bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of Chiral Sulfoxides by A Cyclic Oxidation‐Reduction Multi‐Enzymatic Cascade Biocatalysis
Authors: Tian Jin , Zhou Shihuan , Chen Yanli , Zhao Yuyan , Li Song , Yang Piao , Xu Xianlin , Chen Yongzheng , Cheng Xiaoling , Yang Jiawei 
Published: January 2024

AbstractOptically pure sulfoxides are valuable organosulfur compounds extensively employed in medicinal and organic synthesis. In this study, we present a biocatalytic oxidation‐reduction cascade system designed for the preparation of enantiopure sulfoxides. The system involves the cooperation of a low‐enantioselective chimeric oxidase SMO (styrene monooxygenase) with a high‐enantioselective reductase MsrA (methionine sulfoxide reductase A), facilitating “non‐selective oxidation and selective reduction” cycles for prochiral sulfide oxidation. The regeneration of requisite cofactors for MsrA and SMO was achieved via a cascade catalysis process involving three auxiliary enzymes, sustained by cost‐effective D‐glucose. Under the optimal reaction conditions, a series of heteroaryl alkyl, aryl alkyl and dialkyl sulfoxides in R configuration were synthesized through this “one‐pot, one step” cascade reaction. The obtained compounds exhibited high yields of >90 % and demonstrated enantiomeric excess (ee) values exceeding 90 %. This study represents an unconventional and efficient biocatalytic way in utilizing the low‐enantioselective oxidase for the synthesis of enantiopure sulfoxides.
On the importance of fundamental computational fluid dynamics toward a robust and reliable model of left atrial flows
Authors: Khalili Ehsan , Daversin‐Catty Cécile , Olivares Andy L. , Mill Jordi , Camara Oscar , Valen‐Sendstad Kristian 
Published: January 2024

AbstractComputational fluid dynamics (CFD) studies of left atrial flows have reached a sophisticated level, for example, revealing plausible relationships between hemodynamics and stresses with atrial fibrillation. However, little focus has been on fundamental fluid modeling of LA flows. The purpose of this study was to investigate the spatiotemporal convergence, along with the differences between high‐ (HR) versus normal‐resolution/accuracy (NR) solution strategies, respectively. Rigid wall CFD simulations were conducted on 12 patient‐specific left atrial geometries obtained from computed tomography scans, utilizing a second‐order accurate and space/time‐centered solver. The convergence studies showed an average variability of around 30% and 55% for time averaged wall shear stress (WSS), oscillatory shear index (OSI), relative residence time (RRT), and endothelial cell activation potential (ECAP), even between intermediate spatial and temporal resolutions, in the left atrium (LA) and left atrial appendage (LAA), respectively. The comparison between HR and NR simulations showed good correlation in the LA for WSS, RRT, and ECAP (), but not for OSI (). However, there were poor correlations in the LAA especially for OSI, RRT, and ECAP ( .55, .63, and .61, respectively), except for WSS (). The errors are comparable to differences previously reported with disease correlations. To robustly predict atrial hemodynamics and stresses, numerical resolutions of 10 M elements (i.e., .5 mm) and 10 k time‐steps per cycle seem necessary (i.e., one order of magnitude higher than normally used in both space and time). In conclusion, attention to fundamental numerical aspects is essential toward establishing a plausible, robust, and reliable model of LA flows.
Carbons Derived from Regenerated Spherical Cellulose as Anodes for Li‐Ion Batteries at Elevated Temperatures
Authors: Fischer Johanna , Wolfram Lisa , Oswald Steffen , Fischer Steffen , Mikhailova Daria 
Published: January 2024

AbstractBiomass‐based materials have emerged as a promising alternative to the conventional graphite anode in Li‐ion batteries due to their renewability, low cost, and environmental friendliness. Therefore, a facile synthesis method for porous hard carbons based on cellulose acetate microspheres and bead cellulose is used, and their application as anode materials in Li‐ion batteries is discussed. The resulting porous carbons exhibit promising electrochemical characteristics, including a reversible capacity of about 300 mAh g−1 at 0.1 C (37 mA g−1) after 50 cycles, and stable capacities up to 210 mAh g−1 over 1000 cycles at 1 C (372 mA g−1) in half‐cells for cellulose acetate microspheres carbonised at 1200 °C. Moreover, at 60 °C cellulose‐derived carbons show higher specific capacities than graphite (300 mAh g−1 vs 240 mAh g−1 at 1 C after 500 cycles), indicating their potential for use in high‐temperature applications. The different charge storage mechanisms of the prepared hard carbon materials and graphite are observed. While capacity of graphite is mainly controlled by the Faradaic redox process, the cellulose‐derived carbons combine Faradaic intercalation and capacitive charge adsorption.
Application of an automated grid deformation tool for divertor shape optimization in SOLPS‐ITER
Authors: Van den Kerkhof Sander , Vervloesem Nathan , Carli Stefano , Dekeyser Wouter 
Published: January 2024

