bluuebunny/crossref_metadata_2025_split huggingface dataset:
Thermochemistry in 21 st century – Quo Vadis? In silico assisted diagnostics of available thermochemical data
Authors: Verevkin Sergey P. , Samarov Artemiy A. 
Published: October 2022

Abstract

Which comes first, experiment or theory? The answer is obvious – the experiment comes first. But how to be sure that the result of the experiment is reliable? Perhaps the crucial criterion is that the result should be consistent with the network of knowledge already available. In this study, we propose a step-by-step algorithm for quality diagnostics of thermochemical data on enthalpies of formation and enthalpies of phase transitions of organic compounds. The consistency of the data is studied and established using empirical structure-property correlations as well as using high-level quantum chemical calculations. The diagnostic algorithm is exemplarily demonstrated on a series of alkyl-substituted benzophenones for which conflicting thermochemical data were available.
A multiscale real-time instance segmentation method based oncleaning rubber ball images
Authors: Su Erjie , Tian Yongzhi , Wang Jiayu , Liang Erjun , Zhang Yibo 
Published: October 2022

Abstract
The identification of wear rubber balls in the rubber ball cleaning device in heat exchange equipment directly affects the descaling efficiency. For the problem that the rubber ball image contains impurities and bubbles and the segmentation is low in real time, a multi-scale feature fusion real-time instance segmentation model based on the attention mechanism is proposed for the object segmentation of the rubber ball images. First, we introduce Pyramid Vision Transformer instead of convolution module in the backbone network, and use Spatial-reduction attention layer of transformer to enhance the feature extraction capability at different scales as well as spatial reduction to reduce the computational cost. Then improve the feature fusion module to fuse image features across scales, combined with an attention mechanism to enhance the output feature representation; secondly the prediction head separates the mask branches separately combined with dynamic convolution and depths to improve the accuracy of the mask coefficients. Through the validation of the produced rubber ball dataset, the Dice score, Jaccard coefficient, and mAP of the actual segmented region of this network with the glueball dataset improved by 4.4\%, 4.5\%, and 7.56\%, respectively, and the segmentation speed is also 35.1 fps. The proposed modules can work together to better handle object details and realize better segmentation performance.
Targeted metabolomics detects a putatively diagnostic signature in plasma and dried blood spots from head and neck paraganglioma patients
Authors: Verginelli Fabio , De Fabritiis Simone , Valentinuzzi Silvia , Piras Gianluca , Cicalini Ilaria , Pieragostino Damiana , Pagotto Sara , Perconti Silvia , Zucchelli Mirco , Schena Alberto , Taschin Elisa , Berteșteanu Gloria , Esposito Diana , Stigliano Antonio , De Laurenzi Vincenzo , Schiavi Francesca , Sanna Mario , Boccio Piero Del , Mariani-Costantini Renato 
Published: October 2022

Abstract
Head and neck paragangliomas (HNPGLs), rare radio/chemo-resistant tumors curable only with surgery, are strongly influenced by genetic predisposition, hence patients and relatives require lifetime follow-up with MRI and/or PET-CT because of de novo disease risk. This entails exposure to electromagnetic/ionizing radiation, costs, and organizational challenges, because patients and relatives are scattered far from reference centers. Simplified first-line screening strategies are needed. We employed flow injection analysis tandem mass spectrometry, as used in newborn metabolic screening, to compare the plasma metabolic profile of HNPGL patients (59 samples, 56 cases) and healthy controls (24 samples, 24 cases). Principal Component Analysis (PCA) and Partial Least Discriminant Analysis (PLS-DA) highlighted a distinctive HNPGL signature, likely reflecting anaplerotic conversion of the TCA cycle to glutaminolysis and catabolism of branched amino acids, DNA damage and deoxyadenosine (dAdo) accumulation, impairment of fatty acid oxidation, switch towards the Warburg effect and proinflammatory lysophosphatidylcholines (LPCs) signaling. Statistical analysis of the metabolites that most impacted on PLS-DA was extended to 10 acoustic neuroma and 2 cholesteatoma patients, confirming significant differences relative to the HNPGL plasma metabolomic profile. The best confusion matrix from the ROC curve built on 2 metabolites, dAdo and C26:0-LPC, provided respective specificities of 94.29% and 89.29% and predictive powers of 96.15% and 84.62%. Analysis of dAdo and C26:0-LPC levels in dried venous and capillary blood confirmed that dAdo, likely deriving from 2′-deoxy-ATP accumulated in HNPGL cells following endogenous genotoxic damage, efficiently discriminated HNPGL patients from healthy controls and acoustic neuroma/cholesteatoma patients on easily manageable dried blood spots.
A Specific Internet-based Cognitive Behavior Therapy for Adolescents with Social Anxiety Disorder: Three-armed Randomized Control Trial
Authors: Esfandiari Narges , Mazaheri Mohammad Ali , Akbari-Zardkhaneh Saeed , Sadeghi-Firoozabadi Vahid , Cheraghi Mona , Mousavi Masoumeh 
Published: October 2022

