bluuebunny/crossref_metadata_2025_split huggingface dataset:
Biodegradable Ferroelectric Molecular Plastic Crystal HOCH2(CF2)7CH2OH Structurally Inspired by Polyvinylidene Fluoride
Authors: Ai Yong , Gu Zhu‐Xiao , Wang Peng , Tang Yuan‐Yuan , Chen Xiao‐Gang , Lv Hui‐Peng , Li Peng‐Fei , Jiang Qing , Xiong Ren‐Gen , Zhang Jun‐Jie , Zhang Han‐Yue 
Published: July 2024

AbstractFerroelectric materials, traditionally comprising inorganic ceramics and polymers, are commonly used in medical implantable devices. However, their nondegradable nature often necessitates secondary surgeries for removal. In contrast, ferroelectric molecular crystals have the advantages of easy solution processing, lightweight, and good biocompatibility, which are promising candidates for transient (short‐term) implantable devices. Despite these benefits, the discovered biodegradable ferroelectric materials remain limited due to the absence of efficient design strategies. Here, inspired by the polar structure of polyvinylidene fluoride (PVDF), a ferroelectric molecular crystal 1H,1H,9H,9H‐perfluoro‐1,9‐nonanediol (PFND), which undergoes a cubic‐to‐monoclinic ferroelectric plastic phase transition at 339 K, is discovered. This transition is facilitated by a 2D hydrogen bond network formed through O−H···O interactions among the oriented PFND molecules, which is crucial for the manifestation of ferroelectric properties. In this sense, by reducing the number of −CF2− groups from ≈5 000 in PVDF to seven in PFND, it is demonstrated that this ferroelectric compound only needs simple solution processing while maintaining excellent biosafety, biocompatibility, and biodegradability. This work illuminates the path toward the development of new biodegradable ferroelectric molecular crystals, offering promising avenues for biomedical applications.
Photoinduced Transition‐Metal‐Free Chemodivergent Phosphorylation‐Peroxidation and Oxyphosphorylation of Alkenes
Authors: Pan Jun , Feng Yuting , Lv Leiyang , Li Zhiping 
Published: July 2024

AbstractA visible‐light‐promoted chemodivergent phosphorylation‐peroxidation and oxyphosphorylation of alkenes with phosphine oxides and HOOtBu was realized under transition‐metal‐free conditions. Using the commercially available Eosin Y as a SET‐photocatalyst, the β‐peroxy‐phosphine oxides were selectively obtained with a catalytic amount of base, while the addition of acid led to the exclusive formation of β‐keto‐phosphine oxides control experiments showed that Eosin Y could also act as a HAT‐catalyst to induce the O−O bond cleavage of peroxides under acidic conditions.
First‐Principles Calculation of Elastic Properties in LixZn1−xO:Nd3+ Mechanoluminescence Material
Authors: Kawana Soichiro , Hirata Kenji , Fujio Yuki , Uchiyama Tomoki , Xu Chao‐Nan 
Published: July 2024

AbstractIn this study, the elastic properties of the newly discovered mechanoluminescence (ML) material LixZn1−xO:Nd3+ are investigated by first‐principles calculations. The elastic properties such as Young's modulus, bulk modulus, and shear modulus are calculated from the elastic tensor. As a result of investigating the phase stability of LixZn1−xO:Nd3+, it indicates that the wurtzite ZnO phase is stable in the Li additive range of 0 ≤ x ≤ 0.44, and an excess addition caused a structural transition to the h‐BN structure. Besides, elastic properties, such as Young's modulus, bulk modulus, and shear modulus of LixZn1−xO:Nd3+ are decreased with increasing Li concentration in the examined range of 0 ≤ x ≤ 0.44. Furthermore, it reveals from bonding analysis between cation and anion that the bonding strength of Li─O bonding for the covalent bonding is weaker than that of Zn─O bonding. The elastic softening derives from atomic interaction in the covalent bonding. Therefore, it concludes that elastic softening is promoted by the increase in Li─O bonding with weak covalent bonding as the Li concentration increases.
Investigating the Performance of FASnI3‐Based Perovskite Solar Cells with Various Electron and Hole Transport Layers: Machine Learning Approach and SCAPS‐1D Analysis
Authors: Khan Tanvir Mahtab , Ahmed Sheikh Rashel Al 
Published: July 2024

