jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shing-Hwa Lu | Bao-Long Hou | Ting Wang | Keyu Ma | Anjie Huang | Xue Wu | Yanni Liang | Zheng Wang
Source: ACS Omega (article, 2025-01-10)
Field: Chemistry — Organic Chemistry

Antitumor Effects of Tryptanthrin on Colorectal Cancer by Regulating the Mitogen-Activated Protein Kinase Signaling Pathway and Targeting Topo I and IDO1 Tryptanthrin (TRYP) is an indole quinazoline alkaloid with a range of pharmaceutical activities, but the specific mechanism of TRYP against colorectal cancer (CRC) remains obscure. The purpose of this study was to evaluate the antitumor effects of TRYP on CRC models both <i>in vitro</i> and <i>in vivo</i> and further analyze its concrete mechanisms. The results of the <i>in vitro</i> experiment show that TRYP effectively inhibited the proliferation and migration of SW620 cells, arrested the cell cycle at the S phase, and induced cell apoptosis. Deeply, TRYP dramatically increased the expression of Bax and cleaved caspase 3 while decreasing the expression of Bcl-2. The results of transcriptome sequencing implied that the inhibitory effects of TRYP were closely related to the mitogen-activated protein kinase (MAPK) signaling pathway, and the results of western blotting verified that TRYP could decrease the expression of p-Erk and increase the expression of p-p38 and p-Jnk. Besides, our results identified that topoisomerase I (Topo I) and indole amine 2,3-dioxygenase 1 (IDO1) were the targets of TRYP. <i>In vivo</i>, the results showed that different TRYP doses significantly inhibited tumor growth in mice, induced different degrees of necrosis in tumor tissues, decreased the expression level of Ki67 protein, and increased the apoptotic signal in tumor tissues. The findings demonstrated the inhibitory effects of TRYP on CRC, and the mechanisms were tightly connected to inhibiting the activity of Topo I and IDO1 and regulating the expression of the MAPK signaling pathway. Especially, it was first identified that TRYP could directly inhibit Topo I to arrest SW620 at the S phase. Therefore, this work established a scientific basis for the development of TRYP. Colorectal cancer ; Protein kinase A ; Cancer research ; Kinase ; Signal transduction ; Mitogen-activated protein kinase ; Cancer ; Chemistry ; Medicine ; Biology ; Cell biology ; Internal medicine Quinazolinone synthesis and applications ; Cancer therapeutics and mechanisms ; Synthesis and Biological Evaluation
Authors: Ioanna Pyrka | Stavros Stefanidis | Stella A. Ordoudi | Sofia Lalou | Nikolaos Nenadis
Source: Foods (article, 2025-01-17)
Field: Chemistry — Organic Chemistry

Oxidative Stability of Virgin Avocado Oil Enriched with Avocado Leaves and Olive-Fruit-Processing By-Products (Leaves, Pomace) via Ultrasound-Assisted Maceration Virgin avocado oil (VAO), treasured for its nutritional and sensory properties, is susceptible to oxidation. To improve its oxidative stability, the feasibility of enrichment with antioxidants from avocado or olive-processing by-products via ultrasound-assisted maceration was explored. Dried, milled avocado (AL), olive leaves (OL), or olive pomace (OP) were ultrasound-macerated with laboratory-extracted VAO at 5, 10, and 20% <i>w/w</i> levels. Induction-period (IP) values, determined via Rancimat (110 °C, 20 L/h), increased by 1.1-1.6-fold. Maceration with AL and OL added pigments (β-carotene, lutein, α-chlorophyll, and α-pheophytin) but only AL significantly boosted α-tocopherol levels (up to 3.7-fold). Extraction of major polar phenols (chlorogenic acid, oleuropein, and hydroxytyrosol) was poor (<42 mg/kg oil). Oleanolic and maslinic acids, from OL and OP, reached up to 650 and 260 mg/kg. The IP values correlated (<i>r</i> = 0.796, <i>p</i> = 0.002) only with total polar phenol content. Maceration with OP resulted in superior antioxidant activity, extending the predicted shelf-life from 14 to 22.3 months, reaching that of a hydroxytyrosol-rich extra-virgin olive oil (24.9 months). GC-MS revealed the dominance of volatile acids in OL- and OP-VAOs, and estragole in AL-VAO highlighting some organoleptic and safety challenges to be considered, particularly when aiming to exploit these materials for the enhancement of the oxidative stability of VAOs to sustain its production. Pomace ; Maceration (sewage) ; Food science ; Chemistry ; Olive oil ; Horticulture ; Botany ; Biology Edible Oils Quality and Analysis ; Botanical Research and Applications ; Essential Oils and Antimicrobial Activity
Authors: Zhifeng Chen | Wen‐ling Liu | Zijin Zeng | Zhihong Yan | Li L | Yi Liu | Xianshuo Cao
Source: International Journal of Nanomedicine (article, 2025-08-01)
Field: Materials Science — Biomaterials

