bluuebunny/crossref_metadata_2025_split huggingface dataset:
Application of two-component neural network for exchange-correlation functional interpolation
Authors: Ryabov Alexander , Akhatov Iskander , Zhilyaev Petr 
Published: August 2022

Abstract
Density functional theory (DFT) is one of the primary approaches to solving the many-body Schrodinger equation. The essential part of the DFT theory is the exchange-correlation (XC) functional, which can not be obtained in analytical form. Accordingly, the accuracy improvement of the DFT is mainly based on the development of XC functional approximations. Commonly, they are built upon analytic solutions in low-and high-density limits and result from quantum Monte Carlo or post-Hartree-Fock numerical calculations. However, there is no universal functional form to incorporate these data into XC functional. Instead, various parameterizations use heuristic rules to build a specific XC functional. The neural network (NN) approach to interpolate the data from higher precision theories can give a unified path to parametrize an XC functional. Moreover, data from many existing quantum chemical databases could provide the XC functional with improved accuracy. We develop NN XC functional, which gives exchange potential and energy density without direct derivatives of exchange-correlation energy density. Proposed NN architecture consists of two parts NN-E and NN-V, which could be trained in separate ways, adding new flexibility to XC functional. We also show that the developed NN XC functional converges in the self-consistent cycle and gives reasonable energies when applied to atoms, molecules, and crystals.
Research trend analysis of anaerobic fermentation based on the Web of Science database
Authors: Zhang Yuanchun , Wang Xiaona , Zhu Wenbin , Wang Nuohan , Wang Qunhui , Wu Chuanfu , Gao Ming 
Published: July 2022

Abstract
In order to gain an in-depth understanding of the global status and frontier trends of anaerobic-fermentation-related research, bibliometric analysis was used to statistically analyse the relevant research papers included in the SCI-Expanded database from 2001 to 2020 with “anaerobic ferment*” as the search keyword. Amongst the top 10 research institutions, eight were from China and two were from Australia, and the Chinese Academy of Sciences ranks first in the number of publications. Biotechnology & Applied Microbiology, Energy & Fuels, Engineering and Ecology are the mainstream fields with the largest number of publications on anaerobic fermentation. The analysis of keywords revealed that the development of cheap and easily available raw materials with high organic matter content, the production of clean energy substances and high value-added platform products, and the anaerobic biorefinery processes with co-production of multiple products, will continue to become global research hotspots in future research.
A new damage probability calculation of submunition to target based on intersection volume algorithm
Authors: Peng Weishi , Fang Yangwang 
Published: August 2022

Abstract
Target Damage Effectiveness Evaluation (TDEE) is not only an important guarantee for commanders to make decision-making follow-up actions, effectively control the combat process and optimize the fire attack scheme to the greatest extent, but also an important way to detect target information search, target research and target selection. Damage probability calculation is one of the most important performance index of the TDEE. In this paper, a new damage probability calculation method for submunition to target is proposed based on intersection volume algorithm. Firstly, the intersection between submunition and a target is studied, and the calculation model of target damage probability is given; secondly, a damage probability calculation method was proposed based on intersection volume algorithm. Finally, the correctness of the proposed method is verified by the numerical examples.
A Pathogenesis-Related Protein 1 of Cucurbita moschata responds to powdery mildew infection
Authors: Guo Wei-Li , Yang He-Lian , Zhao Jin-Peng , Bian Shi-Jie , Li Qing-Fei , Guo Yan-Yan , Chen Bi-Hua , Li Xin-Zheng 
Published: August 2022