AbstractIn this study, tungsten disulfide (WS2) as an electron transport layer (ETL) and zinc phosphide (Zn3P2) as a hole transport layer (HTL) are incorporated to improve the performance of the FASnI3‐based perovskite solar cell (PSC). The solar cell capacitance simulator in one dimension (SCAPS‐1D) is used to investigate the photovoltaic (PV) performances of the heterojunction Al/FTO/WS2/FASnI3/Zn3P2/Ni solar structure. The performance metrics of proposed device with numerous ETLs and HTLs are discussed. The suggested device provides appropriate band structures, which in turn potentially reduce minority electron recombination, thereby enhancing overall performances. Influences of various physical parameters such as thickness, doping concentration, bulk defect, interface defect states, work function, and back surface recombination velocity (BSRV) on the device performances have also been analyzed. An efficiency of 29.81% is achieved at the optimum thicknesses of 0.05 µm for WS2 ETL, 1.0 µm for FASnI3 absorber, and 0.1 µm for Zn3P2 HTL. Furthermore, a machine learning algorithm is used to assess the impact of multiple semiconductor parameters, and found that defect density influences the most. This model, which has an approximate correlation coefficient (R2) of 0.937, can predict the data with precision. Therefore, these numerical outcomes will help researchers further design and manufacture a low‐cost and highly efficient FASnI3‐based PSC.
Development and Application of Reversible and Irreversible Covalent Probes for Human and Mouse Cathepsin‐K Activity Detection, Revealing Nuclear Activity
Authors: Dey Gourab , Sinai‐Turyansky Reut , Yakobovich Evalyn , Merquiol Emmanuelle , Loboda Jure , Sridharan Nikhila , Houri‐Haddad Yael , Polak David , Yona Simon , Turk Dusan , Wald Ori , Blum Galia 
Published: July 2024

AbstractCathepsin‐K (CTSK) is an osteoclast‐secreted cysteine protease that efficiently cleaves extracellular matrices and promotes bone homeostasis and remodeling, making it an excellent therapeutic target. Detection of CTSK activity in complex biological samples using tailored tools such as activity‐based probes (ABPs) will aid tremendously in drug development. Here, potent and selective CTSK probes are designed and created, comparing irreversible and reversible covalent ABPs with improved recognition components and electrophiles. The newly developed CTSK ABPs precisely detect active CTSK in mouse and human cells and tissues, from diseased and healthy states such as inflamed tooth implants, osteoclasts, and lung samples, indicating changes in CTSK's activity in the pathological samples. These probes are used to study how acidic pH stimulates mature CTSK activation, specifically, its transition from pro‐form to mature form. Furthermore, this study reveals for the first time, why intact cells and cell lysate exhibit diverse CTSK activity while having equal levels of mature CTSK enzyme. Interestingly, these tools enabled the discovery of active CTSK in human osteoclast nuclei and in the nucleoli. Altogether, these novel probes are excellent research tools and can be applied in vivo to examine CTSK activity and inhibition in diverse diseases without immunogenicity hazards.
Short‐Term Statin Therapy Induces Hepatic Insulin Resistance Through HNF4α/PAQR9/PPM1α Axis Regulated AKT Phosphorylation
Authors: Lin Yijun , Wang Shuying , Li Zixuan , Zhou Yuling , Wang Ruiying , Wang Yan , Chen Yan 
Published: July 2024

