bluuebunny/crossref_metadata_2025_split huggingface dataset:
TG-GNN: Transformer based Geometric enhancement graph neural network for molecular property prediction
Authors: Zhang Taohong , Guo Xuxu , Chen Hen , Fan Suli , Li Qianqian , Chen Saian , Guo Xueqiang , Zheng Han 
Published: August 2022

Abstract
Molecular properties play a crucial role in material discovery, protein interaction and drug development. The appearance of Graph Neural Network(GNN) significantly improved the performance of molecular property prediction. However, nodes in GNN only update the features of neighbor nodes, resulting in insufficient ability to encode global feature information. The self attention mechanism in transformer encodes the global information of molecules, while its spatial information is insufficient. Since molecules are three-dimensional spatial structures, spatial geometry information is an important attribute of molecules. Therefore, a transformer based geometric enhanced graph neural network (TG-GNN) is proposed to combine global and local molecule information with three-dimensional spatial structures to predict molecular properties. In this network, Graph neural network Geometric Feature Fusion Module (GGFF) and Transformer Geometric Feature Enhancement Module (TGF) are proposed to enhance the spatial geometry learning ability of the network. The GGFF module constructs a parallel graph neural network using bond and bond angle. The introduction of bond angle effectively complements the spatial information of the network. The TGF module introduces the coordinates and centrality degree features into the transformer to enhance the geometric expression ability of the module. GGFF module and TGF module encode local information and global information of molecules at the same time on the QM9 and OMDB dataset.
PHD-finger family genes in wheat (Triticum aestivum L.): evolutionary conservatism, functional diversification, and active expression in abiotic stress
Authors: Pang Fei , Niu Junqi , Liu Zhaoliang , Wang Zhen 
Published: August 2022

Abstract
Plant homeodomain (PHD) transcription factors (TFs) are a class of proteins with conserved Cys4-His-Cys3 domains that play important roles in plant growth and development, and in response to abiotic stresses. Although characterization of PHDs have been performed in plants, little is known about their function in wheat (Triticum aestivum L.), especially under stress conditions. In the present study, 244 TaPHDs were identified in wheat using comparative genomics. We renamed them TaPHD1-244 based on their chromosomal distribution, and almost all PHD proteins were predicted to be located in the nucleus. According to the unrooted neighbor-joining phylogenetic tree, gene structure, and motif analyses, PHD genes were divided into four clades. A total of 149 TaPHD genes were assigned to arise from duplication events. Furthermore, 230 gene pairs came from wheat itself, and 119, 186, 168, 7, 2, and 6 gene pairs came from six other species (Hordeum vulgareto, Zea mays, Oryza sativa, Arabidopsis thaliana, Brassica rapa, and Gossypium raimondii, respectively). A total of 548 interacting protein branches were identified to be involved in the protein interaction network. Tissue-specific expression pattern analysis showed that TaPHDs were highly expressed in the stigma and ovary during flowering, suggesting that the TaPHD gene plays an active role in the reproductive growth of wheat. In addition, the qRT-PCR results further confirmed that these TaPHD genes are involved in the abiotic stress response of wheat. In conclusion, our study provides a theoretical basis for deciphering the molecular functions of TaPHDs, particularly in response to abiotic stress.
How can we strengthen partnership and coordination for health system emergency preparedness and response? Findings from a synthesis of experience across countries facing shocks
Authors: Gooding Kate , Bertone Maria Paola , Loffreda Giulia , Witter Sophie 
Published: August 2022

Abstract
BackgroundDiscussions of health system resilience and emergency management often highlight the importance of coordination and partnership across government and with other stakeholders. However, both coordination and partnership have been identified as areas requiring further research. This paper identifies characteristics and enablers of effective coordination for emergency preparedness and response, drawing on experience from different countries with a range of shocks, including floods, drought, and COVID-19.MethodsThe paper synthesises evidence from a set of reports related to research, evaluation and technical assistance projects, bringing together evidence from 11 countries in Sub-Saharan Africa and South Asia. Methods for the original reports included primary data collection through interviews, focus groups and workshop discussions, analysis of secondary data, and document review. Reports were synthesised using a coding framework, and quality of evidence was considered for reliability of the findings. ResultsThe reports highlighted the role played by coordination and partnership in preparedness and response, and identified four key areas that characterise and enable effective coordination. First, coordination needs to be inclusive, bringing together different government sectors and levels, and stakeholders such as development agencies, universities, the private sector, local leaders and civil society, with equitable gender representation. Second, structural aspects of coordination bodies are important, including availability of coordination structures and regular meeting fora; clear roles, mandates and sufficient authority; the value of building on existing coordination mechanisms; and ongoing functioning of coordination bodies, before and after crises. Third, organisations responsible for coordination require sufficient capacity, including staff, funding, communication infrastructure and other resources, and learning from previous emergencies. Fourth, effective coordination is supported by high-level political leadership and incentives for collaboration. Country experience also highlighted interactions between these components, and with the wider health system and governance architecture, pointing to the need to consider coordination as part of a complex adaptive system.Conclusion COVID-19 and other shocks have highlighted the importance of effective coordination and partnership across government and with other stakeholders. Using county experience, the paper identifies a set of recommendations to strengthen coordination for health system resilience and emergency management.
Abulia major and hypoactive delirium in COVID-19 reversed with methylprednisolone pulse therapy
Authors: Zanella Luiz Gonzaga Francisco de Assis Barros D’Elia , Zanella Luiz Gonzaga Francisco de Assis Barros D’Elia 
Published: August 2022

