bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enantioselective Electrocatalysis for Cross‐Dehydrogenative Heteroarylation with Indoles, Pyrroles, and Furans
Authors: Liang Kang , Li Ning , Liu Minghao , Song Jin , Guo Chang 
Published: October 2024

AbstractOxidative cross‐dehydrogenative C−H/C−H functionalizations represent an exemplary approach for synthesizing carbonyl compounds via α‐heteroarylation. Here we present the development of a direct anodic oxidative coupling process between 2‐acylimidazoles and divergent heterocyclic systems including indole, pyrrole, and furan, facilitated by ferrocene‐assisted asymmetric nickel electrocatalysis with high levels of enantioselectivity. Mechanistic investigations indicate that the reaction initially involves the formation of a chiral Ni‐bound α‐carbonyl radical, which is then captured by the heteroarene radical cation via intermolecular stereoselective radical/radical cation coupling. The mild, scalable, and robust reaction conditions allow for a broad substrate scope and excellent functional group tolerance, enabling access to a wide range of chiral hetero‐compounds. The consequential α‐heteroaromatic carbonyl products can potentially be transformed into a plethora of synthetically valuable frameworks, as exemplified by their application in the asymmetric total synthesis of (−)‐COX‐2 inhibitor, (+)‐acremoauxin A, and (+)‐pemedolac.
Catalytic Dearomative [1,5]‐Sigmatropic Carbon Shift of Heterole‐Fused Norcaradienes Enabled Concise Helicenation
Authors: Bi Hongyan , Shen Chaoren , Wang Sunewang R. 
Published: October 2024

AbstractIn contrast to the locked fluxionality of norcaradienes fused by benzene, unexplored less aromatic heterole‐fused norcaradienes, creatively generated by intramolecular hydroarylation of heteroaryl alkynylcyclopropanes, reserve a balancing fluxionality that permits a dearomative [1,5]‐sigmatropic carbon shift of norcaradienes akin to the reduced aromaticity of heterole. This “walk” shift was confirmed by the isolation of a cycloheptatriene species derived from ring‐expansion of a dearomatized alkynylated heterole‐fused norcaradiene. A following ester‐directed ring‐opening rearomatization of these dearomatized heterole‐fused norcaradienes gives the products featuring migratory acylmethyls that are competent for helicenation with the neighboring (hetero) arenes via (formal) dehydrative alkenylation. Such balancing reactivity of heterole‐fused norcaradienes will open up the opportunity for the development of controllable reactions of fused norcaradienes.
Synthesis of reaction promoters for epoxy polymerization: Enhancing storage stability and mechanical properties of one‐pot epoxy systems
Authors: Lee Da Young , Kim Hye‐Jin , Kim Hyeon‐Gook , Tayebi Meysam , Kim Jong‐Hyun , Yu Seoyoon , Chung Ildoo , Lim Choong‐Sun , Seo Bongkuk 
Published: October 2024

AbstractOne‐pot epoxy formulations, containing uncured resin, curing agent, and promoter, require the promoter to be insoluble in the resin at room temperature to prevent premature polymerization. Here, we introduce three novel reaction promoters synthesized by reacting amino propyl imidazole (API) and various diisocyanates such as HMDI, IPDI, or MDI. We evaluate the impact of these promoters on the physical properties, storage stability, and curing kinetics of the resulting epoxy formulations. The results of the kinetic study showed that the compositions containing each synthesized promoter acted as reaction promoters, as evidenced by the lower activation energy in the differential scanning calorimetry (DSC) experiment. The results of the mechanical properties showed that HMDI‐API promoter improved both tensile and flexural strength, while exhibiting high storage stability. The findings provide valuable insights for selecting suitable promoters for specific applications in one‐pot epoxy systems.
Trends in New Use of Disease‐Modifying Antirheumatic Drugs for Juvenile Idiopathic Arthritis Among Commercially Insured Children in the United States from 2001 to 2022
Authors: Yalamanchili Priyanka , Lee Lydia Y. , Bushnell Greta , Mannion Melissa L. , Dave Chintan V. , Horton Daniel B. 
Published: October 2024

