bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exciton Nature of Plasma Phase Transition in Warm Dense Fluid Hydrogen: ROKS Simulation**
Authors: Fedorov Ilya D. , Stegailov Vladimir V. 
Published: November 2022

AbstractThe transition of warm dense fluid hydrogen from an insulator to a conducting state at pressures of about 20–400 GPa and temperatures of 500–5000 K has been the subject of active scientific research over the past few decades. However, various experimental and theoretical methods do not provide consistent results. In this work, we have applied the restricted open‐shell Kohn–Sham (ROKS) method for first principles molecular dynamics of dense hydrogen after thermal excitation to the first singlet excited state. The Wannier localization method has allowed us to analyze the exciton dynamics in this system. The model shows that a key mechanism of the transition is associated with the dissociation of electron‐hole pairs, which allows explaining several stages of the transition of fluid H2 from molecular state to plasma. This mechanism is able to give a quantitative description of several experimental results as well as to resolve the discrepancies between experimental studies.
Band Edges Engineering of 2D/2D Heterostructures: The C3N4/Phosphorene Interface
Authors: Di Liberto Giovanni , Tosoni Sergio 
Published: November 2022

AbstractWe investigate the interface between carbon nitride (C3N4) and phosphorene nanosheets (P‐ene) by means of Density Functional Theory (DFT) calculations. C3N4/P‐ene composites have been recently obtained experimentally showing excellent photoactivity. Our results indicate that the formation of the interface is a favorable process driven by Van der Waals forces. The thickness of P‐ene nanosheets determines the band edges offsets and the charge carriers’ separation. The system is predicted to pass from a nearly type‐II to a type‐I junction when the thickness of P‐ene increases, and the conduction band offset is particularly sensitive. Last, we apply the Transfer Matrix Method to estimate the efficiency for charge carriers’ migration as a function of the P‐ene thickness.
Assessment of the Electrochemical Synthesis Route to Silicones Starting from Silica as Feedstock
Authors: Beck Alexander D. , Schäffer Lukas , Haufe Stefan , Waldvogel Siegfried R. 
Published: November 2022

AbstractWe successfully achieved methylation of various SiO2 sources to cyclic methylsiloxanes via electroreduction reaction. Contrary to previous assumptions, the reaction does not start from methanol as methyl radical source, that results in methoxylation of the electrolyte solvent. Methylammonium cations were found to enable the direct conversion, strongly dependent on the radical intermediate stabilization by the electrolyte. THF/Bu4NCF3SO3 is the sole applicable system with yields below 14 % referred to the methylammonium cations for the highest amount of product obtained so far. Mechanistic insights show that methylation does not occur via the supposed hydrolysis of dimethoxydimethylsilane intermediate, but via a direct conversion reaction, as comparative studies of a Fenton‐type procedure clearly indicate. Further, cyclic methylsiloxane products are prone to subsequent electrochemical equilibration, strongly directed by the electrolyte solvent.
Early prediction of Ibex 35 movements
Authors: Miranda García I. Marta , Segovia‐Vargas María‐Jesús , Mori Usue , Lozano José A. 
Published: November 2022

AbstractIn this paper, we examine the early predictability of the market's directional movement using intraday high‐frequency data (695,764 observations) from an stock index (Ibex 35 Index) to provide, either private or institutional investors, an early warning system based on an “early indicator” of the financial market fluctuations with an optimal combination of the two more relevant variables for this strategy, accuracy, and earliness. A novel supervised machine learning early classification technique (Artificial Intelligence) has been applied, for the first time, to the high‐frequency time series of both price and certain technical indicators.The results obtained allow us to assert that the intraday movement of the Ibex 35 can be predicted with acceptable levels of accuracy 24 min after the start of the session and to establish certain informative intraday hourly patterns. Consequently, different indicators of precision and earliness in the session are generated, obtaining that, after a certain point in the session, no gains in precision are generated.
Effect of partially hydrolyzed guar gum on the expression of aquaporin‐3 in the colon
Authors: Kon Risako , Ikarashi Nobutomo , Onuma Kazuhiro , Yasukawa Zenta , Ozeki Makoto , Sakai Hiroyasu , Kamei Junzo 
Published: November 2022

