bluuebunny/crossref_metadata_2025_split huggingface dataset:
Potential Alphavirus Inhibitors From Phytocompounds – Molecular Docking and Dynamics Based Approach
Authors: Sharma Maneesha , Bansal Anu , Suman Shikha , Raj Sharma Neeta 
Published: October 2023

Background. Alphaviral diseases are an economic burden all over the world due to their chronicity and distribution worldwide. The glycoproteins E1 and E2 are important for binding to the surface of the host cell by interacting with the receptors and non-structural proteins named nsP2 and nsP4 are important for the replication of virus, so can be an important drug discovery target.
Objective. We are aimed to explore the in silico interaction between plant-based compounds (phytocompounds) and specific protein targets, such as nonstructural protein nsP4 and glycoprotein E2 of Sindbis virus (SINV), nsP2 and E2 of Chikungunya virus (CHIKV), and glycoproteins E1 and E2 of Ross River virus (RRV).
Methods. A library of phytochemicals from Indian medicinal plants was prepared using databases and converted to 3D structures. Protein structures (nsP2, nsp4, E1, E2) were obtained and refined, followed by molecular docking with AutoDock Vina. Promising ligands were evaluated for properties, cytotoxicity, and mutagenicity, considering drug-likeness and potential issues. Molecular Dynamics simulations assessed complex stability.
Results. We analyzed 375 phytocompounds against these targets using molecular docking, modeling, and molecular dynamics for SINV, CHIKV, and Ross River (RRV) virus proteins. Granatin A has been found to successfully bind to the target sites of SINV nsP4, CHIKV E2, and CHIKV nsP2 with binding affinity values of -16.2, -20.6, and -18.6 Kcal/mol respectively. Further, stability of CHIKV E2 – Granatin A complex was done by performing molecular dynamic simulation and the complex was stable at 60ps.
Conclusions. This research provides valuable insights into the development of effective antiviral drugs against alphaviruses, emphasizing the importance of natural compounds and their interactions with viral proteins. This study might pave the way for further exploration of these small molecules as effective anti-alphaviral therapeutic agents.
Synergic and Additive Effects of the Combined Effect of Tyrosinase Inhibitors
Authors: Shesterenko Yuliia , Romanovska Iryna , Karpenko Olexandr , Gaydarzhi Ivan 
Published: October 2023

Background. Excessive melanin accumulation in the skin can lead to various diseases and cosmetic issues. While tyrosinase inhibitors are commonly used to reduce pigment biosynthesis, many of them are associated with significant side effects. When multiple drugs are used in combination, it can result in synergism, additive effects, or antagonism. Combining multiple tyrosinase inhibitors is considered a promising approach to minimize side effects and enhance therapeutic efficacy.
Objective. This study aims to investigate the combined use of tyrosinase inhibitors to determine the nature of their interaction, whether it's synergistic or additive.
Methods. We utilized tyrosinase isolated from Agaricus bisporus mushrooms. Enzyme inhibition by test compounds was assessed by measuring tyrosinase activity using tyrosine (30 min in 0.05 M Na-phosphate buffer solution, pH 6.5, 25 °C). To explore joint inhibition, compound solutions were mixed in pairs at various concentrations. The interaction was quantified using the combination index and isobolograms.
Results. To determine the effect of the combined action of agents on tyrosinase activity, we examined standard inhibitors of the enzyme (kojic acid, arbutin, phenylthiourea) and our discovered compound, 3-(2-hydroxyphenylamino)-1,3-dihydro-indol-2-one. Calculations of the combination index and isobolograms for all studied combinations of standard tyrosinase inhibitors revealed additive effects in all studied cases. Simultaneous use of kojic acid or arbutin with 3-(2-hydroxyphenylamino)-1,3-dihydro-indol-2-one demonstrated a synergistic effect. However, the mixture of phenylthiourea with the indole derivative demonstrated an additive effect.
Conclusions. The combined usage of tyrosinase inhibitors in various combinations displayed both additive and synergistic effects. The synergistic effect of using two inhibitors simultaneously presents significant opportunities for the development of more effective and cost-efficient treatments for hyperpigmentation by reducing the concentration of each inhibitor.
Analisis Faktor Kesulitan Membaca Peserta Didik Pada Jenjang Sekolah Menengah Pertama Kelas VI Serta Upaya Mengatasinya
Authors: Anugrah Rezni Vebiana , Safitri Sani 
Published: October 2023

