jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ashwin Kuchekar | A.U. Chavan | Poonam R. Inamdar | Ashwini Gawade
Source: Journal of Applied Pharmaceutical Science (article, 2025-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Synthesis and characterization of fenofibrate–atorvastatin calcium cocrystals with Para-Aminobenzoic Acid as a Coformer: Design, formulation, and evaluation This study aimed to improve the dissolution profile of two poorly soluble drugs, atorvastatin calcium and fenofibrate, through cocrystallization via carefully selected coformers. Five different coformers were screened via a molecular docking approach with the PyRx virtual screening tool. Binding energy and hydrogen bond formation data identified para-aminobenzoic acid (PABA) as the most suitable coformer for cocrystal formation. The cocrystallization process was carried out via the liquid-assisted grinding method. The resulting cocrystals were characterized via Fourier transform infrared (FT-IR), powder X-ray diffraction (PXRD), differential scanning calorimetry (DSC), and scanning electron microscope (SEM) techniques. A detailed evaluation of fenofibrate, atorvastatin calcium, and fenofibrate−atorvastatin calcium-PABA multidrug cocrystals revealed improved solubility compared with that of the pure drugs. Characterization through FT-IR confirmed interactions between the drugs and the coformer, whereas PXRD, DSC, and SEM analyses supported the formation of a distinct crystalline phase. An in vitro dissolution study demonstrated a significant increase in the dissolution rate of the cocrystals. The findings concluded that cocrystals prepared with PABA via the liquid-assisted grinding method successfully improved the solubility of atorvastatin calcium and fenofibrate, providing a promising approach to address the challenges associated with poorly soluble drugs. The novelty lies in the strategic combination of two lipid-lowering agents into a single multicomponent crystal system, offering improved solubility, dissolution rate, and potential bioavailability compared to their standalone forms. This work pioneers the application of pharmaceutical cocrystallization for dual-drug delivery in dyslipidemia management, offering a promising platform for fixed-dose combination therapies with enhanced patient compliance and therapeutic synergy. Fenofibrate ; Characterization (materials science) ; Chemistry ; Calcium ; Combinatorial chemistry ; Materials science ; Organic chemistry ; Nanotechnology ; Pharmacology ; Medicine Crystallography and molecular interactions ; Chemical synthesis and pharmacological studies ; Computational Drug Discovery Methods
Authors: Zhiyan Li | Yanjun Lu | Lulu Wang | Lizheng Shi | Tuo Wang
Source: Nanoscale Advances (review, 2025-01-01)
Field: Materials Science — Biomaterials

Reactive oxygen species-dependent nanomedicine therapeutic modalities for gastric cancer Reactive oxygen species (ROS) play a double-edged role in gastric cancer (GC). Higher levels of ROS in tumor cells compared to normal cells facilitate tumor progression. Once ROS concentrations rise rapidly to toxic levels, they cause GC cell death, which is instead beneficial for GC treatment. Based on these functions, nano-delivery systems taking the therapeutic advantages of ROS have been widely employed in tumor therapy in recent years, overcoming the drawbacks of conventional drug delivery techniques, such as non-specific systemic effects. In this review, the precise impacts of ROS on GC have been detailed, along with ROS-based nanomedicine therapeutic schemes. These strategies mainly focused on the use of excess ROS in the tumor microenvironment for controlled drug release and a substantial enhancement of ROS concentrations for tumor killing. The challenges and opportunities for the advancement of these anticancer therapies are also emphasized. Nanomedicine ; Cancer ; Modalities ; Reactive oxygen species ; Therapeutic modalities ; Medicine ; Cancer research ; Chemistry ; Internal medicine ; Nanotechnology ; Materials science ; Nanoparticle ; Biochemistry ; Sociology Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Cancer, Stress, Anesthesia, and Immune Response
Authors: Ke Li | Luming Zhou | Guimin Jiang | Yunxiao Zhang | Yuanxiang Zhou
Source: High Voltage (article, 2025-12-01)
Field: Materials Science — Materials Chemistry

