bluuebunny/crossref_metadata_2025_split huggingface dataset:
3D bio scaffold support osteogenic differentiation of mesenchymal stem cells
Authors: Ramzan Faiza , Khalid Shumaila , Ekram Sobia , Salim Asmat , Frazier Trivia , Begum Sumreen , Mohiuddin Omair A. , Khan Irfan 
Published: February 2024

AbstractThe regeneration of osteochondral lesions by tissue engineering techniques is challenging due to the lack of physicochemical characteristics and dual‐lineage (osteogenesis and chondrogenesis). A scaffold with better mechanical properties and dual lineage capability is required for the regeneration of osteochondral defects. In this study, a hydrogel prepared from decellularized human umbilical cord tissue was developed and evaluated for osteochondral regeneration. Mesenchymal stem cells (MSCs) isolated from the umbilical cord were seeded with hydrogel for 28 days, and cell‐hydrogel composites were cultured in basal and osteogenic media. Alizarin red staining, quantitative polymerase chain reaction, and immunofluorescent staining were used to confirm that the hydrogel was biocompatible and capable of inducing osteogenic differentiation in umbilical cord‐derived MSCs. The findings demonstrate that human MSCs differentiated into an osteogenic lineage following 28 days of cultivation in basal and osteoinductive media. The expression was higher in the cell‐hydrogel composites cultured in osteoinductive media, as evidenced by increased levels of messenger RNA and protein expression of osteogenic markers as compared to basal media cultured cell‐hydrogel composites. Additionally, calcium deposits were also observed, which provide additional evidence of osteogenic differentiation. The findings demonstrate that the hydrogel is biocompatible with MSCs and possesses osteoinductive capability in vitro. It may be potentially useful for osteochondral regeneration.
M6A methylation‐regulated autophagy may be a new therapeutic target for intervertebral disc degeneration
Authors: Tao Yuao , Yu Xiaoyu , Li Xiaolong , Xu Yuzhu , Wang Hui , Zhang Lele , Lin Rubing , Wang Yuntao , Fan Pan 
Published: February 2024

AbstractDegeneration of intervertebral discs is considered one of the most important causes of low back pain and disability. The intervertebral disc (IVD) is characterized by its susceptibility to various stressors that accelerate the senescence and apoptosis of nucleus pulposus cells, resulting in the loss of these cells and dysfunction of the intervertebral disc. Therefore, how to reduce the loss of nucleus pulposus cells under stress environment is the main problem in treating intervertebral disc degeneration. Autophagy is a kind of programmed cell death, which can provide energy by recycling substances in cells. It is considered to be an effective method to reduce the senescence and apoptosis of nucleus pulposus cells under stress. However, further research is needed on the mechanisms by which autophagy of nucleus pulposus cells is regulated under stress environments. M6A methylation, as the most extensive RNA modification in eukaryotic cells, participates in various cellular biological functions and is believed to be related to the regulation of autophagy under stress environments, may play a significant role in nucleus pulposus responding to stress. This article first summarizes the effects of various stressors on the death and autophagy of nucleus pulposus cells. Then, it summarizes the regulatory mechanism of m6A methylation on autophagy‐related genes under stress and the role of these autophagy genes in nucleus pulposus cells. Finally, it proposes that the methylation modification of autophagy‐related genes regulated by m6A may become a new treatment approach for intervertebral disc degeneration, providing new insights and ideas for the clinical treatment of intervertebral disc degeneration.
Measurement of Enthalpy and Entropy of a Model Electrocatalyst for the Oxygen Evolution Reaction
Authors: Morales‐Santelices Joaquín , Risch Marcel 
Published: February 2024

AbstractExperimentally determined thermodynamic parameters are rarely reported for electrocatalytic reactions including the oxygen evolution reaction (OER). Yet, they contain unique and valuable mechanistic insight and present a missing link to theoretical investigations. Herein, a protocol for determining thermodynamic properties of the rate determining state and intermediate (RDSI) of the OER is presented. Cobalt oxide is investigated at pH 7 as a case study. Two different approaches are employed: steady state polarization (SSP) that uses chronopotentiometry at different temperatures and current values, and potentiostatic electrochemical impedance spectroscopy (PEIS) at different DC voltages and temperatures. The data is used to fit a 3D plane from which entropy and enthalpy of the RDSI are obtained. The data analysis requires an appropriate filtering of the data. Hence, we discuss suitable figures of merit for establishing appropriate filtering criteria. The values obtained are 0.72 and −0.39 eV (at 298 K) for enthalpic and entropic contributions, respectively. The obtained values are reproducible for both approaches and consistent with literature.
Zn(II)‐Stabilized Azo‐Anion Radical Catalyzed Sustainable C−C Bond Formation: Regioselective Alkylation of Fluorene, Oxindole, and Indoles
Authors: Pal Subhasree , Guin Amit Kumar , Chakraborty Subhajit , Paul Nanda D. 
Published: February 2024