Tujuan penelitian ini adalah untuk mendeskripsikan kesulitan yang dihadapi siswa Kelas 7 di Sekolah Menengah Pertama yang menghambat belajar membaca permulaan. Penelitian ini termasuk penelitian observasional. Teknik pengumpulan data, menggunakan observasi, wawancara, dan dokumentasi. Data yang diperoleh dianalisis secara deskriptif setelah terlebih dahulu direduksi (data reduction), dan diuji keabsahannya melalui uji kredibilitas data. Hasil penelitian menunjukkan bahwa bentuk-bentuk kesulitan yang dihadapi peserta didik kelas 7 di Sekolah Menengah Pertama tempat peneliti bertugas dalam program kampus mengajar yang berpotensi menghambat belajar membaca peserta didik adalah sebagai berikut: 1) peserta didik sulit untuk melafalkan huruf yang memiliki bunyi yang sama seperti j dengan g, peserta didik sulit untuk membaca kata yang lebih dari 4 huruf, peserta didik tidak bisa membaca kata dengan baik, peserta didik sulit mengeja suku kata yang diinstruksikan, peserta didik sulit membedakan antara huruf b dengan d, huruf m dengan w, dan huruf j dengan g dan sebagainya, 2) faktor–faktor yang menghambat Siswa Kesulitan Membaca pada siswa Kelas 7 adalah dari faktor intelektual, faktor lingkungan seperti dari orang tua, faktor psikologis, dan faktor pandemi Covid-19. Solusinya dari permasalahan ini yakni peserta didik diberi tambahan jam diluar kelas seperti dengan membuat kelas literasi yang dilaksanakan dua kali pertemuan dalam seminggu kemudian dikelompokkan sesuai dengan kemampuan peserta didik.
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A FOSSIL FOREST FROM ITALY REVEALS THAT WETLAND CONIFERS THRIVED IN EARLY PERMIAN PERI-TETHYAN PANGEA
Authors: TRÜMPER STEFFEN , RÖßLER RONNY , MORELLI CORRADO , KRAINER KARL , KARBACHER SARA , VOGEL BJÖRN , ANTONELLI MATTEO , SACCO ENRICO , KUSTATSCHER EVELYN 
Published: October 2023

AbstractIn-situ fossil forests are valuable biogenic archives for the structure and setting of paleocommunities and the ecology of their organisms. Here, we present the first trees preserved in growth position in their embedding strata from the Kungurian (lower Permian) Athesian Volcanic Group, Northern Italy—one of the most extensive volcanic successions of post-Variscan Euramerica. We reconstruct the structure, rise and demise, and paleoecology of the forest based on high-resolution documentation of facies architectures and petrography, and the paleontological and taphonomic characters of the fossil content. Generally, the fossiliferous strata record a volcanotectonically controlled base-level rise in a limnic, possibly endorheic wetland basin from a low-relief volcanic landscape. The forest, preserved as calcified stem bases with roots, grew during a short interval of lake-level stasis on a small deltaic sheetflood fan. The forest comprised trees less than 5 m tall with tabular root systems adapted to the waterlogged substrate, and was buried and destroyed by mass flows following rapid submergence. These mass-flow deposits yield parautochthonous woody debris providing anatomical evidence of conifers as the major arborescent plants of the fossil forest. Our results not only elucidate the root architecture of Paleozoic conifers, but also document the ecomorphological plasticity of these plants and substantiate the presence of coniferopsids in wetlands around the Carboniferous/Permian boundary. Further, the evidence of lake perenniality in the studied succession is among the youngest known from the Permian of Europe, pointing to the highly differentiated late-icehouse impacts on continental environments in the Euramerican tropics.
Identification of copy number variations among fetuses with isolated ultrasound soft markers in pregnant women not of advanced maternal age
Authors: liu yunyun , Liu Sha , Liu Jianlong , Bai Ting , Jing Xiaosha , Deng Cechuan , Xia Tianyu , Cheng Jing , Xing Lingling , Wei Xiang , Luo Yuan , Zhou Quanfang , Xie Dan , Xiong Yueyue , Liu Ling , Zhu Qian , Liu Hongqian 
Published: October 2023

