jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Lina Yu | Shengbao Feng | Yu Song | Jie Bi | Yuan Gao | Luhui Wang | Chen Jiang | Mingqing Wang
Source: Scientific Reports (article, 2025-07-19)
Field: Chemistry — Inorganic Chemistry

Exploring the extraction, antioxidant activities and its stabilities of peanut skins crude proanthocyanidins extract Peanut skin is a low-value by-product in the peanut oil and peanut product industry, with only a small amount utilized as animal feed while the majority discarded as waste. However, peanut skin contains high-value proanthocyanidins (PCs). Therefore, the objective of this paper is to optimize the extraction conditions for PCs, thereby increasing the added value of peanut skins. The results demonstrated that under the optimal conditions-liquid-solid ratio 1 (50:1 mL/g), temperature 1 (50 °C), ethanol concentration 2 (65%), and time 2 (16 min) - the yield of lyophilized crude PCs extract reached 129.14 ± 2.45 mg/g, with a PCs purity of 50.61 ± 2.27%. The crude PCs extract exhibits significant antioxidant activities. Under conditions including temperatures below 65 °C, pH values less than 7, and the presence of Na<sup>+</sup>, K<sup>+</sup>, Ca<sup>2+</sup>, Cu<sup>2+</sup>, Mg<sup>2+</sup>, Zn<sup>2+</sup>, glucose, sucrose, ascorbic acid, sodium bisulfite, as well as microwave sterilization, boiling water sterilization, pasteurization, and UV sterilization, crude PCs extract demonstrates favorable antioxidant stability. The process optimization and antioxidant activity investigation of crude PCs extract provide novel insights for the comprehensive processing and utilization of peanut skins. Chemistry ; Sterilization (economics) ; Antioxidant ; Food science ; Ascorbic acid ; Chromatography ; Pasteurization ; Extraction (chemistry) ; Blanching ; Fermentation ; Biochemistry Coconut Research and Applications ; Phytochemicals and Antioxidant Activities ; Antioxidant Activity and Oxidative Stress
Authors: Sowmya Maiya | Glanish Jude Martis | Nitinkumar S. Shetty | Santosh L. Gaonkar
Source: Discover Applied Sciences (article, 2025-11-04)
Field: Chemistry — Spectroscopy

Organic fluorescent compounds: A review of synthetic strategies and emerging applications Organic fluorescent compounds have become integral tools across a wide range of applications because of unique ability to absorb light at one wavelength and emit it at a longer wavelength. It plays a crucial role due to their tunable emission wavelengths and high quantum yields. These compounds have applications in diverse fields such as bioimaging, environmental monitoring, and sensing. In biomedicine, fluorescent dyes enable high-resolution imaging of cellular structures, protein interactions, and thereby revolutionizing diagnostic techniques and therapeutic strategies. Environmental applications include the detection of heavy metal ions and monitoring of water quality, where fluorescent sensors offer sensitivity and selectivity for trace contaminants. In chemical analysis, fluorescent compounds are utilized in sensors and assays for detecting a variety of analytes, from metals to organic compounds. Additionally, the development of novel fluorescent materials such as dye-sensitized solar cells and organic light-emitting diodes (OLEDs) has expanded their role in electronics, offering innovations in displays, lighting, and solar energy conversion. The continued advancement of fluorescent compounds promises to increase the precision and versatility of analytical methods, foster innovations and provide solutions to pressing environmental challenges. This review aims to provide an overview of recent progress in the synthesis of organic fluorescent compounds and their practical applications across various fields. To understand the fluorescent properties of compounds, it is essential to first explore their fundamental background; hence, this review presents an overview of fluorescent compounds and their diverse applications. The article discusses recent advancements in organic fluorophores, focusing on improved performance, spectral tunability, and functional versatility. It summarizes the synthetic strategies, structural characteristics, and emerging application trends of organic fluorescent compounds across various scientific domains. Fluorescence ; Optical sensing ; Heavy metals ; Metal ions in aqueous solution Molecular Sensors and Ion Detection ; Luminescence and Fluorescent Materials ; Analytical Chemistry and Sensors
Authors: Marcos Morales‐Reyna | Elisa Elvira Figueroa-Angulo | José C. Espinoza‐Hicks | Alejandro Camacho-Dávila | César López‐Camarillo | Laura Isabel Vázquez-Carrillo | Alfonso Salgado-Aguayo | Ángeles Carlos‐Reyes | Violeta Deyanira Álvarez-Jiménez | Jonathan Puente-Rivera | María Elizbeth Álvarez-Sánchez
Source: Scientia Pharmaceutica (article, 2025-06-05)
Field: Chemistry — Organic Chemistry