Significant Suppression of High Electric Field Regions in XLPE via Voltage Stabilisers ABSTRACT Dielectric degradation typically originates from local defects. The resulting electric field concentration accelerates defect growth. Suppressing field distortion arising from such local weaknesses has long been a major challenge in electrical insulation. In this work, we incorporated the voltage stabiliser anthrone (ET) into cross‐linked polyethylene (XLPE). This design enables field‐driven adaptive migration and charge trapping, thereby dynamically regulating local electric fields. Space charge analysis reveals that ET captures charge and creates a reverse electric field. This process inhibits charge injection and transport, significantly reduces internal field distortion and results in a negative electric field coefficient effect. Notably, at 110 kV/mm the distortion ratio decreases from 118.6% in XLPE to only 0.05% in ET/XLPE, a reduction by more than 2000 times. These findings highlight the critical role of voltage stabilisers in enhancing dielectric reliability. Electric field ; Distortion (music) ; Voltage ; Space charge ; Dielectric ; Stabiliser ; High voltage ; Charge (physics) High voltage insulation and dielectric phenomena ; Dielectric materials and actuators ; Power Transformer Diagnostics and Insulation
Authors: Jiaxu Chen | Jinxin Zheng | Youming Cai | Junxu Xu | Yi Sun | Zhen Yang | Feng Yang | Mo‐Xian Chen | Yu Chen | Qingzhu Li
Source: Frontiers in Plant Science (article, 2025-12-15)
Field: Chemistry — Organic Chemistry

Medicinal compounds and biotechnology of Amaryllidaceae alkaloids in Lycoris radiata <i>Lycoris radiata</i>, known for its striking floral patterns and vivid colors, holds significant ornamental value and is widely admired by the public. As research on <i>Lycoris</i> species progresses, scientists have uncovered their significant medicinal potential. These plants are particularly valued for their alkaloid compounds, which exhibit important pharmacological properties, especially strong antibacterial effects. This study systematically investigates the medicinal properties of <i>Lycoris</i> alkaloids. Through a comprehensive review, we analyze the various types of alkaloids present in <i>Lycoris</i> species. It sheds light on their synthetic mechanisms and elucidates their multifaceted functions, providing a detailed understanding of their pharmacological potential. Moreover, this paper highlights recent breakthroughs in alkaloid research, presenting the latest advancements in this field. By systematically documenting and elucidating these aspects, this study aims to provide a comprehensive understanding of the medicinal value of <i>Lycoris</i> and the intricate roles played by its alkaloid constituents. Amaryllidaceae ; Alkaloid ; Medicinal plants ; Ornamental plant ; Radiata Chemical synthesis and alkaloids ; Neurotransmitter Receptor Influence on Behavior ; Botanical Research and Chemistry
Authors: Ting Zhang | Langchong He | Jun Lu
Source: The Innovation Medicine (article, 2025-12-19)
Field: Chemistry — Spectroscopy

The emergence of the multi-target cell membrane chromatography intelligent screening workstation as an internationally original achievement Workstation ; Column (typography) ; Pattern recognition (psychology) Advanced Proteomics Techniques and Applications ; Protein purification and stability ; Lipid Membrane Structure and Behavior
Authors: Steven Leonhardt | Pravesh Tamang | Günter E. M. Tovar | Susanne Zibek
Source: Microbial Cell Factories (article, 2025-09-23)
Field: Materials Science — Biomaterials

