bluuebunny/crossref_metadata_2025_split huggingface dataset:
Syngas Conversion over Co4Cluster Grafted on HZSM‐5 Zeolite: Mechanistic Insights from DFT Modeling
Authors: Vummaleti Sai V. C. , Zhang Jia , Chen Luwei , Sullivan Michael B. , Borgna Armando 
Published: November 2023

AbstractWe present a detailed DFT‐based mechanistic investigation of syngas conversion mechanism over Co4cluster grafted onto HZSM‐5 zeolite, [Co4H], employing a QM/MM embedded cluster approach. Starting from the [Co4H] complex, our results show that a favorable coordination of CO over H2, followed by CO hydrogenation leads to a stable −CH2O complex, [Co4(CH2O)(H)]. Coordination of a second CO molecule to [Co4(CH2O)(H)] complex, followed by CH2−O bond activation, and subsequent removal of CO as CO2results in the formation of crucial methylene complex [Co4(CH2)(H)], serving as a branching point for the pathways leading to methane, ethene, and ethane. On the pathway to ethene formation, coordination of a third CO molecule to [Co4(CH2)(H)] complex yields the active [Co4(CH2)(CO)(H)] complex, which is 16.0 kcal mol−1more stable than the methyl complex [Co4(CH3)] on the pathway to methane. From the active species [Co4(CH2)(CO)(H)], we demonstrate that the pathways to both methane and ethene are competing in nature, with the −CH3hydrogenation barrier, 35.1 kcal mol−1, is lower by only 1.3 kcal mol−1than the competing C−O bond activation barrier on the pathway to ethene, 36.4 kcal mol−1. However, the significant stability of the active species [Co4(CH2)(CO)(H)] effectively compensates for this minor difference in barriers, ultimately favoring the formation of ethene over methane. Finally, the ethene desorption barrier is 4.1 kcal mol−1lower than the ethene hydrogenation barrier on the pathway to ethane, indicating the ease of ethene removal from the system. Overall, our DFT study describes that the syngas conversion mechanism catalyzed by [Co4H] system produces ethene selectivelyvia4CO+2H2→C2H4+2CO2.
Hydrogen Tunneling in Stoichiometric and Catalytic Reactions involving Transition Metals
Authors: Matxain Jon M. , Huertos Miguel A. 
Published: November 2023

AbstractHydrogen tunneling is a type of quantum tunneling in which a hydrogen atom passes through a potential barrier without reaching the transition state governed by classical mechanics. The participation of hydrogen tunneling in a chemical reaction (stoichiometric or catalytic) can result in the formation of products that without this phenomenon would be impossible to achieve or would be formed in a very slow way. This concept paper aims to review some of the most representative examples of transition‐metal mediated chemical reactions involving hydrogen tunneling. The experimental tools to determine the possibility of the participation of quantum tunneling in a chemical reaction are presented. In addition, the theoretical methods that have been developed to calculate the effect of quantum tunneling on chemical reactions are discussed. Finally, from a personal perspective, the steps to be taken in order to predict and implement this phenomenon are proposed.
Rhodium‐Mediated Dehydrogenation of Hydroboranes and Group 14 Compounds: Base‐Stabilized Silylene and Germylene Complexes vs. Transmetalation
Authors: Hsiang Shou‐Jen , Hayes Paul G. 
Published: November 2023

AbstractMonocarbonyl rhodium complex LRh(CO), 1, which is stabilized by a pyrrole‐based bis(phosphinimine) pincer ligand (L=κ3‐NNN’=2,5‐[iPr2P=N(4‐iPrC6H4)]2‐N’(C4H2)−), serves as a versatile platform for the dehydrogenation of group 14 substrates. Reaction with primary and secondary silanes and germanes (MesSiH3, Et2SiH2, Ph2GeH2, tBuGeH3; Mes=mesityl) liberates H2 and yields base‐stabilized tetrylene compounds of the form κ2‐L(CO)Rh(ER2) (E=Si: R=Mes, H, 2; R=Et, 5; E=Ge: R=Ph, 6; R=tBu, H, 8). The “:ER2” fragment in these species bridges between the rhodium center and a phosphinimine donor. Preliminary reactions between pinacol (Pin) and κ2‐L(CO)Rh(ER2), E=Si, Ge, indicate that such complexes can serve as silylene and germylene synthons, releasing :ER2 and catalytically generating PinER2. In contrast, combination of complex 1 and MesGeH3 does not yield the anticipated dehydrogenation product, but rather, transmetalation similar to that observed upon reaction between 1 and 3,5‐dimethylphenylborane prevails.
Regulation of mitochondrial structure by the actin cytoskeleton
Authors: Wu Yihe , Ren Xiaoyu , Shi Peng , Wu Congying 
Published: November 2023