Abstract
Background: Pumpkin (Cucurbita moschata Duch.) productivity is severely hindered by powdery mildew worldwide. The causative agent of pumpkin PM is Podosphaera xanthii, a biotrophic fungus. To identify genes involved in the defense response to PM attack, we performed a transcriptomic analysis of a highly-resistant pumpkin genotype by RNA-sequencing. Pathogenesis-related protein 1 (PR1) is among the most abundantly produced proteins in plants responding to pathogen attacks. In this study, we identified and investigated the effects of CmPR1 gene from C. moschata for resistance to powdery mildew. Results: Subcellular localization assay in Arabidopsis protoplasts revealed that CmPR1 is a cytoplasmic protein in plants. The expression of CmPR1 gene was strongly induced by P. xanthii and exogenous ethylene, jasmonic acid and NaCl treatments, but repressed by hydrogen peroxide and salicylic acid treatments. Visual disease symptoms, histological observations of fungal growth and host cell death, and accumulation of H2O2 in transgenic tobacco plants indicated that CmPR1 overexpression significantly enhanced the resistance to Golovinomyces cichoracearum compared to wild type plants during powdery mildew pathogens infection, possibly due to inducing cell death and H2O2 accumulation near infected sites. The expression of PR1a was significantly induced in transgenic tobacco plants in response to G. cichoracearum, suggesting that CmPR1 overexpression positively modulates the resistance to powdery mildew via the SA signaling pathway. Conclusions: These findings indicate that CmPR1 is a defense response gene in C. moschata and and can be exploited to develop disease-resistant crop varieties.
Comprehensive analysis of laccase gene family in tea plant highlights their roles in development and stress responses
Authors: Zhu Jiaxin , Zhang Hongxiu , Guo Rui , Zhao Jingjuan , Xie Hui , Zhu Junyan , Gu Honglian , Chen Hongrong , Li Guoqiang , Wei Chaoling , Liu Shengrui 
Published: August 2022

Abstract
Background
Laccase (LAC) is the pivotal enzyme responsible for the polymerization of monolignols and stress responses in plants. However, the roles of the LAC gene family in plant development and diverse stresses tolerance are still largely unknown, especially in tea plant (Camellia sinensis), one of the most important economical crops worldwide.
Results
In total, 51 CsLAC genes were identified, which were uneven distributed on different chromosomes and classified into six groups based on phylogenetic analysis. CsLAC gene family had diverse intro-exon patterns and highly conserved motif distribution. Promoter cis-acting elements demonstrated that promoter regions of CsLACs encode various elements associated with light, phytohormone, development and stresses. Collinearity analysis identified some orthologous gene pairs in C. sinensis and many paralogous gene pairs among C. sinensis, Arabidopsis and Populus. Tissue-specific expression profiles revealed that the majority of CsLACs had high expression in root and stem and some members had specific expression patterns in other tissues, and expression patterns of six genes by qRT-PCR were highly consistent with the transcriptome data. Most of CsLACs were involved in abiotic (cold and drought) and biotic stresses (insect and fungus) stresses via transcriptome data. Among them, CsLAC3 was localized in plasma membrane and was involved in response to gray blight treatment by qRT-PCR analysis. We found 12 CsLACs were predicted to be the targets of cs-miR397a, and the expression patterns of ‘cs-miR397a/CsLACs’ were obtained. Additionally, 18 highly polymorphic SSR markers were developed, which can be widely used for diverse genetic researches of tea plant.
Conclusions
Based on a comprehensive analysis, our study provides target genes for regulating the lignin biosynthesis and lays the foundation for understanding the function of CsLACs in tea plant.
Coordinating Resources for a Hybrid Effectiveness and Implementation Trial Across an Integrated Digital Network
Authors: Bosak Kelly , Abusalim Nadeen 
Published: August 2022

Abstract
Background
Technological innovation is revolutionizing the delivery of healthcare. Digital networks provide the infrastructure needed for multi-site interventions but increase the complexity of conducting these interventions. A pre-implementation investigation was conducted of an existing infrastructure, the Greater Plains Collaborative (GPC) an integrated digital network of electronic health record (EHR) systems of 12 leading health centers across 10 states in the Midwest. The purpose was to assess the processes through which effects can be achieved and priorities established to support a subsequent hybrid implementation and effectiveness trial for exercise adherence for adults with heart failure (HF). The objectives of this investigation were to: 1) engage the data coordinators at each site to query their EHR system to estimate the population of HF patients across the network, 2) evaluate the accessibility of the Patient Reported Outcome Measurement Information System (PROMIS) in the EHR, and 3) determine if the data requested could be reported in a complete and timely manner.
Methods
This retrospective study used a data query in REDCap distributed to the clinical data coordinators at each GPC network health system. Descriptive analysis was conducted.
Results
The data was collected from January 1, 2019–2021. The total number of adult patients age ≥ 18 years diagnosed with HF (ICD10:I50) who were receiving care at each of the GPC network institutions ranged from just under 500,000 to over 2,500,000. The mean number of adults with HF was 171,715 (range 4,279 − 36,856) across 10 sites. Ten health systems responded within 48 hours to our query. Only two (20%) of 10 sites reported PROMIS measures available in the EHR, six (60%) reported PROMIS measures accessible outside the EHR, and two (20%) were uncertain.
Conclusions
Future trials leveraging the infrastructure and resources of the existing GPC network can be enhanced by early identification of resources needed for knowledge translation. Coordination is essential to improve dissemination and implementation, and ultimately, to enhance adoption of guideline-directed exercise recommendations for adults with heart failure (HF) to realize the benefits. Establishing a clinical coordinating center and applying principles of program management is needed.
Adverse Effects of Tamoxifen Treatment on Bone Mineral Density in Premenopausal Patients with Breast Cancer: A Systematic Review and Meta-Analysis
Authors: Lee Soo Jin , Cha Chihwan , Hong Hanpyo , Choi Yun Young , Chung Min Sung 
Published: August 2022