AbstractAn optimized divertor design is crucial to maximize the lifetime of plasma‐facing components and reduce costs of future fusion power plants. Numerical shape optimization could be a powerful tool to obtain improved designs in an automated way. However, it is not trivial to apply due to the need of a field‐aligned and boundary‐fitted grid for simulating the plasma and quantifying the heat load. This paper shows how a grid deformation tool can automate the gridding process while safeguarding the grid quality. Additionally, sensitivities of shape parameters are computed using finite differences and compared to those obtained by remeshing using standard tools such as CARRE2. The plasma and neutral behavior is simulated using the unstructured SOLPS‐ITER code with the latest advanced fluid neutrals model for an ASDEX Upgrade test case. The comparison shows that, contrary to the remeshing strategy, the grid deformation approach yields smoother sensitivities. Furthermore, it is shown that the deformed grids have better mesh quality in terms of poloidal cell size ratio compared to the grid generated with CARRE2, which improves the accuracy of the simulation. This supports the use of the grid deformation tool for automated shape design in future work.
CircRbms1 fosters MST1 mRNA and protein levels to motivate myocardial ischaemia–reperfusion injury via autophagic status
Authors: Liu Qin , Lai Guorong , Hu Yanhui , Yang Fan , Zhang Chao , Le Dongsheng , Deng Fumou , Xing Xianliang , Tang Binquan , Jie Huanhuan , Liang Yingping , Lei Enjun 
Published: January 2024

AbstractAimsAcute myocardial infarction (MI) is a significant contributor to death in individuals diagnosed with coronary heart disease on a worldwide level. The specific mechanism by which circRbms1 contributes to the damage caused by myocardial ischaemia–reperfusion (I/R) is not well understood. The primary aim of this study was to examine the role of circRbms1 and its associated mechanisms in the setting of I/R injury.Methods and resultsAn in vivo MI mice model and an in vitro MI cell model was established. The expression levels were detected using quantitative real‐time PCR (qRT‐PCR) and western blot. Cellular proliferation, apoptosis, pyroptosis, and autophagy were detected by immunostaining, immunohistochemistry, western blot, and transmission electron microscopy (TEM). Dual‐luciferase reporter assay, RNA pull‐down assay, and RIP assay were performed to validate the molecular interactions. CircRbms1 was up‐regulated in A/R‐induced HCMs and acted as a sponge for miR‐142‐3p, thereby targeting MST1. CircRbms1 could improve stability of MST1 by recruiting IGF2BP2 (all P < 0.05). CircRbms1 knockout reduced cell pyroptosis, improved autophagy and proliferation level in A/R‐induced HCMs (all P < 0.05). CircRbms1 knockout alleviated cardiac dysfunction and cell pyroptosis and enhanced autophagy and proliferation in mice through the miR‐142‐3p/MST1 axis.ConclusionsCircRbms1 inhibited the miR‐142‐3p/MST1 axis and played a protective role in myocardial I/R injury. It may provide a new therapeutic target for I/R heart injury.
The effect of a standardized verbal encouragement protocol on peak oxygen uptake during incremental treadmill testing in healthy individuals: A randomized cross‐over trial
Authors: Van Hooren Bas , Van Der Lee Pleun , Plasqui Guy , Bongers Bart C. 
Published: January 2024