AbstractIn recent years, the development of functional foods targeting gastrointestinal disorders has been in progress. Partially hydrolyzed guar gum (PHGG), which is a water‐soluble dietary fiber, is known to have a constipation‐improving effect. However, many aspects of the mechanism remain unclear. In this study, we investigated the role of aquaporin‐3 (AQP3), which regulates the water content of feces in ameliorative effect of PHGG on constipation. Rats were allowed to freely consume a normal diet or a diet containing 5% PHGG for 14 days, and defecation parameters were measured. We also analyzed the expression levels of genes involved in water transport in the colon. The defecation frequency and volume of rats treated with PHGG were not different from those from the control group, but the fecal water content was significantly increased, and soft stools were observed. The expressions of claudin‐1, tight junction protein‐1, and cadherin‐1, which are involved in tight junctions or adherens junctions, were almost the same in the PHGG‐treated group and the control group. The expression level of AQP3 in the colon was significantly decreased in the PHGG‐treated group. In this study, PHGG decreased the colonic AQP3 expression, thereby suppressing water transport from the luminal side to the vascular side and improving constipation.
Reducing the risk of gestational diabetes mellitus in chronic hepatitis B virus carriers via more strict control of gestational weight gain
Authors: Yin Wanchang , Chen Bingjun , Liu Chenning , Liu Yuhui , Yang Yilin , Li Xiuzi , Li Ruirui , Xie Jiangnan , He Fang 
Published: November 2022

AbstractObjectiveTo explore the association between gestational weight gain (GWG) and gestational diabetes mellitus (GDM) in hepatitis B surface antigen (HBsAg) ‐positive women using a retrospective cohort study to provide advice on the management of GWG.MethodsOur study included 39 539 pregnant women who gave birth at the Third Affiliated Hospital of Guangzhou Medical University, Guangzhou, China. Patients were divided into two groups: the HBsAg‐negative and HBsAg‐positive groups, comprising 36 500 and 3039 participants, respectively. We used univariate and multivariable logistic regression analyses to explore the association between GWG and GDM in maternal hepatitis B virus (HBV) carrier women.ResultsBeing HBsAg positive and excessive GWG were independent risk factors for GDM. Excessive GWG was associated with a higher risk of GDM in HBsAg‐positive women. Among pre‐pregnancy women of normal weight, HBsAg‐positive women with adequate GWG had a higher risk of GDM than HBsAg‐negative women, whereas HBsAg‐positive women with inadequate GWG had a lower risk of GDM.ConclusionsThe optimal GWG ranges for pre‐pregnancy normal‐weight HBsAg‐positive pregnancies might be lower than the US Institute of Medicine recommendations. HBsAg‐positive women should strictly control GWG to reduce the risk of GDM.
Diffuse optical detection of global cerebral ischemia in an adult porcine model
Authors: Fu Chuhua , Wang Detian , Wang Long , Zhu Liguo , Li Zeren , Chen Tunan , Feng Hua , Li Fei 
Published: November 2022

AbstractRapid screening for ischemic strokes in prehospital settings may improve patient outcomes by allowing early deployment of vascular recanalization therapies. However, there are no low‐cost and convenient methods that can assess ischemic strokes in such a setting. Diffuse correlation spectroscopy (DCS) is a promising method for continuous, noninvasive transcranial monitoring of cerebral blood flow. In this study, we used a DCS system to detect cerebral hemodynamics before and after acute ischemic stroke in pigs. Seven adult porcines were chosen to establish ischemic stroke models via bilateral common carotid artery ligation (n = 5) or air emboli (n = 2). The results showed a significant difference in blood flow index (BFI) between the normal and ischemic groups. Relative blood flow index (rBFI) exhibited excellent results. Therefore, the diffuse optical method can assess the hemodynamic changes in acute cerebral ischemic stroke onset in pigs, and rBFI may be a promising biomarker for identifying cerebral ischemic stroke.
Computational investigation of the radical‐mediated mechanism of formation of difluoro methyl oxindoles: Elucidation of the reaction selectivity and yields
Authors: Somnarin Thanachon , Krawmanee Pacharaporn , Gleeson Matthew Paul , Gleeson Duangkamol 
Published: November 2022