ObjectiveThe objective of this study is to describe recent trends in disease‐modifying antirheumatic drug (DMARD) use for children with juvenile idiopathic arthritis (JIA) in the United States.MethodsWe used commercial claims data (2000–2022) to perform a serial cross‐sectional utilization study of children aged 1 to 18 that were diagnosed with JIA. Initiations of conventional synthetic DMARDs (csDMARDs), biologic DMARDs (bDMARDs), or targeted synthetic DMARDs (tsDMARDs) were identified after a ≥12‐month baseline and expressed as a percentage of all new DMARD initiations per year, by category, class, and individual agent. Trends were evaluated using linear regression. We also examined the first bDMARDs and tsDMARDs initiated after csDMARD monotherapy.ResultsWe identified 20,258 new DMARD use episodes among 13,696 individuals (median age 14 years, 67.5% female). csDMARDs, although most used overall, declined from 89.5% of new use episodes to 43.2% (2001–2022, P < 0.001 for trend). In contrast, bDMARD use increased (10.5–50.0%, P < 0.001). For tumor necrosis factor inhibitors (TNFi), etanercept peaked at 28.3% in 2006 and declined to 4.2% in 2022 (P = 0.002). Meanwhile, adalimumab use doubled (7.0–14.0%, 2007–2008) after JIA approval, increasing further following a less painful formulation release (20.5% in 2022, P < 0.001). However, overall TNFi use has declined with increasing use of other bDMARDs and tsDMARDs, particularly ustekinumab, secukinumab, and tofacitinib. By 2022, adalimumab was the most common b/tsDMARD initiated first after csDMARDs (77.8%).ConclusionAmong commercially insured children with JIA in the United States, new b/tsDMARD use is rising and new csDMARD use is declining. For b/tsDMARDs, adalimumab is most used and is the predominant b/tsDMARD initiated first after csDMARDs. Patterns in DMARD use for JIA have evolved relative to multiple factors, including regulatory approvals and tolerability.
Voice‐over anatomy lectures created by AI‐voice cloning technology: A descriptive article
Authors: Mogali Sreenivasulu Reddy , Ng Olivia , Tan Jia Xin , San Thu Htet , Ng Kian Bee 
Published: October 2024

AbstractThe COVID‐19 pandemic revealed the pivotal role of digital learning and online lecture videos, leading a shift toward blended and flipped classrooms in the post‐pandemic era. This shift calls for development and (or) refreshment of novel online educational resources, such as Voice‐Over PowerPoint (VOPPT) presentations, specifically designed for asynchronous or synchronous learning methods. However, resource limitations often impede the timely delivery of high‐quality instructional materials. In this descriptive article, the use of AI‐voice cloning technology to automate the creation of VOPPT presentation has been explored. Descripts' Overdub tool, an AI‐voice cloning program, was trained on the 15‐min voice sample of an anatomy professor, and the synthesized voice was used to narrate presentations on inguinal canal and extrahepatic biliary anatomy. The educational use of this novel approach was evaluated based on the second‐year undergraduate medical students' qualitative feedback. Voice similarity analysis using Resemblyzer, an open‐source Python tool, showed a high similarity score of 0.92 between the cloned and original voices. Despite this, students raised concerns about the robotic voice, quick pace, punctuation problems, pronunciation difficulties, and expressed reservations about AI‐generated lecture narration. While the cloned voice closely matched the original, the AI‐generated narration fell short of capturing the nuanced details needed for an effective anatomy instruction. This uncovers AI's current limitations in the educational contexts but establishes a foundation for future progress in AI‐voice cloning technologies aimed at enhancing online educational resources for anatomy and medical education.
New delay‐dependent finite‐time stabilization of Takagi–Sugeno fuzzy approaches for delayed nonlinear systems
Authors: El Fezazi Nabil , Fahim Mohamed , Idrissi Said , Farkous Rashid , Alvarez Teresa , Tissir El Houssaine 
Published: October 2024

AbstractIn this paper, the finite‐time stability and stabilization of nonlinear systems with delays is studied, via a Takagi–Sugeno approach. By using a novel Lyapunov–Krasovskii functional and introducing some fuzzy free‐weighting matrices, sufficient conditions are derived, for bounded and differentiable time‐varying delays in terms of an upper bound of the delay derivatives. Then, we achieve closed‐loop stabilization in finite time through an efficient parallel distributed compensation design. The sufficient conditions are formulated as linear matrix inequalities to achieve the desired performance. Finally, the proposed methodology is applied to various case studies, highlighting its significance.
Implementierung von probabilistischen Baugrundmodellen in IFC 2x3 und 4.0
Authors: Wiegel Andreas , Peña‐Olarte Andrés , Cudmani Roberto 
Published: October 2024

