bluuebunny/crossref_metadata_2025_split huggingface dataset:
In-plane and out-of-plane excitonic coupling in 2D molecular crystals
Authors: Kim Dogyeong , Lee Sol , Park Jiwon , Lee Jinho , Choi Hee Cheul , Kim Kwanpyo , Ryu Sunmin 
Published: May 2023

AbstractUnderstanding the nature of molecular excitons in low-dimensional molecular solids is of paramount importance in fundamental photophysics and various applications such as energy harvesting, switching electronics and display devices. Despite this, the spatial evolution of molecular excitons and their transition dipoles have not been captured in the precision of molecular length scales. Here we show in-plane and out-of-plane excitonic evolution in quasilayered two-dimensional (2D) perylene-3, 4, 9, 10-tetracarboxylic dianhydride (PTCDA) crystals assembly-grown on hexagonal boron nitride (hBN) crystals. Complete lattice constants with orientations of two herringbone-configured basis molecules are determined with polarization-resolved spectroscopy and electron diffraction methods. In the truly 2D limit of single layers, two Frenkel emissions Davydov-split by Kasha-type intralayer coupling exhibit energy inversion with decreasing temperature, which enhances excitonic coherence. As the thickness increases, the transition dipole moments of newly emerging charge transfer excitons are reoriented because of mixing with the Frenkel states. The current spatial anatomy of 2D molecular excitons will inspire a deeper understanding and groundbreaking applications of low-dimensional molecular systems.
Direct synthesis of oxalic acid via oxidative CO coupling mediated by a dinuclear hydroxycarbonylcobalt(III) complex
Authors: Xu Yingzhuang , Li Songyi , Fang Huayi 
Published: May 2023

AbstractOxidative coupling of CO is a straightforward and economic benign synthetic route for value-addedα-diketone moiety containing C2or higher carbon compounds in both laboratory and industry, but is still undeveloped to date. In this work, a rare coplanar dinuclear hydroxycarbonylcobalt(III) complex, bearing a Schiff-base macrocyclic equatorial ligand and aμ-κ1(O):κ1(O’)-acetate bridging axial ligand, is synthesized and characterized. The Co(III)-COOH bonds in this complex can be feasibly photocleaved, leading to the formation of oxalic acid. Moreover, the light-promoted catalytic direct production of oxalic acid from CO and H2O using O2as the oxidant with good selectivity (> 95%) and atom economy at ambient temperature and gas pressure based on this dicobalt(III) complex have been achieved, with a turnover number of 38.5. The13C-labelling and18O-labelling experiments confirm that CO and H2O act as the sources of the -COOH groups in the dinuclear hydroxycarbonylcobalt(III) complex and the oxalic acid product.
Viability of internal comparisons for epidemiological research in the US astronaut corps
Authors: Reynolds Robert J. , Day Steven M. , Kanikkannan Lakshmi 
Published: May 2023

AbstractThis study aims to determine whether astronauts who have not flown in space can provide an unbiased comparison to astronauts who have flown in space when analyzing long-term health outcomes such as incidence of chronic disease and mortality. Various propensity score methods failed to achieve good balance between groups, demonstrating that even with sophisticated rebalancing methods the group of non-flight astronauts cannot be demonstrated to be an unbiased comparison group for examining the effect of the hazards of spaceflight on incidence and mortality from chronic diseases.
Electricity supply quality and use among rural and peri-urban households and small firms in Nigeria
Authors: Pelz Setu , Chinichian Narges , Neyrand Clara , Blechinger Philipp 
Published: May 2023

AbstractWe present a household and enterprise energy survey dataset collected within the framework of the PeopleSuN project in Nigeria in 2021. Across three Nigerian geopolitical zones, a total of 3,599 households and 1,122 small and medium-sized enterprises were surveyed. The sample is designed to be representative of rural and peri-urban grid-electrified regions of each zone. Our surveys collect data on demographic and socioeconomic characteristics, energy access and supply quality, electrical appliance ownership and usage time, cooking solutions, energy related capabilities, and supply preferences. We encourage academic use of the data presented and suggest three avenues of further research: (1) modelling appliance ownership likelihoods, electricity consumption levels and energy service needs in un-electrified regions; (2) identifying supply-side and demand-side solutions to address high usage of diesel generators; (3) exploring broader issues of multi-dimensional energy access, access to decent living standards and climate vulnerability.
The association between body mass index, abdominal fatness, and weight change and the risk of adult asthma: a systematic review and meta-analysis of cohort studies
Authors: Parasuaraman Ganeshkumar , Ayyasamy Lavanya , Aune Dagfinn , Sen Abhijit , Nagarajan Ramya , Rajkumar Prabhu , Velusamy Saravanakumar , Manickam P. , Sivaprakasam Satish 
Published: May 2023