Abstract

The effects of adjuvant tamoxifen therapy on bone mineral density (BMD) in premenopausal patients with breast cancer remains uncertain and, the aim of this meta-analysis was to assess this in premenopausal women with primary breast cancer. Through April 2020, studies reporting BMD changes of lumbar spine or hip in premenopausal women with primary breast cancer treated with adjuvant tamoxifen and tamoxifen plus chemotherapy or ovarian function suppression (OFS) were collected from EMBASE and PubMed. The pooled analysis was performed using random effects model of the standardized mean difference (SMD) of BMD in patients. A total of 1,432 premenopausal patients from eight studies were included. After a 3-year median follow-up, adjuvant tamoxifen decreased the lumbar spinal and hip BMD by as much as an SMD of -1.17 and − 0.66, respectively. Compared with patients who received tamoxifen alone, patients who received combination therapy with chemotherapy or OFS showed lower bone loss compared with tamoxifen alone at the lumbar spine. Our meta-analysis demonstrated that adjuvant tamoxifen therapy in premenopausal patients caused bone loss after 3 years of follow-up, especially at the lumbar spines. For a definite evaluation of the adverse effects of tamoxifen on bone, it is necessary to accumulate more relevant studies.
Sub-THz wireless transmission based on graphene integrated optoelectronic mixer
Authors: Montanaro Alberto , Piccinini Giulia , Mišeikis Vaidotas , Sorianello Vito , Giambra Marco Angelo , Soresi Stefano , Giorgi Luca , D'Errico Antonio , Watanabe Kenji , Taniguchi Takashi , Pezzini Sergio , Coletti Camilla , Romagnoli Marco 
Published: August 2022

Abstract
Optoelectronics is a valuable solution to scale up wireless links frequency to sub-THz in the next generation antenna systems and networks. We propose an innovative, low-power consumption, small footprint building block for 5G and 6G new radio wireless transmission allowing broadband capacity (e.g., 10–100 Gb/s per link and beyond). We pioneer the first wireless datalink based on graphene, reaching setup limited sub-THz carrier frequency and multi-Gbit/s data rate using a graphene-based integrated optoelectronic mixer capable of mixing an optically generated ~ 100 GHz reference oscillator with a baseband electrical signal. We report > 96GHz optoelectronic bandwidth and − 44 dB upconversion efficiency with a footprint significantly smaller than those of state-of-the-art photonic transmitters (i.e., < 0.1 mm2). This paves the way to the development of novel arrayed-antennas for millimeter-wave technology relying on a new approach which takes advantage of optics. These results have been achieved thanks to an integrated-photonic technology based on wafer-scale high-mobility graphene.
Evaluation of intrafractional prostate displacement during prostate radiotherapy using Clarity ultrasound system
Authors: Zahir Nur Syazana Mohd , Saad Marniza , Alip Adlinda , Rejab Munira , Jamalludin Zulaikha , Hizam Nur Diyana Afrina , Liew Yih Miin , Ung Ngie Min 
Published: August 2022