Construction of Active-Passive Dual-Targeted Drug-Loaded Micelle Nanoparticles with Modified Dopamine Molecules for Efficient Anti-Tumor Therapy The dopamine derivative Man-2PBA-DAO-constructed dual active-passive targeting nano micelles enabled precise delivery and controllable release of Cur, offering new prospects for dopamine-based drug delivery in lung cancer treatment. Micelle ; Drug ; Materials science ; Nanoparticle ; Dopamine ; Drug delivery ; Dual (grammatical number) ; Molecule ; Drug carrier ; Nanotechnology ; Pharmacology ; Medicine ; Chemistry ; Organic chemistry ; Internal medicine Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Nanocluster Synthesis and Applications
Authors: Christopher P. Kempes | Michael Lachmann | Andrew Iannaccone | G. Matthew Fricke | Melissa Chowdhury | Sara Imari Walker | Leroy Cronin
Source: npj Complexity (article, 2025-09-03)
Field: Materials Science — Materials Chemistry

Assembly theory and its relationship with computational complexity Assembly theory (AT) quantifies selection using the assembly equation, identifying complex objects through the assembly index, the minimal steps required to build an object from basic parts, and copy number, the observed instances of the object. These measure a quantity called Assembly, capturing causation necessary to produce abundant objects, distinguishing selection-driven complexity from random generation. Unlike computational complexity theory, which often emphasizes minimal description length via compressibility, AT explicitly focuses on the causation captured by selection as the mechanism behind complexity. We illustrate formal distinctions through mathematical examples demonstrating that the assembly index is fundamentally distinct from complexity metrics like Shannon entropy, Huffman encoding, and Lempel-Ziv-Welch compression. We provide proofs showing that the assembly index belongs to a different computational complexity class compared to these measures and compression algorithms. Additionally, we highlight AT's unique ontological grounding as a physically measurable framework, setting it apart from abstract theoretical approaches to formalizing life that lack empirical measurement foundations. Computer science ; Theoretical computer science Machine Learning in Materials Science ; Origins and Evolution of Life ; Computability, Logic, AI Algorithms
Authors: İpek Küçük | Selenay Sadak | Hülya Silah | Çiğdem Kanbeş Dindar | Burcin Bozal‐Palabiyik | Bengi Uslu
Source: Topics in Catalysis (article, 2025-02-17)
Field: Chemistry — Electrochemistry