AbstractObesity has been associated with increased risk of adult asthma, however, not all studies have found a clear association between overweight and the incidence of asthma, and data on other adiposity measures have been limited. Hence, we aimed to summarize evidence on association between adiposity and adult asthma. Relevant studies were retrieved through searches conducted in PubMed, and EMBASE up to March 2021. A total of sixteen studies (63,952 cases and 1,161,169 participants) were included in the quantitative synthesis. The summary RR was 1.32 (95% CI 1.21–1.44, I2 = 94.6%, pheterogeneity < 0.0001, n = 13) per 5 kg/m2 increase in BMI, 1.26 (95% CI 1.09–1.46, I2 = 88.6%, pheterogeneity < 0.0001, n = 5) per 10 cm increase in waist circumference and 1.33 (95% CI 1.22–1.44, I2 = 62.3%, pheterogeneity= 0.05, n = 4) per 10 kg increase in weight gain. Although the test for nonlinearity was significant for BMI (pnonlinearity < 0.00001), weight change (pnonlinearity = 0.002), and waist circumference (pnonlinearity = 0.02), there was a clear dose-response relationship between higher levels of adiposity and asthma risk. The magnitude of the associations and the consistency of the results across studies and adiposity measures provide strong evidence that overweight and obesity, waist circumference and weight gain increases asthma risk. These findings support policies to curb the global epidemic of overweight and obesity.
Non-destructive collection and metabarcoding of arthropod environmental DNA remained on a terrestrial plant
Authors: Yoneya Kinuyo , Ushio Masayuki , Miki Takeshi 
Published: May 2023

AbstractReliable survey of arthropods is a crucial for their conservation, community ecology, and pest control on terrestrial plants. However, efficient and comprehensive surveys are hindered by challenges in collecting arthropods and identifying especially small species. To address this issue, we developed a non-destructive environmental DNA (eDNA) collection method termed “plant flow collection” to apply eDNA metabarcoding to terrestrial arthropods. This involves spraying distilled or tap water, or using rainfall, which eventually flows over the surface of the plant, and is collected in a container that is set at the plant base. DNA is extracted from collected water and a DNA barcode region of cytochrome c oxidase subunit I (COI) gene is amplified and sequenced using a high-throughput Illumina Miseq platform. We identified more than 64 taxonomic groups of arthropods at the family level, of which 7 were visually observed or artificially introduced species, whereas the other 57 groups of arthropods, including 22 species, were not observed in the visual survey. These results show that the developed method is possible to detect the arthropod eDNA remained on plants although our sample size was small and the sequence size was unevenly distributed among the three water types tested.
Design, synthesis and anticancer activities evaluation of novel pyrazole modified catalpol derivatives
Authors: Kong Yuanfang , Liu Shuanglin , Wang Shaopei , Yang Bin , He Wei , Li Hehe , Yang Siqi , Wang Guoqing , Dong Chunhong 
Published: May 2023

AbstractCatalpol, a natural product mainly existed in plenty of Chinese traditional medicines, is an iridoid compound with the comprehensive effects on neuroprotective, anti-inflammatory, choleretic, hypoglycemic and anticancer. However, there are some disadvantages for catalpol such as a short half-life in vivo, low druggability, stingy binding efficiency to target proteins and so on. It is necessary to make structural modification and optimization which enhance its performance on disease treatments and clinic applications. Pyrazole compounds have been reported to have excellent anticancer activities. Based on the previous research foundation of our research group on iridoids and the anticancer activities of catalpol and pyrazole, a series of pyrazole modified catalpol compounds were synthesized by principle of drug combination for serving as potential cancer inhibitors. These derivatives are characterized by 1H NMR, 13C NMR and HRMS. The efficacy of anti-esophageal cancer and anti-pancreatic cancer activities were evaluated by the MTT assay on two esophageal cancer cells Eca-109 and EC-9706, and two pancreatic cancer cells PANC-1, BxPC-3 and normal pancreatic cell line HPDE6-C7, which showed that the compound 3e had strong inhibitory activity against esophageal cancer cells, this providing a theoretical basis for the discovery of catalpol-containing drugs.
Pharmacologic inhibition of HNF4α prevents parenteral nutrition associated cholestasis in mice
Authors: Ghosh Swati , Devereaux Michael W. , Orlicky David J. , Sokol Ronald J. 
Published: May 2023