Prenylated Chalcones as Anticancer Agents Against Castration-Resistant Prostate Cancer Prenylated chalcones have garnered attention as potential anticancer agents due to their ability to modulate multiple cancer-related pathways. In this study, we synthesized and evaluated nine novel prenylated chalcone derivatives for their antiproliferative effects against castration-resistant prostate cancer (CRPC) cell lines, DU145 and PC3. Among these, compounds 6d and 7j demonstrated potent cytotoxic activity, with IC50 values comparable to cisplatin, and exhibited selective toxicity towards cancer cells over non-tumorigenic RWPE-1 cells. Mechanistic investigations revealed that these compounds induce apoptosis via mitochondrial membrane depolarization and increased late apoptotic events. Flow cytometry confirmed activation of both early and late apoptotic pathways. These findings highlight the potential of chalcone derivatives 6d and 7j as promising therapeutic candidates for CRPC treatment and support further development of chalcone-based molecules in precision oncology. Prostate cancer ; Castration ; Cancer ; Pharmacology ; Medicine ; Prostate ; Chemistry ; Cancer research ; Internal medicine ; Hormone Synthesis and biological activity ; Plant chemical constituents analysis ; Hops Chemistry and Applications
Authors: Hana M. Abumelha | Nuha M. Halawani | Abdulrahman S. Alharbi | Rabah N Alsulami | Jihan Qurban | Khadra B. Alomari | Ameena M. Al‐bonayan | Nashwa M. El-Metwaly
Source: BMC Chemistry (article, 2025-07-30)
Field: Chemistry — Organic Chemistry

Synthesis, molecular modeling and harnessing the antimicrobial activity of new pyrazine-thiadiazole hybrids Various pyrazine-substituted thiadiazole hybrid compounds 5a-c, 9a-c, and 11a-c have been synthesized and elucidated using spectral measurements. Despite the alternative spatial structures, the DFT modeling of the targeting hybrids revealed comparable HOMO-LUMO configurations and energies, which were employed in the estimation of some chemical reactivity parameters. Further, the antimicrobial efficacy of these hybrids was measured against bacterial and fungal strains. Hybrids 5b, 5c, and 9c demonstrated effective antimicrobial activities, comparable to reference drugs. Hybrid 5b exhibited broad-spectrum activity, while 9c showed the strongest antifungal effectiveness. Moreover, in vitro assessment of dihydrofolate reductase (DHFR) enzyme inhibition revealed notable activity; hybrid 9c demonstrated the highest potency (IC<sub>50</sub> = 0.05 ± 0.63 µM), surpassing methotrexate (IC<sub>50</sub> = 1.23 ± 0.51 µM). The molecular docking study of synthesized hybrids revealed significant bindings with key amino acid residues of the target 1DLS receptor; compounds 5c and 9b exhibited the strongest bindings (S = - 15.0667 and - 16.1657 kcal/mol, respectively). Furthermore, ADMET evaluation of the synthesized compounds afforded noteworthy pharmacokinetic characteristics and drug-likeness attributes. Hybrid 11a emerged as the most promising candidate, owing to its highest bioavailability and BBB permeability, warranting further investigation. These findings establish a basis for prioritizing hybrids with advantageous ADMET profiles in future drug development efforts. Pyrazine ; Antimicrobial ; Hybrid ; Computational biology ; Biology ; Microbiology ; Chemistry ; Stereochemistry ; Botany Synthesis and biological activity ; Synthesis and Biological Evaluation ; Synthesis and Characterization of Heterocyclic Compounds
Authors: Shiguo Gu | Binbin Sun | Fei Wang | Wei Zhu | Fei Lian | Jie Li
Source: Biochar (article, 2025-09-16)
Field: Materials Science — Materials Chemistry