AbstractStatins, the first‐line medication for dyslipidemia, are linked to an increased risk of type 2 diabetes. But exactly how statins cause diabetes is yet unknown. In this study, a developed short‐term statin therapy on hyperlipidemia mice show that hepatic insulin resistance is a cause of statin‐induced diabetes. Statin medication raises the expression of progesterone and adiponectin receptor 9 (PAQR9) in liver, which inhibits insulin signaling through degradation of protein phosphatase, Mg2+/Mn2+ dependent 1 (PPM1α) to activate ERK pathway. STIP1 homology and U‐box containing protein 1 (STUB1) is found to mediate ubiquitination of PPM1α promoted by PAQR9. On the other hand, decreased activity of hepatocyte nuclear factor 4 alpha (HNF4α) seems to be the cause of PAQR9 expression under statin therapy. The interventions on PAQR9, including deletion of PAQR9, caloric restriction and HNF4α activation, are all effective treatments for statin‐induced diabetes, while liver specific over‐expression of PPM1α is another possible tactic. The results reveal the importance of HNF4α‐PAQR9‐STUB1‐PPM1α axis in controlling the statin‐induced hepatic insulin resistance, offering a fresh insight into the molecular mechanisms underlying statin therapy.
Enantioselective Aminosilylation of Alkenes by Palladium/Ming‐Phos‐Catalyzed Tandem Narasaka–Heck/Silylation Reaction
Authors: Cao Kangning , Han Jie , Ye Wenshao , Hu Dejun , Ye Zihao , Yang Junfeng , Zhang Junliang , Chen Fener 
Published: July 2024

AbstractA Pd‐catalyzed enantioselective aminosilylation of alkenes via tandem Aza‐Heck/silylation reaction under Pd/Sadphos catalysis is disclosed. A wide array of oxime esters and silicon reagents are tolerated, furnishing the chiral pyrrolines bearing one quaternary or two contiguous stereocenters in good yield with high enantioselectivity. Not only terminal alkenes but also tri‐substituented internal alkenes successfully participate in the reaction, delivering vicinal stereocenters in complete diastereoselectivity and high enantioselectivity. DFT study is conducted to probe the reaction pathway and the origin of the enantioselectivity, which revealed that the stereoinduction arises from the weak interaction between the aromatic ring of the substrate fragment and naphthyl group in the ligand.
Splitting behavior and breakup mechanism of bubbles in the split‐and‐recombine microchannel
Authors: Chen Weiyang , Tian Xinyu , Zhang Hengkuan , Yin Yaran , Zhang Xianming , Zhu Chunying , Fu Taotao , Ma Youguang 
Published: July 2024

AbstractSplit‐and‐recombine (SAR) microreactor is an advanced reactor for chemical process intensification. Bubble flow in the SAR microchannel is an important phenomenon that affects reaction efficiency, however drew little attention before. This study aims to explore the underlying mechanisms of bubble splitting, retraction, and breakup behaviors in a compact SAR microchannel. Two breakup flow patterns, unilateral flow and unilateral alternate flow were identified with symmetric or asymmetric splitting, respectively. Mechanism analysis indicates that the splitting symmetry issue is related to liquid slug size, viscous effect and novel retraction behavior of a splitting filament. The retraction is induced by the interconnection and unequal pressures between the splitting filaments. The correlation between normalized breakup time and Ca number confirms the Capillary‐pressure breakup mechanism for the splitting gas filaments. Two empirical correlations for the two breakup flow patterns were proposed, which illustrate the significant contribution of bubble retraction to the breakup degree.
Traumatic brain injury and cognitive change over 30 years among community‐dwelling older adults
Authors: Schneider Andrea L. C. , Pike James R. , Elser Holly , Coresh Josef , Mosley Thomas H. , Diaz‐Arrastia Ramon , Gottesman Rebecca F. 
Published: July 2024

