bluuebunny/crossref_metadata_2025_split huggingface dataset:
Halogen Bonding Channels for Magnetic Exchange in Cu(II) Complexes with 2,5‐Di(methylthio)‐1,3,4‐thiadiazole
Authors: Lavrenova Ludmila G. , Ivanova Alina I. , Glinskaya Lyudmila A. , Artem'ev Alexander V. , Lavrov Alexander N. , Novikov Alexander S. , Abramov Pavel A. 
Published: January 2023

AbstractCopper(II) complexes with 2,5‐bis(methylthio)‐1,3,4‐thiadiazole (tda) formulated as [Cu(tda)nX2] (n=2, X=Cl−, Br−, C2N3−; n= 1, X=C2N3−) have been isolated and fully characterized. The crystal structures of all compounds have been determined using single‐crystal X‐ray diffraction (SCXRD). A study of the magnetic susceptibility in the range 1.77–300 K has shown that magnetic properties of the [Cu(tda)2Cl2] and [Cu(tda)2Br2] complexes match those of 1D chains of antiferromagnetically‐coupled Cu2+ ions. The intrachain interaction J in [Cu(tda)2Cl2] turns out to be ∼1.2 times weaker than in its bromide analogue. In its turn, [Cu(tda)2(C2N3)2] exhibits J being an order of magnitude smaller and of the opposite ferromagnetic sign. Halogen bonding (HB) between adjacent complexes is much stronger than the H‐bonds or π‐π interactions between tda ligands according to the DFT calculations.
Simulations of the M@TETelescope
Authors: Cuzco Josué , Torres Ibrahim , Sacahuí Rodrigo , González María M. , Alfaro Rubén , Pérez Yunior , Serna José , Bretz Thomas , Dorner Daniela 
Published: January 2023

AbstractThe M@TE (Monitoring at TeV Energies) project consists of the installation of a small Imaging Air Cherenkov Telescope (IACT) at the Observatorio Astronómico Nacional de San Pedro Mártir, Mexico, for long‐term monitoring of the TeV emission from blazars. M@TE has a similar design to the First G‐APD Cherenkov Telescope (FACT), featuring higher photon detection efficiency SiPM sensors and mechanical and electronics upgrades. In this work, simulations are used to assess M@TE's performance. FACT's simulation software was adapted to take into account M@TE's new features. This work presents the simulations as well as results on M@TE's angular resolution and energy reconstruction.
Community‐based postural control assessment in autistic individuals indicates a similar but delayed trajectory compared to neurotypical individuals
Authors: Fears Nicholas E. , Sherrod Gabriela M.c , Templin Tylan N. , Bugnariu Nicoleta L. , Patterson Rita M. , Miller Haylie L. 
Published: January 2023

AbstractAutistic individuals exhibit significant sensorimotor differences. Postural stability and control are foundational motor skills for successfully performing many activities of daily living. In neurotypical development, postural stability and control develop throughout childhood and adolescence. In autistic development, previous studies have focused primarily on individual age groups (e.g., childhood, adolescence, adulthood) or only controlled for age using age‐matching. Here, we examined the age trajectories of postural stability and control in autism from childhood through adolescents using standardized clinical assessments. In study 1, we tested the postural stability of autistic (n = 27) and neurotypical (n = 41) children, adolescents, and young adults aged 7–20 years during quiet standing on a force plate in three visual conditions: eyes open (EO), eyes closed (EC), and eyes open with the head in a translucent dome (Dome). Postural sway variability decreased as age increased for both groups, but autistic participants showed greater variability than neurotypical participants across age. In study 2, we tested autistic (n = 21) and neurotypical (n = 32) children and adolescents aged 7–16 years during a dynamic postural control task with nine targets. Postural control efficiency increased as age increased for both groups, but autistic participants were less efficient compared to neurotypical participants across age. Together, these results indicate that autistic individuals have a similar age trajectory for postural stability and control compared to neurotypical individuals, but have lower postural stability and control overall.
Advisory or monitoring role in ESG scenario: Which women directors are more influential in the Italian context?
Authors: Cambrea Domenico Rocco , Paolone Francesco , Cucari Nicola 
Published: January 2023