AbstractMitochondria are the powerhouse of the cell and play important roles in multiple cellular processes including cell metabolism, proliferation, and programmed cell death. Mitochondria are double‐membrane organelles with the inner membrane folding inward to form cristae. Mitochondria networks undergo dynamic fission and fusion. Deregulation of mitochondrial structure has been linked to perturbed mitochondrial membrane potential and disrupted metabolism, as evidenced in tumorigenesis, neurodegenerative diseases, etc. Actin and its motors‐myosins have long been known to generate mechanical forces and participate in short‐distance cargo transport. Accumulating knowledge from biochemistry and live cell/electron microscope imaging has demonstrated the role of actin filaments in pre‐constricting the mitochondria during fission. Recent studies have suggested the involvement of myosins in cristae maintenance and mitochondria quality control. Here, we review current findings and discuss future directions in the emerging fields of cytoskeletal regulation in cristae formation, mitochondrial dynamics, intracellular transport, and mitocytosis, with focus on the actin cytoskeleton and its motor proteins.
Barley–Pulse Intercropping Improves Resource Use Efficiency and Soil Health
Authors: Liang Xi , Kayler Zachary , von Rein Isabell , Shaber Jonathon , Sapkota Bala 
Published: November 2023

AbstractSemiarid regions in southern Idaho receive a small amount of annual precipitation (e.g., 9–12 inches), and crop options are very limited in dryland farming without supplemental irrigation. To diversify cropping systems, growers can incorporate crops with lower water requirements through rotations and intercropping. Field trials were conducted to evaluate crop yield and soil health in barley–pulse intercrops under full and deficit irrigation with no supplemental N fertilizers. Earn 0.5 CEUs in Soil & Water Management by reading this article and taking the quiz at https://web.sciencesocieties.org/Learning‐Center/Courses.
A novel energy‐efficient routing protocol for industrial WSN using hybrid COOT‐LS algorithm with LSTM‐based DOM prediction
Authors: Ravikumar P. , Kumar P. Ganesh 
Published: November 2023

SummaryIndustrial wireless sensor networks (IWSNs) are very important to improve and simplify the way to manage, monitor, and control industrial factories. IWSNs have many benefits, but because of their vulnerability to extremely complex and variable industrial contexts, they also limit some of the potential that is currently available and present difficulties on numerous fronts. The proposed work develops energy‐efficient routing technique to minimize the overall energy consumption. Heterogeneous mobile nodes are randomly deployed in the experimental region; then, region‐based grid formation is done in the proposed method. In each grid, the base node is selected utilizing the parameters like residual energy and distance of mobile nodes. Hybrid COOT‐HOA optimization is used in the proposed method for selecting the optimal base node in each grid. A deep learning‐based machine learning algorithm called long short‐term memory (LSTM) is utilized to predict the future direction of movement (DOM) of each mobile node in the grid. Estimation of signal parameters via rotational invariance technique (ESPRIT) is utilized to find an active zone from the sender node to direction of base node. Then, the sender node transmits the data to its nearest node in the active region. This proposed energy‐efficient routing algorithm is tested with several metrics which attains better performance like 94% packet delivery ratio, 7% packet loss, average residual energy of 9.5 J, and 3.4 Mbps throughput. Thus, the energy‐efficient routing protocol used in the proposed approach transfers the data in an energy‐efficient manner for IWSN.
Non‐invasive measurement of blood pressure waveform based on spatiotemporal multi‐dimensional pulse waves
Authors: Lin Dongmei , Wang Hengkun , Zhang Aihua , Gu Jason , Chen Xiaolei , Li Ce , Ma Yurun 
Published: November 2023