AbstractINTRODUCTIONThere is limited evidence regarding the rate of long‐term cognitive decline after traumatic brain injury (TBI) among older adults.METHODSIn this prospective cohort study, time‐varying TBI was defined by self‐report and International Classification of Disease diagnostic codes. Cognitive testing was performed at five visits over 30 years and scores were combined into a global cognition factor score. Adjusted linear mixed‐effects models estimated the association of TBI with cognitive change.RESULTSA total of 11,701 Atherosclerosis Risk in Communities (ARIC) Study participants (mean baseline age 58 years, 58% female, 25% Black) without TBI at baseline were included. Over follow‐up, 18% experienced TBI. The adjusted average decline in cognition per decade (standard deviation units) was more than twice as fast among individuals with ≥ 2 incident TBIs (𝛽 = –0.158, 95% confidence interval [CI] = –0.253,–0.063), but not among individuals with 1 TBI (𝛽 = –0.052, 95% CI = –0.107, 0.002), compared to without TBI (𝛽 = –0.057, 95% CI = –0.095, –0.020).DISCUSSIONThis study provides robust evidence that TBIs fundamentally alter the trajectories of cognitive decline.Highlights
The adjusted average decline in cognition per decade (standard deviation units) was more than twice as fast among individuals with ≥ 2 incident traumatic brain injuries (TBIs; 𝛽 = –0.158, 95% confidence interval [CI] = –0.253, –0.063), but not with 1 TBI (𝛽 = –0.052, 95% CI = –0.107, 0.002), compared to without TBI (𝛽 = –0.057, 95% CI = –0.095, –0.020).
Over a period of 30 years, this difference in cognitive decline is equivalent to individuals with ≥ 2 TBIs being 9.7 years older at baseline.
Associations of TBI were stronger among individuals with one or two apolipoprotein E (APOE) ε4 alleles than among individuals with zero APOE ε4 alleles (P interaction = 0.007).
Cucurbitacins mitigate vascular neointimal hyperplasia by suppressing cyclin A2 expression and inhibiting VSMC proliferation
Authors: Yuan Ruqiang , Qian Lei , Xu Hu , Yun Weijing 
Published: July 2024

AbstractBackgroundRestenosis frequently occurs after percutaneous angioplasty in patients with vascular occlusion and seriously threatens their health. Substantial evidence has revealed that preventing vascular smooth muscle cell proliferation using a drug‐eluting stent is an effective approach to improve restenosis. Cucurbitacins have been demonstrated to exert an anti‐proliferation effect in various tumors and a hypotensive effect. This study aims to investigate the role of cucurbitacins extracted from Cucumis melo L. (CuECs) and cucurbitacin B (CuB) on restenosis.MethodsC57BL/6 mice were subjected to left carotid artery ligation and subcutaneously injected with CuECs or CuB for 4 weeks. Hematoxylin–Eosin, immunofluorescence and immunohistochemistry staining were used to evaluate the effect of CuECs and CuB on neointimal hyperplasia. Western blot, real‐time PCR, flow cytometry analysis, EdU staining and cellular immunofluorescence assay were employed to measure the effects of CuECs and CuB on cell proliferation and the cell cycle in vitro. The potential interactions of CuECs with cyclin A2 were performed by molecular docking.ResultsThe results demonstrated that both CuECs and CuB exhibited significant inhibitory effects on neointimal hyperplasia and proliferation of vascular smooth muscle cells. Furthermore, CuECs and CuB mediated cell cycle arrest at the S phase. Autodocking analysis demonstrated that CuB, CuD, CuE and CuI had high binding energy for cyclin A2. Our study also showed that CuECs and CuB dramatically inhibited FBS‐induced cyclin A2 expression. Moreover, the expression of cyclin A2 in CuEC‐ and CuB‐treated neointima was downregulated.ConclusionsCuECs, especially CuB, exert an anti‐proliferation effect in VSMCs and may be potential drugs to prevent restenosis.
Mechanochemical Synthesis of Boroxine‐linked Covalent Organic Frameworks
Authors: Hamzehpoor Ehsan , Effaty Farshid , Borchers Tristan H. , Stein Robin S. , Wahrhaftig‐Lewis Alexander , Ottenwaelder Xavier , Friščić Tomislav , Perepichka Dmytro F. 
Published: July 2024

