Journal of King Saud University - Science最新文献

{"title":"HLA-G gene polymorphisms as predictors of survival in colorectal cancer: A unified machine learning approach","authors":"Marwa Hasni ,&nbsp;Sabrine Dhouioui ,&nbsp;Nadia Boujelbene ,&nbsp;Youssef Harrath ,&nbsp;Abdel Halim Harrath ,&nbsp;Mohamed Ali Ayadi ,&nbsp;Ines Zemni ,&nbsp;Safa Bhar Layeb ,&nbsp;Ines Zidi","doi":"10.1016/j.jksus.2024.103564","DOIUrl":"10.1016/j.jksus.2024.103564","url":null,"abstract":"<div><h3>Objectives</h3><div>Human Leukocyte Antigen (HLA-G) is a potent molecule involved in immune-tolerance. Here, we investigated the contribution of HLA-G gene polymorphisms (14 bp Ins/Del and +3142C/G) for accurate prediction of colorectal cancer (CRC) overall survival (OS) status. Our study presents a comprehensive investigation of the prognostic value of HLA-G genotypes and haplotypes in predicting OS status in 266 Tunisian patients with CRC.</div></div><div><h3>Methods</h3><div>We used a machine learning (ML)-based framework described below: (1) A dimensionality reduction approach was used to examine evidence of an association between HLA-G genotypes and OS status. (2) Decision-tree ML models were used to explore the performance of the HLA-G genotype as a relevant contributing feature to accurately predict OS status.</div></div><div><h3>Results</h3><div> <!-->HLA-G polymorphisms were highly predictive of OS status when a random forest classifier was used. The HLA-G 14 bp Ins/Del polymorphism outperformed the HLA-G + 3142C/G polymorphism as a predictor of OS. The Del/Del genotype was associated with worse OS and the G/G genotype was associated with favorable OS. The InsC haplotype predicted a favorable prognosis, and the DelG haplotype predicted a worse OS. The combined prediction demonstrated, with 100 % precision and high accuracy, that Del/Del genotype associated with key clinical features, can efficiently predict worse OS. The results were evaluated through an external validation process to ensure their reliability.</div></div><div><h3>Conclusions</h3><div>We demonstrated the potential of HLA-G gene polymorphisms as robust candidate biomarkers to predict OS in CRC patients. The research on the HLA-G gene presents a promising avenue for developing an innovative decision-making tool to identify candidates for personalized therapeutic interventions.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103564"},"PeriodicalIF":3.7,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152554","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comparative study of PS and PES and their sulfonated forms in antifouling behavior and rejection efficiency","authors":"Ibrahim Hotan Alsohaimi","doi":"10.1016/j.jksus.2024.103576","DOIUrl":"10.1016/j.jksus.2024.103576","url":null,"abstract":"<div><div>In this study, novel hybrid ultrafiltration (UF) membranes were developed using polyethersulfone (PES), polysulfone (PS), and their sulfonated counterparts (SPES and SPS) to enhance water flux and antifouling properties. FTIR and XRD analyses validated the successful incorporation of sulfonate groups and structural changes, while SEM images revealed more porous and uniform membrane structures. Thermogravimetric analysis (TGA) showed enhanced thermal stability for the sulfonated membranes. Mechanical property evaluations demonstrated that the sulfonated membranes maintained good tensile strength and flexibility. Water uptake and porosity measurements indicated increased hydrophilicity and porosity for SPES and SPS membranes compared to their pristine forms. The pure water flux of SPES (130 L/m²·h) is significantly higher compared to PES (110 L/m²·h). The sulfonated membranes (SPS and SPES) exhibit significantly enhanced antifouling properties, as demonstrated by the improved flux recovery ratios (FRR) for SA, BSA, and HA compared to their non-sulfonated counterparts (PS and PES), reaching up to 75 % for SPES. The rejection performance for BSA, HA, and SA solutions showed that SPES membranes achieved 95 %, 90 %, and 92 % rejection rates, respectively, compared to 80 %, 75 %, and 70 % for PS membranes. Fouling resistance tests using BSA, HA, and SA solutions showed that SPES and SPS membranes had significantly higher flux and lower fouling tendencies.