AbstractPeak oxygen uptake (V̇O2peak) is considered a vital indicator of health and physical fitness that is often measured during incremental exercise testing. While previous research has shown that the attained V̇O2peakduring exercise testing can be influenced by verbal encouragement, no or limited details were provided on the verbal encouragement protocol, hereby hampering implementation in clinical practice or research. Moreover, it remains unknown whether motivation modulates the effect of verbal encouragement. This study aimed to develop and examine the influence of a standardized verbal encouragement protocol on the achieved V̇O2peak, time to exhaustion (TTE), peak heart rate (HRpeak), and peak respiratory exchange ratio (RERpeak) during incremental treadmill testing. As a secondary aim, we investigated whether motivation modulated the effect of verbal encouragement on V̇O2peak. 24 healthy volunteers performed two incremental treadmill runs with 1 week in between and received verbal encouragement during only one of the tests. Motivation toward exercise was measured using the behavioral regulation in exercise questionnaire‐2 (BREQ‐2) questionnaire. V̇O2peak(Δ 2.10 mL/kg/min,p < 0.001) and RERpeak(Δ 2%,p = 0.042) were significantly higher with verbal encouragement. In contrast, HRpeak(Δ 1.5 beats/min,p = 0.225) and TTE (Δ 1.5%,p = 0.348) were not significantly different between conditions. Exercise motivation showed a weak and nonsignificant association with the change in V̇O2peakbetween tests (r−0.19,R20.037, SEE 2.88, andp = 0.367). These findings show that verbal encouragement leads to higher physiological outcomes during incremental treadmill testing, but the magnitude of this effect is not higher for individuals with lower levels of pretest motivation.
Chiral voltammetric sensor on the basis of nanosized MFI zeolite for recognition and determination of tryptophan enantiomers
Authors: Zilberg Rufina , Teres Yulia , Agliulin Marat , Vakulin Ivan , Bulysheva Elena , Sycheva Maria , Maistrenko Valery 
Published: January 2024

AbstractA voltammetric sensor comprising a paste electrode made of graphitized thermal carbon black CarboblackC and nanosized zeolite MFI was developed for selective recognition and determination of tryptophan enantiomers. It was found that in determining tryptophan enantiomers, the dependence remains linear at concentrations from 5×10−5 to 1×10−3 M. The detection limits of tryptophan L‐ and D‐enantiomers were calculated to be 4.98×10−7 M and 3.20×10−7 M, while their lower limits of determinable concentrations–1.66×10−6 M and 1.07×10−6 M, respectively. The sensor is more sensitive to D‐tryptophan (ΔEp=20 mV, ipD/ipL=1.58). The developed sensor was shown to successfully determine tryptophan enantiomers in model solutions of pure enantiomers, in a mixture of enantiomers, in biological fluids, and in tablet forms of biologically active additives. It was shown that the suggested sensor made it possible to determine the ratio of L‐ and D‐enantiomers of tryptophan in a mixture with a high probability.
Shaking table tests and numerical analysis of RC coupled shear wall structure with hybrid replaceable coupling beams
Authors: Gong Nan , Freddi Fabio , Li Peizhen 
Published: January 2024

AbstractA variety of innovative structural solutions have been recently introduced to mitigate damage and expedite the repair of buildings subjected to extreme seismic events, hence contributing to the urgent need for resilient societies. In this context, the present study experimentally and numerically investigates an innovative reinforced concrete (RC) shear wall (SW) structure with replaceable coupling beams (CBs) equipped with hybrid devices. These hybrid devices couple metallic and viscoelastic dampers and aim at satisfying multiple lateral load performances effectively. To assess the seismic performance of the proposed coupled SW system and verify the design principle, comparative shaking table tests were performed on two 1/4‐scale seven‐story SW structure specimens, including a conventional RC coupled SW and the proposed coupled SW with hybrid devices. The tests results indicate the improved performance of the proposed compared with the conventional system in terms of: (1) reduced interstory drifts and story accelerations demand under a wide range of seismic intensities, (2) concentrated damage in the hybrid device and minimal damage to the other components contributing to the reparability of the structure. Furthermore, 3D finite element models for the shaking table test specimens were established in OpenSees and validated against experimental response. Successively, a numerical parametric study was conducted by performing non‐linear response history analyses under a set of 22 ground motions to investigate the influence of different design configurations of the hybrid device on the peak interstory drifts and peak story accelerations.
SSE_CIB: Secure storage and exchange of copyrighted images using blockchain
Authors: Kalita Kausthav Pratim , Boro Debojit , Bhattacharyya Dhruba Kumar 
Published: January 2024