AbstractProlonged parenteral nutrition (PN) can lead to PN associated cholestasis (PNAC). Intestinally derived lipopolysaccharides and infused PN phytosterols lead to activation of NFκB, a key factor in PNAC. Our objective was to determine if inhibition of HNF4α could interfere with NFκB to alleviate murine PNAC. We showed that HNF4α antagonist BI6015 (20 mg/kg/day) in DSS-PN (oral DSS x4d followed by Total PN x14d) mice prevented the increased AST, ALT, bilirubin and bile acids and reversed mRNA suppression of hepatocyte Abcg5/8, Abcb11, FXR, SHP and MRP2 that were present during PNAC. Further, NFκB phosphorylation in hepatocytes and its binding to LRH-1 and BSEP promoters in liver, which are upregulated in DSS-PN mice, were inhibited by BI6015 treatment. BI6015 also prevented the upregulation in liver macrophages of Adgre1 (F4/80) and Itgam (CD11B) that occurs in DSS-PN mice, with concomitant induction of anti-inflammatory genes (Klf2, Klf4, Clec7a1, Retnla). In conclusion, HNF4α antagonism attenuates PNAC by suppressing NFκB activation and signaling while inducing hepatocyte FXR and LRH-1 and their downstream bile and sterol transporters. These data identify HNF4α antagonism as a potential therapeutic target for prevention and treatment of PNAC.
Modular architecture and resilience of structural covariance networks in first-episode antipsychotic-naive psychoses
Authors: Lewis Madison , Santini Tales , Theis Nicholas , Muldoon Brendan , Dash Katherine , Rubin Jonathan , Keshavan Matcheri , Prasad Konasale 
Published: May 2023

AbstractStructural covariance network (SCN) studies on first-episode antipsychotic-naïve psychosis (FEAP) have examined less granular parcellations on one morphometric feature reporting lower network resilience among other findings. We examined SCNs of volume, cortical thickness, and surface area using the Human Connectome Project atlas-based parcellation (n = 358 regions) from 79 FEAP and 68 controls to comprehensively characterize the networks using a descriptive and perturbational network neuroscience approach. Using graph theoretical methods, we examined network integration, segregation, centrality, community structure, and hub distribution across the small-worldness threshold range and correlated them with psychopathology severity. We used simulated nodal “attacks” (removal of nodes and all their edges) to investigate network resilience, calculated DeltaCon similarity scores, and contrasted the removed nodes to characterize the impact of simulated attacks. Compared to controls, FEAP SCN showed higher betweenness centrality (BC) and lower degree in all three morphometric features and disintegrated with fewer attacks with no change in global efficiency. SCNs showed higher similarity score at the first point of disintegration with ≈ 54% top-ranked BC nodes attacked. FEAP communities consisted of fewer prefrontal, auditory and visual regions. Lower BC, and higher clustering and degree, were associated with greater positive and negative symptom severity. Negative symptoms required twice the changes in these metrics. Globally sparse but locally dense network with more nodes of higher centrality in FEAP could result in higher communication cost compared to controls. FEAP network disintegration with fewer attacks suggests lower resilience without impacting efficiency. Greater network disarray underlying negative symptom severity possibly explains the therapeutic challenge.
Quantifying the grapevine xylem embolism resistance spectrum to identify varieties and regions at risk in a future dry climate
Authors: Lamarque Laurent J. , Delmas Chloé E. L. , Charrier Guillaume , Burlett Régis , Dell’Acqua Ninon , Pouzoulet Jérôme , Gambetta Gregory A. , Delzon Sylvain 
Published: May 2023

