jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Puspa Hening | Nurina Tahta Afwi Maulina | Andini Kusuma Putri
Source: International Journal of Research and Review (article, 2025-06-17)
Field: Chemistry — Organic Chemistry

Network Pharmacology and Pathway Enrichment Analysis of Murraya koenigii Phytochemicals Reveals Multitarget Potential Against Breast Cancer Murraya koenigii (curry leaf) is a medicinal plant traditionally used in South Asian medicine and known to contain bioactive carbazole alkaloids with reported anticancer potential. This study aimed to evaluate the molecular mechanisms and multi-target potential of five key phytochemicals from M. koenigii such as: Koenimbine, Koenidine, Mahanimbine, Murrayazoline, and O-methylmurrayamine A, in the context of breast cancer, using a network pharmacology and pathway enrichment approach. Target prediction was performed using SwissTargetPrediction, and breast cancer–associated genes were retrieved from the GeneCards database. Intersection analysis revealed 21 overlapping genes, including major oncogenic drivers such as EGFR, ERBB2, PIK3CA, AKT1, CDK2, and AR. These targets are known to play central roles in tumor cell proliferation, hormone receptor signaling, survival, and therapeutic resistance. Functional pathway enrichment using ShinyGO demonstrated that the overlapping genes were significantly enriched in key breast cancer–related pathways, including PI3K-Akt signaling, MAPK signaling, endocrine resistance, ErbB signaling, and cell cycle control. Network visualization in Cytoscape further revealed that the phytochemicals engage interconnected targets, supporting the hypothesis of a polypharmacological mechanism. Taken together, these findings suggest that M. koenigii phytochemicals possess the potential to modulate multiple hallmarks of breast cancer through simultaneous interaction with diverse but functionally convergent targets. The study provides a systems-level framework for understanding the therapeutic promise of M. koenigii and establishes a strong foundation for further experimental validation in breast cancer models, particularly those resistant to conventional monotherapies. Keywords: breast cancer, Murraya koenigii, network pharmacology, phytochemicals, target prediction. Murraya ; Breast cancer ; PI3K/AKT/mTOR pathway ; Computational biology ; Signal transduction ; Biology ; Context (archaeology) ; ErbB ; Protein kinase B ; Pharmacology ; Cancer ; Cancer research ; Traditional medicine ; Medicine ; Genetics Synthesis and biological activity ; Genomics, phytochemicals, and oxidative stress ; Computational Drug Discovery Methods
Authors: Charles Antonio Ost | Heitor Luiz Ornaghi | Diego Piazza | Ademir J. Zattera
Source: ACS Applied Polymer Materials (article, 2025-08-31)
Field: Materials Science — Polymers and Plastics

Pressure–Volume–Temperature and Two-Domain Tait Model as a Characterization Tool of Hybrid Polypropylene/Glass-Fiber/Graphene Composites for Injection Molding Dimensional control in injection-molded polypropylene (PP) parts remains challenging when conventional characterization overlooks pressure-dependent behavior. In this study, neat polypropylene (PP) and three composite formulations─PP + 10 wt % glass fiber (GF), PP + GF + 2 wt % maleic-anhydride-grafted PP (MAPP), and PP + GF + MAPP + 0.125 wt % graphene nanoplatelets (GNP)─were compounded, injection-molded, and systematically analyzed. Isothermal pressure–volume–temperature (PVT) measurements were fitted with the two-domain Tait equation, while flexural, creep, and DSC and SEM tests provided complementary property maps. GF decreases low-pressure volumetric shrinkage by ∼2.5 percentage points and doubles Young’s modulus. MAPP further reduced melt compressibility and increased flexural strength, while GNP increased the crystallinity without extra shrinkage. Overall, the Tait parameters revealed complementary structure–property trends, demonstrating an alternative use for PVT-analysis data and offering a potential tool for optimizing hybrid composites. Materials science ; Composite material ; Polypropylene ; Molding (decorative) ; Volume (thermodynamics) ; Characterization (materials science) ; Graphene ; Glass fiber ; Fiber ; Thermodynamics ; Nanotechnology Polymer Foaming and Composites ; Polymer crystallization and properties ; Injection Molding Process and Properties
Authors: Chun Fang | Runhong Shen | Meng-Di Yuan | Zheng-xu | Weichang Ye | Sheng Dai | Di Wang
Source: Scientific Reports (article, 2025-04-06)
Field: Chemistry — Analytical Chemistry

