysis. Herein, a Zn‐based MOF with 2‐methylimidazolate linker (ZIF‐8) is modified and introduced as catalysts in a selective oxidation of alcohol with benzyl alcohol as the model of the reaction. Modification of ZIF‐8 includes the inclusion of Co(II), Cu(II) or Ni(II) ions as partial replacements for the original Zn(II) metal ions during the synthesis process. The resulting modified ZIF‐8 displays similar PXRD patterns to that of ZIF‐8, indicating no alteration of structures after the introduction of Co(II), Cu(II) or Ni(II) ions. However, the addition of Co(II) was found to modify the resulting ZIF‐8 composition to a higher extent compared to that of Cu(II) and Ni(II) ions. The catalytic test of benzyl alcohol oxidation was performed in a solvent‐free condition with TBHP as the oxidant. Reaction optimization includes reaction temperature, mass of catalysts, TBHP concentration, and reaction time. Among all the catalysts employed in the oxidation of benzyl alcohol, Co(II)‐ and Cu(II)‐modified ZIF‐8 show the highest catalytic activity with 64 % and 62 % conversion, respectively. Furthermore, the catalyst leaching and recyclability tests show that the reactions proceed in heterogeneous systems.
Lead‐Free Perovskite‐Based Photocatalysts for Solar‐Driven Chemistry Technologies
Authors: Segura Camilo , Flores Mario E. , Osorio‐Román Igor , Jara‐Quinteros Danilo H. , Yoon Seog Joon , Gualdrón‐Reyes Andrés F. 
Published: June 2024

AbstractThe high consumption of fossil fuels and concomitant contamination of the environment have promoted the search for new, low‐cost, and cleaner energy sources to satisfy the current energy demand around the world, decreasing the levels of greenhouse gas emissions to the atmosphere. One of the promising strategies to facilitate the generation of renewable energy involves solar‐driven chemical reactions, by using photocatalysts with improved sunlight absorption and carrier transfer abilities. Lead‐free halide perovskites (LFHPs) are good candidates, showing mesmerizing optical features, modulable band structure, oxidizing/reducing capability, and less toxicity compared to their Pb‐analogous. However, the literature reporting the photo(electro)chemical (PEC) properties of the LFHPs‐based materials for solar energy production is scarce. This review describes the current state‐of‐the‐art exhibiting the influence of the dimensionality, chemical composition and the formation of heterojunctions based on LFHPs on their photo(electro)activity for conducting solar‐driven hydrogen evolution, carbon dioxide (CO2) reduction, and the degradation of recalcitrant pollutants to obtain added‐value chemicals. In this way, it is also included the main challenges to be faced. Furthermore, we address some potential LFHPs to be explored in PEC systems, opening up the gamut of possibilities to consolidate the solar‐to‐chemical transformation as an innovative alternative to favor environmentally friendly energy production.
Solution Combustion Synthesised Cu‐CeO2 Catalysts For CO2 Hydrogenation to Methanol‐ the Effect of the Fuel
Authors: Xaba Bongokuhle S. , Friedrich Holger B. , Singh Sooboo , Mahomed Abdul S. 
Published: June 2024

AbstractThe tunability of structural properties such as oxygen vacancies, Cu surface composition, reducibility of CuO, and basicity by solution combustion synthesised (SCS) Cu‐CeO2 catalysts was investigated. Five different fuels, viz. urea (U), tartaric acid (TA), citric acid (CA), ethylene glycol (EG) and oxalyl dihydrazide (ODH), were employed in the synthesis of the catalysts. Raman spectroscopy, O2‐TPD and XPS revealed that the urea synthesised catalyst had the highest concentration of oxygen vacancies, the amount of which was controlled by the fuel used. The oxygen vacancies were the catalytic sites for CO2 adsorption and promoted electron donation to Cu at the Cu‐CeO2 junction, thus improving H2 adsorption and spillover, which was beneficial for methanol synthesis. The better catalytic performance of the urea synthesised Cu‐CeO2 catalyst with a methanol STY of 163 gCH3OH kg−1cat h−1 compared to the other solution combustion synthesis fuels, was attributable to higher oxygen vacancies, more facile Cu reduction, larger Cu surface area and higher Cu surface composition. Based on the absence of the Cu+ species capable of directing the methanol synthesis reaction through the CO intermediate based on XPS data, we surmised that the formate route was the preferred pathway for the studied Cu‐CeO2 catalysts.
Antimicrobial Nanocomposites from Chitosan and Squash Synthesized Nano‐Selenium Eradicate Skin Pathogens
Authors: Meshref Esraa M. , Omar Amira A. E.‐D. , Moussa Shaaban H. , Alabdalall Amira H. , Al‐Saggaf Mohammed S. , Alalawy Adel I. , Almutairi Fahad M. , Gad Hend A. , Tayel Ahmed A. 
Published: June 2024

AbstractSkin health and protection are paramount in the pursuit of well‐being and beauty. In this study, we introduce an innovative approach to develop skin protectant agents by nanocomposites derived from natural sources, involves the synthesis of selenium nanoparticles (SeNPs) using squash plant mucilage (SqM), and their integration with nano chitosan (NCht) to create a stable, antimicrobial and efficacious composite. The interactions between nanomaterials were proved via infra‐red analysis and electron microscopy. The SqM‐biosynthesized SeNPs had 11.47 nm diameter. Different blends were nanocomposited from NCht and SqM/SeNPs; the NC‐2 nanocomposite (with equal ratios from them) had mean diameter of 241.38 nm and negatively charged. The antimicrobial actions of produced nanomaterials/nanocomposites were validated against skin pathogens, Staphylococcus aureus and Candida albicans, using antimicrobial assays and electron microscopy. The most effectual antimicrobial was NC‐2; the loading of it onto cotton textile provided potent antimicrobial fabrics toward both skin pathogens. The innovative biosynthesis of SeNPs using SqM and their nanocompositing with NCht provided pioneering powerful antimicrobial complexes to control skin pathogens, either through direct interaction or by fabricating hygienic antimicrobial textiles.
Impact of Organic Sulfur on Coal Graphitization
Authors: Li Ruiqing , Tang Yuegang , Liu Suning , Che Qili , Luo Peng , Chen Cong , Xue Liping , Xu Xiaoting 
Published: June 2024

