bluuebunny/crossref_metadata_2025_split huggingface dataset:
New Dual PDE1B and PDE10A Inhibitors Identified via Ligand-Based Pharmacophore Modelling and Virtual Screening
Authors: Soon Ching Wen , Gaurav Anand , Gautam Vertika 
Published: April 2023

Abstract
Context
Schizophrenia is a chronic neuropsychiatric disorder affecting over 1% of the world population. Current antipsychotic therapy shows inadequacy in mitigating the negative and cognitive symptoms, besides causing undesirable extrapyramidal side effects. Inhibition of PDE1B and PDE10A simultaneously can mitigate positive, negative, and cognitive symptoms. Thus, this study was aimed at identifying new dual PDE1B and PDE10A inhibitors using ligand-based pharmacophore modelling, virtual screening, and molecular docking.
Pharmacophore models for PDE1B and PDE10A produced Gunner-Henry (GH) scores of 0.83 and 0.71, respectively. Pharmacophore model based virtual screening and molecular docking led to the identification of UNPD167314 as the lead compound with good binding affinity for PDE1B (-8.4 kcal/mol) and PDE10A (-9.7 kcal/mol). The binding interactions include hydrophobic interactions with P-clamp and hydrogen bonding with invariant glutamine. Structural modifications resulted in the design of 51 novel inhibitors, with compound 18 exhibiting the highest binding affinity for both PDE1B (-10.6 kcal/mol) and PDE10A (-11.7 kcal/mol) following substitution of tertbutyl at R1, hydroxyl at R2, and carboxyl at R3.
Methods
LigandScout 4.4.8 was used to generate, validate, and refine the ligand-based pharmacophore models for PDE1B and PDE10A, followed by sequential virtual screening of the Universal Natural Products Database. The hits were screened further using DruLiTo software to ensure BBB penetration. Pan Assay Interference Compounds were removed using PAINS-Remover server. SwissADME and PreADMET were used to deduce pharmacokinetic parameters of the screened compounds. Finally, Molecular docking and visualization of the dual hits were performed using Autodock Vina 1.2.0, followed by structural modifications to improve interaction affinity.
Numerical Simulation of the saline water electrolysis process using electromagnetic waves
Authors: Eghbali Akbar , Karafi Mohammad Reza , Sadeghi Mohammad Hosein 
Published: April 2023

Abstract
The electromagnetic waves have been used to accelerate chemical reactions in comparison of conventional reactions. In this article, a numerical method has been used to compare saline water electrolysis (EL) and saline water electromagnetic electrolysis reactor (EMER) in order to realize the effect of electromagnetic waves on electrolysis process. At the first, the effect of electromagnetic waves on the ion separation has been investigated. In the following, influence of main operating parameters such as cell potential (10-16 v), salinity (110-440 mol/m³ NaCl), electrode diameters (8-20 mm), and microwave frequency (0.3-2.4 GHz) on the ion concentrations have been investigated numerically for an up-flow axisymmetric cylinder. Results have shown that an obvious enhancement has been occurred in ion separation due to electromagnetic irradiation. The dechlorination in EMER process has been improved dramatically in comparison with EL process. Also, the ion separation has been enhanced linearly by increasing the cell potential and initial salinity. Finally, the dechlorination of EMER has been improved slightly, by decreasing the frequency.
A Novel Ferroptosis-Related Genes Signature Correlates with the Prognosis and Tumor Immune Microenvironment in Lung Adenocarcinoma
Authors: Jia Jinghao , Yao Xuemin , Sun Lu , Liu Meiyue , Yang Chao , Wang Jing 
Published: April 2023