AbstractBoard composition has received increasingly more attention from scholars as an important determinant of environmental, social and governance (ESG) performance. Two factors of board composition receive attention as they strongly relate to sustainability issues: gender diversity and board independence. The aim of this study is to test whether the presence of a critical mass of women in boardrooms correlates with firm ESG performance. In addition, we aim to study whether women receiving appointment as executive rather than nonexecutive directors may positively influence ESG performance. Using a sample of Italian companies listed on the Mercato Telematico Azionario during 2003–2019, the empirical results show that a critical mass of at least three female directors is necessary to improve ESG performance and that executive women directors represent a crucial component of board mechanisms, in terms of aligning the needs of stakeholders, since they increase ESG performance. Because the advising and monitoring functions impact firm value, we support the idea that female directors in strategic positions in the boardroom may benefit ESG performance. Thus, we support the idea of increasing women's presence on corporate boards and across executive leadership as a measure and a signal of how firms can respond to ESG challenges.
Usefulness of on‐site cytology of liver tumor biopsy in specimen sampling for cancer genomic profiling test
Authors: Nakabori Tasuku , Abe Yutaro , Higashi Sena , Mukai Kaori , Yoshioka Risa , Morimoto Yuki , Koyanagi Yuki , Tanada Satoshi , Nagata Shigenori , Honma Keiichiro , Ohkawa Kazuyoshi 
Published: January 2023

AbstractAimAppropriate sample selection with a tumor fraction ≥20% without necrosis contamination is required for successful cancer genomic profiling (CGP). Rapid on‐site evaluation (ROSE) is performed to assess adequate sampling.MethodThis retrospective study included 54 patients who underwent CGP using liver tumor biopsy specimen with ROSE.ResultThe sampling success rate (98.1%) was higher than the previously reported 77.5%–88.9%. ROSE was performed once in 51 patients and twice in three patients; for those undergoing ROSE twice, the first ROSE was negative for malignancy, or showed few tumor cells with necrotic cell contamination, while the second ROSE obtained from another location showed abundant malignant cells. In these patients, the CGP was successful using the second specimen, though the first sample did not meet the required criteria for CGP test.ConclusionPerforming ROSE during liver tumor biopsy may be useful for CGP test sampling because ROSE prevents sampling errors and contributes to adequate sampling.
Survival benefit stratification of partial nephrectomy versus non‐surgical treatment in elderly patients with T1a renal cell carcinoma
Authors: Tang Yaxiong , Wu Kan , Hu Xu , Liu Yang , Yang Weixiao , Li Xiang 
Published: January 2023

AbstractBackgroundRenal cell carcinoma (RCC) of stage T1a has been proven to be of low‐grade malignancy and mostly affects elderly individuals with relatively limited life expectancy. However, research on the survival benefit of surgery relative to non‐surgical treatment (NST) is limited. The aim of the study was to investigate the survival difference between partial nephrectomy (PN) and NST and to establish a benefit stratification model for elderly patients (≥70 years) diagnosed with T1a RCC.Patients and MethodsPatients diagnosed with non‐metastatic T1a RCC who received PN or NST were identified from the SEER database during 2004–2015. Before survival analysis, propensity score matching (PSM) was performed. Overall survival (OS) was estimated by the Kaplan–Meier method, and subgroup analyses were used to identify favorable factors of PN. Independent factors of survival were recognized by multivariate Cox regression analysis.ResultsPatients diagnosed with non‐metastatic T1a RCC who received PN or NST were identified from the SEER database during 2004–2015. Before survival analysis, propensity score matching (PSM) was performed. Overall survival (OS) was estimated by the Kaplan–Meier method, and subgroup analyses were used to identify favorable factors of PN. Independent factors of survival were recognized by multivariate Cox regression analysis.ConclusionsOur findings suggest that the survival benefit of PN could be stratified based on the clinical characteristics in patients with stage T1a RCC aged 70 years or older, which may help physicians and patients optimize clinical decisions.
Medicaid expansions and differences in guideline‐adherent cervical cancer screening between American Indian and White women
Authors: Gartner Danielle R. , Islam Jessica Y. , Margerison Claire E. 
Published: January 2023