Enhanced Electrocatalytic Performance of Eco-friendly Nanomaterial-Based Sensors for the Analysis of Pharmaceutically Important Compounds Abstract Green synthesis is a sustainable alternative to traditional chemical methods for nanomaterial-based sensors because it is more affordable, scalable, and does not involve any harmful contaminants when using green materials’ extracts as stabilizing and reducing agents for nanoparticle synthesis. The green-synthesized nanoparticles are extremely attractive for various pharmaceutical applications. This review article examines the most preferred eco-friendly nanomaterials, their synthesis and characterization, and their pharmaceutical applications based on the selected studies conducted in the last five years. It concludes that the green synthesis methods allow the transformation of metals into nanoparticles or green materials that act as precursors to carbon-based nanomaterials. The nanoscale materials obtained through green synthesis methods contribute to low toxic, environmentally benign, easy, and low-cost sensing and enhanced electrocatalytic performance. Nanomaterials ; Environmentally friendly ; Nanotechnology ; Green chemistry ; Nanoparticle ; Materials science ; Catalysis ; Chemistry ; Organic chemistry Electrochemical Analysis and Applications ; Electrochemical sensors and biosensors ; Nanomaterials for catalytic reactions
Authors: Huihua Bi | Zhizheng Chen | Chong−Wen Bi | Shuanglin Qu | Jie Liu
Source: Nature Communications (article, 2025-08-04)
Field: Chemistry — Inorganic Chemistry

Electroreductive amination of carboxylic acids by cobalt catalysis Catalytic reduction of carboxylic acids to valuable chemicals is highly desirable yet challenging for both biomass conversion and organic synthesis. Here we describe an efficient and sustainable electrocatalytic hydrogenation of carboxylic acids with amines utilizing protons as the hydrogen source. The application of an earth-abundant cobalt complex enables electrochemical generation of a cobalt-hydride intermediate, which serves as the key catalytically active species for this reductive process. Obviating the need for flammable H<sub>2</sub> gas or sensitive hydrides, this general hydrogenative coupling of carboxylic acids with amines and nitroarenes allows producing a wide range of structurally diverse complex alkylamines under mild electrocatalytic conditions. Furthermore, the practicality and versatility of this protocol are demonstrated through its application in valuable isotope labeling using readily available deuterium sources. Cobalt ; Reductive amination ; Catalysis ; Chemistry ; Hydride ; Combinatorial chemistry ; Electrochemistry ; Amination ; Carboxylic acid ; Hydrogen ; Organic chemistry ; Electrode Asymmetric Hydrogenation and Catalysis ; Radical Photochemical Reactions ; Sulfur-Based Synthesis Techniques
Authors: Milena Corredig | Anna Millqvist‐Fureby | Henrik Hansson | Andrew Jackson | Maud Langton | Selma Maric | Emma Nordell | Tommy Nylander | Marjorie Ladd-Parada | Jens Risbo | Elisabet Rytter | Anna Ström | Francisco Vilaplana | Niklas Lorén
Source: Food Hydrocolloids (article, 2025-06-18)
Field: Materials Science — Materials Chemistry

Boosting structural food science using X-ray and neutron techniques Knowledge about food structures at different length scales is key for the continued development of sustainable, tasty and healthy foods. It is critical to control, model and predict the supramolecular architecture of foods along the whole value chain: from raw materials, to their changes during processing, all the way to how products form structures during consumption and digestion. Today, advanced physical methods enable us to obtain structural information from the nanoscale- to the microscale with unprecedented resolution. The structural details can then relate to the mesoscale and microscale functionalities, important for the appeal and consumption of food products. X-ray and neutron techniques expand and strengthen the food structure characterisation toolbox. They enable in situ and in operando investigations with greater detail as well as new types of measurements that are not possible with other techniques. The knowledge gained will complement compositional and functional data obtained by other techniques, providing robustness to the interpretation of complex structural information. There are several intrinsic scientific challenges to overcome: from the lack of relevant sample environments to advanced data processing and modelling tools that consider the complexity of the food. The new frontier in food structural science can be gained through interdisciplinary collaborations not only in academia but also from the wider innovation ecosystem. This review showcases how the use of X-ray and neutron techniques is already leading to transformational knowledge in structural food science with a perspective that points to the future of this new multidisciplinary discipline. • X-ray and neutron techniques expand the food structure characterisation toolbox • in situ and in operando investigations provide transformative knowledge • X-rays and neutrons can be combined with other powerful techniques • Data handling and mathematical models must be developed • Relevant sample environments are needed Boosting (machine learning) ; X-ray ; Materials science ; Chemistry ; Nanotechnology ; Computer science ; Physics ; Nuclear physics ; Artificial intelligence Enzyme Structure and Function ; Food composition and properties ; Proteins in Food Systems
Authors: Hongrang Chen | Wenqi Wang | Yajuan Li | Lei Shu | Ni Fan | Henny C. van der Mei | Konglin Wu | Tang Yan | Lei Shi | Xianwen Wang
Source: Nano Research (article, 2025-08-08)
Field: Materials Science — Materials Chemistry