VGG-MFO-orange for sweetness prediction of Linhai mandarin oranges Mandarin orange is a popular fruit in China and known worldwide for its unique flavor and nutritional benefits. As consumer demand for fruit quality increases, the fine assessment and grading of fruit sweetness-especially through non-destructive testing techniques-are becoming increasingly important in agriculture and commerce. In this paper, a new Attention for Orange (AO) attention mechanism and Multiscale Feature Optimization (MFO) feature extraction module are designed and combined with VGG13 convolutional neural network (CNN), innovatively proposed VGG-MFO-Orange CNN model for accurately classifying mandarin oranges with different sweetness. First, a sample of Linhai mandarin oranges was collected, and a sweetness triple classification dataset with 5022 images was formed, utilizing image acquisition and sugar detection. The proposed model was then trained against six influential classical CNN models: DenseNet121, MobileNet_v2, ResNet50, ShuffleNet, VGG13, and VGG13_bn. The experimental results showed that our model achieved an accuracy of 86.8% on the validation set, which was significantly better than the other six models. It also demonstrated excellent generalization ability and effectiveness in predicting the sweetness of Linhai mandarin oranges. Therefore, our model can provide an efficient means of fruit grading for agricultural production, contribute to agricultural modernization, and enhance the competitiveness of agricultural products in the market. Sweetness ; Orange (colour) ; Mandarin Chinese ; Traditional medicine ; Medicine ; Horticulture ; Biology ; Food science ; Philosophy ; Linguistics ; Taste Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Smart Agriculture and AI
Authors: Alhayat Getu TEMESGEN
Source: Synthetic Ecological Engineering (article, 2025-12-04)
Field: Materials Science — Polymers and Plastics

Experimental Study on the Effect of Blend Proportion on Physical Parameters of Ring Spun Polyester/Cotton Blend Yarn This study examined the influence of polyester/cotton (P/C) blend ratios on the structural, physical, and mechanical properties of ring-spun yarns. Polyester and cotton fibers were blended at ratios of 30:70, 50:50, and 70:30 (P:C) and processed using ring spinning to evaluate the effects of blend composition on yarn performance. A comprehensive analysis was conducted on yarn unevenness, mass variation, twist behavior, hairiness, tensile strength, elongation, and fiber packing characteristics. The results revealed that increasing the proportion of polyester significantly enhanced yarn uniformity, with both optical unevenness and mass variation decreasing consistently across the blend ratios. A notable improvement in yarn regularity and reduced surface hairiness was observed when polyester content increased from 30% to 50%. The 70:30 P/C blend exhibited the most favorable performance, displaying the lowest hairiness values, the highest degree of fiber compactness, and superior yarn structural stability. Mechanical properties also improved substantially with higher polyester content. Tensile strength and elongation increased progressively, with the 70% polyester blend achieving the greatest breaking force and extensibility among all blends. These improvements were attributed to polyester’s higher fiber uniformity, greater tenacity, and stabilizing influence within the yarn cross-section. Generally, the study confirms that polyester content is a key determinant of yarn quality, influencing both mechanical robustness and surface characteristics. The findings identify the 70:30 polyester/cotton blend as the optimal ratio, delivering the best balance of structural regularity, reduced hairiness, and enhanced mechanical performance, making it highly suitable for high-quality woven and knitted textile applications. Yarn ; Polyester ; Ultimate tensile strength ; Spinning ; Elongation ; Fiber Textile materials and evaluations ; Dyeing and Modifying Textile Fibers ; Natural Fiber Reinforced Composites
Authors: Zoltán Murányi | Kovács Mihály
Source: Chemistry Teacher International (article, 2025-10-23)
Field: Chemistry — Physical and Theoretical Chemistry