AbstractHerein we report a sustainable approach for the alkylation of ketones, 9H‐fluorene, oxindole, and indole using alcohols as the alkylating agent catalyzed by a well‐defined air‐stable zinc catalyst (1 a) of a tridentate redox non‐innocent arylazo ligand, 2‐((4‐chlorophenyl)diazenyl)‐1,10‐phenanthroline (La). 2–3 mol % of 1 a efficiently produces substituted α‐alkylated ketones, 9‐alkylated fluorenes, C3‐alkylated oxindoles, and C3‐alkylated indoles in moderate to good isolated yields. In aerial condition, the formation of bis(indolyl)methane (BIMs) derivatives were observed when indoles were subjected to alkylation by primary alcohols. A few drug molecules containing BIMs were prepared in good isolated yields. The catalyst 1 a exhibited good chemoselectivity during the functionalization of fluorene and indole with oleyl alcohol and β‐citronellol. A few control experiments, including deuterium labeling experiments, performed to unveil the reaction mechanism indicate that the one‐electron reduced azo‐anion radical species [1 a]‐formed in situ, acts as the active catalyst. All the redox events occur at the redox‐active aryl‐azo ligand, which acts as the reservoir of hydrogen and electrons throughout the catalytic cycle, keeping the Zn(II)‐center as a template.
Electronic Regulation on Ni‐based Catalysts for Efficient CO2 Electroreduction
Authors: Wang Xiaotong , Wei Yiheng , Song Yanfang 
Published: February 2024

AbstractGreen power‐driven CO2 electroreduction using earth‐abundant Ni‐based catalysts is a highly promising approach to fulfill renewable energy storage and a negative carbon cycle. However, metallic Ni nanoparticles and clusters always show severe hydrogen evolution during CO2 electroreduction. Single atomic Ni catalysts demonstrate promising performance for CO2 electroreduction, whereas the very weak binding to intermediates and the very low metal loadings severely limit their activity, efficiency, and practical application. In this concept, we discuss how to regulate the electronic structures of Ni‐based catalysts to enhance the activity and selectivity of CO2 electroreduction. This work will offer instructive guidance in elaborating transition metal catalysts for highly efficient CO2 electroreduction, which may become suitable for future industrial applications.
Molybdenum(0)‐Tricarbonyl Complex Supported by an Azacalix‐pyridine Ligand: Synthesis, Characterization, Surface Deposition and Conversion to a Molybdenum(VI)‐Trioxo Complex with O2
Authors: Clausen Kai Uwe , Schlimm Alexander , Bedbur Katja , Näther Christian , Strunskus Thomas , Fu Ling , Gruber Manuel , Berndt Richard , Tuczek Felix 
Published: February 2024

AbstractAdsorption of metal‐organic complexes on metallic surfaces to produce well‐defined single site catalysts is a novel approach combining the advantages of homogeneous and heterogeneous catalysis. To avoid the “surface trans‐effect” a dome‐shaped molybdenum(0) tricarbonyl complex supported by an tolylazacalix[3](2,6)pyridine ligand is synthesized. This vacuum‐evaporable complex both activates CO and reacts with molecular oxygen (O2) to form a Mo(VI) trioxo complex which in turn is capable of catalytically mediating oxygen transfer. The molybdenum tricarbonyl‐ and trioxo complexes are investigated in the solid state, in homogeneous solution and on noble metal surfaces (Cu, Au) employing a range of spectroscopic and analytical methods.
Synthesis of gem‐Difluorinated Keto‐Sulfoxides from Sulfoxonium Ylides
Authors: Hayashi Marcio , Burtoloso Antonio C. B. 
Published: February 2024

AbstractOrganic molecules containing fluorine and sulfur atoms represent a large percentage of approved pharmaceuticals. Those with combination of both S and F atoms in their structure such as Xtandi, approved in 2012 for prostate cancer, indicates the importance of synthetic methods that accommodates both atoms in an organic moiety. In this study, a novel aspect of sulfoxonium ylide reactivity was explored, unveiling a streamlined and mild synthesis method for gem‐difluorinated keto‐sulfoxides. Our protocol offers a direct and practical approach to prepare these compounds in 14–80 % chemical yields, that were represented by 21 examples. NMR studies and Hammett correlations gave strong evidence about the mechanism of this transformation.
Forschung und Fachkräfte für zukunftsfähige Batteriefabriken
Authors: Kwade Arno 
Published: February 2024