AbstractContinuous monitoring of blood pressure (BP) waveform is essential for the prevention and diagnosis of cardiovascular diseases because it contains rich information. A vision‐based non‐invasive measurement method of BP waveform was proposed in this work. A binocular vision pulse acquisition system was utilized to collect continuous pulse images in a predetermined area of radial artery, and multi‐dimensional pulse waves were extracted from image sequences. By using Bi‐directional Long‐Short Term Memory (BiLSTM) networks, a model suitable for the inputs of multitype pulse waves under multi‐length windows has been established. The model can measure BP wave with high accuracy more than 0.94 (correlation coefficient). Measurement errors are less than (4.65 ± 5.80) mmHg for systolic blood pressure and (6.45 ± 7.40) mmHg for diastolic blood pressure. This study breaks through the limitation of obtaining BP from single‐dimensional pulse wave in previous studies and provides a new idea for non‐invasive measurement of human BP waveform.
Performance analysis of full duplex and frequency reuse in NR‐V2X networks
Authors: Aslani Rojin , Saberinia Ebrahim 
Published: November 2023

AbstractThis paper employs full duplex (FD) and frequency reuse (FR) to improve the spectral efficiency while considering inter‐carrier interference (ICI) in 5G new radio vehicle‐to‐everything (NR‐V2X) networks. The quality of service of vehicle‐to‐vehicle (V2V) communications in such a system is affected by the self‐interference (SI) caused by FD, the co‐channel interference (CCI) caused by FR, and ICI caused by the Doppler effect. We present a performance analysis by proposing feasibility conditions for implementing FD and FR in NR‐V2X networks. We obtain a closed‐form expression for the maximum link distance between the transmitter and receiver of a link to provide reliable V2V communications. Our simulation results reveal the interplay between FD and FR technologies and demonstrate the performance gains of our proposed scheme compared to existing schemes in the literature.
A simplified protocol for the automated production of 2‐[18F]fluoro‐3‐[2‐((S)‐3‐pyrrolinyl)methoxy]pyridine ([18F]nifene) on an IBA Synthera® module
Authors: Bhuiyan Mohammed , Souris Jeffrey , Kucharski Anna , Freifelder Richard , Mukherjee Jogeshwar , Chen Chin‐Tu 
Published: November 2023

The α4β2 nicotinic acetylcholine receptor (nAChR) ligand 2‐[18F]fluoro‐3‐[2‐((S)‐3‐pyrrolinyl)methoxy]pyridine ([18F]nifene) has been synthesized in 10% decay‐corrected radiochemical yield using the IBA Synthera® platform (IBA Cyclotron Solutions, Louvain‐la‐Neuve, Belgium) with an integrated fluidic processor (IFP). Boc‐nitronifene served as the precursor, and 20% trifluoroacetic acid (TFA) was used to deprotect the Boc‐group after radiolabeling. By omitting the solvent extraction step after radiolabeling, the process was simplified to a single step with no manual intervention. [18F]Nifene was obtained in decay‐corrected radiochemical yields of 10 ± 2% (n = 20) and radiochemical purity >99%. Typical specific radioactivities of 2700–4865 mCi/μmole (100–180 GBq/μmol) were measured at the end of synthesis; total synthesis times were about 1 h 40 min.
Compositional and Functional MRI of Skeletal Muscle: A Review
Authors: Hooijmans Melissa T. , Schlaffke Lara , Bolsterlee Bart , Schlaeger Sarah , Marty Benjamin , Mazzoli Valentina 
Published: November 2023

Due to its exceptional sensitivity to soft tissues, MRI has been extensively utilized to assess anatomical muscle parameters such as muscle volume and cross‐sectional area. Quantitative Magnetic Resonance Imaging (qMRI) adds to the capabilities of MRI, by providing information on muscle composition such as fat content, water content, microstructure, hypertrophy, atrophy, as well as muscle architecture. In addition to compositional changes, qMRI can also be used to assess function for example by measuring muscle quality or through characterization of muscle deformation during passive lengthening/shortening and active contractions. The overall aim of this review is to provide an updated overview of qMRI techniques that can quantitatively evaluate muscle structure and composition, provide insights into the underlying biological basis of the qMRI signal, and illustrate how qMRI biomarkers of muscle health relate to function in healthy and diseased/injured muscles. While some applications still require systematic clinical validation, qMRI is now established as a comprehensive technique, that can be used to characterize a wide variety of structural and compositional changes in healthy and diseased skeletal muscle. Taken together, multiparametric muscle MRI holds great potential in the diagnosis and monitoring of muscle conditions in research and clinical applications.Evidence Level5Technical EfficacyStage 2
Epstein‐Barr virus and host cell 3D genome organization
Authors: Wang Chong , Zhao Bo 
Published: November 2023