Abstract
Background: Sars-CoV-2 is a member of the genus Betacoronavirus like the two other coronaviruses viz. SARS-CoV (severe acute respiratory syndrome coronavirus) and MERS-CoV (Middle East respiratory syndrome coronavirus). SARS-CoV-2 infection has been associated with neuropsychiatric manifestations in acute and chronic COVID-19 (long COVID-19 syndrome), resulting in social consequences and worsening people's quality of life. Case description: This article is a scenario of two cases of neurological manifestations resulting from infection by SARS-CoV-2 that were reversed with methylprednisolone in a pulse therapy regimen. The first case presents a young patient with symptoms similar to those existing in patients with Alzheimer's and Parkinson's diseases, whose final and presumable diagnosis was Abulia major. The second case exemplifies an elderly person admitted to the hospital due to hypoactive delirium triggered by a urinary tract infection hypothesis. The final diagnosis was hypoactive delirium secondary to COVID-19, with urinary manifestations from SARS-CoV-2 kidney injury. Discussion/Conclusion: The purpose of this article is to warn about phenomena related to COVID-19, whose treatment can be performed with high doses of corticosteroids and with drugs that act positively on dopaminergic and serotonergic pathways. Patient exams and more information are available in the Appendix of this article.
Neuronal deletion of CaV1.2 is associated with sex-specific behavioral phenotypes in mice
Authors: Klomp Annette J. , Plumb Ashley , Mehr Jacqueline B. , Madencioglu Deniz A. , Wen Hsiang , Williams Aislinn J. 
Published: August 2022

Abstract
The gene CACNA1C, which encodes the L-type calcium channel CaV1.2, is associated with increased risk for neuropsychiatric disorders including schizophrenia, autism spectrum disorder, major depression, and bipolar disorder. Previous rodent work identified that loss or reduction of CaV1.2 results in cognitive, affective, and motor deficits. However, it is unclear if the phenotypes described in these studies result from loss of CaV1.2 from neurons or other central nervous system cell types. Additionally, most of these studies did not evaluate for sex-specific effects or used only male animals. Here, we sought to clarify whether there are sex-specific behavioral consequences of neuron-specific deletion of CaV1.2 (neuronal CaV1.2 cKO). We found that neuronal CaV1.2 cKO mice have normal baseline locomotor function but female cKO mice display impaired motor performance learning. Male neuronal CaV1.2 cKO display impaired startle response with intact pre-pulse inhibition. Male neuronal CaV1.2 cKO mice did not display normal social preference, whereas female neuronal CaV1.2 cKO mice did. In agreement with previous work, neuronal CaV1.2 cKO mice displayed impaired associative learning in both sexes, as well as normal anxiety-like behavior and hedonic capacity. We conclude that deletion of neuronal CaV1.2 alters motor performance, acoustic startle reflex, and social behaviors in a sex-specific manner, while associative learning deficits generalize across sexes. Our data provide evidence for both sex-specific and sex-independent phenotypes related to neuronal expression of CaV1.2.
World's human migration patterns in 2000-2019 unveiled by high-resolution data
Authors: Niva Venla , Horton Alexander , Heino Matias , Kosonen Maria , Kallio Marko , Kinnunen Pekka , Muttarak Raya , Taka Maija , Varis Olli , Virkki Vili , Kummu Matti 
Published: August 2022

Abstract
Despite being a top concern on global agenda, global-scale, high resolution quantification of net-migration and its major drivers, is still missing for recent decades. We created a global dataset of annual net-migration between 2000–2019 (~ 10km grid), based on reported and here-downscaled sub-national birth and death ratios. We show that globally, internal migration has increased rapidly, dominating over international migration. Around 50% of world’s urban population lived in urban areas where migration accelerated urban population growth, while a third of global population lived in provinces where rural areas experienced positive net-migration. Finally, we show that socio-economic factors play a more important role than climatic ones to explain the migration patterns globally. By capturing migration patterns not only between but also within countries, socio-economic and geophysical zonings, our study highlights the importance of sub-national analysis of migration – a necessity for policy design, international cooperation and shared responsibility for managing internal and international migration.
FinTech and CO2 Emission: Evidence from (Top 7) Mobile Money Economies in Africa
Authors: Coffie Cephas Paa Kwasi , Ahiabenu Kwame , Yeboah Frederick Kwame , Darkwah Joseph Asante 
Published: August 2022