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103576"},"PeriodicalIF":3.7,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152107","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"New best proximity point results on orthogonal F-proximal contractions with applications","authors":"Gunaseelan Mani ,&nbsp;Raman Thandavarayan Tirukalathi ,&nbsp;Sabri T.M. Thabet ,&nbsp;Miguel Vivas-Cortez","doi":"10.1016/j.jksus.2024.103562","DOIUrl":"10.1016/j.jksus.2024.103562","url":null,"abstract":"<div><div>In this work, we propose the ideas of orthogonal <span><math><mi>F</mi></math></span>-proximal contraction mappings, generalized orthogonal <span><math><mi>F</mi></math></span>-proximal contraction mappings and establish several best proximity point theorems in an orthogonally complete metric space (<span><math><mi>OCMS</mi></math></span>) through a non-self mapping. Hence, utilizing these recently discovered results, numerous of the existing findings in the literature are generalized or expanded. An illustration is provided to highlight the utility of our findings. Finally, for illustrative applications, we discuss the qualitative properties of the solutions for a fractional boundary value problem in the Caputo sense, and we study the dynamic economic equilibrium problem.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103562"},"PeriodicalIF":3.7,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152106","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Solvent role in molecular structure level (TD-DFT), topology, and molecular docking studies on liquid 2′, 4′-dichloroacetophenone","authors":"S. Mallika ,&nbsp;B. Revathi ,&nbsp;V. Balachandran ,&nbsp;Natarajan Elangovan ,&nbsp;Ling Shing Wong ,&nbsp;Saminathan Kayarohanam ,&nbsp;Natarajan Arumugam ,&nbsp;Sinouvassane Djearamane","doi":"10.1016/j.jksus.2024.103574","DOIUrl":"10.1016/j.jksus.2024.103574","url":null,"abstract":"<div><div>The study investigated the structure, spectroscopy, and chemical reactivity of 2′,4′-dichloroacetophenone using DFT and Hartree-Fock (HF) methods. The B3LYP and LC DFT (CAM-B3LYP) methods were applied to a 6–311++G (d, p) basis set combination. The bond angles and bond lengths are appraised in depth to understand the geometrical framework. The FT-IR and FT-Raman spectra of the respective compound<!--> <!-->were analyzed within the regions of 4000–400 cm⁻¹ respectively. The experimental spectra were compared and discussed in connection with the theoretical spectrum. The VEDA program was implemented to accomplish the vibrational assignments of all the fundamentals highlighted using the PED analysis. TD-DFT level was used to explore the essential electronic properties of LUMO and HOMO energies. To forecast reactive sites, the MEP surface was examined. NBO was computed according to the compound’s reactivity and biological requirements. The Multi-Wave Function Analyzer 3.6 was designed to examine and compare topological inquiries, specifically focusing on the LOL and ELF. The detailed investigation specifies the drug likeness and molecular docking that assisted in the prediction of the physicochemical, pharmacokinetic, and biological availability of 2′,4′-dichloroacetophenone.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103574"},"PeriodicalIF":3.7,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152108","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nanomedicine for ovarian cancer: Enhancing pharmacokinetics and biodistribution","authors":"Salina Saddick","doi":"10.1016/j.jksus.2024.103584","DOIUrl":"10.1016/j.jksus.2024.103584","url":null,"abstract":"<div><div>Ovarian cancer continues to pose a substantial healthcare obstacle, demanding the development of novel strategies to improve therapeutic results. Nanomedicine’s introduction has created novel opportunities for the targeted delivery of drugs in the treatment of ovarian cancer. This review article presents a thorough examination of the pharmacokinetics and biodistribution of nanoparticles designed to target ovarian cancer, emphasizing their capacity to significantly transform therapeutic approaches. Furthermore, we investigate the function of nanoparticles as vehicles for precise pharmaceutical administration, placing particular emphasis on the benefits they offer in comparison to traditional methodologies. We explore the intricacies of biodistribution, including the influence of formulations, surface modifications, and nanoparticle size on their internal distribution. In addition, we provide a comprehensive analysis of the importance of pharmacokinetics in the enhancement of drug delivery. This includes a synopsis of critical parameters including absorption, distribution, metabolism, and excretion, and their connection to the therapeutic effectiveness of nanoparticle-based approaches for ovarian cancer. A fundamental component of this review is a critical evaluation of the approaches utilized to improve the biodistribution and pharmacokinetics of nanoparticles designed to target ovarian cancer. Moreover, we have highlighted significant research studies and clinical trials of the in vivo behavior of nanoparticles and their practical applications. Nevertheless, we refrain from obfuscating over the extant obstacles and constraints, such as possible toxicity issues and impediments to the process of clinical translation. The paper concludes by engaging in a discussion on emerging technologies and future prospects, with a specific emphasis on the potential of personalized medicine in the context of ovarian cancer treatment.