AbstractDie Battery Labfactory Braunschweig (BLB) wurde nun um ein drittes Technikum erweitert, das CircularLab, dessen Schwerpunkt das mechanische Recycling von wertvollen Batteriematerialien wie Kobalt, Lithium, Nickel und Kupfer ist. Im Interview mit CITplus stellt der Vorsitzender des BLB, Prof. Dr. Arno Kwade, die wichtigen Forschungsaufgaben dar und betont dabei, dass in deutschen Forschungszentren wichtiges Know‐how entsteht und unverzichtbare Fachkräfte für zukunftsfähige und im Wettbewerb überlegene Batteriefabriken ausgebildet werden.
Technische Dichtheit von Elektrolyseuren
Authors: Keck Stefan 
Published: February 2024

AbstractFür Anlagen aus Elektrolyseuren mit entsprechender Verrohrungen und weiterer Komponenten müssen Dichtheitsnachweise erbracht werden. Nach der aktuellen TA‐Luft wird der Nachweis rechnerisch mit Helium vorgelegt. Untersuchungen zeigen Abweichungen der Dichtheit bei Wasserstoff als Prüfmedium. Zertifizierte Dichtungsmaterialien können jedoch die Dichtheit von Flanschverbindungen für beide Gase sicherstellen.
Photoinduced Dehalocyclization to Access Oxindoles Using Formate as a Reductant
Authors: Ge Wei , Wang Jia‐Xin , Fu Ming‐Chen , Fu Yao 
Published: February 2024

Comprehensive SummaryHerein, we report an efficient and practical protocol for the photoinduced dehalocyclization of ortho‐halophenylacrylamides with formate by the engagement of a CO2 radical anion to access substituted oxindoles. This method proceeds smoothly under mild conditions and exhibits a wide range of substrate as well as remarkable functional group compatibility.
Effect of a 1‐year physical activity intervention on quality of life, fatigue, and distress in adult childhood cancer survivors—A randomized controlled trial (SURfit)
Authors: Deng Wei H. , Zürcher Simeon J. , Schindera Christina , Jung Ruedi , Hebestreit Helge , Bänteli Iris , Bologna Katja , von der Weid Nicolas X. , Kriemler Susi , Rueegg Corina S. 
Published: February 2024

AbstractIntroductionChildhood cancer survivors (CCS) are at risk of experiencing lower quality‐of‐life, fatigue, and depression. Few randomized controlled trials have studied the effect of physical activity (PA) on these in adult long‐term CCS. This study investigated the effect of a 1‐year individualized PA intervention on health‐related quality‐of‐life (HRQOL), fatigue, and distress symptoms in adult CCS.MethodsThe SURfit trial randomized 151 CCS ≥16 years old, <16 at diagnosis and ≥5 years since diagnosis, identified through the Swiss Childhood Cancer Registry. Intervention participants received personalized PA counselling to increase intense PA by ≥2.5 h/week for 1 year. Controls maintained usual PA levels. The authors assessed physical‐ and mental‐HRQOL, fatigue, and distress symptoms at baseline, 3, 6, and 12 months. T‐scores were calculated using representative normative populations (mean = 50, standard deviation = 10). Generalized linear mixed‐effects models with intention‐to‐treat (ITT, primary), and three per‐protocol allocations were used.ResultsAt 12 months, ITT (–3.56 larger decrease, 95% confidence interval –5.69 to –1.43, p = .001) and two per‐protocol analyses found significantly lower fatigue. Physical‐HRQOL improved significantly in two per‐protocol analyses at 12 months. No other effects were found.ConclusionSURfit showed that increased intense PA over 1 year improved fatigue in adult CCS. Survivors should be recommended PA to reduce the burden of late‐effects.
Gut microbiome in association with chemotherapy‐induced toxicities among patients with breast cancer
Authors: Nguyen Sang M. , Tran Huong T. T. , Long Jirong , Shrubsole Martha J. , Cai Hui , Yang Yaohua , Cai Qiuyin , Tran Thuan V. , Zheng Wei , Shu Xiao‐Ou 
Published: February 2024