Abstract
Background: Pathogenic (P) copy-number variants (CNVs) may be associated with second-trimester ultrasound soft markers (USMs), and non-invasive prenatal screening (NIPS) can enable interrogate the entire fetal genome to screening of fetal CNVs. This study evaluated the clinical application of noninvasive prenatal screening (NIPS) for detecting copy number variants (CNVs) among fetuses with ultrasound soft markers (USMs).
Results: Fetal aneuploidies and CNVs were identified using the Berry Genomics NIPS algorithm in 6632 pregnant women. Fetal aneuploidies and CNVs were identified using the Berry Genomics NIPS algorithm. Those with positive NIPS results underwent amniocentesis for prenatal diagnosis. The NIPS and prenatal diagnosis results were analyzed and compared among different USMs.
A total of 96 pregnancies were scored positive for fetal chromosome anomalies, comprising 37 aneuploidies and 59 CNVs. Positive predictive values (PPVs) for T21, T18, T13, and sex chromosome aneuploidies were 66.67%, 80.00%, 0%, and 30.43%, respectively. NIPS sensitivity for aneuploidies was 100%. For CNVs, the PPVs were calculated as 35.59% and false positive rate of 0.57%. There were six pathogenic (P) CNVs; two successfully identified by NIPS and four missed, of which three were below the NIPS resolution limit and one false negative. The incidence of aneuploidies was significantly higher in fetuses with absent or hypoplastic nasal bone, while that of P CNVs was significantly higher in fetuses with aberrant right subclavian artery (ARSA), compared with other groups.
Conclusions: NIPS yielded a moderate PPV for CNVs in pregnant women with fetal USM. However, NIPS showed limited ability in identifying P CNV. Positive NIPS results for CNV emphasize the need for further prenatal diagnosis. We do not recommend NIPS to screen for CNV in pregnant women with fetal USM, especially in fetuses with ARSA.
Factors Influencing Attitudes of University Students towards ChatGPT and its Usage: A Multi-National Study Validating the TAME-ChatGPT Survey Instrument
Authors: Abdaljaleel Maram , Barakat Muna , Alsanafi Mariam , Salim Nesreen A. , Abazid Husam , Malaeb Diana , Mohammed Ali Haider , Hassan Bassam Abdul Rasool , Wayyes Abdulrasool M. , Farhan Sinan Subhi , Khatib Sami El , Rahal Mohamad , Sahban Ali , Abdelaziz Doaa H. , Mansour Noha O. , AlZayer Reem , Khalil Roaa , Fekih-Romdhane Feten , Hallit Rabih , Hallit Souheil , Sallam Malik 
Published: October 2023

Abstract
Artificial intelligence models, like ChatGPT, have the potential to revolutionize higher education when implemented properly. This study aimed to investigate the factors influencing university students’ attitudes and usage of ChatGPT in Arab countries. The survey instrument “TAME-ChatGPT” was administered to 2240 participants from Iraq, Kuwait, Egypt, Lebanon, and Jordan. Of those, 46.8% heard of ChatGPT, and 52.6% used it before the study. The results indicated that a positive attitude and usage of ChatGPT were determined by factors like ease of use, positive attitude towards technology, social influence, perceived usefulness, behavioral/cognitive influences, low perceived risks, and low anxiety. Confirmatory factor analysis indicated the adequacy of the “TAME-ChatGPT” constructs. Multivariate analysis demonstrated that the attitude towards ChatGPT usage was significantly influenced by country of residence, age, university type, and recent academic performance. This study validated “TAME-ChatGPT” as a useful tool for assessing ChatGPT adoption among university students. The successful integration of ChatGPT in higher education relies on the perceived ease of use, perceived usefulness, positive attitude towards technology, social influence, behavioral/cognitive elements, low anxiety, and minimal perceived risks. Policies for ChatGPT adoption in higher education should be tailored to individual contexts, considering the variations in student attitudes observed in this study.
Laboratory assessment of influence of alternating temperature on growth and development of Pectinophora gossypiella (Saunders) in Bt cotton
Authors: P HARSHAVARDHAN , Kaur Amandeep , Kumar Vijay 
Published: October 2023

Abstract
Pectinophora gossypiella is one of the most destructive pests of Bt cotton. P. gossypiella gradually became a serious threat after gaining resistance to Bt toxin owing to which resulted in huge economic losses to the cotton growers. Present investigation was carried in order to study the most favourable temperature of P. gossypiella for its growth and development under various altering temperature regimes (20:30oC, 24:30oC,28:30oC, 20:35oC, 24:35oC, 28:35oC, 20:40oC, 24:40oC and 28:40oC) in Integrated Pest Management Laboratory, Department of Entomology, PAU, Ludhiana during kharif 2022-23. The results revealed that duration of all larval instars and total larval duration were significantly shorter at an alternating temperature of 28:40oC. The pupal duration, adult longevity and total developmental period of male and female were recorded significantly lower at an alternate temperature of 28:40oC. The fecundity and survivability (egg, larval and pupal) recorded maximum at 28:30oC, whereas the larval and pupal weights were recorded highest at an alternate temperature of 28:35oC. The correlation between developmental parameters and fecundity shown significant negative correlation, the survival of egg, larva and pupa show non-significant negative correlation, whereas the larval and pupal weights show non-significant positive correlation with alternate temperatures.
Development and validation of a novel nutrition-based nomogram to predict prognosis in pancreatic cancer patients receiving first-line systemic chemotherapy from three centres.
Authors: Zheng Song , Zheng Hui , Li Binbin 
Published: October 2023