Insight into the crucial role of nano-biochar in the natural formation and bioaccumulation of silver nanoparticles in the rhizosphere by single-particle ICP-MS Abstract Nano-biochar (nano-BC) is one of the most active fractions in the BC continuum and frequently detected in terrestrial ecosystems. However, a paucity of information exists on reactivity and environmental functions of nano-BC in the rhizosphere. The present study investigated the potential of nano-BC in transforming silver ions (Ag + ) to silver nanoparticles (AgNPs) in the rhizosphere of rice. We found that the synergistic effect of nano-BC and dioxygen secreted from rice roots was essential for Ag⁺ reduction to AgNPs. In this process, nano-BC transferred electrons to dioxygen, resulting in the formation of superoxide free radicals, which subsequently donate electrons to Ag + . Notably, excess nano-BC was unfavorable to dioxygen secretion from roots and thus inhibited the formation of AgNPs. Our results highlight that although nano-BC significantly decreased the uptake of Ag by rice plants, it contributed to the accumulation of AgNPs in plant tissues. TEM and single-particle ICP-MS analyses confirmed the presence of AgNPs not only in intercellular spaces of leaf tissues but also within the interior of leaf cells. These findings indicate that nano-BC plays a critical role in regulating the chemical species and bioaccumulation of redox-active metals (such as Ag) in the rhizosphere, which has important implications for element cycling from the pedosphere to terrestrial vegetation and warrants further investigation. Graphical Abstract Bioaccumulation ; Rhizosphere ; Silver nanoparticle ; Superoxide ; Reactive oxygen species ; Metal ; Oxygen ; Biofilm Nanoparticles: synthesis and applications ; Heavy metals in environment ; Mercury impact and mitigation studies
Authors: Yasmin S. Sheta | Marwa T. Sarg | Fatma G. Abdulrahman | Ebtehal M. Husseiny
Source: Azhar International Journal of Pharmaceutical and Medical Sciences/Azhar International Journal of Pharmaceutical and Medical Sciences  (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

New Imidazothiazine-containing Scaffolds as Promising Anticancer Agents: Design, Synthesis, and Antiproliferative Estimation One of the main reasons of death worldwide is cancer. There is a growing interest in the study of imidazolidinone derivatives where their synthesis and characteristics have been thoroughly discussed as appropriate precursors in pharmaceutical industry. Employing some drug design approaches such as divergence of substituents and hybridization of pharmacophores, a new set of imidazothiazines 5a-d have been designed and constructed. The structure of the prepared hybrids was asserted through spectral data. All synthesized conjugates were assayed for their seven dose anticancer assay against three carcinomas namely hepatic HepG2, mammary gland MCF-7, and prostate PC-3 carcinomas. The tested entities exerted promising anticancer activity toward the chosen carcinomas. Noticeably, compounds bearing 4-methoxy 5a or 4-hydroxy 5b groups with positive mesomeric action at phenyl ring on C-5 of imidazothiazine scaffold showed a more potent anticancer effect than compounds containing chloro group with a negative inductive effect 5c and 5d. Besides, the presence of carbonitrile functionality at C-6 of imidazothiazine ring as in 5c has a positive impact on the anticancer activity compared with the carboxamide moiety in 5d. Computer science Synthesis and Characterization of Heterocyclic Compounds ; Phenothiazines and Benzothiazines Synthesis and Activities ; Quinazolinone synthesis and applications
Authors: Roselle Colastre Lasagas | Chenju Liang | Xuyen Thi Hong Luong | Florencio Ballesteros
Source: RSC Advances (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Reductive degradation of carbon tetrachloride using tree leaf polyphenol–iron complexes for groundwater remediation Plant polyphenols, natural antioxidants, form complexes with iron minerals that enhance contaminant degradation <i>via</i> reductive processes. This study investigated the degradation of carbon tetrachloride (CT) using polyphenol-iron complexes synthesized from tree leaf extracts. Polyphenols were extracted from waste tree leaves, including <i>Ficus microcarpa</i>, <i>Terminalia neotaliala</i>, <i>Haematoxylon campechianum</i>, <i>Ficus septica</i>, <i>Mangifera indica</i>, and <i>Ficus religiosa</i>, with gallic acid identified as the predominant constituent. Among them, <i>Terminalia neotaliala</i> exhibited superior antioxidant capacity, reducing power, metal-chelating ability, and total phenolic content, making it the optimal choice for CT degradation experiments. Using the Taguchi method, optimal conditions for CT degradation were determined as pH 10, a leaf extract dose of 10 g L<sup>-1</sup>, and an Fe<sup>2+</sup> concentration of 15 mM, with pH as the most influential factor. Under these conditions, CT degradation reached 99% in aqueous solution and 89% in field groundwater within 24 h. Detected intermediates included trichloromethane, dichloromethane, and chloromethane, with chloride ions as the final mineralization product. This study underscores the potential of tree leaf polyphenols, in combination with Fe<sup>2+</sup>, as a sustainable approach for groundwater remediation. Environmental remediation ; Polyphenol ; Chemistry ; Degradation (telecommunications) ; Carbon tetrachloride ; Environmental chemistry ; Groundwater ; Tree (set theory) ; Contaminated groundwater ; Organic chemistry ; Contamination ; Antioxidant ; Biology ; Mathematics ; Geology Free Radicals and Antioxidants ; Environmental remediation with nanomaterials ; Adsorption and biosorption for pollutant removal
Authors: Olgun Çirak | Adem Necip | Mesut Işık | Şükrü Beydemir
Source: European Journal of Life Sciences (article, 2025-04-30)
Field: Chemistry — Organic Chemistry