Using green and sustainable chemistry practical activities in Hungarian classrooms: barriers and opportunities Abstract This study presents results from the IUPAC Teacher Survey on Practical Activities in Hungary. In this article, we focus on issues related to the frequency of use of green and sustainable chemistry experiments, what promotes their use and what barriers inhibit it. The sample had a size of 169, representing ∼5 % of Hungarian chemistry teachers. The majority of participants had a bachelor’s or master’s degree and were experienced. Most of them reported using hands-on activities in their work once a month or a few times a year, which was less frequent than the global average, and they also used green and sustainable chemistry experiments less frequently than the global average. The most frequently reported barriers were lack of time and lack of laboratory equipment and chemicals, similarly to the European results. Other barriers mentioned were fear of accidents and overcrowded classrooms. Critical thinking and problem-solving skills were reported as the main reasons for choosing GSC activities, while their connection with local environmental issues was considered less important by the respondents. These results will help us to improve our teacher training and modify its priorities to encourage high school chemistry teachers to use more experiments in their practice. Work (physics) ; Green chemistry ; Sustainability ; Sustainable development ; Sample (material) Various Chemistry Research Topics ; Chemistry and Chemical Engineering ; Science Education and Pedagogy
Authors: Stephen Ochaya | Reginald Austin | Ochan Otim | Björn Andersson
Source: International Journal of Pharmaceutical and Bio-Medical Science (article, 2025-06-30)
Field: Materials Science — Biomaterials

What is Known About N-Alpha Terminal Acetylation in Kinetoplastida Organisms Nα-terminal acetylation (Nt-acetylation) is a conserved post-translational modification that plays an important role in stabilizing, localizing, and performing protein functions in general. Among kinetoplastid parasites such as species of Trypanosoma and Leishmania however, little work has been done to understand the role that this type of modification plays despite possessing an Nα-terminal acetylation machinery with unique N-terminal acetyltransferases. Particularly, since Nt-acetylation is important in stabilizing several key proteins that participate in various cellular processes, Nt-acetylation could be influencing parasite biology such as host-parasite interactions, establishment of different ecological niches, and general pathogenicity. The diverse roles that Nt-acetylation could be playing within kinetoplastids, given their complex life cycles and interactions with hosts, could be important. It is possible that the acetylation machinery, because of such kintoplastid-specific adaptations, represents an attractive target for therapeutic intervention. The unique aspects of Nt-acetylation in kinetoplastids can allow for further understanding of their biology along with innovative approaches for the treatment of pathogenic protozoans. Future studies should address the substrates, functional relevance, and druggability of Nt-acetylation in kinetoplastids to fill knowledge gaps, while also paving the path towards target-oriented drug development. Kinetoplastida ; Acetylation ; Terminal (telecommunication) ; Alpha (finance) ; Biology ; Biochemistry ; Computer science ; Immunology ; Statistics ; Protozoal disease ; Mathematics ; Telecommunications ; Gene Calcium Carbonate Crystallization and Inhibition ; Mass Spectrometry Techniques and Applications ; Spaceflight effects on biology
Authors: Krishna Kant Kanaujia | Sanjay K. Gautam | Ravi Pratap Singh
Source: International Journal of Science and Research (IJSR) (article, 2025-01-27)
Field: Materials Science — Polymers and Plastics

Optimization Technique Used for Solar Dryers with Thermal Storage Using Taguchi Method Solar energy is the largest renewable energy kind in the world. The current article contains the optimization approach used by the Taguchi method for solar dryers with thermal storage. Ginger (Zingiber officinalis, Roscoe, for example), has powerful antiinflammatory properties including oleoresin. A lot of attention has been paid to Supercritical Fluid Extraction (SFE) since it is inert, cheap, readily accessible, Oduor less and tasteless, favorable to the environment. Various experimental studies to decrease time consumption have been carried out and increase solar dryer output. Solar dryers are optimized to improve their functioning precision and to reduce the drying time and cost. Several methods may be utilized to get optimal outcomes to optimize the entire setup. Taguchi optimization technique has been applied for the solar dryer experimental research in dry gingers in the current work. The findings revealed the optimum setup for dry ginger consisting of air speed, air flow and humidity. Taguchi methods ; Process engineering ; Thermal energy storage ; Thermal ; Materials science ; Waste management ; Environmental science ; Computer science ; Engineering ; Composite material ; Meteorology ; Physics ; Thermodynamics Textile materials and evaluations
Authors: Sanusi Adefunke | Abiola Folakemi Olaniran | Oluwakemi Christianah Erinle | Faith Oluwatoyosi Agaja | Clinton Emeka Okonkwo
Source: NIPES Journal of Science and Technology Research (article, 2025-11-09)
Field: Chemistry — Organic Chemistry