V <sub>o</sub>-AgFeO <sub>2− <i>x</i> </sub> nanozymes treat infected wounds and promote wound healing Effectively controlling bacterial infections and reducing oxidative stress and inflammatory reactions are important steps in wound healing. However, owing to the improper use of antibiotics and inadequate control of infections in recent years, the emergence of many broad-spectrum drug-resistant strains has exacerbated the threat of infected wounds to human health. Recent studies have shown that bimetallic nanozymes may become an effective means of treating drug-resistant bacterial infections because of their unique physical properties and excellent antibacterial properties. In this study, silver iron bimetallic nanozymes with multiple enzyme activities (peroxidase, glutathione peroxidase, and superoxide dismutase) were successfully synthesized for the treatment of skin wounds. Notably, the prepared V<sub>o</sub>-AgFeO<sub>2–<i>x</i></sub> exhibited different enzyme activities under different pH conditions. In acidic environments, V<sub>o</sub>-AgFeO<sub>2–<i>x</i></sub> can catalyze H<sub>2</sub>O<sub>2</sub> to generate reactive oxygen species (ROS), deplete glutathione (GSH), and kill bacteria. In a neutral environment, V<sub>o</sub>-AgFeO<sub>2−<i>x</i></sub> can eliminate free radicals, control inflammatory reactions, and accelerate wound healing. <i>In vivo</i> experiments have shown that V<sub>o</sub>-AgFeO<sub>2−<i>x</i></sub> can promote the healing of infected wounds and has good biological safety. These findings suggest that it can be used as a safe and efficient antibacterial drug to achieve effective treatment of bacterial infection-induced wounds. Wound healing ; Materials science ; Nanotechnology ; Medicine ; Chemistry ; Surgery Advanced Nanomaterials in Catalysis ; Nanoparticles: synthesis and applications
Authors: Katelyn A. Tisdale | Shalini K. Wijeyatunga | M. J. Graham | Perla Y. Sauceda‐Oloño | Andrew G. Tennyson | Ashlyn D. Smith | Rhett C. Smith
Source: Journal of Polymers and the Environment (article, 2025-02-01)
Field: Materials Science — Polymers and Plastics

High Strength Composites from Wastewater Sludge, Plant Oils, and Fossil Fuel By-Product Elemental Sulfur Abstract Herein high-strength composites are prepared from elemental sulfur, sunflower oil, and wastewater sludge. Fats extracted from dissolved air flotation (DAF) solids were reacted with elemental sulfur to yield composite DAFS (10 wt% DAF fats and 90 wt% sulfur). Additional composites were prepared from DAF fat, sunflower oil and sulfur to give SunDAF x ( x = wt% sulfur, varied from 85–90%). The composites were characterized by spectroscopic, thermal, and mechanical methods. FT-IR spectra revealed a notable peak at 798 cm –1 indicating a C–S stretch in DAFS , SunDAF 90 , and SunDAF 85 indicating successful crosslinking of polymeric sulfur with olefin units. SEM/EDX analysis revealed homogenous distribution of carbon, oxygen, and sulfur in SunDAF 90 and SunDAF 85 . The percent crystallinity exhibited by DAFS (37%), SunDAF 90 (39%), and SunDAF 85 (45%) was observed to be slightly lower than that of previous composites prepared from elemental sulfur and fats and oils. DAFS and SunDAF x displayed compressive strengths (26.4–38.7 MPa) of up to 227% above that required (17 MPa) of ordinary Portland cement for residential building foundations. The composite decomposition temperatures ranged from 211 to 219 °C, with glass transition temperatures of − 37 °C to − 39 °C. These composites thus provide a potential route to reclaim wastewater organics for use in value-added structural materials having mechanical properties competitive with those of commercial products. Materials science ; Sulfur ; Composite material ; Fossil fuel ; Waste management ; Mechanical strength ; Metallurgy Synthesis and properties of polymers ; Tribology and Wear Analysis ; Epoxy Resin Curing Processes
Authors: Jana Michailidu | Anna Miškovská | Irena Kolouchová | Alena Čejková | Olga Maťátková
Source: Journal of Cannabis Research (article, 2025-04-12)
Field: Materials Science — Materials Chemistry