Abstract
Financial technology has evolved from a mediation role into an established sub-market within the financial ecosystem, gaining a superior advantage over the traditional financial system. Therefore, to ascertain if this advantage extends to protecting our environment, this study estimates the relationship between financial technology and carbon emission from the top seven (7) mobile money economies in sub-Saharan Africa. A balanced panel dataset from 2009 to 2020 is employed and estimated with the FMOLS estimator after checking for cross-sectional dependence, unit-root, stationarity, and cointegration. Results from the estimation suggest a negatively significant relationship between financial technology and carbon emission in these countries. However, domestic credit to the private sector revealed a statistically insignificant relationship with carbon emission for the same period. Further, foreign direct investment reduces carbon emissions. However, gross domestic product and trade openness increases carbon emission in these countries. Therefore, it is recommended that financial technology developers in the sub-region should consider green financial products and services to ensure cleaner production and a better environment.
The effects of cigarette price incentive and regulatory policies among adults in different sociodemographic groups in Taiwan
Authors: Yang Che-Ning , Lin Yi-Fan 
Published: August 2022

Abstract
IntroductionOur study evaluated the effects of cigarette price increases and non-price–related tobacco control policies on adult smoking behavior in Taiwan, using data from the Adult Smoking Behavior Survey from Taiwan Health Promotion Administration from 2004 to 2015, with 166,325 valid respondents.MethodsWe established logistic regression models for each of the three dependent variables, “smoking,” “quit attempts,” and “cessation maintenance,” to characterize smoking behavior. Socioeconomic and sociodemographic factors were also included in the models. Analytical models used random effects for the time variable, and the region of residence was used as a dummy variable.ResultsOur results showed that non-price tobacco control policies had no significant effects on smoking behavior. Conversely, cigarette price increases were highly associated with changes in smoking behavior. A 1% increase in the price of cigarettes reduced the odds ratio of smoking (ORs) by −1.361% ± 0.114%, increased the OR of quit attempts (ORq) by 0.982% ± 0.129%, and increased the OR of maintaining smoking cessation (ORm) by 5.027% ± 1.758%, with a 95% confidence interval (CI). We also found that: (1) men were generally more sensitive to changes in cigarette prices than women (2) middle-aged adults were not sensitive to changes in cigarette prices; (3) and for those aged >65 years, cigarette price increases prompted quit attempts.ConclusionsThis study showed that antismoking pricing measures made significant effect on smoking behavior. Price-insensitive groups were also identified, such as employed, married, and middle-aged women. Specific selective antismoking measures should be implemented for these groups.
A New Reverse Phase High-Performance Liquid Chromatography (RP- HPLC) Method for Determination of Kinetin Riboside (plant hormone) in Dequalinium Chloride Based Self-Assembled Vesicles: Development, Validation, and Force Degradation Study
Authors: Agnihotri Tejas Girish , Badgujar Devendra , Sharma Nitish , Jain Aakanchha 
Published: August 2022

Abstract
The analytical procedure remains the fundamental part of formulation development in terms of quantification of the drug in the formulation. The purpose of the current study was to develop accurate, sensitive and rapid high performance liquid chromatography (RP-HPLC) method for the quantitation of kinetin riboside (KR) in KR-loaded dequalinium based vesicles, also known as DQAsomes. The chromatographic analysis was performed on C18 column with detection wavelength of 269 nm for KR and 310 nm for dequalinium chloride (DQA). The mobile phase consisted of 0.05 M potassium phosphate buffer and methanol in gradient system. The method was further validated according to the guidelines set by ICH. The developed chromatographic method was found to be linear from 10 µg/mL to 250 µg/mL with r2 value of 0.9995. All other validation parameters including accuracy, precision, robustness, etc. were well within the acceptable limits. The current research also encompasses force degradation studies to understand the impact of different stressing conditions on the stability of drugs in the formulation. KR-loaded DQAsomes were formulated by modified film hydration method and characterized for particle size (215.32±3.54nm), size distribution (0.12±0.004) and zeta potential (39.4±3.04mV). The developed and validated method was further applied to evaluate KR entrapment and loading from KR-loaded DQAsomes along with in vitro cumulative KR release from the formulation. This research would further act as a foundation for the quantification of the drug in other dequalinium-containing formulations.
A Population Health Assessment of Screening Mammography on Breast Cancer Mortality in North Carolina
Authors: Burch Ashley E. , Irish William D. , Wong Jan H. 
Published: August 2022