Abstract
Objective: Although great progress has been made in diagnosis and treatment of lung adenocarcinoma (LUAD), the clinical prognosis and overall survival of advanced LUAD are still poor. It has been proved that ferroptosis plays crucial role in LUAD. However, the prognosis of ferroptosis related genes (FRGs) in LUAD remains largely unclear. Thus, this study aims at exploring the FRGs signature in the prognosis of LUAD.
Methods: FGRs,the gene expression data, and GSE72094 and GSE68465 datasets was downloaded from FerrDb database, The Cancer Genome Atlas (TCGA), and The Gene Expression Omnibus (GEO) database. The survival analysis was analyzed by R package “survminer” using Kaplan-Meier curve and log-rank test. The model’s predictive ability was confirmed using receiver operator characteristics (ROC) curve. Immune and stromal score of tumor sample was calculated with the ESTIMATE algorithm. The infiltrating score of 16 immune cells and the immune-related pathways (13) activity was detected by single-sample gene set enrichment analysis (ssGSEA). The Tumor Immune Dysfunction and Exclusion (TIDE) and R package “OncoPredict” (v0.2) were applied to predict the potential response to immune checkpoint blockade and the half-maximal inhibitory concentration (IC50) of each drug, respectively.
Results: We constructed a novel 17 FRGs prognostic signature in LUAD, that show excellent predictive performance for the overall survival. Furthermore, we found that the high-risk group had a lower survival rate than that in the low-risk group. The ROC curve indicated the accuracy of the risk score model in judging the prognosis of LUAD. ESTIMATE and IC50 assay revealed that the risk scoring model was significantly associated with immune cell infiltration and response to targeted therapy.
Conclusion: 17 FRGs signature showed outstanding advantages in the LUAD prognosis and dysregulated immune cell infiltration, suggesting that it might be a therapeutic alternative for LUAD by targeting ferroptosis.
Peran Manushya dalam Mendukung Demokrasi di Thailand
Authors: Dewi Nevy Rusmarina 
Published: April 2023

Demonstrasi di Thailand berlangsung selama beberapa bulan pada tahun 2020 diprakarsai oleh generasi muda dan terpelajar yang pro-demokrasi. Mereka melakukan beberapa tuntutan, di antaranya pemecatan Perdana Menteri Prayut, menuntut perubahan konstitusi dan menuntut reformasi monarki untuk mengurangi kekuasaan Raja Maha Vajiralongkorn. Manushya foundation (Manushya) menjadi salah satu organisasi penggerak yang mengobarkan semangat demokrasi pada pemuda Thailand. Tujuan dari penelitian ini adalah untuk membahas peran yang dilakukan oleh Manushya dalam mendorong pemuda Thailand untuk melakukan demonstrasi pro-demokrasi. Penelitian ini menggunakan study library dengan metode kualitatif. Hasil penelitian menunjukkan bahwa gerakan Manushsya yang mengutamakan HAM di Thailand merupakan salah satu organisasi yang berhasil mendukung gerakan demonstrasi menuntut demokrasi di Thailand pada tahun 2022. Beberapa upaya yang dilakukan antara lain, yaitu dengan memposting ulang momentum demokrasi yang pernah terjadi pada peristiwa 14 Oktober 1973, memuat berita dukungan pro-demokrasi, memberitakan para biksu yang melakukan aksi pro-demokrasi, melakukan kritik terhadap kebebasan informasi yang dibatasi, serta meminta pemerintah untuk memperhatikan HAM para demonstran.
Effects of flaxseed on the nutritional and sensory qualities of pan and Arabic flat breads
Authors: Al-Hassawi Fatima , Al-Ghanim Jameela , Al-Foudari Mohammad , Al-Othman Amani , Sidhu Jiwan 
Published: April 2023