Characterizing the growth of PHA-producing microorganisms on short-chain carboxylic acids Short-chain carboxylic acids are important chemical intermediates in anaerobic treatment or thermal hydrolysis of biowaste. They are a crucial precursor for the production of Polyhydroxyalkanoate (PHA) by various microorganisms. However, there is limited data on the growth behavior of PHA-producing microorganisms on carboxylic acids and their tolerance range. Therefore, this study aims to systematically determine the growth behavior of four commonly used PHA-producing microorganisms (Cupriacidus necator, Pseudomonas putida, Azohydromonas australica, and Haloferax mediterranei) on different carboxylic acids (formic, acetic, propionic, valeric, and levulinic acid). Batch experiments were conducted in a microbioreactor to determine the maximum specific growth rates (µ<sub>max</sub>) on varying acid concentrations. Additionally, the data was analyzed using the Han-Levenspiel growth model to determine the inhibitory effect of the acids on the microorganisms. Our experiments showed that P. putida had the highest µ<sub>max</sub> on propionic acid (0.165 h<sup>- 1</sup>) and levulinic acid (0.16 h<sup>- 1</sup>). Likewise, H. mediterranei also showed the highest µ<sub>max</sub> on propionic acid (0.174 h<sup>- 1</sup>). For C. necator, the highest µ<sub>max</sub> was determined in acetic (0.102 h<sup>- 1</sup>) and levulinic acid (0.109 h<sup>- 1</sup>). Among all the tested carboxylic acids, acetic acid was found to be the least toxic acid and was also the only substrate that enabled meaningful growth of A. australica. Furthermore, formic acid seems to be the least suitable substrate for the growth of these microorganisms except H. mediterranei as only the growth of this microorganism was observed. Based on these results, we concluded that carboxylic acids are not a suitable carbon source for the growth of A. australica. While C. necator and P. putida are more versatile in utilizing various acids, except formic acid. They showed the largest optimum growth or tolerance range in acetic and levulinic acid, making these acids the most preferred substrate for growth. Lastly, H. mediterranei could grow in all carboxylic acids, however, the requirement of a highly saline medium would be challenging. Levulinic acid ; Pseudomonas putida ; Microorganism ; Formic acid ; Substrate (aquarium) ; Bacterial growth ; Carboxylic acid ; Acetic acid ; Hydrolysis ; Bacteria biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Carbon dioxide utilization in catalysis
Authors: Oleh Lukianov | V. P. Tkachuk | Kseniia Yutilova | M. V. Vovk | Sergey V. Ryabukhin | V. A. Sukach
Source: Current Chemistry Letters (article, 2025-12-04)
Field: Chemistry — Organic Chemistry

Recent advances in the photocatalytic Giese reaction The Giese reaction is a key method for forming C–C bonds via the radical addition to electron-deficient alkenes. Recent advances have shifted this transformation towards photocatalytic approaches that use visible light to generate carbon-centered radicals under mild and sustainable conditions. This review highlights developments from 2020 to 2025 in photocatalytic radical generation using metal-based complexes (especially ruthenium and iridium) and organic photocatalysts. Emphasis is placed on how light-driven processes enable efficient, selective, and environmentally friendly Giese-type reactions with diverse substrates. These innovations demonstrate the growing importance of photochemistry in modern radical synthesis. Photocatalysis ; Radical ; Environmentally friendly ; Photoredox catalysis ; Ruthenium ; Catalysis Radical Photochemical Reactions ; Catalytic C–H Functionalization Methods ; Asymmetric Hydrogenation and Catalysis
Authors: Jiaxing Di | Yuhong Xu | Tonglei Li
Source: Asian Journal of Pharmaceutical Sciences (article, 2025-09-01)
Field: Materials Science — Biomaterials

Critical quality attributes of lipid nanoparticles and in vivo fate Lipid nanoparticles (LNPs) have emerged as versatile carriers for the delivery of genetic medicines and small-molecule drugs, offering desired benefits for therapeutic applications. Optimization of the treatment efficacy of nanocarriers necessitates a thorough understanding of the connection between pharmacokinetics and physicochemical properties. This review consolidates scientific efforts to elucidate how LNP's physicochemical attributes influence their <i>in vivo</i> fate, emphasizing particle size and shape, surface electric potential and ligand-binding chemistry. By examining the interplay between LNPs and biological barriers across various administration routes, this review provides insights into tailoring LNP properties for optimal delivery and reduced off-target effects. Recommendations for future research are provided to advance the study of LNP <i>in vivo</i> behaviors and offer a practical framework for optimizing <i>in vivo</i> performance through product design parameters. In vivo ; Quality (philosophy) ; Nanoparticle ; Chemistry ; Nanotechnology ; Biology ; Materials science ; Biotechnology ; Physics Nanoparticle-Based Drug Delivery ; RNA Interference and Gene Delivery ; Lipid Membrane Structure and Behavior
Authors: Ontlametse H. E. Phiri | Lucia M. Lepodise | Tshepo Pheko-Ofitlhile
Source: Frontiers in Pharmacology (article, 2025-09-19)
Field: Chemistry — Analytical Chemistry