Abstract
Clarity ultrasound (US) is an image-guided radiotherapy system used for tracking intrafraction prostate displacements in real time. The objectives of this study are to evaluate intrafraction prostate displacements and derive planning target volume (PTV) margins for prostate radiotherapy at our institution. The ultrasound (US) data of nine prostate cancer patients referred for VMAT radiotherapy was retrieved. Prior to beam on, patient position was set up with the US probe positioned transperineally with the aid of reference images (fused US and computed tomography images). In each fraction, prostate displacements in three directions [superior/inferior (SI), left/right (LR) and anterior/posterior (AP)] were recorded. PTV margins were determined using Van Herk’s formula. To assess the prostate displacement time trend, continuous displacement data were plotted in 30-second intervals for eight minutes. The intrafraction prostate monitoring found a population mean setup error (Mp) of 0.8, 0.1, -1.7 mm, a systematic error of (∑p) 0.7, 0.4, 0.9 mm and random error (σp) of 0.2, 0.1, 0.3 mm in SI, LR and AP directions, respectively. The PTV margin was found to be the largest in the AP direction at 2.5 mm compared with 1.9 mm and 1.1 mm for SI and LR directions, respectively. The PTV margin allowed for prostate radiotherapy at our institution was 2.5 mm in all directions. The prostate displacement time trend showed an increase in intrafraction displacements. Clarity is feasible for monitoring intrafraction displacement of the prostate and may facilitate PTV margin generation to account for such displacements during radiotherapy.
Skewed X-chromosome inactivation in women with idiopathic intellectual disability as indicative of pathogenic variants
Authors: Chaves Luiza D. , Carvalho Laura M. L. , Tolezano Giovanna C. , Pires Sara F. , Costa Silvia S. , Scliar Marília de O. , Giuliani Liane de R. , Bertola Debora R. , Santos-Rebouças Cintia B. , Seo Go Hun , Otto Paulo A. , Rosenberg Carla , Vianna-Morgante Angela M. , Krepischi Ana Cristina Victorino 
Published: August 2022

Abstract
Intellectual disability (ID) is an early onset impairment in cognitive functioning and adaptive behavior, affecting approximately 1% of the population worldwide. Extreme deviations of X-chromosome inactivation (XCI) can be related to ID phenotypes caused by pathogenic variants in the X-chromosome. We analyzed the blood pattern of XCI in 194 women with idiopathic ID, using the androgen receptor gene (AR) methylation assay. Among the 136 patients who were informative, 11 patients (8%) presented with extreme or total XCI deviation (≥90%), which was significantly higher than the deviation expected by chance. Whole-exome data obtained from these 11 patients revealed the presence of dominant pathogenic variants in eight of them, all sporadic cases, resulting in a molecular diagnosis rate of 73%. All variants were mapped to ID-related genes with dominant phenotypes: four variants in the X-linked genes DDX3X (two patients), WDR45 and PDHA1), of which one is an XCI escape gene (DDX3X), and four variants in autosomal genes (KCNB1, CTNNB1, YY1, ANKRD11). Three of the autosomal genes had no obvious correlation with the observed XCI skewing. However, YY1 is a known transcriptional repressor that acts in the binding of the XIST long noncoding RNA on the inactive X chromosome, providing a mechanistic link between the pathogenic variant and the detected skewed XCI in the carrier. These data confirm that extreme XCI skewing in females with ID is highly indicative of causative X-linked pathogenic variants and point to the possibility of identifying causative variants in autosomal genes with a role in XCI.
Antigen evolution from D614, to G614, to Delta, and to Omicron subtype of SARS-CoV-2
Authors: Zuo Peijun , Zuo Longlong , Li Zhihong , Liu Chunlai , Li Liping 
Published: August 2022

Abstract
Importance: Since 2019, the antigens from Severe Acute Respiratory Syndrome Corona Virus 2 (SARS-CoV-2) are keeping in evolution from initial D614, to G614, to Delta, and to Omicron. The reasons of why the D614 subtype of SARS-CoV-2 was mutated to G614 first, to Delta second, and to Omicron third, are very importance in public health.Objective: To determine if the “roughness” of the antigens is difference among the candidates leading to mutated to G614, Delta, and Omicron sub-type of SARS-CoV-2. The hypothesis is that, the “roughest” antigen mutated first, the least “rough” antigen mutated last.Design: Survey the amino acids sequence of SARS-CoV-2 in 2022.Setting: Data from NCBI.Participants: One D614 protein sequence and 3 G614 sequences were selected from NCBI data base. Seven peptides from SARS-CoV-2 were analyzed. Our findings suggest that the order of the evolution of antigens were from D614G, that we refer to as “rough” status, to Delta, which we refer to as “precise” status, and to Omicron, that we refer to as the “most precise” status. In this paper, we would like to show initial data of how the antigens from the initial D614 strain evolved to G614, to Delta, then to the Omicron variant of SARS-CoV-2. This finding could help with the development of reagents for detecting both D614G, Delta, and Omicron antigens, or even to help with the development of vaccines against mutated SARS-CoV-2 or to help to control covid-19 pandemic. Antigen for the D614G, Delta, and Omicron variants of SARS-CoV-2 can be designed in silicon, developed in a laboratory, and then confirmed in animal models.
Constant ductility inelastic displacement ratio spectra of shape memory alloy-friction self-centering structures based on a hybrid model
Authors: Zhang Zhenhua , Shen Hu , Wang Qinting 
Published: August 2022