Flaxseed is a useful source of omega-3 fatty acid and many health-promoting phytochemicals. Baked products are extensively consumed in the Arabic countries. This study mainly aimed to improve the nutritional quality of pan and Arabic flat breads by adding whole and crushed flaxseed.
The study objects were pan and Arabic flat breads wholegrain and white wheat flour with whole or crushed flaxseed at different amounts. The proximate composition, texture, color characteristics, and sensory analysis were evaluated by standard methods.
The fat content increased in both the white wheat flour and in the wholegrain wheat flour pan breads with 8% of crushed flaxseed. The addition of 8% of crushed flaxseed to the white wheat flour bread also increased its specific loaf volume, while the addition of 8% of whole flaxseed significantly decreased the specific loaf volume of the wholegrain wheat flour bread. Crushed flaxseed did not affect the L* values, but significantly increased the a* values in the white wheat flour pan bread. Supplementing the white wheat flour pan bread with 8% of whole flaxseed decreased the compression force, thus indicating a softer texture. 8% of whole flaxseed significantly increased fat and protein contents of the white wheat and wholegrain wheat flour pan breads. Similar trends were observed for the Arabic breads, thus proving the enhancing effect of flaxseed on the nutritional quality of these baked products. The addition of crushed flaxseed to white wheat flour Arabic bread adversely affected its appearance and crust color, as well as significantly increased its ash, fat, protein, and dietary fiber contents. However, it did not have any adverse effect on the texture, flexibility, and flavor.
Flaxseed grains in the amount of 8% can be recommended to produce baked products with good sensory and nutritional qualities.
Assessing the functionality of water supply handpumps in a Sub-Saharan Africa rural environment: a practical application in eight councils in the Mvila Division, Southern Cameroon
Authors: Dang Mvongo Victor , Defo Célestin , Tchoffo Martin 
Published: April 2023

Abstract

This paper presents updated water handpump functionality estimates for eight councils in the Mvila Division, southern region of Cameroon. The methodological approach was based on a technical inspection of 647 water points (181 boreholes and 466 wells) and semi-structured interviews with 500 stakeholders, including 103 water point committee members, 389 water users, and 8 water experts. According to the findings, one out of every three hand pumps is inoperable. Based on this rate, approximately 1.3 billion CFA francs (approximately 2 million US dollars) invested by the government, communities, and development partners are immobilized and do not generate any benefit for affected rural communities. This high level of handpump non-functionality is due to the low economic viability of water point management, the poor functionality of water point committees, and the poorly structured handpump maintenance chain. The pooling of water point management at the scale of the Mvila Division appears to be an avenue to be explored to improve the functionality of the handpump.
Quantifying the streamflow change and influencing factors with a spatio-temporal coupling analysis framework
Authors: Zhou Zehui , Yu Lei , Wu Xiufeng , Zhang Luchen , Luo Shaoze , Zhang Yu , Yong Bin , Sheng Junqi 
Published: April 2023

AbstractStreamflow change and its influencing factors are synchronous and correlated in temporal and spatial scales. The aim of this study is to develop a spatio-temporal coupling analysis framework for quantifying streamflow change and its influencing factors was established. Specifically, the Mann–Kendall test, Pettitt's test, hierarchical cluster analysis, and Ripley's L-function were jointly used to study the spatial heterogeneity of the temporal evolution of streamflow; and the Soil and Water Assessment Tool (SWAT) model was employed to quantify the impacts of climate and human activities on streamflow change. The preliminary application in the Dawen River Basin (China) case has shown that (1) the natural streamflow change in the basin during 1953–2013 is mainly affected by climate change–human activities, followed by climate change and human activities, accounting for a total area of 52.04, 24.90, and 23.06%, respectively; and (2) the vast majority of sub-basins with relatively large natural streamflow change are mainly driven by climate change (i.e., precipitation). In general, the proposed framework can effectively reflect the spatio-temporal patterns of streamflow change and its influencing factors, which can provide a theoretical basis for water resources management in the context of global change.
Butea monosperma (Lam.) Taub: Review on its chemistry, morphology, ethnomedical uses, phytochemistry and pharmacological activities
Authors: Jain Sourabh , Dubey P. K. 
Published: April 2023