Abstract
Background
According to clinical trials, the median survival time of patients with advanced pancreatic cancer does not exceed 1 year. There are great differences in prognosis between different patients with pancreatic cancer, and their nutritional status may play a role. In our study, we sought to explore the predictive value of body composition and weight alteration during chemotherapy.
Methods
In this retrospective study, 90 patients from 3 hospitals with metastatic or locally advanced unresectable pancreatic cancer treated with chemotherapy were analysed. The changes in weight and skeletal muscle index (SMI) and other clinical characteristics were evaluated with LASSO Cox regression and multivariate Cox regression analysis, which were applied to construct nomograms. The performance of the nomograms was validated internally by using the bootstrap method with 100 resample models and was assessed by the concordance index (C-index), calibration plots, and decision curve analysis (DCA).
Results
The median progression-free survival (PFS) and overall survival (OS) were 5.9 months and 11.8 months, respectively. Liver metastases, local therapy, operation, L3SMI change per 2 months and CD4:CD8 ratio were identified for PFS, while CA19-9, local therapy, operation, weight change per 2 months and CD4:CD8 ratio were identified for OS. The C-index for the nomograms of PFS and OS were 0.709 and 0.755, respectively.
Conclusion
Nomograms were developed from clinical features and nutritional indicators to predict the probability of achieving 2-month and 4-month PFS and 6-month and 12-month OS with chemotherapy for advanced PC. In advanced pancreatic cancer with limited treatment options, screening for patients who may benefit from chemotherapy is important.
A conjugated structure discloses interaction between two fault systems in eastern Taiwan during 2022 Guangfu earthquake
Authors: Lu Chih-Heng , Hsu Yi-Chun , Chang Chung-Pai , Chen Yue-Gau 
Published: October 2023

Abstract
The Longitudinal Valley (LV) in the eastern Taiwan is located at the convergent boundary between the Philippine Sea Plate and the Eurasian Plate. Within the LV, two significant fault systems, the Longitudinal Valley Fault (LVF) in the eastern part and the Central Range Fault (CeRF) in the western part, have been recognized. In this study, we integrate various data sources, including geodetic data, seismic data, field survey, and simulation results, all obtained during the Guangfu earthquake. Our goal is to shed light on the complex structural interactions between two fault systems. We introduce a coupled structures model consisting of a main fault plane and a coupled ramp plane. The deep-seated fault plane is constrained using seismic data, while the shallow ramp plane is determined through field survey. Geodetic data is used to constrain the surface deformation resulting from dislocation model. The simulation outcomes reveal that the Guangfu earthquake was triggered by the activity of CeRF. The CeRF experienced an eastward reverse slip of around 58 cm along the fault plane. This fault not only intersects LVF beneath the Coastal Range but also initiates the development of a ramp plane along pre-existing faults of LVF. This intricate interplay results in about 20 cm of uplift deformation within the Coastal Range. The linear connection observed in the simulation residuals is associated with faults within LVF system. This alignment corresponds to the ground distribution of ramp plane, suggesting that old faults within this area exhibit characteristics of reactivation in response to earthquake-induced processes.
Statewide analysis of U.S. Metal Waste and Industrial Residues Trade Dynamics from 2002 to 2022
Authors: Bourtsalas Athanasios 
Published: October 2023