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103584"},"PeriodicalIF":3.7,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143153471","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comments on: Effects on magnetic field in squeezing flow of a Casson fluid between parallel plates","authors":"Joshua Liam Lam,&nbsp;Christopher C. Tisdell","doi":"10.1016/j.jksus.2024.103561","DOIUrl":"10.1016/j.jksus.2024.103561","url":null,"abstract":"<div><div>Ahmed et al. (2017) examined the dynamics of a Casson fluid squeezed between two parallel plates where the fluid was also subjected to a constant magnetic field. Therein they claimed to derive a fourth-order boundary value problem from the general governing equations whose solution could be used to form the fluid’s velocity components. The purpose of the present note is to place the ideas in Ahmed et al. (2017) under scrutiny. In doing so we raise some doubts regarding some of the forms therein.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103561"},"PeriodicalIF":3.7,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152537","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phytochemicals of Withania coagulans (Stocks) Dunal against androgen receptor: An in silico insight","authors":"Ram Lal Swagat Shrestha ,&nbsp;Jhashanath Adhikari Subin","doi":"10.1016/j.jksus.2024.103558","DOIUrl":"10.1016/j.jksus.2024.103558","url":null,"abstract":"<div><h3>Objectives</h3><div>The androgen receptor is considered a magic target due to its involvement in multiple pathways leading to several maladies and its accessibility for small molecules to bind to it and modulate its normal functioning. The phytochemicals from the plant, Withania coagulans (Stocks) Dunal (common name: Rishyagandha) with traditional practice in healing different diseases were investigated in this regard. The higher safety profile and cost-effective features of plant-based resources in the design and development of drug like candidates seems to be worthy of exploration in the realm of alternate therapeutic options.</div></div><div><h3>Methods</h3><div>Several computational methods involving flexible receptor molecular docking calculations and molecular dynamics simulations were carried out. Spatially and thermodynamically stable adducts with best docking scores were identified using various parameters extracted from the molecular dynamics trajectory to find the hit candidates capable of inhibiting or disrupting the normal functioning of the target protein leading to the cure of the disease. The server based ADMET prediction was performed to comprehend the druglikeness, bioavailability, and toxicity profile of different phytochemicals.</div></div><div><h3>Results</h3><div>The molecule, 24-Methyl-9,19-cyclolanost-25-en-3-ol (PubChem CID: 185036) showed the binding score of −10.726 kcal/mol against androgen receptor (PDB ID: 1E3G) better than that of the native ligand, 17-β-hydroxy-17-methylestra-4,9,11-trien-3-one (PubChem CID: 261000) with −10.268 kcal/mol and selected anticancer drugs (best value of -10.080 kcal/mol for darolutamide). Withacoagulin I (PubChem CID: 71720665) displayed the binding score of −10.108 kcal/mol and was considered the second top molecule. The stability of the protein-phytochemical adducts as calculated from 200 ns long molecular dynamics simulations revealed good geometrical intactness from multiple spatial descriptors (root mean square deviation, radial pair distribution function, and hydrogen bond distribution) and sustained thermodynamical spontaneity from binding free energy changes of the protein-ligand complexes. The pharmacokinetics and pharmacodynamics showed acceptable druglike properties, good bioavailability and safety comparable with that of the reference drugs.</div></div><div><h3>Conclusions</h3><div>The hit molecules could be considered as possibly capable of inhibiting the target protein that would perform as anticancer agents and are recommended for further experimental trials for the verification of theoretical inferences.