Comprehensive chemical profiling and human health risk assessment of potentially toxic heavy metals in some traditional herbal concoctions from Botswana Traditional herbal mixtures are still used extensively in Botswana because of their claimed therapeutic benefits, although their chemistry and safety are undocumented. Therefore, this study aims to conduct the analysis and human health risk assessment of some herbal concoctions in Botswana. The spectra of the herbal concoction samples sourced from three different street vendors were recorded at room temperature using the Fourier Transform Infrared (FT-IR) technique. The three samples exhibited comparatively similar spectral profiles, indicating that they may contain chemical compounds vibrating at similar energies. FT-IR analysis revealed the presence of characteristic functional groups which includes phenolics, alcohols, alkene, alkanes and aromatic groups some of which were identified through gas chromatography-mass spectrometry (GC-MS) analysis. GC-MS analysis of all the hexane extracts identified octane and 3-methylheptane as the major constituents. Hexadecane, tetradecane and 5-Aminovaleric acid were major compounds identified in ethyl acetate extracts. Inductively Coupled Plasma Optical Emission Spectrometer (ICP-OES) results revealed that the heavy metal concentrations of herbal concoctions that ranged between 1.00 × 10<sup>-4</sup> mg/kg and 2.43 × 10<sup>1</sup> mg/kg. The concentrations of all the heavy metals were below the acceptable limits set by World Health Organization (WHO). Trace metal concentrations of Mg, Ca, K and Na in the samples ranged from 1.31 × 10<sup>-1</sup> to 2.79 × 10<sup>1</sup> mg/kg, 4.34 × 10<sup>-1</sup> to 2.36 × 10<sup>2</sup> mg/kg, 1.13 to 2.26 × 10<sup>1</sup> mg/kg and 3.08 × 10<sup>-1</sup> to 5.07 × 10<sup>1</sup> mg/kg respectively. The human health risk analysis showed that there was no potential health risk associated with the consumption of the herbal concoctions and As concentration levels in sample A requires close scrutiny. These findings provide valuable information on the chemical composition, metal content and health risk assessment information of the herbal concoctions by informing safe usage and contributing to evidence based ethno-pharmacological research. The study provides an insight on the properties of bioactive compounds present in the herbal concoctions and emphasizes the necessity of continuous quality monitoring and chemical validation of traditional herbal mixtures to inform regulatory frameworks and public health policy. Human health ; Heavy metals ; Health risk assessment ; Health risk ; Risk assessment ; Inductively coupled plasma Heavy Metals in Plants ; Heavy metals in environment ; Complementary and Alternative Medicine Studies
Authors: Shahira H. EL‐Moslamy | Esmail M. El‐Fakharany | Omkulthom Al kamaly | Hossam M. Yehia | Yousra A. El‐Maradny
Source: Journal of Materials Science Materials in Medicine (article, 2025-11-14)
Field: Materials Science — Materials Chemistry