AbstractOxindoles are an important class of heterocyclic alkaloids with demonstrated pharmacological activity at multiple biological targets. Preparation of new analogs through novel synthetic routes is therefore highly attractive. In this work, we report a computational study to investigate the synthesis of ethoxycarbonyldifluoromethylated oxindoles from N‐arylmethacrylamides. The reaction tolerates a diverse range of acrylamides, shows yields ranging from approximately 38%–96%. We have applied density functional theory (DFT) to explore the reaction mechanism, kinetics and thermodynamics to gain further understanding. We demonstrate that a radical‐based ring closure reaction is energetically more favorable than a heterolytic process, that the rate‐determining step is the formation of the arylmethacrylamide radical, and that the product yields and selectivities are consistent with experiment. The results demonstrate that theoretical methods can prove useful to understand how such reaction and could be potentially employed to rapidly explore the reaction scope further.
The longitudinal changes of serum JKAP and IL‐17A, and their linkage with anxiety, depression, and cognitive impairment in acute ischemic stroke patients
Authors: Wang Chaohui , Huo Huiyong , Li Juntao , Zhang Wenchao , Liu Chao , Jin Bei , Wang Huijuan , Zhao Ping 
Published: November 2022

AbstractBackgroundOur previous study discovers that Jun N‐terminal kinase pathway‐associated phosphatase (JKAP) is dysregulated and negatively links with the disease severity in acute ischemic stroke (AIS) patients. This study intended to further evaluate the linkage of JKAP and interleukin (IL)‐17A with anxiety, depression, and cognitive impairment in AIS patients.MethodsSerum JKAP and IL‐17A levels in 120 AIS patients at admission, 1st (D1), 3rd (D3), 7th (D7) day after admission, and from 20 controls, were detected by ELISA. Hospital Anxiety and Depression Scale (HADS) and Mini‐Mental State Examination (MMSE) were assessed in AIS patients at discharge.ResultsJKAP (p < 0.001) was reduced, but IL‐17A (p < 0.001) was increased in AIS patients versus controls, and negatively correlated with each other in AIS patients (p = 0.014). In AIS patients, JKAP was reduced from baseline to D1 and then increased to D7 (p < 0.001), while IL‐17A exhibited an opposite trend (p < 0.001). Notably, JKAP at D3 was negatively linked with HADS‐anxiety score (p = 0.044), then decreased JKAP at D3 (p = 0.017) and D7 (p = 0.037) related to increased anxiety occurrence. However, JKAP was not linked to HADS‐depression score or depression occurrence. Besides, JKAP at multiple time points were positively associated with MMSE score (all p < 0.05); decreased JKAP at D3 (p = 0.017) and D7 (p = 0.026) related to raised cognitive impairment occurrence.ConclusionJKAP initially decreases then shows an increasing trend after disease onset, and its decrement relates to elevated IL‐17A, anxiety and cognitive impairment in AIS patients.
Influence of comorbid social anxiety disorder in PTSD treatment outcomes for Prolonged Exposure in female military sexual trauma survivors with PTSD
Authors: Gros Daniel F. , Allan Nicholas P. , Koscinski Brandon , Keller Stephanie , Acierno Ron 
Published: November 2022

AbstractObjectivePosttraumatic stress disorder (PTSD) is a common psychiatric disorder that frequently presents alongside other comorbid diagnoses. Although several evidence‐based psychotherapies have been well‐studied for PTSD, limited research has focused on the influence of diagnostic comorbidity on their outcomes. The present study sought to investigate the influence of comorbid social anxiety disorder on treatment outcomes in patients with PTSD.MethodsOne hundred and twelve treatment‐seeking female veteran participants with PTSD completed baseline assessments and received 12–15 sessions of Prolonged Exposure. Symptom measures were completed biweekly as well as at immediate posttreatment, 3‐month, and 6‐month follow‐ups.ResultsThirty (26.8%) participants seeking PTSD treatment also met diagnostic criteria for social anxiety disorder. Multilevel modeling was used to examine effects of social anxiety disorder diagnosis on post‐intervention symptoms and revealed significantly worse outcomes for symptoms of PTSD and depression in participants with comorbid PTSD and social anxiety disorder.ConclusionConsistent with previous studies of co‐occurring PTSD and depression, present findings suggest that comorbid diagnoses may adversely affect disorder‐specific treatment outcomes. As such, the presence of diagnostic comorbidity may merit further consideration and potential adaptions to the traditional, disorder‐specific assessment and treatment practices for PTSD.
The association between autistic traits and serum testosterone, oxytocin, and androstenedione levels in prepubertal male drug naive children with attention‐deficit/hyperactivity disorder
Authors: Artık Abdulbaki , Çengel Kültür Sadriye Ebru , Portakal Oytun , Karaboncuk Arda Yamaç 
Published: November 2022