AbstractThe human genome is organized in an extremely complexed yet ordered way within the nucleus. Genome organization plays a critical role in the regulation of gene expression. Viruses manipulate the host machinery to influence host genome organization to favor their survival and promote disease development. Epstein‐Barr virus (EBV) is a common human virus, whose infection is associated with various diseases, including infectious mononucleosis, cancer, and autoimmune disorders. This review summarizes our current knowledge of how EBV uses different strategies to control the cellular 3D genome organization to affect cell gene expression to transform normal cells into lymphoblasts.
Development of a polyphenol‐enriched whole kiwifruit dietary supplement and its potential in ameliorating hyperlipidemia
Authors: Wang Xingnan , Ren Yaopeng , Li Shiqi , Guo Chunfeng , Gao Zhenpeng 
Published: November 2023

AbstractBACKGROUNDKiwifruit pomace, which contains abundant phenolic compounds, is typically discarded during the juicing process, leading to wastage of valuable resources. To address this issue, various indicators (including total acidity, sugar/acid ratio, vitamin C, total polyphenols, polyphenol monomers, and soluble solids content) of 15 kiwifruit cultivars were evaluated and juiced. Then, a polyphenol‐concentrated solution from kiwifruit pomace was backfilled into kiwi juice to prepare whole nutritious compound kiwi juice, and its anti‐hyperlipidemic activity on obese model mice was then investigated.RESULTSThrough grey relational analysis and the technique for order preference by similarity to an ideal solution (TOPSIS), Kuimi and Huayou were identified as the predominant varieties for juicing, with weighted relevance scores of 0.695 and 0.871 respectively and TOPSIS scores of 0.6509 and 0.8220 respectively. The polyphenol content of Cuixiang pomace was 43.97 mg g−1, making it the most suitable choice for polyphenol extraction. By backfilling a polyphenol‐concentrated solution derived from Cuixiang pomace into compound kiwi juice of Huayou and Kuimi, the whole nutritious compound kiwi juice with polyphenols was produced and exhibited superior bioactivities, including enhanced hepatic oxidative stress defense, and alleviated serum lipid abnormalities. Furthermore, whole nutritious compound kiwi juice with polyphenols ameliorated host intestinal microbiota dysbiosis by increasing the relative abundance of the phyla Bacteroidota and Verrucomicrobiota.CONCLUSIONA hypolipidemic dietary supplement based on kiwifruit pomace polyphenols has been successfully developed, providing an effective solution for hyperlipidemia intervention. © 2023 Society of Chemical Industry.
Toward physically realistic vision in teleoperation: A user study with light‐field head mounted display and 6‐DoF head motion
Authors: Bechtel Nicolai , Weber Bernhard , Severin Pascal , Sancho Aragon Jaime , Van Bogaert Laurie , Panzirsch Michael 
Published: November 2023

AbstractBesides haptics, the visual channel provides the most essential feedback to the operator in teleoperation setups. For optimal performance, the view on the remote scene must provide 3D information, be sharp, and of high resolution. Head‐mounted displays (HMD) are applied to improve the immersion of the operator into the remote environment. Still, so far, no near‐eye display technology was available that provides a natural view on objects within the typical manipulation distance (up to 1.2 m). The main limitation is a mismatch of the 3D distance and the focal distance of the visualized objects (vergence‐accommodation conflict) in displays with fixed focal distance. This conflict potentially leads to eye strain after extended use. Here, we apply a light‐field HMD providing close‐to‐continuous depth information to the user, thus avoiding the vergence‐accommodation conflict. Furthermore, we apply a time‐of‐flight sensor to generate a 2.5D environment model. The displayed content is processed with image‐based rendering allowing a 6 degree‐of‐freedom head motion in the visualized scene. The main objective of the presented study is evaluating the effects of view perspective and light‐field on performance and workload in a teleoperation setup. The reduction of visual effort for the user is confirmed in an abstract depth‐matching task.
Local SAR management strategies to use two‐channel RF shimming for fetal MRI at 3 T
Authors: Yetisir Filiz , Abaci Turk Esra , Adalsteinsson Elfar , Wald Lawrence Leroy , Grant Patricia Ellen 
Published: November 2023