Novel Frying Technologies for Nutrients Retentions in Food Products Though the conventional frying procedures are economical, effective, and uncomplicated compared to novel processes. However, several of these fried items are now classified as junk food due to the nutrients they lose during preparation. Because most junk food uses oxygenated oil, eating junk food has been linked to consuming too much transfat. The impact of emerging technologies on fried foods, including air frying, vacuum frying, microwave-assisted vacuum frying, and ultrasound-assisted microwave vacuum frying, was also examined in the current assessment. Food that has been fried is unique because it is crispy, visually appealing, and tender. However, convectional frying increases oil absorbability, nutrient loss, and the formation of toxic compounds like acrylamide, which raises the risk of obesity, cardiovascular disease, diabetes, and other health problems. Ultrasound assisted microwave vacuum frying provides improved outcomes with nutrient retention with the incorporation of technology. New technology has been shown to decrease the frying temperature (vacuum frying), absorb oils (air frying), increase the loss of moisture, and the dehydration rate (microwave assisted vacuum frying). Nutrient ; Food products ; Snack food ; Vacuum drying ; Healthy food ; Health benefits ; Microwave ; Essential nutrient Edible Oils Quality and Analysis ; Potato Plant Research ; Nuts composition and effects
Authors: Akram Tamlicha | Samsul Rizal | Iskandar Hasanuddin | M. M. Noor | Ikramullah Ikramullah | Muhammad Rizal | Nazaruddin Nazaruddin
Source: Polish Maritime Research (article, 2025-08-12)
Field: Materials Science — Polymers and Plastics

Impact Analysis of Composite Laminate Structures in Traditional <i>Jaloe Kayoh</i> Boat Hulls Abstract This study investigates the impact response of a composite laminated structure applied to the hull of a traditional Jaloe Kayoh boat using a glass and ramie-reinforced polyester (GRRP) configuration. The GRRP laminate, which consists of three sequential layers, was engineered to enhance impact resistance in structural marine applications. A series of impact tests were conducted at controlled velocities of 2.4 m/s, 4.4 m/s, 6.4 m/s, 8.4 m/s, and 10.4 m/s, and the results were analysed using both experimental methods and Finite Element Analysis (FEA) simulations. At a baseline impact velocity of 2.4 m/s, experimental strain measurements were closely aligned with FEA predictions, showing a deviation of only 4.7% toward the pendulum impact. However, the strain results in the reverse direction indicated larger discrepancies, highlighting the limitations of predicting asymmetric deformation behaviour. At higher impact velocities, particularly beyond 10.4 m/s, the simulation results revealed that the composite structure begins to approach its elastic threshold, especially on the non-impact (transverse) side, resulting in significantly increased strain levels. The GRRP laminate demonstrated reliable elastic performance in the impact direction, whilst exhibiting vulnerability to transverse deformation under high-energy loading. These findings confirm the effectiveness of the GRRP structure under low-to-moderate impact conditions and suggest the need for reinforcement in the opposite direction, to improve transverse resilience at higher speeds. Overall, this study underscores the value of combining experimental testing and numerical simulations to understand the mechanical behaviour of hybrid composite structures and guide structural design improvements for traditional boat hulls. Hull ; Composite number ; Materials science ; Composite material ; Structural engineering ; Engineering Natural Fiber Reinforced Composites ; Mechanical Behavior of Composites ; Structural Behavior of Reinforced Concrete
Authors: Charlie T. Anselmo | Jojo P. Bautista | Nissan B. Ramirez | Atty. Ariel M. Lioad | Christel A. Anselmo | Wilzar L. Gile
Source: International Journal of Multidisciplinary Applied Business and Education Research (article, 2025-12-23)
Field: Chemistry — Physical and Theoretical Chemistry