Antibacterial properties of silver and gold nanoparticles synthesized using Cannabis sativa waste extract against Pseudomonas aeruginosa This study successfully demonstrated the synthesis of silver and gold nanoparticles using Cannabis sativa waste extract and highlighted their potent antimicrobial properties. It underscores the potential of utilizing plant waste extracts in sustainable nanomaterial synthesis and contributes to the fields of green nanotechnology and waste valorization within the circular economy. The findings also offer valuable insights into developing natural waste source-based antimicrobial agents. Pseudomonas aeruginosa ; Cannabis sativa ; Antibacterial activity ; Nanoparticle ; Silver nanoparticle ; Chemistry ; Microbiology ; Materials science ; Nuclear chemistry ; Nanotechnology ; Bacteria ; Biology ; Botany Nanoparticles: synthesis and applications ; Medicinal Plants and Neuroprotection ; Graphene and Nanomaterials Applications
Authors: Kathryn N. Suh | Yeongeun Lee | Seongeun Baek | Jae‐Seok Kim | Jinbeom Seo | Yung‐Hun Yang | Won‐Young Lee | Eun Kyoung Seo | Wooseong Kim
Source: Frontiers in Pharmacology (article, 2025-05-15)
Field: Chemistry — Organic Chemistry

Bakuchiol kills Staphylococcus aureus persisters and potentiates colistin activity against Acinetobacter baumannii persisters Infections associated with bacterial persisters are challenging to cure because they can evade antibiotics and regrow, often resulting in relapse. Current antibiotics are not optimized to target persisters, highlighting the urgent need for new therapeutics. Here, we report that bakuchiol, a plant-derived natural product, exhibits anti-persister and adjuvant properties. Bakuchiol eradicates persisters formed by the gram-positive bacterium <i>Staphylococcus aureus</i> at 8 μg/mL and, in combination with 1 μg/mL colistin, completely eliminates persisters formed by the gram-negative bacterium <i>Acinetobacter baumannii</i>. Mechanistic analyses revealed that bakuchiol selectively disrupted bacterial membrane phospholipids while sparing mammalian membranes and exhibited low cytotoxicity. In <i>Acinetobacter baumannii</i> persisters, bakuchiol likely damages phospholipid patches in the outer membrane, causing nominal lethality but facilitating membrane permeabilization. This activity synergizes with colistin, which targets the lipooligosaccharide layer, resulting in the mutual reinforcement of their bactericidal effects. These findings highlight the potential of dual glycolipid-phospholipid targeting as a strategy to combat gram-negative persisters and highlight natural products as valuable sources for anti-persister therapeutics with membrane selectivity. Acinetobacter baumannii ; Microbiology ; Colistin ; Multidrug tolerance ; Staphylococcus aureus ; Antibiotics ; Biology ; Acinetobacter ; Bacterial outer membrane ; Bacteria ; Biofilm ; Escherichia coli ; Pseudomonas aeruginosa ; Biochemistry ; Gene Synthesis of Indole Derivatives ; Cancer therapeutics and mechanisms ; Bioactive natural compounds
Authors: A. Mohammed
Source: RSC Advances (review, 2025-01-01)
Field: Materials Science — Materials Chemistry