Abstract
The present study aims to develop a specific cognitive behavior therapy (ICBT) for social anxiety disorder (SAD) in adolescents based on previous researches’ suggestions. An ICBT was developed with two generic and specific approaches. The sample included 45 adolescents aged 14 to 18 with social anxiety disorder. Participants were randomly assigned to three groups: specific, generic, and waiting list. All the outcome measures were conducted in four stages: pre-test, mid-test, post-test, and 3 months follow-up. The results showed a significant improvement in favor of ICBT with a specific approach on the score of the Social Anxiety Scale for Adolescents SASA (p ≤ 0.01) and its two subscales including Anxiety and Fear of Negative Evaluation AFNE (p ≤ 0.01) and Tension and Inhibition in Social Interaction TISC (p ≤ 0.001). The specific ICBT developed in this study was an effective intervention for adolescents with SAD. The changes were also maintained at a 3-month follow-up.
Numerical Study of the Second-Order Peridynamic Material Correspondence Model
Authors: Chan WaiLam , Chen Hailong 
Published: October 2022

Abstract
In this paper, a numerical study of the second-order model of recentlydeveloped higher-order peridynamic correspondence formulations is presented. Connectionsof the model with all three types of Mindlin first gradient theories areestablished. An implicit solution scheme based on the automatic differentiationtechnique for the construction of the stiffness matrix is developed. To examinethe material stability of the model, a wave dispersion analysis is conducted fordifferent combinations of horizon size and length scale parameter. To verify theprediction accuracy of the model, a benchmark linear elastic deformation problemwith analytical solution is modeled for different length scale parameters. From thewave dispersion analysis, it is found that the second-order model is stable as longas the material has nonzero length scale parameter. It is also found that increasingthe size of either the mesh spacing factor or the length scale parameter reducesthe dispersiveness of the angular frequency - wave number curve while increasingmesh spacing increases the dispersiveness of the curve. In the linear elastic deformationstudy, great agreements between the model predictions and the analyticalsolutions for nonzero length scale parameters are observed. For small length scaleparameter, both the model prediction and the analytical solution are very closeto conventional solution without considering length scale effect. This observationverifies the prediction accuracy of the model and confirms the ability of the modelto accurately capture the length scale effect in materials.
Magicmol - A light-weighted pipeline for drug-like molecule evolution and quick chemical space exploration
Authors: Chen Lin , Shen Qing , Lou Jungang 
Published: October 2022

Abstract
The flourishment of machine learning and deep learning methods have boosted the development of cheminformatics, especially when it comes to the application of drug discovery and new materials exploration. Lower time and space expenses make it possible for scientists to search the enormous chemical space. Recently, some work combines reinforcement learning strategies with an RNN-based (Recurrent Neural Networks) model to optimize the property of generated drug-like molecules, which notably improved a batch of critical factors for these drug candidates. However, a common problem of these RNN-based methods is that several generated molecules have difficulty in synthesizing even if owning higher desired properties such as binding affinity. But still, the RNN-based framework appears well in reproducing the molecule distribution among the training set than other categories of models when it comes to the molecule exploration tasks. Thus, to optimize the whole exploring process and make it contribute to the optimization of specified molecules. In this paper, we devised a light-weighted pipeline called - Magicmol with a re-mastered RNN network and use SELFIES presentation instead of SMILES. Our backbone model achieve extraordinary performance in evaluating metrics meanwhile reduced the training cost and we devised reward truncate strategies to eliminate the ”model collapse” problem. Also, adopting SELFIES presentation makes it possible for combining STONED-SELFIES as a post-processing procedure for specified molecule optimization and quick chemical space exploration.
Challenges of Consumer Culture and Solid-waste to the Environment Protection in Pokhara Metropolitan City, Nepal
Authors: Subedi Shukra Raj , Poudel Jiban M , Subedi Madhusudan , Sharma Bigyan , Subedi Sunil , Neupane Bhim P , Lamichhane Basanta L , Neupane Badri N , Bohara Krishna K , Shrestha Gopi L 
Published: October 2022