AbstractMaintaining wine production under global warming partly relies on optimizing the choice of plant material for a given viticultural region and developing drought-resistant cultivars. However, progress in these directions is hampered by the lack of understanding of differences in drought resistance among Vitis genotypes. We investigated patterns of xylem embolism vulnerability within and among 30 Vitis species and sub-species (varieties) from different locations and climates, and assessed the risk of drought vulnerability in 329 viticultural regions worldwide. Within a variety, vulnerability to embolism decreased during summer. Among varieties, we have found wide variations in drought resistance of the vascular system in grapevines. This is particularly the case within Vitis vinifera, with varieties distributed across four clusters of embolism vulnerability. Ugni blanc and Chardonnay featured among the most vulnerable, while Pinot noir, Merlot and Cabernet Sauvignon ranked among the most resistant. Regions possibly at greater risk of being vulnerable to drought, such as Poitou–Charentes, France and Marlborough, New Zealand, do not necessarily have arid climates, but rather bear a significant proportion of vulnerable varieties. We demonstrate that grapevine varieties may not respond equally to warmer and drier conditions, and highlight that hydraulic traits are key to improve viticulture suitability under climate change.
The quantitative investigation of spark plasma on skin parameters with skin elasticity, thickness, density, and biometric characteristics
Authors: Ghasemi Erfan , Nilforoushzadeh Mohammad Ali , Khani Mohammadreza , Amirkhani Mohammad Amir , Nouri Maryam , Charipoor Parisa , Eftekhari Mohammad , Izadpanah Samira , Shokri Babak 
Published: May 2023

AbstractCold atmospheric plasma has been developed and utilized as a novel technique for skin rejuvenation because of its various effects on cells and living things. This study investigated the accuracy of this claim and any possible side effects of using spark plasma to rejuvenate skin. The present work is the first quantitative investigation using animal models. 12 Wistar rats were divided into two groups for this investigation. To compare the skin's natural process with the treated skin, the first group underwent a single session of plasma therapy, while the second group served as the control group. The back of the necks of the samples was shaved for 20 cm. Before beginning treatment, the MPA9 multifunctional skin tester was used to determine the melanin index, erythema index, and transepidermal water loss (TEWL). The skin's thickness and density were assessed using sonography, and its elasticity index was calculated using a Cutometer. The samples were exposed to plasma radiation in the designated area (in a triangular pattern). The abovementioned signs were examined immediately after the following therapy and at the weekly appointment 2–4 weeks later. Optical spectroscopy was also used to demonstrate the presence of active species. In this study, we found that a plasma spark therapy session significantly boosts skin elasticity, and the ultrasound results revealed a significantly increased skin thickness and density. The plasma increased the amount of skin surface evaporation, erythema, and melanin immediately following the treatment. However, 4 weeks later, it recovered to its former state and did not differ significantly from before the therapy.
Quantum AI simulator using a hybrid CPU–FPGA approach
Authors: Suzuki Teppei , Miyazaki Tsubasa , Inaritai Toshiki , Otsuka Takahiro 
Published: May 2023

AbstractThe quantum kernel method has attracted considerable attention in the field of quantum machine learning. However, exploring the applicability of quantum kernels in more realistic settings has been hindered by the number of physical qubits current noisy quantum computers have, thereby limiting the number of features encoded for quantum kernels. Hence, there is a need for an efficient, application-specific simulator for quantum computing by using classical technology. Here we focus on quantum kernels empirically designed for image classification and demonstrate a field programmable gate arrays (FPGA) implementation. We show that the quantum kernel estimation by our heterogeneous CPU–FPGA computing is 470 times faster than that by a conventional CPU implementation. The co-design of our application-specific quantum kernel and its efficient FPGA implementation enabled us to perform one of the largest numerical simulations of a gate-based quantum kernel in terms of features, up to 780-dimensional features. We apply our quantum kernel to classification tasks using the Fashion-MNIST dataset and show that our quantum kernel is comparable to Gaussian kernels with the optimized hyperparameter.
Radiation shielding performance of metal oxides/EPDM rubber composites using Geant4 simulation and computational study
Authors: Alabsy Mahmoud T. , Elzaher Mohamed Abd 
Published: May 2023