Nitrogen-doped carbon dots in food sensing: a review of detection mechanisms and applications Ensuring food safety is an escalating global priority due to the rising risk of contamination and the necessity for meticulous monitoring of food quality. Fluorescent nanomaterials, specifically carbon dots (CDs), have garnered interest among new technologies for their potential in sensitive and speedy detection systems. Nitrogen doping has become a pivotal approach for augmenting the optical and electrical characteristics of carbon dots, owing to nitrogen's elevated electronegativity and its capacity to produce functional groups and trap states that enhance photoluminescence and sensor efficacy. Nitrogen-doped carbon dots (N-CDs) have exceptional biocompatibility, stability, and adjustable fluorescence, rendering them suitable for food safety applications. This review article presents an overview of the synthesis methods for N-CDs and their application in food sensing. Particular uses encompass the identification of heavy metals, antibiotics, food colourants, and spoilage indicators. The review addresses contemporary obstacles in synthesis, reproducibility, and practical integration, while delineating future directions for the advancement of N-CD-based sensing in food safety monitoring. Food spoilage ; Food safety ; Rendering (computer graphics) ; Carbon fibers ; Food packaging ; Photoluminescence ; Fluorescence Carbon and Quantum Dots Applications ; Advanced Nanomaterials in Catalysis ; Melamine detection and toxicity
Authors: Tasneem Juzer | Ranjani Soundharajan | S. Hemalatha
Source: Discover Nano (article, 2025-06-12)
Field: Materials Science — Materials Chemistry

Camellia sinensis mediated silver nanoparticles: eco-friendly antimicrobial agent to control multidrug resistant Gram-positive Staphylococcus aureus Staphylococcus aureus provokes several clinical infections, and its treatment remains challenging due to the rise of multidrug-resistant strains. In the current scenario it's a vital need for alternative strategies to control the spread of MDR S. aureus. Therefore, considerable effort has been put forth to develop green nanoparticles. Camellia sinensis is enriched with phytocompounds with potent antibacterial properties. Green synthesis strategy is more sustainable and non-toxic compared to traditional chemical processes. CsAgNps was synthesized by mixing 1 part of fresh extract of C. sinensis extract with 2 parts of 1mM silver and employing photocatalytic reduction for the period of 8 h until visible colour change was observed. Synthesized CsAgNps were characterized by employing various techniques to study the size, charge, topography and elemental composition. According to the findings of the in-silico analysis, phytocompounds of C. sinensis including Protopine, Ellagic acid, Catechin and Techtochrysin were recognized as potential lead compounds against various virulent targets in S. aureus. CsAgNps were tested for its antimicrobial and antibiofilm activity in MDR and MTCC (1430). The study results showed that it controls growth and biofilm formation of strains at the concentration of 12.5 µg/mL. The potential lead compounds against various virulent targets in S. aureus were analyzed using in-silico technique. Future research in the development of healthcare products will focus on optimization of ecofriendly material with targeted and sustainable release and enhancing antimicrobial efficacy particularly on MDR pathogens. CsAgNps can be incorporated to develop nano-based health care products to control antibiotic resistant S. aureus infections. Staphylococcus aureus ; Antimicrobial ; Camellia sinensis ; Gram ; Multiple drug resistance ; Microbiology ; Multi drug resistant ; Methicillin-resistant Staphylococcus aureus ; Gram-negative bacteria ; Traditional medicine ; Biology ; Medicine ; Antibiotics ; Bacteria ; Escherichia coli ; Botany ; Biochemistry Nanoparticles: synthesis and applications ; Medicinal Plants and Neuroprotection ; Essential Oils and Antimicrobial Activity