Antioxidant, anti-acetylcholinesterase potentials, ADME estimations and molecular docking studies of green algae extracts Algae have become the center of attention due to their strong antioxidants and enzyme-inhibitory activities. In this study, green algae (Enteromorpha linza) extracts obtained using acetone, hexane and methanol were investigated. In the study, antioxidant properties, anti-acetylcholinesterase (AChE) potential, ADME estimations and molecular docking analyses of green algae extracts were investigated. The best binding position was obtained by docking sirsimaritin, daidzein, kaempferol, morin and myricetin to the active site of acetylcholinesterase receptor. Docking score values were calculated as -10.0, -10.3, -9.9, -9.8 and -9.8 kcal/mol, respectively. Experimental analysis revealed that the extracts showed inhibitory activity against acetylcholinesterase enzyme. Acetone and hexane extract showed good inhibition performance with IC50 values of 0.0379 mg/ml and 0.0414 mg/ml, respectively. The IC50 value for methanol extract was determined as 0.997 mg/ml. When the antioxidant activity results of the extracts were evaluated in terms of both DPPH and ABTS radical scavenging capacities, it was revealed that the acetone-based extract had a higher radical scavenging capacity (DPPH: 17.48%, ABTS: 83.58%) compared to the extracts obtained with other solvents. In general, the obtained results revealed that the green algae examined can be used as a source of natural agents beneficial for human health. ADME ; Acetylcholinesterase ; Antioxidant ; Chemistry ; Docking (animal) ; Biochemistry ; Enzyme ; Medicine Free Radicals and Antioxidants ; Cholinesterase and Neurodegenerative Diseases ; Enzyme function and inhibition
Authors: Priyabrata Pattanayak | Kamini Sethy
Source: ChemistrySelect (article, 2025-06-01)
Field: Chemistry — Organic Chemistry

Azetidine‐Based Small‐Molecule Targeted Anticancer Agents: Developments in the Last Decade (2015–2024) Abstract Cancer has caused 9.16 lakh deaths in India during 2022 and is one of the significant causes of mortality worldwide. Drug resistance and cytotoxicity to non‐cancerous cells are the major hurdles in the design and development of anticancer agents. Therefore, small‐molecule targeted anticancer drug design has gained tremendous attention compared to traditional chemotherapeutic agents. Researchers have extensively studied the four‐membered saturated azetidine ring due to its versatile pharmacological potential and ability to interact with different molecular targets. In the last decades, starting from 2015, several azetidine‐bearing drug molecules have been developed by functionalized modification of the substituents on the azetidine ring. The present review has highlighted all such molecules that have the potential to act as a drug in the treatment and management of cancer. Further, the SAR studies described in the review may help design of potential azetidine‐based small molecule in the targeted anticancer therapy. Azetidine ; Drug ; Small molecule ; Anticancer drug ; Drug discovery ; Cytotoxicity ; Pharmacology ; Combinatorial chemistry ; Chemistry ; Computational biology ; Nanotechnology ; Biology ; Stereochemistry ; Biochemistry ; Materials science ; In vitro Synthesis and Catalytic Reactions ; Synthesis of β-Lactam Compounds ; Click Chemistry and Applications
Authors: D. Villalba | Mario R. Escobar | Cristina Martínez Conesa | Javier E. Barúa | Fillipe de Oliveira Pereira | Juliana Moura Mendes
Source: Journal of Applied Pharmaceutical Science (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Phytochemical and pharmacological aspects of the genus Chamaecrista: a systematic review The genus Chamaecrista, belonging to the family Fabaceae, is mainly distributed in the American continent and is of great interest because of its extensive use in traditional medicine. This article presents a systematic review of the pharmacological and chemical properties of the Chamaecrista. Articles published between 2004 and 2023 were grouped through searches in the following databases: PubMed, SciELO, Scopus, Science Direct, Web of Science, and Google Scholar. Articles were included based on the selection and classification of titles and abstracts if they indicated the country of origin of the studies, plant species studied, compounds identified, and associated pharmacological activities. The results showed that most of the studies conducted in Brazil represented 35% of the published works. Moreover, Chamaecrista nictitans and Chamaecrista duckeana have been the most studied for their pharmacological potential, especially for their antioxidant activity. In addition, flavonoids were the leading group described, obtained from different extracts of various parts of the plant, with leaves being the most utilized. Despite promising advances in understanding the chemical composition and pharmacological properties of the genus Chamaecrista, this review highlights that no preclinical in vivo and clinical studies have been reported. This study underscores the importance of continuing research to identify and isolate new bioactive molecules from this genus, aiming to elucidate their pharmacological functions and potential therapeutic applications. Phytochemical ; Genus ; Biology ; Traditional medicine ; Botany ; Medicine Chemical synthesis and alkaloids
Authors: Maria-Virginia Coman | Mihaela-Cătălina Herghelegiu
Source: Journal of Planar Chromatography – Modern TLC (article, 2025-08-01)
Field: Chemistry — Spectroscopy