AbstractWe report a rapid, room‐temperature mechanochemical synthesis of 2‐ and 3‐dimensional boroxine covalent organic frameworks (COFs), enabled by using trimethylboroxine as a dehydrating additive to overcome the hydrolytic sensitivity of boroxine‐based COFs. The resulting COFs display high porosity and crystallinity, with COF‐102 being the first example of a mechanochemically prepared 3D COF, exhibiting a surface area of ca. 2,500 m2 g−1. Mechanochemistry enabled a>20‐fold reduction in solvent use and ~100‐fold reduction in reaction time compared with solvothermal methods, providing target COFs quantitatively with no additional work‐up besides vacuum drying. Real‐time Raman spectroscopy permitted the first quantitative kinetic analysis of COF mechanosynthesis, while transferring the reaction design to Resonant Acoustic Mixing (RAM) enabled synthesis of multi‐gram amounts of the target COFs (tested up to 10 g).
Photocatalytic Formamide Synthesis via Coupling of Electrophilic and Nucleophilic Radicals over Atomically Dispersed Bi Sites
Authors: Yang Weiping , Xiao Lei , Wu Haoran , Li Xin , Ren Qin , Li Jieyuan , Zhou Ying , Dong Fan 
Published: July 2024

AbstractFormamide (HCONH2) plays a pivotal role in the manufacture of a diverse array of chemicals, fertilizers, and pharmaceuticals. Photocatalysis holds great promise for green fabrication of carbon‐nitrogen (C−N) compounds owing to its environmental friendliness and mild redox capability. However, the selective formation of the C−N bond presents a significant challenge in the photocatalytic synthesis of C−N compounds. This work developed a photocatalytic radical coupling method for the formamide synthesis from co‐oxidation of ammonia (NH3) and methanol (CH3OH). An exceptional formamide yield rate of 5.47±0.03 mmol ⋅ gcat−1 ⋅ h−1 (911.87±5 mmol ⋅ gBi−1 ⋅ h−1) was achieved over atomically dispersed Bi sites (BiSAs) on TiO2. An accumulation of 45.68 mmol ⋅ gcat−1 (2.0 g ⋅ gcat−1) of formamide was achieved after long‐term illumination, representing the highest level of photocatalytic C−N compounds synthesis. The critical C−N coupling for formamide formation originated from the “σ–σ” interaction between electrophilic ⋅CH2OH with nucleophilic ⋅NH2 radical. The BiSAs sites facilitated the electron transfer between reactants and photocatalysts and enhanced the nucleophilic attack of ⋅NH2 radical on the ⋅CH2OH radical, thereby advancing the selective C−N bond formation. This work deepens the understanding of the C−N coupling mechanism and offers an intriguing photocatalytic approach for the efficient and sustainable production of C−N compounds.
Steric Hindrance Engineering to Modulate the Closed Pores Formation of Polymer‐Derived Hard Carbon for High‐Performance Sodium‐Ion Batteries
Authors: Lin Jianhao , Zhou Qingfeng , Liao Zhishan , Chen Yunhua , Liu Yike , Liu Qiang , Xiong Xunhui 
Published: July 2024

AbstractThe closed pores play a critical role in improving the sodium storage capacity of hard carbon (HC) anode, however, their formation mechanism as well as the efficient modulation strategy at molecular level in the polymer‐derived HCs is still lacking. In this work, the steric hindrance effect has been proposed to create closed pores in the polymer‐derived HCs for the first time through grafting the aromatic rings within and between the main chains in the precursor. The experimental data and theoretical calculation demonstrate that steric‐hindrance effect from the aromatic ring side group can increase backbone rigidity and the internal free volumes in the polymer precursor, which can prevent the over graphitization and facilitate the formation of closed pores during the carbonization process. As a result, the as‐prepared HC anode exhibits a remarkably enhanced discharge capacity of 340.3 mAh/g at 0.1 C, improved rate performance (210.7 mAh/g at 5 C) as well as boosted cycling stability (86.4 % over 1000 cycles at 2 C). This work provides a new insight into the formation mechanisms of closed pores via steric hindrance engineering, which can shed light on the development of high‐performance polymer‐derived HC anode for sodium‐ion batteries.
Effect of cyclization degree of nitrogen thermal pretreatment on radial structure of PAN stabilized fibers
Authors: Wang Guanbo , Lu Chunxiang , Sun Tongqing , Shao Wei 
Published: July 2024