AbstractThe utilization of high‐sulfur coal, especially high‐organic coal, has always been a difficult hot spot in the energy field. To study the influence of sulfur in coal on coal‐based graphite products, a series of coal samples with different sulfur content and different degrees of coalification were collected for proximate analysis, ultimate analysis, and sulfur species analysis. The structural characteristics of coal‐based graphite products were analyzed by X‐ray diffraction (XRD). The relationships between the sulfur in coal and the yield (Y), graphitization degree (G), cell diameter (La), and stacking height (Lc) of coal‐based graphite products were explored. The yield of coal‐based graphite ranges from 8.92 % to 64.45 %, and it was found that the yield of coal‐based graphite is not only affected by the degree of coalification, fixed carbon content, and volatile matter content of coal but also significantly inhibited by organic sulfur in coal when the reflectance is less than 2.00 %. The graphitization degree (G) of coal‐based graphite is distributed between 76.02 % and 91.02 %, and positively related to the degree of coalification, and negatively related to the content of volatile matter. Organic sulfur in coal is an unfavorable factor for the graphitization degree (G) of coal‐based graphite. Both the cell diameter (La) and stacking height (Lc) of coal‐based graphite are positively correlated with the degree of coalification and negatively correlated with the volatile matter content in coal. Organic sulfur in coal plays an important inhibitory role on the cell diameter (La) of coal‐based graphite. Still, it has almost no effect on the stacking height (Lc) of coal‐based graphite, resulting in a low ratio of horizontal‐to‐vertical (La/Lc), which is not conducive to the horizontal development of coal‐based graphite cells.
Cover Picture: (ChemistrySelect 25/2024)
Authors: Muratov Dmitry S. , Luchnikov Lev O. , Saranin Danila S. , Ishteev Artur R. , Kurichenko Vladislav , Kolesnikov Evgeniy A. , Kuznetsov Denis V. , Di Carlo Aldo 
Published: June 2024

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Non‐Fullerene Organic Electron Transport Materials toward Stable and Efficient Inverted Perovskite Photovoltaics
Authors: Wang Han , Zhang Chenyang , Yao Yiguo , Cheng Caidong , Wang Kai 
Published: June 2024

AbstractInverted perovskite solar cells (PSCs) attract continuing interest due to their low processing temperature, suppressed hysteresis, and compatibility with tandem cells. Considerable progress has been made with reported power conversion efficiency (PCE) surpassing 26%. Electron transport Materials (ETMs) play a critical role in achieving high‐performance PSCs because they not only govern electron extraction and transport from the perovskite layer to the cathode, but also protect the perovskite from contact with ambient environment. On the other hand, the non‐radiative recombination losses at the perovskite/ETM interface also limits the future development of PSCs. Compared with fullerene derivatives, non‐fullerene n‐type organic semiconductors feature advantages like molecular structure diversity, adjustable energy level, and easy modification. Herein, the non‐fullerene ETM is systematically summarized based on the molecular functionalization strategy. Various types of molecular design approaches for producing non‐fullerene ETM are presented, and the insight on relationship of chemical structure and device performance is discussed. Meantime, the future trend of non‐fullerene ETM is analyzed. It is hoped that this review provides insightful perspective for the innovation of new non‐fullerene ETMs toward more efficient and stable PSCs.
Nest‐Scheme RuIrLa Nanocrystals by NP‐to‐NP Oriented Assembly: Coherent Strain Fields‐Driven Band Structure Splitting for Efficient Acidic Water Oxidation
Authors: Li Rongchao , Liu Jingjun , Yin Guanwang , Sun Yanhui , Liu Feng , Gan Jun , Gao Shixin 
Published: June 2024

AbstractAtomic substructure engineering provides new opportunities for the designing newly and efficient catalysts with diverse atom ensembles, trimmed electron bands, and way‐out coordination environments, creating unique contributing to concertedly catalyze water oxidation, which is of great significance for proton exchange membrane water electrolysis (PEMWE). Herein, nest‐scheme RuIrLa nanocrystals with dense coherent interfaces as built‐in substructures are firstly fabricated by using commercial ZnO particles as acid‐removable templates, through a La‐stabilized coherent epitaxial growth of nanoparticles (NPs). The obtained nests exhibit a low overpotential of 198 mV at 10 mA cm−2, and the RuIrLa||Pt/C module equipped in PEMWE operates stably at a cell voltage potential of 1.69 V at 100 mA cm−2 in 0.5 M H2SO4 for 55 h, which is far beyond the current IrO2||Pt/C. Within the nests, the position at the interface shows high tensile/compressive strain, significantly reducing the OER activation energy. More importantly, the La termination‐stabilized coherent interfaces within the nests creates a unique self‐healing process for the outstanding long‐term stability. This work provides a promising substructure engineering to develop efficient catalysts with abundant substructures, such as coherent interfaces, dislocations, or grain boundaries, thereby realizing concerted improvement of activity and durability toward water oxidation.