AbstractBackgroundAlthough preventable through screening, cervical cancer incidence and mortality are higher among American Indian and Alaska Native women (AIAN) than White women. The Patient Protection and Affordable Care Act's (ACA) Medicaid expansions may uniquely impact access and use of cervical cancer screening among AIAN women and ultimately alleviate this disparity.MethodsUsing Medicaid eligible AIAN (N = 4681) and White (N = 57,661) women aged 18–64 years from the 2010–2020 Behavioral Risk Factor Surveillance System, we implemented difference‐in‐differences regression to estimate the association between the Medicaid expansions and guideline‐adherent cervical cancer screening and health care coverage.ResultsThe Medicaid expansions were not associated with guideline‐adherent cervical cancer screening (AIAN: −1 percentage point [ppt] [95% confidence interval, CI: −4, 2 ppts]; White: 3 ppts [95% CI: −0, 6 ppts]), but were associated with a 2 ppt increase (95% CI: 0, 4 ppt) in having had a pap test in the last 5 years among White women. The Medicaid expansions were also associated with increases in having a health plan (AIAN: 5 ppts [95% CI: 1, 9]; White: 11 ppts [95% CI: 7, 15]) and decreases in avoiding medical care due to costs (AIAN: −8 ppts [95% CI: −13, −2]; White: −6 ppts [95% CI: −9, −4]).ConclusionsWhile we observed improvements in health care coverage, we did not observe changes to guideline‐adherent cervical cancer screening following the ACA's Medicaid expansions. Given the disproportionate burden of cervical cancer among AIAN women, identifying ways to improve cervical cancer screening uptake and delivery should be prioritized to reduce preventable deaths.
Discovery of Novel 3,11‐Bispeptide Ester Arenobufagin Derivatives with Potential in Vivo Antitumor Activity and Reduced Cardiotoxicity
Authors: Tang Wenmin , Zhang Yanming , Yang Keli , Ma Jianjiang , Dong Lian , Wu Chen , Lv Rongxue , Wang Chuanhao , Luo Chuan , Zhang Huojun , Miao Zhenyuan , Wu Yuelin 
Published: January 2023

AbstractArenobufagin, one of the bufadienolides isolated from traditional Chinese medicine Chan'su, exhibits potent antitumor activity. However, serious toxicity and small therapeutic window limits its drug development. In the present study, to our knowledge, novel 3,11‐bispeptide ester arenobufagin derivatives have been firstly designed and synthesized on the base of our previous discovery of active 3‐monopeptide ester derivative. The in vitro antiproliferative activity evaluation revealed that the moiety at C3 and C11 hydroxy had an important influence on cytotoxic activity and selectivity. Compound ZM350 notably inhibited tumor growth by 58.8 % at a dose 10 mg/kg in an A549 nude mice xenograft model. Therefore, compound ZM350 also presented a concentration‐dependent apoptosis induction and low inhibitory effect against both hERG potassium channel and Cav1.2 calcium channel. Our study suggests that novel 3,11‐bispeptide ester derivatives will be a potential benefit to further antitumor agent development of arenobufagin.
Percent body fat, but not body mass index, is associated with cardiometabolic risk factors in children and adolescents
Authors: He Xin , Zhu Zhenni , Zang Jiajie , Wang Zhengyuan , Liao Ping , Wang Wenjing , Shi Yan , Fu Chen 
Published: January 2023

AbstractBackgroundThe epidemic of overweight and obesity has become a worldwide public health problem. Cardiometabolic diseases may originate in childhood. We investigated the association between percent body fat (PBF) measured by the bioelectrical impedance assay and cardiometabolic risk (CMR) in pediatrics.MethodsThis cross‐sectional study involved 3819 subjects (6–17 years old) in Shanghai. We assessed the association between PBF and body mass index (BMI) with multiple CMR factors. We examined the risk for cardiometabolic abnormalities attributable to overweight and obesity based on age‐ and sex‐specific PBF Z‐scores and BMI Z‐scores, respectively.ResultsPBF, but not BMI, was positively associated with multiple CMR factors in males and females except for total cholesterol in females (all p < 0.05). Compared with the non‐overweight group based on PBF, overweight and obese subjects had increasingly higher odds ratio of dyslipidemia (2.90 (1.99–4.23), 4.59 (2.88–7.32) for males and 1.82 (1.20–2.75), 2.46 (1.47–4.11) for females) and elevated blood pressure (BP) (3.26 (2.35–4.51), 4.55 (2.92–7.09) for males and 1.59 (1.07–2.34), 3.98 (2.27–6.17) for females). Obesity females showed a higher likelihood for hyperglycemia (2.19 (1.24–3.84)) than non‐overweight females. In both sexes, the predictive effect of PBF on dyslipidemia and elevated BP in adolescents was better than that in children. For hyperglycemia, the predictive effect of PBF was better in male adolescents and female children. There was no risk difference for cardiometabolic abnormalities attributable to BMI‐based obesity categories.ConclusionsPBF but not BMI was associated with CMR. Overweight and obesity categories based on PBF had an increased risk for cardiometabolic abnormalities in children and adolescents.
Direct 0D‐3D coupling of a lattice Boltzmann methodology for fluid–structure aortic flow simulations
Authors: Wei Heng , Amlani Faisal , Pahlevan Niema M. 
Published: January 2023