AbstractBackgroundLittle research has focused on the relationship between gut microbiome and chemotherapy‐induced toxicity.MethodsThis prospective study involves 301 patients with breast cancer who had prechemotherapy stool samples collected. Gut microbiome was sequenced by shotgun metagenomics; associations with chemotherapy‐induced toxicities during first‐line treatment by gut microbial diversity, composition, and metabolic pathways with severe (i.e., grade ≥3) hematological and gastrointestinal toxicities were evaluated via multivariable logistic regression.ResultsHigh prechemotherapy α‐diversity was associated with a significantly reduced risk of both severe hematological toxicity (odds ratio [OR] = 0.94; 95% CI, 0.89–0.99; p = .048) and neutropenia (OR = 0.94; 95% CI, 0.89–0.99; p = .016). A high abundance of phylum Synergistota, class Synergistia, and order Synergistales were significantly associated with a reduced risk of severe neutropenia; conversely, enrichment of phylum Firmicutes C, class Negativicutes, phylum Firmicutes I, and class Bacilli A, order Paenibacillales were significantly associated with an increased risk of severe neutropenia (p range: 0.012–2.32 × 10–3; false discovery rate <0.1). Significant positive associations were also observed between severe nausea/vomiting and high Chao1 indexes, β‐diversity (p < .05), 20 species belonging to the family Lachnospiraceae, Oscillospiraceae, and Ruminococcaceae (p value range: 6.14 × 10–3 to 1.33 × 10–5; false discovery rate <0.1), and three metabolic pathways involved in reductive tricarboxylic acid cycle I and cycle II, and an incomplete reductive tricarboxylic acid cycle (p < .01). Conversely, a high abundance of species Odoribacter laneus and the pathway related to the L‐proline biosynthesis II were inversely associated with severe nausea/vomiting.ConclusionsOur study suggests that gut microbiota may be a potential preventive target to reduce chemotherapy‐induced toxicity.
Pharmacokinetics and Pharmacodynamics of Etripamil, an Intranasally Administered, Fast‐Acting, Nondihydropyridine Calcium Channel Blocker
Authors: Ip James E. , Wight Douglas , Yue Corinne Seng , Nguyen David , Plat Francis , Stambler Bruce S. 
Published: February 2024

AbstractEtripamil, a fast‐acting nondihydropyridine L‐type calcium channel blocker, is under investigation for potential self‐administration for the acute treatment of supraventricular tachyarrhythmias in a medically unsupervised setting. We report detailed pharmacokinetics and pharmacodynamics of intranasally administered etripamil in healthy adults from 2 Phase 1, randomized, double‐blind studies: Study MSP‐2017‐1096 (sequential dose‐escalation, crossover study design, n = 64) and NODE‐102 (single dose, 4‐way crossover study, n = 24). Validated bioanalytical assays determined plasma concentrations of etripamil and its inactive metabolite. Noncompartmental pharmacokinetic parameters were calculated. Pharmacodynamic parameters were determined for PR interval, blood pressure, and heart rate. Etripamil was rapidly absorbed intranasally, with time to maximal plasma concentration of 5‐8.5 minutes, corresponding to a rapid greater than 10% increase in mean maximum PR interval from baseline within 4‐7 minutes of doses of 60 mg or greater. Following peak plasma concentrations, systemic etripamil levels declined rapidly within the first 15 minutes following dosing and decreased more gradually thereafter. PR interval prolongation greater than 10% from baseline was generally sustained for about 45 minutes at doses of 60 mg or greater. The mean terminal half‐life ranged from about 1.5 hours with 60 mg to about 2.5‐3 hours for the 70‐ and 105‐mg doses. Etripamil was generally well tolerated without symptomatic hypotension. Adverse events were primarily mild to moderate and related to the administration site; no serious adverse events or episodes of atrioventricular block occurred. Intranasal etripamil administration, at doses of 60 mg or greater, produced rapidly occurring slowing of atrioventricular nodal conduction with a limited duration of effect without hemodynamic or electrocardiographic safety signals in healthy volunteers.
Improved Conductivity and in Situ Formed Heterojunction via Zinc Doping in CuBi2O4 for Photoelectrochemical Water Splitting
Authors: Hu Yingfei , Hu Qingyuan , Chen Xianliu , Zhao Mengting , Wang Yumeng , Guan Hangmin , Hu Xuemin , Wang Yuanyuan , Feng Jianyong 
Published: February 2024