AbstractBackgroundChildren with attention‐deficit/hyperactivity disorder (ADHD) might have similar problems as in autism spectrum disorder (ASD) and show impairment in social behaviour. Also, there is a relationship between social relationship skills and ToM (theory of mind) skills of children with ADHD. Besides, ASD is associated with prenatal exposure to high levels of androgens, and oxytocin plays a role in the modulation of emotions, coping with stress, and social behaviour like ASD. In this study, the relationship between autistic traits and serum oxytocin, testosterone, and androstenedione levels in prepubertal male drug naive children with ADHD has been investigated.MethodEighty‐three prepubertal children, who were diagnosed with ADHD between the ages of 6–10 years old, are included in the study. For the study, intelligence levels were evaluated by using WISC‐4, and autistic traits were measured by using both social responsiveness scale and theory of mind tests. In addition, serum oxytocin, testosterone, and androstenedione levels were measured by using ELISA.ResultsIt has been found that serum testosterone levels of patients with lower autistic traits are significantly lower than those with moderate and severe autistic traits, while the serum oxytocin levels are significantly higher. Also, patients with severe autistic traits have had significantly higher serum androstenedione levels than those with lower and moderate autistic traits.ConclusionThis study suggests that patients who have higher autistic traits have elevated testosterone and androstenedione levels and lower serum oxytocin levels. Further studies are needed to clarify this relationship.
Sequential histologic evolution of gallbladder inflammation in acute cholecystitis over the first 10 days after onset of symptoms
Authors: Panni Roheena Z. , Chatterjee Deyali , Panni Usman Y. , Robbins Keenan J. , Liu Jingxia , Strasberg Steven M. 
Published: November 2022

AbstractBackgroundThe timing of cholecystectomy during acute cholecystitis (AC) is controversial, especially whether it is advisable to perform in patients with duration of symptoms between 3 and 10 days. The purpose of this study is to define clearly the sequential evolution of histological changes following symptoms onset to guide recommendations regarding timing of cholecystectomy.MethodsWe identified patients with AC (2005–2018) who had cholecystectomy within 10 days of symptom onset of a first attack of AC. Histologic features of gallbladder injury including cellular and exudative inflammatory response to injury were determined on blinded pathologic slides.ResultsOne hundred and forty‐nine patients were divided into three groups; early—who underwent cholecystectomy 1–3 days after symptom‐onset, intermediate—4–6 days, and late—7–10 days. Key features of injury were necrosis and hemorrhage. A subgroup of patients in the early phase developed severe necrosis and hemorrhage of an extent associated with difficult cholecystectomy. Large spikes in extent of necrosis and hemorrhage occurred at 7–10 days. Major inflammatory responses to injury were eosinophilic and lymphocytic infiltration and early fibrosis.ConclusionsSevere necrosis may develop rapidly and be present in the early period after symptom onset of AC. Cholecystectomy may be reasonable in some patients but by day 7–10, severe necrosis and hemorrhage may be expected to be present in most patients.
The emergence of recombinant norovirus GII.12[P16] and predominance of GII.3[P12] strains in pediatric patients with acute gastroenteritis in Thailand, 2019–2020
Authors: Phengma Phitchakorn , Khamrin Pattara , Jampanil Nutthawadee , Yodmeeklin Arpaporn , Ushijima Hiroshi , Maneekarn Niwat , Kumthip Kattareeya 
Published: November 2022