The potential of Eco-friendly synthesis of multifunctional ZnO-CuO nanocomposites using Mentha longifolia extract for their biomedical applications In this study, we report the biogenic synthesis of ZnO-CuO nanocomposites (NCPs) utilizing Mentha longifolia leaf extract as both a reducing and capping candidate. The synthesis process was optimized utilizing the Plackett-Burman statistical design, achieving a maximum yield of 22.18 mg/mL under controlled conditions. The resulting ZnO-CuO NCPs exhibited a crystalline structure with an average particle size of 26.61 nm, as analyzed by XRD, TEM, and SEM approaches. FTIR spectroscopy demonstrated the presence of bioactive phytoconstituents, such as phenolic derivatives and alkaloids, which stabilized the nanocomposites. The ZnO-CuO NCPs demonstrated potent antimicrobial activity against multidrug-resistant pathogens, including Staphylococcus aureus, Escherichia coli, and Candida albicans, with a minimum inhibitory concentration (MIC) of 180.47 µg/mL. In anticancer evaluations, the ZnO-CuO NCPs exhibited selective cytotoxicity against A549 (lung), HepG2 (liver), and MDA (breast) cancer cell lines, with selectivity indices (SI) of 4.88, 25.19, and 46.32, respectively. Apoptosis induction was confirmed through nuclear staining and morphological analysis. Additionally, the ZnO-CuO NCPs showed promising antiviral activity against herpes simplex virus-1 (HSV-1) (IC<sub>50</sub> = 9.29 µg/mL, SI = 63.24) and Adenovirus-7 (IC<sub>50</sub> = 25.88 µg/mL, SI = 22.66), suggesting potential mechanisms involving viral replication inhibition. Molecular docking studies further supported the anticancer potential of the ZnO-CuO NCPs, revealing strong interactions with vascular endothelial growth factor (VEGF) and Bcl-2-associated protein x (Bax), key regulators of angiogenesis and apoptosis. These findings highlight the multifunctional therapeutic potential of plant-mediated ZnO-CuO NCPs, offering a sustainable and effective strategy for addressing antimicrobial resistance, cancer, and viral infections, with promising implications for future biomedical applications. Cytotoxicity ; Antimicrobial ; Apoptosis ; Angiogenesis ; Docking (animal) ; Minimum inhibitory concentration ; Antibacterial activity ; Cancer cell ; Escherichia coli Copper-based nanomaterials and applications ; Nanoparticles: synthesis and applications ; Bioactive Compounds and Antitumor Agents
Authors: Moumita Sil | Debanik Deb | S. Dalui | Subhajit Chakraborty | Arunava Goswami | Igor Polikarpov
Source: Journal of Applied Pharmaceutical Science (article, 2025-01-01)
Field: Materials Science — Biomaterials

In silico and in vitro evaluation of nano-enhanced therapeutics for diabetes management Diabetes mellitus remains a major global health challenge, necessitating safer and more effective therapeutic strategies. Nanotechnology enhances the bioactivity of phytochemicals, offering a novel approach to diabetes management. This study synthesized eco-friendly silver nanoparticles (AgNPs) using phytochemicals from homeopathic mother tinctures (Strychnos nux-vomica, Arnica montana, and Atropa belladonna) and Ayurvedic powders (Withania somnifera, Emblica officinalis, and Terminalia chebula). Characterization via dynamic light scattering (DLS) and electron microscopy field emission scanning electron microscopy, field emission gun transmission electron microscopy confirmed the formation of uniformly spherical AgNPs (10–30 nm), ensuring stability and dispersion. Molecular docking studies assessed the binding affinity of silver atoms with α-amylase and α-glucosidase, revealing inhibition via metal chelation. While atomic silver exhibited weak inhibition, AgNPs demonstrated significantly enhanced suppression of enzymatic activity due to their multivalent interactions. Among the formulations, Emblica officinalis-derived AgNPs exhibited the most potent inhibition, with IC50 values of 17.5 μg/ml (α-amylase) and 12.87 μg/ml (α-glucosidase), surpassing acarbose. Their efficacy was further linked to oxidative stress induction, influencing glucose metabolism and enzyme inhibition. The cytotoxicity of E. officinalis-derived AgNPs was assessed using the MTT assay on MDA-MB-231 cells. A concentration-dependent cellular response indicated active nanoparticle uptake, suggesting interactions with intracellular signaling pathways. The biointeractive potential of these nanoparticles further supports their role as therapeutic agents. This study highlights the potential of phytochemically synthesized AgNPs as effective antidiabetic agents. The integration of nanotechnology with traditional medicine offers a sustainable therapeutic approach. Further research into pharmacokinetics, in vivo efficacy, and mechanistic pathways will be crucial for clinical translation. In silico ; In vitro ; Nano- ; Pharmacology ; Nanotechnology ; Computational biology ; Chemistry ; Medicine ; Biology ; Materials science ; Biochemistry ; Gene Nanoparticle-Based Drug Delivery ; Advanced Drug Delivery Systems ; Cancer Research and Treatment