Abstract

Changing consumer culture and increasing solid-waste have become global environmental issues leading to myriad challenges for management, especially in urban spaces. Against this backdrop, this study explores the challenges of solid-waste attached to changing consumer culture in the context of Pokhara, an urbanized tourist city in Nepal. The study has followed the qualitative research design generated through primary and secondary data. For this purpose, five informants have selected by purposive sampling and gathered their experiences, knowledge, and understanding of the relationship between changing consumer culture and increased solid-waste through in-depth interviews. The findings reveal that the leading cause of the environmental problem in this area is due to changing consumer culture along with rapidly growing urbanized cities and an increased attachment towards readymade items, which are in forceful demand with the stretching of the global market. It leads to an increase in solid-waste, and now it is a burning issue for protecting the environment in this area. Hence, consumer culture and solid-waste have interconnected aspects and contributing factors to an environmental problem in Pokhara.
Co-encapsulation of curcumin and quercetin using zein/beta-cyclodextrin composite nanoparticles: Enhancing the environmental resistance and synergistic antioxidant activity
Authors: Jin Zhengyu , Qiu Chao , Zhang Zhiheng , Li Xiaojing , Sang Shangyuan , McClements David Julian , Chen Long , Long Jie , Jiao Aiquan , Xu Xueming 
Published: October 2022

Abstract
In this study, composite nanoparticles consisting of zein and hydroxypropyl beta-cyclodextrin were prepared using a combined antisolvent co-precipitation/electrostatic interaction method. The effects of calcium ion concentration on the stability of the composite nanoparticles containing both curcumin and quercetin were investigated. Moreover, the stability and bioactivity of the quercetin and curcumin were characterized before and after encapsulation. Fluorescence spectroscopy, Fourier Transform infrared spectroscopy, and X-ray diffraction analyses indicated that electrostatic interactions, hydrogen bonding, and hydrophobic interactions were the main driving forces for the formation of the composite nanoparticles. The addition of calcium ions promoted crosslinking of the proteins and affected the stability of the protein-cyclodextrin composite particles through electrostatic screening and binding effects. The addition of calcium ions to the composite particles improved the encapsulation efficiency, antioxidant activity, and stability of the curcumin and quercetin. However, there was an optimum calcium ion concentration (2.0 mM) that provided the best encapsulation and protection effects on the nutraceuticals. The calcium crosslinked composite particles were shown to maintain good stability under different pH and simulated gastrointestinal digestion conditions. These results suggest that zein-cyclodextrin composite nanoparticles may be useful plant-based colloidal delivery systems for hydrophobic bioactive agents.
Progression to Myocardial Infarction Short-Term Death Based on Interval Sequential Pattern Mining
Authors: Wu Yang-Sheng , Taniar David , Adhinugraha Kiki , Wang Chao-Hung , Pai Tun-Wen 
Published: October 2022

Abstract
Cardiovascular disease (CVD) is the leading cause of death globally, contributing to 32% of all global deaths. Moreover, myocardial infarction (MI) causes 11.9% of deaths among CVD patients. [1] According to our Taiwan health insurance database analysis, the hazard rate reaches a peak in the initial year after diagnosis, drops to a relatively low value, and maintains stability for the following years. Therefore, identifying suspicious comorbidities before the diagnosis that may lead MI patients to short-term death is paramount. In this study, interval sequential pattern mining was applied to the hospitalization records to evaluate the disease progression and identify potential subjects at the earliest stage possible. Our analysis resulted in five disease pathways, including “diabetes mellitus,” “other disorders of the urethra and urinary tract,” “essential hypertension,” “hypertensive heart disease,” and “other forms of chronic ischemic heart disease” that led to short-term death after MI diagnosis, and these pathways covered half of the cohort. We hope that our findings will assist in the early identification of patients at risk of short-term death.
Design and Key Construction Technology of Steel-Concrete-Steel Sandwich Composite Pylon for a Large Span Cable-stayed Bridge
Authors: Pei Bida , Chong Aixiu , Xia Huan , Kang Xueyun 
Published: October 2022