AbstractThe rise of technology has resulted in the evolution of data generation at a rapid speed. With the high increase in the volume of data, it has become necessary to store it using reliable and scalable data management systems. Blockchain offers a storage structure that ensures the security and reliability of the stored data. Smart contracts further enhance the technology by enforcing more stringent record management activities. In recent times, there has been widespread utilization of IPFS in conjunction with blockchain technology. This utilization facilitates the establishment of decentralized and distributed data storage, as well as the connection of blockchain transactions to external data, thereby enhancing scalability and reducing storage expenses within blockchain applications. This paper introduces an effective collaborative ecosystem called SSE_CIB, where images undergo multiple operations including quantization before getting uploaded to IPFS. The image‐related details are stored in the blockchain to keep track of record entries. In our approach, a watermarking process has also been included to ensure the protection of copyright. Further, the images undergo block‐wise rotation based on a secret key and bit‐wise operation with a key image for enhanced security and protection. The work is implemented and tested using real‐life images in an Ethereum environment incorporated with a smart contract that enables proper execution of transactions.
How brain structure–function decoupling supports individual cognition and its molecular mechanism
Authors: Dong Xiaoxi , Li Qiongling , Wang Xuetong , He Yirong , Zeng Debin , Chu Lei , Zhao Kun , Li Shuyu 
Published: January 2024

AbstractFunctional signals emerge from the structural network, supporting multiple cognitive processes through underlying molecular mechanism. The link between human brain structure and function is region‐specific and hierarchical across the neocortex. However, the relationship between hierarchical structure–function decoupling and the manifestation of individual behavior and cognition, along with the significance of the functional systems involved, and the specific molecular mechanism underlying structure–function decoupling remain incompletely characterized. Here, we used the structural‐decoupling index (SDI) to quantify the dependency of functional signals on the structural connectome using a significantly larger cohort of healthy subjects. Canonical correlation analysis (CCA) was utilized to assess the general multivariate correlation pattern between region‐specific SDIs across the whole brain and multiple cognitive traits. Then, we predicted five composite cognitive scores resulting from multivariate analysis using SDIs in primary networks, association networks, and all networks, respectively. Finally, we explored the molecular mechanism related to SDI by investigating its genetic factors and relationship with neurotransmitter receptors/transporters. We demonstrated that structure–function decoupling is hierarchical across the neocortex, spanning from primary networks to association networks. We revealed better performance in cognition prediction is achieved by using high‐level hierarchical SDIs, with varying significance of different brain regions in predicting cognitive processes. We found that the SDIs were associated with the gene expression level of several receptor‐related terms, and we also found the spatial distributions of four receptors/transporters significantly correlated with SDIs, namely D2, NET, MOR, and mGluR5, which play an important role in the flexibility of neuronal function. Collectively, our findings corroborate the association between hierarchical macroscale structure–function decoupling and individual cognition and provide implications for comprehending the molecular mechanism of structure–function decoupling.Practitioner Points
Structure–function decoupling is hierarchical across the neocortex, spanning from primary networks to association networks.
High‐level hierarchical structure–function decoupling contributes much more than low‐level decoupling to individual cognition.
Structure–function decoupling could be regulated by genes associated with pivotal receptors that are crucial for neuronal function flexibility.
Segmenting hypothalamic subunits in human newborn magnetic resonance imaging data
Authors: Rasmussen Jerod M. , Wang Yun , Graham Alice M. , Fair Damien A. , Posner Jonathan , O'Connor Thomas G. , Simhan Hyagriv N. , Yen Elizabeth , Madan Neel , Entringer Sonja , Wadhwa Pathik D. , Buss Claudia ,   program collaborators for Environmental influences on Child Health Outcomes
Published: January 2024