Abstract
Purpose: To identify predictors of screening mammography use and the effect of screening mammography on breast cancer mortality in North Carolina.Methods: This cross-sectional study integrated publicly available data from government and private data repositories to model predictors of screening mammography and breast cancer mortality in North Carolina.Results: In North Carolina, on average, 68.1% of women aged 40 to 74 years underwent a screening mammogram in the previous two years (range: 38.7% – 82.1). The ordinary least-squares (OLS) regression demonstrated counties experiencing persistent poverty have mammography screening rates that are 4.3% less, on average, than counties without persistent poverty (estimate (SE) = -4.283 (2.105), p=0.045). As the percentage of women with a college education increases, the mammography screening rates increase by approximately 0.3% (estimate (SE) = 0.319 (0.078), P < .001) and as the health literacy score increases, the mammography screening rate decreases by 0.3% (estimate (SE) = -0.318 (0.104), p=0.003). These variables explain 7.0% of the variability in mammographic screening rates. The OLS regression analysis demonstrated that age-adjusted breast cancer incidence (Estimate (SE) = 0.074 (0.024), p=0.003) and health literacy score (estimate (SE) = -0.175 (0.083), p=0.039) are significantly related to breast cancer mortality.Conclusions: Demographic, socioeconomic, and environmental variables explain only a small percentage of the variability in the rates of screening mammography and breast cancer mortality in North Carolina. Advances in the available treatments are likely the major contributor to improving breast cancer mortality.
Spatial fuzzy c-means for delineation of potential management zones based on soil physico-chemical properties and cowpea yield
Authors: Júnior João Fernandes da Silva , Silva Thiago Thome da , Sousa Devid Jakson da Silva , Pinheiro Daniel Pereira , Tavares Rose Luiza Moraes 
Published: August 2022

Abstract
Aims Management zone delineation is one of the principles of precision agriculture. The spatial variability of the different environmental factors (soil and plants) is evident in several studies. The associations between soil physico-chemical properties and cowpea yield have been assessed, but scholars have usually reported a large unexplained variance of ranges between kriged maps. This suggests that a deeper exploration into the soil properties of these spatial interactions will help develop our understanding on how to reduce the number of soil property maps to delineate management zones and simplify interpretation. Methods This research proposes to investigate whether factorial kriging analysis can be used as an auxiliary variable in cokriging to estimate soil properties and cowpea, and what is the potential of spatial Fuzzy C-Means associated with factorial kriging analysis to delineate management zones. Results By using factor maps and spatial clustering, two management zones were classified. The kriged maps of soil properties were not efficient to delineate management zones. Conclusions Appropriately the results indicate that the proposed method is a practical tool to delineate management zones and it is more efficient than multiple soil properties maps.
EHTT2022-Tribological Mechanism of Graphene/Ionic Liquid Nanofluid on Grain/Workpiece Grinding Interface under Nanofluid Minimum Quantity Lubrication
Authors: Wang Dexiang , Zhang Yu , Zhao Qiliang , Jiang Jingliang , Liu Guoliang , Li Chang-He 
Published: August 2022

Abstract
Graphene nanosheets and ionic liquids (ILs) both have excellent heat transfer and lubricating properties and both have great potential in minimum quantity lubrication (MQL) grinding, however the grinding performance of graphene/IL nanofluids under nanofluid minimum quantity lubrication (NMQL) is still unclear. This research firstly evaluates the grinding performances of graphene/IL nanofluids under NMQL experimentally. The evaluation shows that graphene/IL nanofluids can further strengthen both the cooling and lubricating performances compared with MQL grinding using ILs only. The specific grinding energy and grinding force ratio can be reduced by over 40 percent at grinding depth of 10 μm. Workpiece machined surface roughness can be decreased by over 10 percent, and grinding temperature can be lowered over 50 ℃ at grinding depth of 30 μm. Aiming at the unclear tribological mechanism of graphene/IL nanofluids, molecular dynamics simulations for abrasive grain/workpiece grinding interface are performed to explore the formation mechanism of physical adsorption film. The simulations show that the grinding interface is in a boundary lubrication state. IL molecules absorb in groove-like fractures on grain wear flat face to form boundary lubrication film, and graphene nanosheets can enter into the grinding interface to further decrease the contact area between abrasive grain and workpiece. The interlayer shear effect and low interlayer shear strength of graphene nanosheets are the principal causes of enhanced lubricating performance on the grinding interface. EDS and XPS analyses are further carried out to explore the formation mechanism of chemical reaction film. The analyses show that IL base fluid happens chemical reactions with workpiece material, producing FeF2, CrF3, and BN. The fresh machined surface of workpiece is oxidized by air, producing NiO, Cr2O3 and Fe2O3. The chemical reaction film is constituted by fluorides, nitrides and oxides together.