AbstractDie Prognose der Unsicherheiten in 3D‐Baugrundmodellen für BIM verbessert die Risikobewertung und Entscheidungsfindung und ermöglicht eine wirtschaftlichere und nachhaltigere Planung und Ausführung von Baumaßnahmen. Basierend auf Open‐Source‐Software wird ein Ansatz zur Implementierung probabilistischer Baugrundmodelle im Industry‐Foundation‐Classes‐ (IFC‐) Datenschema vorgeschlagen. Die Grundlagen von IFC, die für die Erstellung von Fachobjekt‐Geometrien sowie deren Georeferenzierung und Attribuierung erforderlich sind, werden erläutert. Zwei probabilistische 3D‐Modelle, die mit Bohrprofil‐ bzw. Cone‐Penetration‐Test‐ (CPT‐) Daten erstellt wurden, dienen als Anwendungsbeispiele; diese zeigen die prognostizierte Geometrie der Bodenschichten mit den zugehörigen Unsicherheiten basierend auf Volume Pixel (Voxel). Solange Voxel‐Modelle nicht in IFC integriert sind, bieten Isoflächen eine praktikable Zwischenlösung zur Darstellung von Bodenschichten und Unsicherheiten. Eine konsistente Georeferenzierung gewährleistet eine korrekte Positionierung im Koordinationsmodell. Die Modellierung von Baugrund‐ und geotechnischen Daten wird für verschiedene IFC‐Versionen gezeigt. Die aktuelle IFC‐Version 4 verbessert die Oberflächenmodellierung und reduziert die Datenredundanz. Der vorgestellte Ansatz ermöglicht eine maßgeschneiderte Implementierung probabilistischer Baugrundmodelle in IFC und eine effizientere Zusammenarbeit der an der Erstellung des BIM‐Modells beteiligten Experten.
Sustainable Fabrication of Luminescent Zinc Oxide Nanoparticles From Cucumis melo Fruit Peel Extract as Prospective Photocatalytic and Antigermicidal Agent
Authors: Murugesan Umamaheswari , Subramaniyan Vijayakumar , Subramaniyan Prathipkumar , Elavarasan Vidhya , Subramanian Sriram , Raja Mythili , Devanesan Sandhanasamy 
Published: October 2024

AbstractThe focus of current advances in nanotechnology has shifted significantly towards environmentally conscious methods that use harmless ingredients and moderated reaction circumstances to promote equitable development. Zinc oxide nanoparticles (NPs) currently grabbed attention of multiple medical fields owing to their unique ability to safeguard against cellular damage and alleviate serious human diseases via processes related to metabolism. This work focused on the generation of ZnO NPs using the peel of Cucumis melo fruit. The NPs were then analyzed and characterized using UV–Vis spectroscopy. The results indicated that at a wavelength of 352 nm, it was proven that the biosynthesis of ZnO NPs had occurred. The XRD pattern indicated the presence of dense crystal structures. The field emission scanning electron microscope (FE‐SEM) picture confirmed the existence of polygonal‐shaped ZnO NPs. The findings indicate that the produced ZnO NPs possess tough antibacterial properties against Gram‐positive and Gram‐negative microorganisms. When the ZnO NPs were exposed to direct sunshine for 80 min, they showed an 89% dye breakdown efficiency. This research specifically focused on the decomposition of reactivity dyes, with methylene blue dye being used as the target dye. The work demonstrates that the biosynthesis of ZnO NPs has a crucial and versatile role in the biological and environmental sectors.
Elevated endoplasmic reticulum pH is associated with high growth and bisAb aggregation in CHO cells
Authors: McFarland Kevin S. , Hegadorn Kaitlin , Betenbaugh Michael J. , Handlogten Michael W. 
Published: October 2024

AbstractChinese hamster ovary (CHO) bioprocesses, the dominant platform for therapeutic protein production, are increasingly used to produce complex multispecific proteins. Product quantity and quality are affected by intracellular conditions, but these are challenging to measure and often overlooked during process optimization studies. pH is known to impact quality attributes like protein aggregation across upstream and downstream processes, yet the effects of intracellular pH on cell culture performance are largely unknown. Recently, advances in protein biosensors have enabled investigations of intracellular environments with high spatiotemporal resolution. In this study, we integrated a fluorescent pH‐sensitive biosensor into a bispecifc (bisAb)‐producing cell line to investigate changes in endoplasmic reticulum pH (pHER). We then investigated how changes in lactate metabolism impacted pHER, cellular redox, and product quality in fed‐batch and perfusion bioreactors. Our data show pHER rapidly increased during exponential growth to a maximum of pH 7.7, followed by a sharp drop in the stationary phase in all perfusion and fed‐batch conditions. pHER decline in the stationary phase was driven by an apparent loss of cellular pH regulation that occurred despite differences in redox profiles. Finally, we found protein aggregate levels correlated most closely with pHER which provides new insights into product aggregate formation in CHO processes. An improved understanding of the intracellular changes impacting bioprocesses can ultimately help guide media optimizations, improve bioprocess control strategies, or provide new targets for cell engineering.
Late subsequent leukemia after childhood cancer: A report from the Childhood Cancer Survivor Study (CCSS)
Authors: Ghosh Taumoha , Hyun Geehong , Dhaduk Rikeenkumar , Conces Miriam , Arnold Michael A. , Howell Rebecca M. , Henderson Tara O. , McDonald Aaron , Robison Leslie L. , Yasui Yutaka , Ness Kirsten K. , Armstrong Gregory T. , Neglia Joseph P. , Turcotte Lucie M. 
Published: October 2024