Abstract
Steel-concrete composite pylons are rarely used in long-span cable supported bridges. This paper introduces a new type of steel-concrete composite pylon, which is applied to a cable-stayed bridge with a main span of 600m. For this new type of pylon, the steel shells are connected with concrete through PBL shear connectors and studs, and the inner steel shells are connected with the outer steel shells by angle steels. Numerical analysis and full-scale model tests show that the pylon structure exhibits excellent mechanical properties and construction performance. On the other hand, highly factory-manufactured modular assembly of the reinforced steel shell structure can effectively reduce the intensity and difficulty of on-site operations, and improve the quality of the project, with low construction risks. Whereas, the modernization level of the construction of the cable pylon has been greatly improved.
Innovations to address the burden of hypertension: Assessing accuracy of a smartphone application-based blood pressure estimation algorithm in Bangladesh, South Africa and Tanzania among general and pregnant populations
Authors: Tamrat Tigest , Festo Charles , Vannevel Valerie , Hlongwane Tsakane , Ali Hasmot , Mollel Getrud , Fahmida Kaniz , Alland Kelsey , Barreix Maria , Mehrtash Hedieh , Silva Ronaldo , Thwin Soe Soe , Mehl Garrett , Labrique Alain , Masanja Honorati , Tuncalp Ozge 
Published: October 2022

Abstract
The authors have requested that this preprint be removed from Research Square.
Identification of Diagnostic Gene Biomarkers and Characterization of the Immune Infiltration in Primary Membranous Nephropathy by Integrating Machine-Learning Strategies and Bioinformatic Analysis
Authors: Huang Jingda , Fu Shaojie , Lin Yangyang , Sun Mindan 
Published: October 2022

Abstract
Background: Primary membranous nephropathy (PMN) refers to an immune complex-mediated cause of the nephrotic syndrome, which is one of the leading causes of end-stage renal disease worldwide and imposes a heavy burden on patients with PMN and the medical insurance system. The risk of complications and unsatisfied efficacy limit the use of traditional diagnostic methods in some patients. Thus discovery of novel diagnostic biomarkers is needed. The aim of the present study was to identify potential diagnostic biomarkers for PMN and revealing the significance of immune cell infiltration for its pathogenesis.
Methods: Three gene expression profiles (GSE108109, GSE104948, GSE47185) from samples from patients with PMN and controls were obtained from Gene Expression Omnibus (GEO) database as a training set, and GSE99340 was downloaded as a validation set. Differentially expressed genes (DEGs) were identified using the training set, and functional correlation analyses were conducted by R software. Three machine-learning strategies were performed to identify potential diagnostic biomarkers for PMN and receiver operating characteristic (ROC) curves was used for both training sets and the validation set to evaluate the diagnostic efficacy of these biomarkers. In addition, cell-type identification by estimating relative subsets of RNA transcript (CIBERSORT) bioinformatics algorithm was employed to assess the immune cell infiltration in PMN and the relationships between the diagnostic biomarkers and infiltrating immune cells were characterized.
Results: Eighty-six DEGs received the recognition. CCAAT/enhancer-binding protein delta (CEBPD) and Myozenin 2 (MYOZ2) were identified as biomarker genes for the diagnosis of PMN. As indicated from the immune cell infiltration analysis, neutrophils, memory B cells and monocytes may be involved in the development of PMN. Additionally, both CEBPD and MYOZ2 might correlate with immune cells in diverse degrees.
Conclusions: CEBPD and MYOZ2 are potential diagnostic biomarkers of PMN, and the immune cell infiltration plays important roles in the pathogenesis of this disease.
Improved glycaemic control and cardiovascular risk in patients with DM-II following Cataract Phacoemulsification surgery
Authors: Matias Maria João , Alves-Peixoto Pedro , Miranda Vítor , Aguiar Catarina Pestana , Ambrósio João , Rocha António , Chibante-Pedro João 
Published: October 2022