AbstractPurposeThis study evaluates the imaging performance of two‐channel RF‐shimming for fetal MRI at 3 T using four different local specific absorption rate (SAR) management strategies.MethodsDue to the ambiguity of safe local SAR levels for fetal MRI, local SAR limits for RF shimming were determined based on either each individual's own SAR levels in standard imaging mode (CP mode) or the maximum SAR level observed across seven pregnant body models in CP mode. Local SAR was constrained either indirectly by further constraining the whole‐body SAR (wbSAR) or directly by using subject‐specific local SAR models. Each strategy was evaluated by the improvement of the transmit field efficiency (average |B1+|) and nonuniformity (|B1+| variation) inside the fetus compared with CP mode for the same wbSAR.ResultsConstraining wbSAR when using RF shimming decreases B1+ efficiency inside the fetus compared with CP mode (by 12%–30% on average), making it inefficient for SAR management. Using subject‐specific models with SAR limits based on each individual's own CP mode SAR value, B1+ efficiency and nonuniformity are improved on average by 6% and 13% across seven pregnant models. In contrast, using SAR limits based on maximum CP mode SAR values across seven models, B1+ efficiency and nonuniformity are improved by 13% and 25%, compared with the best achievable improvement without SAR constraints: 15% and 26%.ConclusionTwo‐channel RF‐shimming can safely and significantly improve the transmit field inside the fetus when subject‐specific models are used with local SAR limits based on maximum CP mode SAR levels in the pregnant population.
Pomegranate effects on the health aspects of women during peri‐ and postmenopause: A systematic review and meta‐analysis
Authors: Moeini Reihaneh , Shirafkan Hoda , Gorji Narjes 
Published: November 2023

AbstractPomegranate is widely used to preserve human health and help prevent many kinds of diseases. This study aims to review and assess the effects of pomegranate on women's health during and after menopause. PubMed, Web of science, Cochrane, Scopus, and Google Scholar were searched up to the end of 2022 with no language or study type restriction. All types of clinical research studies (randomized clinical trial [RCT], pre–post, case report, and case series) were included. The Cochrane RoB 2.0 tool was used for quality assessment of RCTs. A summary of intervention's effects for each study was provided by calculating standardized mean differences and accompanying 95% confidence interval using random effect model. Weighted mean differences and heterogeneity between studies were assessed using Hedges's method and Cochran's Q test, respectively. Pomegranate can significantly improve hot flashes severity and menopause symptoms and decrease FSH. It significantly improves high‐density lipoprotein but not low‐density lipoprotein, body mass index, and weight. Most of our results are inconclusive, and the small sample sizes and the lack of blinding and randomization have led to an increased risk of bias. Pomegranate can decrease menopause symptoms, but more well‐designed studies, with bigger sample sizes are needed to establish its other clinical benefits for menopausal women.
Temperature‐Dependent Color‐Tunable Afterglow in Zirconium‐Doped CsCdCl3 Perovskite for Advanced Anti‐Counterfeiting and Thermal Distribution Detection
Authors: Zhu Xuanyu , Gu Tingxiang , Zhao Lei , Gao Wei , Liu Haozhe , Nie Lin , Zhao Feng , Yue Yang , He Qingshan , An Xin , Hao Puyan , Yakovlev Alexey Nikolaevich , Hu Tingting , Yu Siufung , Xu Xuhui , Yu Xue , Wang Ting 
Published: November 2023

AbstractPersistent luminescence (PersL) materials exhibit thermal‐favored optical behavior, enabling their unique applications in security night vision signage, in vivo bioimaging, and optical anti‐counterfeiting. Therefore, developing efficient and color‐tunable PersL materials is significantly crucial in promoting advanced practical use. In this study, hexagonal Zr4+‐doped CsCdCl3 perovskite is synthesized via a hydrothermal reaction with a tunable photoluminescent (PL) behavior through heterovalent substitution. Moreover, the incorporation of Zr4+ ions result in an extra blue emission band, originating from the enhanced excitonic recombination in D3d octahedrons. Furthermore, the afterglow performances of the samples are dramatically improved, along with the noticeable temperature‐dependent PersL as well as the thermo‐luminescence with tunable color output. Detailed analysis reveals that the unique temperature‐dependent PersL and thermo‐luminescence color change are attributed to the presence of multiple luminous centers and abundant traps. Overall, this work facilitates the development of optical intelligence platforms and novel thermal distribution probes with the as‐developed halides perovskite for its superior explored PersL characteristic.