This study investigates for the first time the effects of reinforcing epoxy composites with Jute, Filass.A, and Filass.B fibers (JFs, FAFs, FBFs) on mech. and morphol. properties, including tensile, flexural, and impact strength, void content, and water absorption.The hybrid composites were fabricated using compression molding techniques with different fiber volume fractions.SEM (SEM) anal. was conducted to examine the bonding behavior and internal structure of the fractured surfaces.Mech. characterization through tensile testing demonstrated that the inclusion of these fibers enhanced the composite′s mech. performance.Specifically, hybrid composites such as (JFs/FAFs), (FAFs/FBFs), (JFs/FBFs), and (JFs/FAFs/FBFs) displayed improved tensile strength, with the (JFs/FAFs/FBFs) combination achieving the highest tensile value of 19.08 MPa and highest impact value of 18.99 J.Addnl., increasing the fiber content led to higher water absorption and thickness swelling, with the (JFs/FAFs/FBFs) composite showing the greatest values.Overall, the study concludes that hybridization improves the mech. properties, especially flexural performance, of epoxy-based composites.

2025-06-01·Journal of Molecular Graphics and Modelling

Computational discovery of novel PI3KC2α inhibitors using structure-based pharmacophore modeling, machine learning and molecular dynamic simulation

Article

作者: Abadleh, Mohammed ; Taha, Mutasem ; Adel, Ahmed ; Daoud, Safa ; Katrib, Bana

PI3KC2α is a lipid kinase associated with cancer metastasis and thrombosis. In this study, we present a novel computational workflow integrating structure-based pharmacophore modeling, machine learning (ML), and molecular dynamics (MD) simulations to discover new PI3KC2α inhibitors. Key innovations include the generation of diverse pharmacophores from both crystallographic and docking-derived complexes, coupled with data augmentation via ligand conformational sampling to enhance ML robustness. The optimal model, developed using XGBoost with genetic function algorithm (GFA) and Shapley additive explanations (SHAP), identified four critical pharmacophores and three descriptors governing bioactivity. Virtual screening of the NCI database using these pharmacophores yielded three hits, with H_1 (NCI: 725847) demonstrating MD-derived binding stability and affinity comparable to the potent inhibitor PITCOIN1 (IC₅₀ = 95 nM). This study represents the first application of a conformation-augmented ML framework to PI3KC2α inhibition, offering a blueprint for targeting underexplored kinases with limited structural data.

2025-06-01·Current Nutrition & Food Science

Date Palm Fruit (Phoenix dactylifera L.) Ameliorated Some Premenstrual Symptoms: Results from an Intervention Trial for 5 Consecutive Menstrual Cycles

作者: Takruri, Hamed R. ; Hamed, Nour M. ; Rizeq, Lana T. ; Takruri, Dima H. ; Sweidan, Dima H. ; Al-Sayyed, Hiba F. ; Bakir, Nawal A.

Introduction/Objectives:Premenstrual syndrome (PMS) is the group of symptoms that occur before menses and remit after that. The pathophysiology of PMS is related to hormonal disturbances. Date palm fruit (Phoenix dactylifera L.) has many functional properties that are beneficial for women's health. This study aimed to investigate the effect of feeding dates on PMS symptoms.Methods:The fruit was fed conveniently to 36 volunteers, 16 and 20 in the control and dates groups, respectively. To monitor PM symptoms, a questionnaire was developed, validated, and tested for reliability.Results:Results of this research yielded a valid (KMO, Barlett factor, and x2 test values of 0.541, <0.001, and 0.105 respectively) reliable (Cronbach’s-α value= 0.761) questionnaire. Feeding dates caused earlier onset of mood changes (0.017*), heavy bleeding (0.012*), and bleeding clots (0.025*). The onset of mood changes correlated significantly (P=0.048*) and negatively (r2= - 0.347) with luteinizing hormone. Additionally, prolactin was correlated significantly and negatively with the onset of abdominal cramps. Within the same line, progesterone was correlated negatively with vaginal secretions (r2= - 0.389, P=0.016*). On the other hand, breast tenderness was correlated (r2=0.391) significantly (P=0.022*) with 17-β-estradiol.Conclusion:This study showed an ameliorating effect of dates on some PMS symptoms, i.e., abdominal cramps, mood changes, heavy bleeding, vaginal secretions, and bleeding clots.

100 项与 University Of Petra 相关的药物交易

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100 项与 University Of Petra 相关的转化医学

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