AbstractAs a photocathode with a band gap of about 1.8 eV, copper bismuthate (CuBi2O4) is a promising material for photoelectrochemical (PEC) water splitting. However, weak charge transfer capability and severe carrier recombination suppress the PEC performance of CuBi2O4. In this paper, the conductivity and carriers transport of CuBi2O4 are improved via introducing Zn2+ into the synthesis precursor of CuBi2O4, driving a beneficial 110 mV positive shift of onset potential in photocurrent. Detailed investigations demonstrate that the introduction of an appropriate amount of zinc leads to in situ segregation of ZnO which serves as an electron transport channel on the surface of CuBi2O4, forming heterojunctions. The synergistic effect of heterojunctions and doping simultaneously promotes the charge transfer and the carrier concentration. OCP experiment proves that ZnO/Zn−CuBi2O4 possesses better charge separation; the Mott–Schottky curve shows that the doping of Zn significantly enhances the carrier concentration; carrier lifetime calculated from time–resolved photoluminescence confirms faster extraction of carriers.
Vibrational Circular Dichroism Spectroscopy with a Classical Polarizable Force Field: Alanine in the Gas and Condensed Phases
Authors: Bowles Jessica , Jähnigen Sascha , Agostini Federica , Vuilleumier Rodolphe , Zehnacker Anne , Calvo Florent , Clavaguéra Carine 
Published: February 2024

AbstractPolarizable force fields are an essential component for the chemically accurate modeling of complex molecular systems with a significant degree of fluxionality, beyond harmonic or perturbative approximations. In this contribution we examine the performance of such an approach for the vibrational spectroscopy of the alanine amino acid, in the gas and condensed phases, from the Fourier transform of appropriate time correlation functions generated along molecular dynamics (MD) trajectories. While the infrared (IR) spectrum only requires the electric dipole moment, the vibrational circular dichroism (VCD) spectrum further requires knowledge of the magnetic dipole moment, for which we provide relevant expressions to be used with polarizable force fields. The AMOEBA force field was employed here to model alanine in the neutral and zwitterionic isolated forms, solvated by water or nitrogen, and as a crystal. Within this framework, comparison of the electric and magnetic dipole moments to those obtained with nuclear velocity perturbation theory based on density‐functional theory for the same MD trajectories are found to agree well with one another. The statistical convergence of the IR and VCD spectra is examined and found to be more demanding in the latter case. Comparisons with experimental frequencies are also provided for the condensed phases.
Copper Current Collector: The Cornerstones of Practical Lithium Metal and Anode–Free Batteries
Authors: Zhou Jinyang , Qin Jian , Zhan Hui 
Published: February 2024

AbstractComparing with the commercial Li–ion batteries, Li metal secondary batteries (LMB) exhibit unparalleled energy density. However, many issues have hindered the practical application. As an element in lithium metal and anode–free batteries, the role of current collector is critical. Comparing with the cathode current collector, more requirements have been imposed on anode current collector as the anode side is usually the starting point of thermal runaway and many other risks, additionally, the anode in Li metal battery very likely determines the cycling life of full cell. In the review, we first give a systematic introduction of copper current collector and the related issues and challenges, and then we summarize the main approaches that have been mentioned in the research, including Cu current collector with 3D architecture, lithophilic modification of the current collector, artificial SEI layer construction on Cu current collector and carbon or polymer decoration of Cu current collector. Finally, we give a prospective comment of the future development in this field.
Hydrodifluoromethylation of unactivated alkenes enabled by Visible‐Light Photocatalysis
Authors: Jha Avishek Kumar , Kumar Vivek , Perumandla Sanjay Kumar , Yatham Veera Reddy 
Published: February 2024

AbstractIn the present manuscript, we have reported a general catalytic strategy that allows the synthesis of a variety of difluoro methylated alkanes from the corresponding unactivated alkenes using commercially available radical difluoromethylating reagent (CF2HSO2Na) under visible light photocatalysis. Further, this strategy allows the late‐stage modification of various alkenes derived from pharmaceutically relevant drugs.
In‐situ one‐step construction of poly(heptazine imide)/poly(triazine imide) heterojunctions for photocatalytic hydrogen evolution
Authors: Li Hui , Zhang Guoqiang , Zhang Peixin , Mi Hongwei 
Published: February 2024

AbstractThe construction of heterojunctions is challenging, requiring atomic‐level contact and interface matching. Here, we have achieved atomic‐level interfacial matching by constructing poly(heptazine imide)/poly(triazine imide) crystalline carbon nitride heterojunctions in an in‐situ one‐step method. The content of poly(triazine imide) in heterojunctions is positively related to the proportion of lithium chloride in potassium chloride and lithium chloride mixed‐salts. The optimized heterojunction achieves an apparent quantum efficiency of 48.34 % for photocatalytic hydrogen production at 420 nm, which is at a good level in polymeric carbon nitride photocatalysts. The proposed ion‐thermal assisted heterojunction construction strategy contributes to the development of polymeric carbon nitride photocatalysts with high crystallization and high charge separation efficiency.