AbstractBackgroundSubsequent short‐latency leukemias are well‐described among survivors of childhood cancer. However, late (5–14.9 years from diagnosis, LL) and very late (≥15 years from diagnosis, VLL) subsequent leukemias have not been well studied. We assessed risk factors, prevalence, and outcomes for LL and VLL in the Childhood Cancer Survivor Study cohort.MethodsSubsequent leukemias, among 25,656 five‐year survivors, were self‐reported and confirmed by pathology review. Standardized incidence ratios (SIR) and cumulative incidences were calculated, and relative risks (RR) were estimated using Cox regression for exposures.ResultsSeventy‐seven survivors developed subsequent leukemia, 49 survivors with LL (median time from diagnosis 7.8 years, range 5.0–14.5 years) and 28 with VLL (median time from diagnosis 25.4 years, range 15.9–42.8 years), with a cumulative incidence of 0.23% (95% CI 0.18%–0.30%) 20 years from diagnosis for all subsequent leukemias. The most common leukemia subtypes were acute myeloid leukemia, myelodysplastic syndrome, and chronic myeloid leukemia. Compared to the general population, survivors were at increased risk, for developing LL (SIR 9.3, 95% CI 7.0–12.1) and VLL (SIR 5.9, 95% CI 3.9–8.4). In multivariable relative risk analyses, cumulative epipodophyllotoxin dose >4000 mg/m2 was associated with increased risk for LL and VLL (RR 4.5, 95% CI 2.0–9.9).ConclusionsIn this large series of late subsequent leukemias, survivors of childhood cancer are at increased risk, with no evidence of plateau over time. We observed most risk among survivors who received high cumulative doses of epipodophyllotoxins. Ongoing consideration for this late effect should continue beyond 10 years.
In Vitro Antioxidant and Antifungal Activities of Extracts from Ocimum basilicum Leaves Validated by Molecular Docking and ADMET Analysis
Authors: Vijay Neha , Taleuzzaman Mohamad , Hudda Sharwan , Choudhary Nisha 
Published: October 2024

AbstractThe aim of study is to investigate the various mechanism‐based antioxidant and anti‐fungal properties of a hydroalcoholic extract of Ocimum basilicum L leaves. Additionally, conduct molecular docking to simultaneously validate in vitro activities. Also, perform ADMET analysis to know pharmacokinetic properties and its toxicity for its safety. Prior extract's qualitative analysis has been performed to identify the bioactive compounds by phytochemical tests and GC‐MS analysis. Different mechanism‐based in vitro antioxidant methods are studied; in different methods, different IC50 values have come, which revealed the extract's antioxidant potentials. The antifungal potential of the extract has been observed by performing a modified poison food assay and a time‐killing curve assay. In silico analysis with the human peroxiredoxin 5 enzyme (PDB ID: 1HD2) and secreted aspartic proteinase (PDB ID: 2QZX), which predict extract biological activity, has shown promising results of Ocimum basilicum L extract. In silico findings confirm the in vitro experimental outcome of the extract. The different IC50 values of extracts in different mechanisms indicate their therapeutic potential, and that encourages further research in formulation development. The time‐killing assay method gives information about a dynamic interaction between extract and microbial strain. Concentration‐dependent antifungal studies have significance in formulation development for dose determination. This study concludes by highlighting the antioxidant and antifungal properties of sweet basil as potential therapeutic benefits with an in‐silico approach.
Medicinal Chemistry Insights in Neuronal Nitric Oxide Synthase Inhibitors Containing Nitrogen Heterocyclic Compounds: A Mini Review
Authors: Bojovic Dijana , Nikolic Milos , Nedeljkovic Nikola , Vesovic Marina , Zivanovic Ana , Karovic Marko 
Published: October 2024