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103558"},"PeriodicalIF":3.7,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152546","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Role of TRAF1 gene polymorphisms in susceptibility to Acute Lymphoblastic Leukemia in Saudi patients","authors":"Fadwa M. Alkhulaifi ,&nbsp;Jamilah Alshammari ,&nbsp;Hussah M. Alobaid ,&nbsp;Fatimah Basil Al-Mukaynizi ,&nbsp;Safa A. Alqarzae ,&nbsp;Suliman Alomar","doi":"10.1016/j.jksus.2024.103582","DOIUrl":"10.1016/j.jksus.2024.103582","url":null,"abstract":"<div><div>Acute Lymphoblastic Leukemia (ALL) is a genetic malignancy characterized by the uncontrolled proliferation of hematopoietic precursor cells and evasion of immune surveillance. This study investigates the association between TRAF1 gene polymorphisms and the risk of developing ALL. Understanding the role of single nucleotide polymorphisms (SNPs) in the TRAF1 gene, which has been previously implicated in various immune-related disorders, may provide valuable insights into the molecular mechanisms of ALL and help identify potential therapeutic targets. A total of 265 subjects were recruited for this study, comprising 150 ALL patients and 115 healthy controls. Genotyping was performed using TaqMan PCR, focusing on four TRAF1 SNPs: rs2239657G/A, rs2416804G/C, rs7021049G/T, and rs3761847G/A. The minor allele frequencies and genotype distributions were compared between groups, with relative risks and statistical differences evaluated. Additionally, TRAF1 mRNA expression levels were assessed in both ALL patients and healthy individuals using qRT-PCR. The results demonstrated a significant association between the TRAF1 rs2239657G/A polymorphism and an increased risk of ALL, while the rs2416804G/C polymorphism was associated with a significantly reduced risk. Notably, TRAF1 was overexpressed in ALL patients, indicating its potential role in the pathogenesis of ALL. This overexpression suggests that TRAF1 may contribute to the interaction between inflammation and oncogenesis, providing new insights into the disease’s progression and highlighting TRAF1 as a possible biomarker for therapeutic intervention.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103582"},"PeriodicalIF":3.7,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143153472","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Review: Merging from traditional to potential novel breast cancer biomarkers","authors":"Hanan Alismail","doi":"10.1016/j.jksus.2024.103551","DOIUrl":"10.1016/j.jksus.2024.103551","url":null,"abstract":"<div><div>Breast cancer biomarkers are the main player in decision-making in diagnosis, prognosis, and treatment. Estrogen receptor (ER), progesterone receptor (PR), and human epidermal growth factor receptor 2 (HER2) are well-known in breast cancer management. Additionally, the Ki-67 protein is used as a tumor proliferation indicator to asses the cancer aggressiveness. Recently, the field has been rapidly integrating novel biomarkers to develop precise, personalized with high effectiveness in patient care. A group of merging biomarkers, including genomic and transcriptomic signatures, circulating tumor cells (CTCs), cell-free DNA (cfDNA), tumor-infiltrating lymphocytes (TILs), and immune checkpoint proteins such as PD-L1, all showed promising toward revealing tumor behavior, treatment response, and potential metastatic spread. microRNAs (miRNAs) and long non-coding RNAs (lncRNAs) are merging as new potential diagnostic tools. All mentioned merging innovative biomarkers showed promising results, yet challenges remain in their validation, standardization, and integration into routine clinical practice. This review will highlight the transition from traditional to novel strategies, developing more effective treatments that improve breast cancer patients’ outcomes and survival.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103551"},"PeriodicalIF":3.7,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142721485","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Short-term wind power prediction based on IBOA-AdaBoost-RVM","authors":"Yongliang Yuan ,&nbsp;Qingkang Yang ,&nbsp;Jianji Ren ,&nbsp;Kunpeng Li ,&nbsp;Zhenxi Wang ,&nbsp;Yanan Li ,&nbsp;Wu Zhao ,&nbsp;Haiqing Liu","doi":"10.1016/j.jksus.2024.103550","DOIUrl":"10.1016/j.jksus.2024.103550","url":null,"abstract":"<div><div>This study introduces an innovative model, namely IBOA-AdaBoost-RVM, which leverages the Improved Butterfly Optimization Algorithm (IBOA), Adaptive Boosting (AdaBoost), and Relevance Vector Machine (RVM). This model is used to solve the problem of low precision of wind power prediction. Initially, normalization is applied to reduce the influence of varying data dimensions. Subsequently, input variables are determined through the Pearson correlation method. Lastly, the efficacy of the introduced model is assessed across four distinct seasonal monthly data sets. The observed outcomes indicate that the proposed model outperforms other models in terms of evaluation metrics, with the average <em>R²</em>, <em>RMSE</em>, <em>MAE</em>, and <em>MAPE</em> values across the four datasets being 0.954, 10.403, 7.032, and 0.645, respectively, show that the proposed method has potential in the field of wind power prediction.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103550"},"PeriodicalIF":3.7,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142700808","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}