Thin-layer chromatography in forensic analysis Abstract The term “forensics” refers to the use of scientific knowledge to solve legal problems, especially the scientific analysis of physical evidence that serves as testimony in a court of law. For this purpose, the collected information and evidence are studied and analyzed by various methods, and the results obtained are interpreted in an interdisciplinary way by well-trained specialists in chemistry, biology, psychology, mathematics, or other fields, as appropriate, so that the final conclusions are strongly supported by science. This review presents the fundamental role of thin-layer chromatography (TLC) in the forensic investigation of the following compounds: (1) drugs of abuse with action on the central nervous system in case of long-term use or overdose (depressants, stimulants, synthetic/semisynthetic/natural drugs in various dangerous combinations, and performance-enhancing drugs); (2) plant alkaloids used for recreational/toxic purposes; (3) pesticides with possible forensic action caused by side effects or poisoning; (4) inks from forensic documents; (5) warfare agents; and (6) powerful explosives. By coupling offline/online high-performance TLC (HPTLC) with techniques such as ultraviolet–visible spectroscopy, Fourier transform infrared spectroscopy, Raman spectroscopy, as well as mass spectrometry for visualization/identification/quantification of compounds, followed by chemometric interpretation of the results, HPTLC becomes a powerful and successful tool in forensic science. The results obtained can be considered an essential and powerful starting point in the analysis of forensic evidence, providing basic/solid/useful information, if other instrumental analytical techniques (spectroscopy, mass spectrometry, and chromatography) are necessary owing to the complexity and nature of the evidence and/or if this information needs to be presented in court. Thin-layer chromatography ; Forensic science ; Chromatography ; Chemistry ; Biology ; Genetics Analytical Chemistry and Chromatography ; Mass Spectrometry Techniques and Applications ; Chromatography in Natural Products
Authors: Younes Djouadi | Mohamed-Said Chemam | А. А. Ескин | Аlexey V. Vakhin | Mohammed A. Khelkhal
Source: Catalysts (article, 2025-10-04)
Field: Chemistry — Analytical Chemistry

Magnetite-Catalyzed Enhancement of Heavy Oil Oxidation: Thermal and Kinetic Analysis of Fe(acac)3 Effects on High-Temperature Oxidation Reactions This study investigates iron acetylacetonate (Fe(acac)3) as a catalyst for enhancing high-temperature oxidation (HTO) during in situ combustion (ISC) of heavy oil. Thermal analysis revealed that Fe(acac)3 decomposes at 360 °C to form crystalline magnetite (Fe3O4). This transformation precedes the HTO regime. Differential scanning calorimetry demonstrated significantly intensified HTO reactions in catalytic systems, as peak temperatures were lower than those in non-catalytic reactions. Kinetic analysis showed that the catalyst reduces HTO activation energy by 15.6%, substantially increasing reaction rates across the HTO temperature range. X-ray powder diffraction confirmed that the mixed-valence Fe2+/Fe3+ configuration in the magnetite structure facilitates electron transfer during oxidation, enabling more complete combustion at lower temperatures. These findings represent a novel approach to catalyst design, from general activity to temperature-specific activation for a more stable and efficient in situ combustion process. Catalysis ; Combustion ; Magnetite ; Activation energy ; Catalytic combustion ; Differential scanning calorimetry ; Kinetic energy ; Redox ; Thermal analysis Petroleum Processing and Analysis ; Enhanced Oil Recovery Techniques ; Hydrocarbon exploration and reservoir analysis