&lt;b&gt;Learning in Forensic Chemistry Education: Impact on Criminology Students' Competence and Readiness&lt;/b&gt; This study explored how e-learning influences the development of forensic chemistry skills and professional preparedness among criminology students in the Philippines. A convergent parallel mixed-methods design was utilized, incorporating a quantitative survey with 300 participants and qualitative interviews with students enrolled in a forensic chemistry course. The survey instrument, adapted from existing measures, was subjected to content validation and pilot testing, showing high internal consistency (α=0.86). Quantitative data were analyzed using descriptive statistics, correlations, and regression analyses, whereas qualitative data were analyzed using thematic analysis. The findings indicated that students had favorable views of e-learning in forensic chemistry, valued multimedia resources, and recognized both challenges and opportunities. A strong positive correlation (ρ=0.754, p=0.001) was identified between perceptions of e-learning and readiness to use e-learning tools, with readiness significantly influencing positive perceptions (R=0.708+0.806). Qualitative themes such as enrichment, utilization, enhancement, resources, and foundation underscored the advantages and disadvantages of e-learning in forensic chemistry education. The study concludes that well-crafted e-learning platforms can effectively connect theoretical knowledge with practical skills, improving students' comprehension and critical thinking. However, the absence of hands-on laboratory experience remains a significant limitation. The findings suggest that a blended learning approach, which combines e-learning with traditional practical training, is crucial for a thorough forensic chemistry education. Future research should broaden the study's scope, conduct longitudinal studies, and investigate hybrid learning models to enhance the effectiveness of e-learning in forensic chemistry education. Competence (human resources) ; Forensic science ; Thematic analysis ; Perception ; Qualitative property ; Comprehension ; Qualitative research ; Consistency (knowledge bases) Various Chemistry Research Topics ; Chemical Safety and Risk Management ; Innovative Teaching Methods
Authors: Sanjyot Vinayak Shenoy | Deeptarup Biswas | Kamal Mandal | Arthur O. Zalevsky | Audrey Kishishita | Ayushi Verma | Ishan Upadhay | Yi He | Andrej Šali | Rosa Viner | Sanjeeva Srivastava | Arun P. Wiita
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2025-01-24)
Field: Chemistry — Spectroscopy

AlphaCross-XL: a seamless tool for automated and proteome-scale mapping of crosslinked peptides onto three-dimensional protein structures ABSTRACT Crosslinking mass spectrometry (XL-MS) is an exciting proteomics technology to capture native protein conformations in real time within biological systems. Historically, however, implementation of this technology has typically been limited to single purified recombinant proteins or in vitro assembled protein complexes. These limitations are associated with inherent challenges in XL-MS analysis, including extremely low abundance of crosslinked (XL) peptides and complex deconvolution of XL peptide-derived spectral data. However, impressive recent developments in computation and instrumentation have now made it feasible to address biological questions using proteome-wide XL-MS analysis. Although some XL mapping software tools exist, these require manual input of specific Protein Data Bank (PDB) structures at the single protein level, and do not function at the high throughput scale required to analyze datasets derived from thousands of proteins. To address this need, we therefore sought to develop a strategy enabling automated mapping of XL peptides onto the three-dimensional (3D) structures of proteins, at a proteome-wide scale. Herein we describe AlphaCross-XL, a first-in-class seamless computational tool for automated mapping of XL peptides onto the protein structures for intra-protein crosslinks and loop-links. The AlphaCross-XL software first retrieves protein structures from the AlphaFold Protein Structure Database and maps all the identified crosslinks onto the 3D structure. It also calculates the Euclidian distance between the crosslinked residues and reports the violated and satisfied crosslink distances based on a user-defined distance threshold, which is visually discriminated by color in PyMOL. Lastly, the tool also supports further validation of user-submitted protein structures, that can include any computer-predicted protein structure and experimentally derived protein structures (i.e., from PDB). AlphaCross-XL is available at https://github.com/sanjyotshenoy/alphacross-xl . Ping (video games) ; Proteome ; Scale (ratio) ; Computational biology ; Chemistry ; Computer science ; Biochemistry ; Biology ; Cartography ; Geography Advanced Proteomics Techniques and Applications ; Advanced Biosensing Techniques and Applications ; Genetics, Bioinformatics, and Biomedical Research