Abstract

Amidst growing global apprehensions surrounding metal and mineral waste management and trade, this study aims to elucidate the patterns and impacts of such waste, focusing predominantly on the United States. Analyzing data from 2002–2022 for exports and 2008–2022 for imports, it explores state-specific trends, trade dynamics, and their environmental and economic implications. Results reveal the trade of approximately 430 million tons of materials, with 84% constituting exports. While ash, slags, and some metals exhibit a negative trade balance, commodities like Ferrous, Copper, and Aluminum waste and scrap display a notably positive trade balance. Distinct state preferences and international partnerships exist, with California and Washington emerging as leaders in exports and imports, respectively. Internationally, Turkey and China are the main recipients of U.S. exports, and Canada and South Africa are principal contributors to U.S. imports. Economic and environmental analyses reveal marginal advantages of electrorefining in metal recovery, emphasizing its environmental efficiency. Initial assessments of systems focusing on mineral recovery show negative differences, but inclusive of savings from resource extraction and waste avoidance, results are favorable. Conclusively, this study advocates for a shift in waste perception, emphasizing the need for innovative technologies, strategic policies, and international collaborations to unlock the untapped potentials in metal and mineral waste management, promoting global sustainability.
Exploring the Value of Combining Glucocorticoids with RAS Blockers and Modified Huangqi Chifeng Decoction in the Treatment of Moderate Proteinuria in IgA Nephropathy: A Propensity-Score Matching Study
Authors: Duan Hangyu , zhang qi , shi yue , zhang yu , shi xiujie , zhang yifan , liu jing , lou chengxin 
Published: October 2023

Abstract
Objective:
Utilizing propensity-score matching (PSM) to investigate the efficacy of combining glucocorticoids with Renin-Angiotensin System (RAS) blockers and Modified Huangqi Chifeng Decoction (MHCD) in treating moderate proteinuria in IgA nephropathy.
Methods:
Patients diagnosed with focal proliferative IgA nephropathy through renal biopsy and treated at the outpatient clinic of Xiyuan Hospital, China Academy of Traditional Chinese Medicine, from October 2012 to September 2022, were retrospectively analyzed. The control group received MHCD + RAS blockers therapy, while the observation group received MHCD + RAS blocker + glucocorticoid therapy. We used the PSM to eliminate the Confounding factors, five covariates such as gender, age, baseline blood pressure, baseline 24h urine protein quantification (24hU-TP), and baseline estimated glomerular filtration rate (eGFR) were selected to be matched 1:1 (with a caliper value of 0.01), and there were 65 cases in each group after matching. Clinical data of patients at 1, 3, and 6 months of treatment were collected and analyzed, and adverse reactions were recorded. 24hU-TP, Serum Creatinine (Scr), Blood Albumin (ALB), and eGFR were selected as the main clinical efficacy evaluation indexes.
Results:
Compared with the pre-treatment period, 24hU-TP and Scr decreased significantly in the observation group at all time points, ALB level increased significantly at 3 and 6 months of treatment, and eGFR increased at 6 months of treatment (P ＜ 0.05). Compared with the same period in the control group, the decrease in the levels of 24hU-TP and Scr at all time points was more significant in the observation group (P ＜ 0.05), and the elevated levels of eGFR and ALB were more significant in the observation group at 6 months of treatment (P ＜ 0.05). The mean eGFR rate of change (eGFR-Slope) in the observation group was higher than that in the control group after 6 months of treatment(P ＜ 0.05). There was no statistically significant difference in the occurrence of adverse reactions during treatment between the two groups.
Conclusions:
Combining glucocorticoids with RAS blockers and MHCD can significantly reduce urinary protein in patients with IgA nephropathy, potentially improving renal function and increasing ALB levels, while not increasing the risk of adverse reactions.
Structures under Multiple Design-Dependent Loads: Topology Optimization Enabled by Load Thresholding and Sensitivity Scaling
Authors: Ibhadode Osezua , Bonakdar Ali , Toyserkani Ehsan 
Published: October 2023

Abstract
Topology optimization of structures subjected to both design-independent loads, such as point forces and constant elevated temperatures, and design-dependent loads, including distributed temperature and pressure abound. However, fewer studies have addressed the optimization of structures when multiple design-dependent load cases interact. This study focuses on optimizing a rotating structure subject to an elevated temperature distribution and a point force. Firstly, we establish theoretical frameworks for thermoelastic stress loads, steady-state heat transfer, and rotational inertia loads. Secondly, we introduce the concept of load thresholding for managing complex load conditions. Thirdly, we develop a weighted multi-objective topology optimization framework and perform sensitivity analysis for a combination of design-dependent loads (centrifugal and thermoelastic stress loads) and design-independent point force. To enhance numerical stability, we incorporate scale factors into the consolidated sensitivity equation. Our results demonstrate that the adoption of load thresholding, sensitivity scaling, and reduced weight factors (typically below 0.5) for TSLs and centrifugal loads not only reduces numerical instabilities but also yields structures with lower compliance values and more distinctive topologies.