Plants have been employed for their therapeutic and aesthetic benefits since ancient times. Traditional herbal medicine is well-documented and practised in India. The goal of the current review is to provide current information on botany, morphology, ecological biodiversity, medicinal uses, phytochemistry, and pharmacological activity on various portions of Butea monosperma (Lam.) Taub because there haven't been many studies done on it (B. monosperma). Technical literature from electronic search engines like Springerlink, BioMed Central, PubMed, Scopus, ScienceDirect, Scielo, Medline, and Science domain was used to compile this review. Books, book chapters, dissertations, websites, and other scientific publications served as the source of the supplemental texts. B. monosperma, a member of the Fabaceae family, is found throughout the Indian Subcontinent and Southeast Asia, including in Bangladesh, Nepal, Sri Lanka, Myanmar, Thailand, Laos, Cambodia, Vietnam, Malaysia, and western Indonesia. It is also known as Flame of the Forest, Dhak, Palash, or Bastard teak. It is an herb that has long been used voluntarily in traditional Asian treatments. It has been used to treat a variety of illnesses, including diabetes, cancer, diarrhoea, dysentery, fever, and jaundice. Recent in vivo and in vitro research have shown that it has hepatoprotective, anti-cancer, anti-diabetic, anti-inflammatory, anti-asthmatic, anti-oxidant, anti-convulsant, and anti-microbial effects. Many phytochemicals, primarily flavonoids, lactones, diterpenoids, diterpene glycosides, and phytosterols, are present in the plant's aerial portion. Bark produces a red fluid called "Butea gum" or "Bengal kino" that is produced. This complementary medical approach is becoming more and more well-known worldwide. Isolating the active components, testing them biologically, understanding their molecular mechanisms, mounting an experimental defence, and getting B. monosperma's medicinal usage approved are all necessary. The information gathered will be required to identify up study protocol for modern medications and Ayurveda formulation extension in luxurious and remedial a number of illnesses. To further validate the claims on humans, clinical trials for the stated preclinical investigations should be started right away.
Keywords: Butea monosperma, Fabaceae, Phytochemistry, Pharmacological activity, Ethno medical uses.
Unraveling the Multi-Target Pharmacological Mechanism of Brassica rapa in Diabetes Treatment: Integration of Network Pharmacology and Molecular Docking Approaches
Authors: Suresh Kumar Gopal , Manivannan Rangasamy , Nivetha Balasubramaniyan , Kamalakannan Dhanabalan , Bhuvaneshwari Kannan , Ammu Ramamurthy , Aravinthan Arumugam , Anitha Kuppusamy , Dinesh Kumar Vijayakumar 
Published: April 2023

Brassica rapa has been widely reported as an anti-diabetic plant and is widely used in traditional medicine for the treatment of various disorders. However, the molecular mechanism underlying the plant's anti-diabetic activity has not been elucidated. Therefore, the present study aimed to investigate the possible molecular mechanism of B.rapa for managing diabetes mellitus through network pharmacology and molecular docking studies. The active ingredients and associated target proteins were obtained from a literature review and the Swiss Target Prediction platform and validated using the PubChem database. The disease-associated genes were retrieved from the Genecard database. The B. rapa-DM target network was analyzed using the STRING database, and the results were integrated and visualized using Cytoscape software. The molecular mechanism and therapeutic effect of B.rapa for the treatment of DM were determined by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses using the Enrichr Platform. Fifty-two active ingredients were screened from B. rapa, and 1528 putative target genes were identified from these ingredients. Four hundred and fifty-four overlapping targets matched with DM were considered potential therapeutic targets. First, ten key targets (ALB, AKT1, TNF, GAPDH, MAPK3, EGFR, VEGFA, CTNNB1, CASP3, and STAT3) were found by topological analysis. Then, the results of GO and KEGG suggested that the anti-diabetes effect of B. rapa was strongly associated with the AGE-RAGE signaling pathway in diabetic complications, Neuroactive ligand-receptor interaction, Lipid and atherosclerosis, PI3K-Akt signaling pathway, and Calcium signaling pathway. The AKT1 (Serine/Threonine Protein Kinase) enzyme is targeted by major bioactive constituents of B.rapa. Molecular Docking studies revealed that Liquiritin (docking score -6.1 Kcal/mol) showed the highest binding affinity with AKT1. These results suggest that Brassica rapa may play a role in regulating several pathways that are involved in the development of Diabetes Mellitus.
Keywords: Network pharmacology, molecular mechanisms, Brassica rapa, Diabetes Mellitus (DM)
Novel Applications of Hot Melt Extrusion Technology
Authors: Samanthula Kumara Swamy , Kemisetti Durgaprasad , Mandhadi Jithendar Reddy , Thalluri Chandrashekar , Dey Biplab Kumar 
Published: April 2023