Abstract
Objective: Assess the glycemic control and cardiovascular risk (CV risk) change in Diabetes-Mellitus type II (DM-II patients) undergoing uncomplicated bilateral cataract phacoemulsification surgery.
Design: Retrospective study.
Participants: We selected 28 patients who underwent uncomplicated bilateral cataract surgery at Centro Hospitalar de Entre o Douro e Vouga between January 2018 and December 2019.
Inclusion criteria: inexistence of other known ophthalmological pathology, the availability of their records of comorbidities, lipid profile, blood pressure, glycated hemoglobin (HbA1c) and body max index (BMI) prior to and in the 6 months following surgery.
Methods: We assessed our patient cohort for changes in HbA1c, lipid profile, BMI and blood pressure before and after surgery. We further subdivided our patient cohort in 2 different groups: group 1 – no to mild visual impairment, ≤0.48 LogMAR; group 2 – moderate to severe visual impairment, >0.48 LogMAR, and assessed for the same variables at the mentioned timepoints. Comparisons were done using paired samples Student’s T-test or Wilcoxon rank, and repeated measures ANOVA with Tukey Post-Hoc tests, respectively.
Results: Following cataract surgery and subsequent improved visual acuity (VA), our patient cohort showed decreased HbA1c, lower arterial blood pressure and decreased BMI, with an improved CV risk score within 6 months of cataract surgery. These improvements where more evident in the patients with worse baseline VA.
Conclusions: Phacoemulsification cataract surgery should be considered in patients with visual impairment, particularly in those that benefit from improved glycemic control and whom need to reduced their cardiovascular risk, such as DM-II patients.
Trade Costs and Tax Structure Reform in Developing Countries
Authors: GNANGNON Sèna Kimm 
Published: October 2022

Abstract
Developing countries are striving to reform their tax structure so as to reduce their total tax revenue's dependence on international trade tax revenue. The present study has investigated the effect of trade costs on this type of tax structure reform (also referred to as "Tax transition Reform" - TTR) through the trade openness channel in developing countries. It has additionally examined how development aid and economic growth performance alter the effect of trade costs on the TTR process. The analysis has used a set of 124 countries over the period 1996–2019, and the two-step system generalized method of moments estimator. It shows that over the full sample, higher overall trade costs, in particular higher nontariff costs discourage the pursuance of the TTR process, while nontariff costs exert no significant effect on TTR. In less developed countries, higher overall trade costs (including higher nontariff costs) tend to promote the TTR, while higher tariff costs discourage the pursuance of TTR. Concurrently, in relatively advanced countries, the overall trade costs (including nontariff costs) undermine the TTR process, but higher tariff costs do not influence it. The analysis has also shown that higher trade costs (overall trade costs, tariffs costs, and nontariff costs) undermine the TTR process in countries that enjoy high degrees of openness to international trade. In other words, countries that wish to pursue their TTR process while further opening-up their economies to international trade have to reduce their trade costs. On the other side, high amounts of development aid allow developing countries to strengthen the TTR process in the context of higher trade costs. Finally, a high economic growth performance fosters the TTR process when countries face higher nontariff costs, while the effect of tariff costs on TTR does not depend on countries' economic growth performance.

JEL Classification: O34; F14; F35.
Simultaneous detection of various pathogenic Escherichia coli in water by sequencing multiplex PCR amplicons
Authors: Suzuki Yoshihiro , Shimizu Hiroki , Tamai Shouichiro , Hoshiko Yuki , Maeda Toshinari , Nukazawa Kei , Iguchi Atsushi , Masago Yoshifumi , Ishii Satoshi 
Published: October 2022

Abstract
Waterborne diseases due to pathogen contamination in water are a serious problem all over the world. Accurate and simultaneous detection of pathogens in water is important to protect public health. In this study, we developed a method to simultaneously detect various pathogenic Escherichia coli by sequencing the amplicons of multiplex PCR. Our newly designed multiplex PCR amplified five genes for pathogenic E. coli (uidA, stx1, stx2, STh gene, and LT gene). Additional two PCR assays (for aggRand eae) were also designed and included in the amplicon sequencing analysis. The same assays were also used for digital PCR (dPCR). Strong positive correlations were observed between the sequence read count and the dPCR results for most of the genes targeted, suggesting that our multiplex PCR-amplicon sequencing approach could provide quantitative information. The method was also successfully applied to monitor the level of pathogenic E. coli in river water and wastewater samples. The approach shown here could be expanded by targeting genes for other pathogens.