AbstractNorovirus (NoV) and sapovirus (SaV) are important pathogens that cause acute gastroenteritis (AGE) in all age groups, commonly in children worldwide. Recently, a number of studies have reported a wide variety of NoV recombinant strains. This study aimed to investigate the distribution of NoV and SaV recombinant strains circulating in Chiang Mai, Thailand, during 2019–2020. One hundred and twenty‐four NoV and seven SaV strains detected in children admitted to the hospital with AGE were included in this study. The partial RNA‐dependent RNA‐polymerase (RdRp)/VP1 regions of these NoV and SaV strains were analyzed by phylogenetic analysis, Simplot, and RDP software. Overall, eight recombination patterns of NoV were detected. NoV GII.4[P16] was the most common strain detected (39.1%), followed by GII.3[P12] (25.0%), GII.4[P31] (17.2%), and other recombinant strains were detected at a lower rate. NoV GII.12[P16] strains were detected for the first time in Thailand. For SaV, none of the recombinant strains was detected. All SaV strains, GI.1/GI.1, GI.2/GI.2, and GII.5/GII.5, exhibited VP1 genotype corresponded to RdRp genotype. In conclusion, this study demonstrates the distribution and diversity of NoV and SaV recombinant strains circulating in pediatric patients with AGE in Chiang Mai, during 2019–2020 with the emergence of NoV GII.3[P12] and GII.12[P16].
Rapid nondestructive detecting of sorghum varieties based on hyperspectral imaging and convolutional neural network
Authors: Bu Youhua , Jiang Xinna , Tian Jianping , Hu Xinjun , Han Lipeng , Huang Dan , Luo Huibo 
Published: November 2022

AbstractBACKGROUNDThe purity of sorghum varieties is an important indicator of the quality of raw materials used in the distillation of liquors. Different varieties of sorghum may be mixed during the acquisition process, which will affect the flavor and quality of liquor. To facilitate the rapid identification of sorghum varieties, this study proposes a sorghum variety identification model using hyperspectral imaging (HSI) technology combined with convolutional neural network (AlexNet).RESULTSFirst, the watershed algorithm, which was modified with the extended‐maxim transform, was used to segment the hyperspectral images of a single sorghum grain. The isolated forest algorithm was used to eliminate abnormal spectral data from the complete spectral data. Secondly, the AlexNet model of sorghum variety identification was established based on the two‐dimensional gray image data of sorghum grain in group 1. The effects of different preprocessing methods and different convolution kernel sizes on the performance of the AlexNet model were discussed. The eigenvalues of the last layer of the AlexNet model were visualized using the t‐distributed random neighborhood embedding method, which is used to evaluate the separability of features extracted by the AlexNet model. The performance differences between the optimal AlexNet model and traditional machine learning models for sorghum variety identification were compared. Finally, the varieties of sorghum grains in groups 2 and 3 were identified based on the optimal AlexNet model, and the average accuracy values of the test set reached 95.62% and 95.91% respectively.CONCLUSIONThe results in this study demonstrated that HSI combined with the AlexNet model could provide a feasible technical approach for the detection of sorghum varieties. © 2022 Society of Chemical Industry.
Multiple ecological effects and their drivers of ecological restoration programmes in the Qinghai‐Tibet Plateau, China
Authors: Ma Shuai , Wang Liang‐Jie , Wang Hui‐Yong , Jiang Jiang , Zhang Jinchi 
Published: November 2022

AbstractA series of ecological restoration programmes (ERPs) have been implemented in the Qinghai‐Tibet Plateau to reverse ecological deterioration. However, the multiple ecological benefits of these ERPs and their driving factors remain unclear. This study analyzed the dynamic changes in fractional vegetation cover (FVC), ecosystem services [water yield (WY), net primary productivity (NPP), and soil conservation (SC)], and sustainable development goals (SDGs) in the Forest Protection and Construction Programme (FPCP), Grassland Protection and Construction Programme (GPCP), Sandy Land Control Programme (SLCP), and Soil Erosion Control Programme (SECP) in the Qinghai‐Tibet Plateau from 2000 to 2015. The geographically weighted regression model was used to reveal the spatial differences of drivers of various ecological benefits. The results showed that ecological benefits increased synergistically in the GPCP and SLCP, while trade‐offs between NPP and WY were observed for the FPCP and SECP. ERPs resulted in a significant increase (p < 0.05) in FVC, SDG 15.1.1, and SDG 15.3.1 and a significant decrease (p < 0.01) in SDG 15.4.2, except for the SLCP. ERPs improved the FVC, WY, and SC, but did not reverse grassland degradation. The ecological benefits of the FPCP and SLCP were poor after 2010, while the ecological benefits of the SLCP have been better since 2012. FVC and WY were dominated by precipitation, and NPP was dominated by FVC. Slope dominated SC in the GPCP, SECP, and SLCP, while precipitation dominated SC in the FPCP. This study can provide scientific support for sustainable vegetation management.