Hot melt extrusion (HME) technology was introduced to pharmaceuticals in the 1970s for manufacturing and product development. Since then, there were several developments in HME technology to utilize it effectively for the manufacturing of pharmaceuticals. Though the primary purpose of HME technology remains to be solubility enhancement through the preparation of amorphous solid dispersions, it also has various other applications like dry granulation, abuse-deterrent formulation, continuous manufacturing, film preparation, implants, sustained release formulations, etc. The purpose of this review article is to consolidate the information related to applications of HME technology in the pharmaceutical industry.
Keywords: Hot melt extrusion, poorly soluble drugs, continuous manufacturing, solid orals, and applications.
Formulation Development and Evaluation of Sustained Release Ranolazine Microbeads using Natural Polymer
Authors: Dhone Shubham Dattarao , Kumawat Nikita Suresh , Kharat Dhanshree Raju , Parashar Komal Satish , Jagatap Vilas Raghunat , Sonawane Raju Onkar 
Published: April 2023

The goal of this study was to develop sustained-release microbeads containing Ranolazine. The Ranolazine was selected on the basis of its short half-life i.e., 1.5 h and used in treatment of Angina pectoris. The fundamental goal of this research is to increase duration of drug release. Ranolazine was encapsulated with natural polymers such as Hygrophila auriculata seed mucilage by an ionotropic gelation technique. The formulation batches were optimized with a 32 factorial design and physicochemical characteristics were also evaluated. The particle size of microbeads, entrapment efficiency of drug, surface morphology, In-vitro release of drug was investigated.
The in-vitro studies of optimized microbeads formulation batch (B2) containing 100:600 ratio of Hygrophila auriculata seed mucilage and sodium alginate exhibited as a sustained release of Ranolazine up to 12 h and. The mucoadhesion potential was found to be 97± 1% up 12 h. In our perspective, the current ER pellet formulation might be the most feasible alternative to traditional pain management formulas.
All the trial’s batches were shown to be suitable in extended release of a short elimination half-life medication with enhanced bioavailability, implying that it is useful for oral drug delivery.
Keywords: Design of experiment, Extrusion-spheronization, Ionic gelation, Microbeads, Ranolazine,
Seroprevalence and Risk Factors of Toxoplasmosis in Cats and Women Undergoing Prenatal Consultation in Coyah, Guinea
Authors: KONATE Yacouba , GOUMOU Pé , SOROMOU Lanan Wassy , DIALLO Alpha Oumar Sily , KABA Lancei , KEYRA Mohamed , CAMARA Mamadou Fodé. , SIDIME Youssouf 
Published: April 2023

The objective of this study is to describe the epidemiological situation of toxoplasmosis in cats and women undergoing prenatal consultation in the city of Coyah (Guinea). During the study, 100 cat sera and 100 sera from women in prenatal consultation were analyzed with a Toxo-Screen DA (Modified Antigen Agglutination Test) kit. The results indicated prevalences of 73%±8.7 in antenatal women and 51%±9.8 in cats. There was no association found between the variables and Toxoplasma gondii seroprevalence in prenatal females and cats.
Keywords: Cat; women in prenatal consultation; Toxoplasma gondii; Coyah; Guinea.
Express method for particle size analysis in solid, liquid, and amorphous materials using 3D calibration curve and 2D-DLS dynamic light scattering
Authors: Kolyabina Ekaterina , Maksimova Tatyana , Syroeshkin Anton 
Published: April 2023

This study proposes a new method for particle size studying based on the use of topological descriptors for various media and types of matter. The sizes of supramolecular particles in water-lactose complexes were studied using the diffuse dynamic light scattering (DLS) method. Mist-Standart latex balls were used to generate a 3D calibration curve, followed by empirical particle size determination. In order to confirm the output, the resulting sizes were compared for a number of silver proteinate solutions, preliminary analyzed by laser light scattering (using ZetaSizer equipment by Malvern Instruments Ltd, UK). The new method uses a simplified procedure, provides a quick solution and may be used for both quality control of cloudy and opaque medicinal substances and excipients as well as in other fields of nanotechnology.
Keywords: nanoparticles, particle size, silver proteinate, latex nanoparticles, dynamic light scattering