AbstractThe effect of cyclization degree of nitrogen thermal pretreatment on the radial structure difference of polyacrylonitrile(PAN) oxide fibers is explored. In this paper, PAN fibers were isothermally heated in nitrogen at 170°C, 190°C and 210°C for 0, 10, 20, 30, 40, and 50 min, respectively, so as to obtain pre‐treated fibers with cyclization degrees of 0%, 19.96%, 35.18%, 38.92%, 42.80%, and 53.12%, respectively. The pre‐treated fibers were further stabilized in an oxygen atmosphere. The scanning results show that the radial structure difference of oxide fibers first decreases and then increases with cyclization degree increasing. Through FTIR, SEM and Raman characterization, it is found that this phenomenon is mainly related to the influence of nitrogen thermal pretreatment on oxygen diffusion. Therefore, to improve the thermal stability efficiency of PAN fibers by means of nitrogen thermal pre‐treatment, it is necessary to control the degree of cyclisation, and the appropriate degree of cyclisation in the present work is about 35%.
Preparation and properties of a powdery resin for rapid adsorption of spill oils: 1‐octene‐isoprene‐trimethylolpropane triacrylate crosslinking copolymer
Authors: Zhou Feng , Dai Yu , Qin Wei , Li Zhenyong , Song Yu , Bian Fuli , Song Quanwei , Ren Xianyan 
Published: July 2024

AbstractExisting adsorption materials with drawbacks in the weak organic solvents/oil retention ability, slow adsorption speed and low adsorption capacity for alkanes still hardly meet demands of the application field, especially in emergencies. The copolymerization of the long‐chain alkenes, 1‐octene, with isoprene was designed in this paper to synthesize an adsorption resin (PIOT), instead of acrylate monomers reported in the literature. And trimethylolpropane triacrylate was designed as a crosslinking agent. Results show that the PIOT grows in the form of powders, which are the loose accumulation of nanoflakes with a diameter of about 47.89 ± 11.06 nm. In view of the chain structure and morphology of the PIOT, it can quickly reach the maximum adsorption within 10 s along with a high adsorption capacity for various solvents and kerosene. Even for hexane, the adsorption capacity of the PIOT increases by 345.2% compared with the reported adsorption resin. The oil retention rate of PIOT can be maintained at 86 ± 6% after centrifugation at 1000–3000 rpm for 5–25 min. Compared with commercial activated carbon, the PIOT has outstanding advantages in recycling property and oil retention rate and compared with the reported acrylate adsorption resin, the PIOT has made a great breakthrough in adsorption capacity for alkanes.
Fatigue assessment of cord rubber composite air spring bellows based on specimen testing and numerical analysis
Authors: Torggler Julian , Faethe Tobias , Müller Heiko , Dutzler Andreas , Machado Charry Eduardo , Buzzi Christian , Leitner Martin 
Published: July 2024

AbstractRail vehicle air spring bellows consisting of cord rubber composites are subject to a wide variety of stresses. It is therefore crucial to understand the fatigue behavior of such components, as the development process involves the use of empirical methods, which are both time‐consuming and costly. This paper outlines a methodology for assessing the fatigue strength of air spring bellows through representative specimen testing. Ten component tests and a validated numerical model of the air spring bellows are presented. The primary loading scenario investigated in this study is pure pulsating tensile stress with a strain ratio R in the range of 0–0.25. This scenario is considered to be highly damaging, leading to delamination. Comprehensive damage analysis of the specimen is performed using microcomputed tomography. To ensure the transferability of the results, a failure criterion is defined as 20% elongation of the specimen, based on the defined 10% internal pressure drop for the bellow. After statistical evaluation, the transferability of the specimen tests to the component is validated using a local fatigue approach. The correlation coefficient R2 is 0.84, indicating a sound agreement between model and tests with 7 points out of 10 within a scatter factor of 2.