AbstractThis paper aimed to evaluate the shielding performance of ethylene propylene diene monomer (EPDM) rubber composites filled with 200 phr of different metal oxides (either Al2O3, CuO, CdO, Gd2O3, or Bi2O3) as protective materials against gamma and neutron radiations. For this purpose, different shielding parameters, including the linear attenuation coefficient (μ), mass attenuation coefficient (μ/ρ), mean free path (MFP), half value layer (HVL), and tenth value layer (TVL), were calculated in the energy range between 0.015 and 15 MeV by using the Geant4 Monte Carlo simulation toolkit. The simulated μ/ρ values were validated by the XCOM software to examine the precision of the simulated results. The maximum relative deviation between the Geant4 simulation and XCOM was not greater than 1.41%, confirming the accuracy of the simulated results. Based on μ/ρ values, other significant shielding parameters such as effective atomic number (Zeff), effective electron density (Neff), equivalent atomic number (Zeq), and exposure buildup factor (EBF) were also computed to explore the potential usage of the proposed metal oxide/EPDM rubber composites as radiation protective materials. The study demonstrates that the gamma-radiation shielding performance of the proposed metal oxide/EPDM rubber composites are increasing in the order of EPDM < Al2O3/EPDM < CuO/EPDM < CdO/EPDM < Gd2O3/EPDM < Bi2O3/EPDM. Furthermore, three sudden increases in the shielding capability in some composites occur at 0.0267 MeV for CdO/EPDM, 0.0502 MeV for Gd2O3/EPDM, and 0.0905 MeV for Bi2O3/EPDM composites. This increase in the shielding performance is due to the K absorption edges of Cd, Gd, and Bi, respectively. Regarding the neutron shielding performance, the macroscopic effective removal cross-section for fast neutrons (ƩR) was evaluated for the investigated composites using MRCsC software. The highest ƩR is obtained for Al2O3/EPDM, while the lowest ƩR is obtained for EPDM rubber with no metal oxide content. According to the obtained results, the investigated metal oxide/EPDM rubber composites can be employed as comfortable clothing and gloves designed for workers in radiation facilities.
Optimizing the input feature sets and machine learning algorithms for reliable and accurate estimation of continuous, cuffless blood pressure
Authors: Kasbekar Rajesh S. , Ji Songbai , Clancy Edward A. , Goel Anita 
Published: May 2023

AbstractThe advent of mobile devices, wearables and digital healthcare has unleashed a demand for accurate, reliable, and non-interventional ways to measure continuous blood pressure (BP). Many consumer products claim to measure BP with a cuffless device, but their lack of accuracy and reliability limit clinical adoption. Here, we demonstrate how multimodal feature datasets, comprising: (i) pulse arrival time (PAT); (ii) pulse wave morphology (PWM), and (iii) demographic data, can be combined with optimized Machine Learning (ML) algorithms to estimate Systolic BP (SBP), Diastolic BP (DBP) and Mean Arterial Pressure (MAP) within a 5 mmHg bias of the gold standard Intra-Arterial BP, well within the acceptable limits of the IEC/ANSI 80601-2-30 (2018) standard. Furthermore, DBP’s calculated using 126 datasets collected from 31 hemodynamically compromised patients had a standard deviation within 8 mmHg, while SBP’s and MAP’s exceeded these limits. Using ANOVA and Levene’s test for error means and standard deviations, we found significant differences in the various ML algorithms but found no significant differences amongst the multimodal feature datasets. Optimized ML algorithms and key multimodal features obtained from larger real-world data (RWD) sets could enable more reliable and accurate estimation of continuous BP in cuffless devices, accelerating wider clinical adoption.
A novel intelligent global harmony search algorithm based on improved search stability strategy
Authors: Wang Jinglin , Ouyang Haibin , Zhang Chunliang , Li Steven , Xiang Jianhua 
Published: May 2023

AbstractHarmony search (HS) is a new swarm intelligent algorithm inspired by the process of music improvisation. Over the past decade, HS algorithm has been applied to many practical engineering problems. However, for some complex practical problems, there are some remaining issues such as premature convergence, low optimization accuracy and slow convergence speed. To address these issues, this paper proposes a novel intelligent global harmony search algorithm based on improved search stability strategy (NIGHS). In the search process, NIGHS uses the adaptive mean of harmony memory library to build a stable trust region around the global best harmony, and proposes a new coupling operation based on linear proportional relation, so that the algorithm can adaptively adjust the ability of exploration and exploitation in the search process and avoid premature convergence. In addition, the dynamic Gauss fine-tuning is adopted in the stable trust region to accelerate the convergence speed and improve the optimization accuracy. The common CEC2017 test functions are employed to test the proposed algorithm, the results show that NIGHS algorithm has a faster convergence speed and better optimization accuracy compared to the HS algorithm and its improved versions.