AbstractMany scientific reports over the last two decades have focused on the discovery and development of novel nNOS inhibitors. The structural identity of isoforms, bioavailability, pharmacokinetic, and safety profile issues remain major obstacles in the discovery of more potent and selective nNOS inhibitors. This review aims to provide an in‐depth overview of the molecular interaction patterns between nNOS active site and inhibitors containing structurally diverse nitrogen heterocyclic compounds and highlight the structural properties needed to develop selective nNOS inhibitors. Previously published data allowed the usage of the structure‐driven approach in the designing of selective nNOS inhibitors, which relies on the specific structural features required to achieve isoform‐selectivity towards nNOS. The incorporation of chiral pyrrolidine ring, two aminopyridine heads, or a specific amino tail group, along with the inhibitor's capacity to adopt the curled conformation in the nNOS environment significantly strengthens the molecular interaction between the inhibitor and nNOS residues by forming specific electrostatic interactions and non‐bonded contacts that are vital for isoform selectivity. Additional structure‐activity relationship investigations are necessary to elucidate more structural characteristics that will ultimately resolve the exact structural basis required for isoform‐selective inhibition of nNOS.
SAICR‐CTO: Single Access Impella‐Guided Complete Revascularization in Chronic Total Occlusion—A Novel Approach to High‐Risk PCI
Authors: Sharma Vaibhav , Arokiadoss Abishek , Bhardwaj Anjali , Shamim Shariq 
Published: October 2024

ABSTRACTThe Impella is a ventricular assist device (VAD) that provides circulatory assistance to patients with impaired heart function during percutaneous coronary intervention (PCI). It ejects blood from the left ventricle directly into the aorta. Although most cases of Impella‐assisted PCI are done using two access ports, the single access technique was described by Jason Wollmuth et al. An inherent drawback of multiple access is the heightened susceptibility to vascular complications like thrombosis, hematoma, pseudoaneurysm, and retroperitoneal bleeding. Single access for high‐risk PCI (SHiP) reduces complications from PCI access and is useful in patients with limited arterial access. This study presents a case of extension of SHiP technique used in a case of complex high‐risk intervention and CTO with dual access using an Impella single‐access sheath.
Emergent Behavior of a Photoswitchable Solute in a Biphasic Solvent System
Authors: Cvrtila Ivica , Otto Sijbren 
Published: October 2024

AbstractDue to thermal E/Z isomerization, hydrazones in solution typically exist in thermodynamic equilibria between their isomers. Irradiation of such solutions leads to photostationary states that may differ from the equilibrium distribution. Operating such switchable hydrazones in a biphasic system of two immiscible solvents introduces three new degrees of freedom: the E/Z equilibrium in the second solvent and two equilibria for distribution of each of the isomers between the solvents. Irradiation of such a system can be performed in three different ways – the first solvent only, the second solvent only, and both solvents at once – all yielding distinct outcomes. Depending on the choice of materials and the mode of irradiation, such setup may lead to different emergent behaviors that are not immediately intuitive, including net cyclic transport or the accumulation of one photoswitched product in one of the phases, beyond what is reachable by irradiating a simple solution of the same photoswitch.
Application of Advanced Microscopy Techniques to the Characterization of Mixed Matrix Membranes
Authors: Poloneeva Daria , Gascon Jorge 
Published: October 2024

AbstractMixed matrix membranes (MMMs) have emerged as promising materials for various separation processes due to their tunable properties, enhanced separation performance and reproducibility. In this review paper, we provide a comprehensive overview of the methodologies, challenges, and applications associated with the characterization of MMMs using two advanced imaging techniques: Focused Ion Beam Scanning Electron Microscopy (FIB‐SEM) and Transmission Electron Microscopy (TEM). We begin by outlining the principles and capabilities of FIB‐SEM and TEM, emphasizing their suitability for studying the microstructure, morphology, and composition of MMMs at nanoscale resolution. Subsequently, we discuss the specific challenges and limitations encountered in the characterization of MMMs using these techniques, including sample preparation, image acquisition, and data interpretation. Furthermore, we review the diverse applications of FIB‐SEM and TEM in elucidating the structure‐property relationships of MMMs. Through illustrative examples, we highlight the valuable insights gained from these imaging techniques in optimizing MMMs for various separation applications. Finally, we propose future directions and emerging trends in MMM characterization, including the integration of lasers into FIB‐SEM and in situ characterization techniques, to address current challenges and push the boundaries of MMM design and performance. Overall, this review provides a comprehensive overview of the state‐of‐the‐art methodologies for characterizing MMMs using FIB‐SEM and TEM, identifies key challenges, and offers insights into future research directions aimed at harnessing the full potential of MMMs for sustainable separation technologies.