Abstract
Previous researches on the constant ductility inelastic displacement ratio spectra (\({C}_{{\mu }}\)) of self-centering structures have been conducted based on the typical flag-shaped self-centering (FS) model. However, the arising shape-memory-alloy-friction self-centering structures (SMAFSs) own their specialized force-displacement relationship different from the typical FS model. In this research, a hybrid force-displacement model composed of the typical FS model and Coulomb friction model is employed and an efficient calculating procedure is proposed to statistically investigate the \({C}_{{\mu }}\) of SMAFSs. Comparison with the \({C}_{{\mu }}\)of the typical FS system with similar self-centering capacity shows that the \({C}_{{\mu }}\)of the SMAFS is significantly different from that of the typical FS system, which explains the necessity of employing the hybrid model for SMAFSs and the effects of the friction. The effects of seismic parameters and structural parameters on the \({C}_{{\mu }}\) of SMAFSs are investigated. Furthermore, the formula for estimating the \({C}_{{\mu }}\) of SMAFSs is proposed through statistical regression. This proposed formula could estimate the \({C}_{{\mu }}\) of SMAFSs and describe the effects of structural parameters more accurately. The research could provide a basis of estimating the \({C}_{{\mu }}\) of SMAFSs to obtain reliable seismic design results of the structures.
Diagnostic value of whole-body phase angle and MNA-SF among the elderly with different phases of sarcopenia in community
Authors: ZHU Xiaoli , DONG Xinying , WANG Li , Lao Xueting , Li Shugang , Wu Hao 
Published: August 2022

Abstract
Objective To compare the diagnostic effects of PhA and MNA-SF in the different stages of sarcopenia, and to analyze the diagnostic value of the combined detection of PhA and MNA-SF for different stages of sarcopenia among the elderly community. Methods The elderly aged 65 and above were enlisted during community outpatient service and their nutritional status was evaluated by MNA-SF scale. The composition with bioelectrical impedance analysis (BIA) was used to test PhA for identifying the diagnostic value of PhA and MNA-SF in different stages of sarcopenia among the elderly community and to analyze the diagnostic effect of combined detection of PhA and MNA-SF. Results The AUC of PhA in the diagnosis of possible sarcopenia was 0.639, the sensitivity was 58.10%, the specificity was 66.67%, and the cut-off value was 4.5. The AUC of combined detection of PhA and MNA-SF for possible sarcopenia was 0.641, the sensitivity was 57.14%, and the specificity was 70.00%. The AUC of MNA-SF for the diagnosis of pre-sarcopenia was 0.805, the sensitivity was 66.67%, the specificity was 85.83%, and the cut-off value was 12. The AUC of combined detection of PhA and MNA-SF was 0.826, the sensitivity was 75.00%, and the specificity was 85.00%. PhA and MNA-SF all had the diagnostic value for sarcopenia, the AUC was 0.862,0.734, the sensitivity was 66.67% and 78.79%, the specificity was 92.50% and 65.00%, the cut-off value was 4.1 and 13. The AUC of combined detection of PhA and MNA-SF for sarcopenia was 0.879, the sensitivity was 81.82% and the specificity was 82.50%. Conclusion The value of PhA alone or combined detection was higher than that of MNA-SF in the diagnosis of possible sarcopenia, the value of MNA-SF alone or combined detection was higher than that of PhA in the diagnosis of pre-sarcopenia. Compared to MNA-SF, the PhA had a higher value in the diagnosis of sarcopenia, which provides references for identifying patients with different stages of sarcopenia in the community.