AbstractThis work introduces a numerical approach and implementation for the direct coupling of arbitrary complex ordinary differential equation‐ (ODE‐)governed zero‐dimensional (0D) boundary conditions to three‐dimensional (3D) lattice Boltzmann‐based fluid–structure systems for hemodynamics studies. In particular, a most complex configuration is treated by considering a dynamic left ventricle‐ (LV‐)elastance heart model which is governed by (and applied as) a nonlinear, non‐stationary hybrid ODE‐Dirichlet system. Other ODE‐based boundary conditions, such as lumped parameter Windkessel models for truncated vasculature, are also considered. Performance studies of the complete 0D‐3D solver, including its treatment of the lattice Boltzmann fluid equations and elastodynamics equations as well as their interactions, is conducted through a variety of benchmark and convergence studies that demonstrate the ability of the coupled 0D‐3D methodology in generating physiological pressure and flow waveforms—ultimately enabling the exploration of various physical and physiological parameters for hemodynamics studies of the coupled LV‐arterial system. The methods proposed in this paper can be easily applied to other ODE‐based boundary conditions as well as to other fluid problems that are modeled by 3D lattice Boltzmann equations and that require direct coupling of dynamic 0D boundary conditions.
Internet of things based smart application for rice leaf disease classification using optimization integrated deep maxout network
Authors: Shanmugam Vimala , Madhusudhana Rao Telu Venkata , Rao Hanumantu Joga , Maram Balajee 
Published: January 2023

SummaryRice is the major crop in India. Early prevention and timely identification of plant leaf diseases are important for increasing production. Hence, an effective sunflower earthworm algorithm and student psychology based optimization (SEWA‐SPBO) based deep maxout network is developed to classify different types of diseases in rice plant leaf. The SEWA is the combination of sunflower optimization (SFO) and earthworm algorithm (EWA). Initially, the network nodes simulated in the environment capture the plant leaf images and are routed to the sink node for disease classification. After receiving the plant images at the sink node, the image is preprocessed using a Gaussian filter. Next to preprocessing, segmentation using the black hole entropic fuzzy clustering (BHEFC) mechanism is performed. Then, data augmentation is applied to segmented image results and disease classification is done by a deep maxout network. The training of the deep maxout network is done using the proposed SEWA‐SPBO algorithm. The proposed method detects the leaf disease more accurately with limited time and shows higher accuracy. Moreover, the proposed method attains higher performance with metrics, like accuracy, sensitivity, and specificity as 93.626%, 94.626%, and 90.431%, respectively.
Approximate execution and grouping of critical sections for performance‐accuracy tradeoff
Authors: Altuntaş Zuhal , Arslan Sanem , Boz Betul 
Published: January 2023

SummaryApproximate computing enhances the performance and energy efficiency of applications, while still achieving acceptable accuracy. Some of the multithreaded applications can tolerate the accuracy loss when critical sections are approximately executed, which in turn will eliminate the synchronization overhead of these applications and increase their performance. In this study, our objective is to explore the behavior of the critical sections and selectively skip the ones yielding performance improvements with an acceptable accuracy loss. We have observed the behavior of 62 critical sections of 4 selected applications. We have grouped them depending on their effects on program execution and skipped or approximated them accordingly. Our experimental study indicates that skipping 76% of the critical sections offers 2.5 performance gain with 16% accuracy loss for Raytrace whereas 1.4 performance improvement with 17% accuracy loss is obtained for Radiosity on average when 36% of the critical sections are skipped. For Water_NSquared the performance gain is 1.1 with 9% accuracy loss on average with 79% of critical sections skipped. For the Ocean_CP application we see a performance improvement of 1.6 with accuracy loss 1% when we skip 38% of critical sections.
Interphase Engineering for Stabilizing Ni‐Rich Cathode in Lithium‐Ion Batteries by a Nucleophilic Reaction‐Based Additive
Authors: Zheng Wei‐Chen , Huang Zheng , Shi Chen‐Guang , Deng Yaping , Wen Zi‐Hao , Li Zhen , Chen Hui , Chen Zhongwei , Huang Ling , Sun Shi‐Gang 
Published: January 2023