AbstractPreclinical evidence suggests that inter‐individual variation in the structure of the hypothalamus at birth is associated with variation in the intrauterine environment, with downstream implications for future disease susceptibility. However, scientific advancement in humans is limited by a lack of validated methods for the automatic segmentation of the newborn hypothalamus. N = 215 healthy full‐term infants with paired T1‐/T2‐weighted MR images across four sites were considered for primary analyses (mean postmenstrual age = 44.3 ± 3.5 weeks, nmale/nfemale = 110/106). The outputs of FreeSurfer's hypothalamic subunit segmentation tools designed for adults (segFS) were compared against those of a novel registration‐based pipeline developed here (segATLAS) and against manually edited segmentations (segMAN) as reference. Comparisons were made using Dice Similarity Coefficients (DSCs) and through expected associations with postmenstrual age at scan. In addition, we aimed to demonstrate the validity of the segATLAS pipeline by testing for the stability of inter‐individual variation in hypothalamic volume across the first year of life (n = 41 longitudinal datasets available). SegFS and segATLAS segmentations demonstrated a wide spread in agreement (mean DSC = 0.65 ± 0.14 SD; range = {0.03–0.80}). SegATLAS volumes were more highly correlated with postmenstrual age at scan than segFS volumes (n = 215 infants; RsegATLAS2 = 65% vs. RsegFS2 = 40%), and segATLAS volumes demonstrated a higher degree of agreement with segMAN reference segmentations at the whole hypothalamus (segATLAS DSC = 0.89 ± 0.06 SD; segFS DSC = 0.68 ± 0.14 SD) and subunit levels (segATLAS DSC = 0.80 ± 0.16 SD; segFS DSC = 0.40 ± 0.26 SD). In addition, segATLAS (but not segFS) volumes demonstrated stability from near birth to ~1 years age (n = 41; R2 = 25%; p < 10−3). These findings highlight segATLAS as a valid and publicly available (https://github.com/jerodras/neonate_hypothalamus_seg) pipeline for the segmentation of hypothalamic subunits using human newborn MRI up to 3 months of age collected at resolutions on the order of 1 mm isotropic. Because the hypothalamus is traditionally understudied due to a lack of high‐quality segmentation tools during the early life period, and because the hypothalamus is of high biological relevance to human growth and development, this tool may stimulate developmental and clinical research by providing new insight into the unique role of the hypothalamus and its subunits in shaping trajectories of early life health and disease.
Into the unknown: Maternal responsiveness influences young children's support‐giving expectations of fathers but not unfamiliar others
Authors: Jia Chenglong , Shen Yuan , Zhu Ling , Sun Li , Du Kelin , Qin Jinliang 
Published: January 2024

AbstractInteractions with primary caregivers shape children's expectations of interactions with others, but the mechanism is not clear yet. We included Han Chinese children aged 5–6 (N = 121, 61 boys) from a city in East China and tested their support‐giving expectations of mothers, fathers and unfamiliar others after observing mother–child interactions with different levels of maternal responsiveness. Across two studies, we found that children's support‐giving behaviour and willingness expectations decreased significantly in the unresponsive condition for mothers and fathers but not for unfamiliar others; while these expectations did not change significantly for all partners in the responsive condition. The results suggest that relationship type between children and interaction partners moderates the effects of maternal responsiveness on children's expectations of partners' support‐giving. They shed light on how young children understand and represent interpersonal interactions.
SAA1‐dependent reprogramming of adipocytes by tumor cells is associated with triple negative breast cancer aggressiveness
Authors: Rybinska Ilona , Mangano Nunzia , Romero‐Cordoba Sandra L. , Regondi Viola , Ciravolo Valentina , De Cecco Loris , Maffioli Elisa , Paolini Biagio , Bianchi Francesca , Sfondrini Lucia , Tedeschi Gabriella , Agresti Roberto , Tagliabue Elda , Triulzi Tiziana 
Published: January 2024

AbstractTriple negative breast cancers (TNBC) are characterized by a poor prognosis and a lack of targeted treatments. Their progression depends on tumor cell intrinsic factors, the tumor microenvironment and host characteristics. Although adipocytes, the primary stromal cells of the breast, have been determined to be plastic in physiology and cancer, the tumor‐derived molecular mediators of tumor‐adipocyte crosstalk have not been identified yet. In this study, we report that the crosstalk between TNBC cells and adipocytes in vitro beyond adipocyte dedifferentiation, induces a unique transcriptional profile that is characterized by inflammation and pathways that are related to interaction with the tumor microenvironment. Accordingly, increased cancer stem‐like features and recruitment of pro‐tumorigenic immune cells are induced by this crosstalk through CXCL5 and IL‐8 production. We identified serum amyloid A1 (SAA1) as a regulator of the adipocyte reprogramming through CD36 and P2XR7 signaling. In human TNBC, SAA1 expression was associated with cancer‐associated adipocyte infiltration, inflammation, stimulated lipolysis, stem‐like properties, and a distinct tumor immune microenvironment. Our findings constitute evidence that the interaction between tumor cells and adipocytes through the release of SAA1 is relevant to the aggressiveness of TNBC.