AbstractNi‐rich cathode materials are considered promising candidates for next‐generation lithium‐ion batteries because of their high energy density and low cost. However, interphase failure at the surface of Ni‐rich cathodes negatively impacts cycling performance, making it challenging to meet the requirements of long‐term applications. In this study, a strategy is developed to improve interphase properties through introduction of a nucleophilic reaction‐based additive, using an appropriate amount of the inducer lithium isopropoxide (LIP) in the commercial electrolyte to achieve long‐term cycling stability of Li||LiNi0.83Co0.11Mn0.06O2 (NCM83) cells. This strategy enables Li||NCM83 cells to maintain a capacity of 148.7 mAh g−1 with a retention of 83.3 % even after 500 cycles. This outstanding cycling stability is attributed to a robust cathode‐electrolyte interphase (CEI) constructed on NCM83 surface LIP‐induce ring‐opening polymerization of ethylene carbonate (EC). As a result, the organic‐inorganic components of the CEI effectively constrain gas evolution and the corresponding phase transformation behavior. Furthermore, the CEI also suppresses microcrack formation and eventually sustains the Ni valence and coordination environment at high voltage.
Establishing connectivity patterns of eastern oysters (Crassostrea virginica) on regional oceanographic scales
Authors: Powers Sean P. , Roman Henry , Meixner Jessica , Wirasaet Damrongsak , Brus Steven , Fricano Gail , Westerink Joannes 
Published: January 2023

AbstractLocalized depletion of marine and estuarine populations often results from large‐scale natural and anthropogenic disturbances (e.g., hurricanes, oil spills) as well as overharvest of fisheries resources. Understanding how such localized depletions may affect populations at larger regional scales requires knowledge of connectivity among local populations within the larger regional landscape or metapopulation. Efforts to restore populations following such decreases require similar knowledge. During the 2010 Deepwater Horizon oil spill, dramatic declines of oysters occurred throughout estuaries west and east of the Mississippi River. We examined trajectories of particles, which were parameterized to mimic oyster larvae, using the ADvanced CIRCulation (ADCIRC; https://adcirc.org) model to evaluate potential connectivity within and among embayments from Western Louisiana to Alabama. Patterns of larval settlement, which we defined as the intersection of a larval particle with known or expected oyster habitat at any point 13–21 days post‐release, reflected much greater local contributions, with 50%–90% of settled particles originating within the same subdivision of embayments. Exchange among subdivision was much less (0%–40%) and settlement originating from outside the embayment of release was trivial under most scenarios (0%–14%). Connectivity between adjacent basins was greatest for larvae released in the southern portions of the embayment, whereas connectivity among nonadjacent basins was not predicted under the scenarios modeled. Because most local populations are relatively isolated on ecological timescales, areas suffering from extensive local depletion are likely to require extensive time to recover due to the lack of larval subsidy from the overall regional population. Restoration would require building stepping‐stone populations or reefs within and among basin to restore a high degree of connectivity.
Large shifts of niche and range in the golden apple snail (Pomacea canaliculata), an aquatic invasive species
Authors: Yang Rujing , Cao Runyao , Gong Xiang , Feng Jianmeng 
Published: January 2023

AbstractNiche and range shifts of invasive species are essential in assessing the risk of biological invasions and developing ecological niches and species distribution theories. Studies on invasive aquatic species' niche and range shifts have important implications for conserving aquatic invasive ecosystems. Here we used niche and range dynamic models to explore niche and range shifts of the golden apple snail Pomacea canaliculata, one of the world's most invasive aquatic species. The major factors responsible for P. canaliculata niche shifts in native and invaded regions were minimum temperature of the coldest month and precipitation in the warmest quarter. The niche and range of invasive P. canaliculata snails were not conserved relative to their native counterparts and had a broader niche and larger range, which are consistent with the findings that invasive P. canaliculata snails could survive in colder, hotter, drier, and wetter climates. Given that niche nonconservatism could result in range nonconservatism and small increases in niche breadth could induce large range expansions, niche shifts might provide a more sensitive indicator of invasion risk than range shifts. In contrast to most invasive species that show conservatism of their native niches, we observed high niche lability between the P. canaliculata snails in the native and invaded regions. Our findings indicate that the golden apple snail is a high‐risk invasive aquatic species for its ability to aggressively proliferate through its rapid reproduction rate, fast growth as suggested by previous studies, and also for its highly labile niches and ranges, which facilitates adaptation to the climate of the introduced regions.