jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Mariana Barros | Pau Arroyo | J.A. Sáez | Salvador Gil | Margarita Parra | Susana P. G. Costa | M. Manuela M. Raposo | Pablo Gaviña
Source: Royal Society Open Science (article, 2025-02-01)
Field: Materials Science — Materials Chemistry

Push–pull fluorophores based on NHS esters of bithiophene for labelling of biomolecules containing primary amines Fluorescent labelling is a versatile tool to visualize biomolecules containing primary amines in their cellular environment, allowing the study of their function or interactions. Here, three organic fluorophores that can irreversibly bind to the primary amine group on the target biomolecule are reported. They consist of push-pull heterocyclic dyes based on bithiophene and incorporating a terminal <i>N</i>-hydroxysuccinimidyl ester as a reactive group for labelling primary amine groups from biomolecules as (poly)amines, peptides or proteins. Their potential as chemosensors for primary amines, using N<sub>α</sub>-Boc protected amino acid l-lysine as a model, was assessed through UV-Visible, fluorescence and <sup>1</sup>H NMR titrations. Biomolecule ; Labelling ; Amine gas treating ; Primary (astronomy) ; Chemistry ; Fluorescence ; Titration ; Combinatorial chemistry ; Organic chemistry ; Biochemistry Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Analytical Chemistry and Sensors
Authors: Sangki Park | Nam Ryeol Kim | Minhyeok Park | Ji Wu Jang | Cheol-Min Yang
Source: Advanced Composites and Hybrid Materials (article, 2025-11-22)
Field: Materials Science — Materials Chemistry

Simultaneous enhancement of thermal conductivity and fire retardancy in polymer composites using P/N co-doped graphene microspheres The rapid accumulation of heat in microelectronic and energy-storage devices critically limits their performance, lifespan, and safety and necessitates the development of multifunctional polymer composites with high thermal conductivity and fire retardancy. Herein, we present a simple and scalable spray-drying and heat-treatment approach for the fabrication of heteroatom-doped spherical reduced graphene oxide (PN-S-rGO) microspheres, which simultaneously delivers P/N co-doping and tunable crystallinity. The unique spherical morphology of PN-S-rGO facilitates an isotropic heat-transfer behavior, resulting in a high ratio of through-plane to in-plane thermal conductivity (0.9) in an epoxy composite. Furthermore, incorporating PN-S-rGO with graphene nanoplatelets (GnPs) as hybrid fillers significantly improves the filler dispersion, promotes an isotropic orientation, and enhances interfacial interactions between the filler and epoxy matrix, leading to efficient thermal pathways and robust fire-retardant networks. The optimized hybrid composite (10 wt% GnPs and 40 wt% PN-S-rGO treated at 800 °C) exhibited outstanding thermal conductivities of 3.72 W/mK (in-plane) and 1.74 W/mK (through-plane), along with excellent fire retardancy, as characterized by a limiting oxygen index of 29% and 75% reduction in the peak heat-release rate compared to that of pure epoxy. These simultaneous enhancements are attributable to mechanisms that operate in synergy, including contributions from thermal bridging, catalytic carbonization, gas-phase radical quenching, and the formation of compact char layers. This study demonstrated a promising strategy for the development of high-performance polymer composites for use in advanced thermal-management and fire-safe applications in next-generation electronics, electric vehicles, and energy-storage systems. Thermal conductivity ; Graphene ; Epoxy ; Composite number ; Char ; Microelectronics ; Fabrication ; Limiting oxygen index Thermal properties of materials ; Flame retardant materials and properties ; Fiber-reinforced polymer composites
Authors: Patrycja Jaroniek | Marek Brzeziński | Magdalena Chmiela | Weronika Gonciarz
Source: Scientific Reports (article, 2025-04-24)
Field: Chemistry — Organic Chemistry

Doxorubicin loaded polylactide nanoparticles functionalized histamine promote apoptosis of human gastric cancer cells AGS Gastric cancer is a dominating cause of cancer-related deaths in the world. The modern perspective in gastric cancer treatment is the application of nanoparticles (NPs) affecting the growth of cancer cells to increase the effectiveness of anti-tumor therapy. The use of advanced nanosystems that deliver anti-cancer drugs and biologically active substances may strongly rely on the expression of cancer-associated targets. The aim of this study was to examine the synergistic effect of doxorubicin (DOX) and histamine (His) in NPs DOX-loaded composed of poly(lactic) acid -PLA with histamine end groups (NPs-His-DOX) towards human gastric cancer cells (AGS) in vitro in conjunction with increasing oxidative stress, DNA damage, and cell apoptosis, as well as diminishing cell proliferation. The influence of studied NPs on the expression of intracellular adhesion molecule (ICAM)-1, which may facilitate the cytotoxic reaction of lymphocytes against gastric cancer cells, has also been determined. We showed a significant (p < 0.05) synergistic effect of His and DOX in the NPs His-DOX in increasing oxidative stress as demonstrated by an increased level of 4-hydroxynonenal (4HNE), DNA damage, cell apoptosis, in conjunction with a significant (p < 0.05) inhibition of cell proliferation as well as the disintegration of the cell monolayer. Furthermore, NPs His-DOX upregulated a cell deposition of ICAM-1. This study shows that NPs His-DOX facilitates the delivery of the anticancer drug DOX into the milieu of cancer cells, which results in increased cell death. Furthermore, upregulation of ICAM-1 on gastric cancer cells may increase anti-tumor cytotoxic activity of immunocompetent cells. Histamine ; Apoptosis ; Doxorubicin ; Nanoparticle ; Cancer cell ; Chemistry ; Cancer ; Cancer research ; Pharmacology ; Medicine ; Materials science ; Nanotechnology ; Biochemistry ; Chemotherapy ; Internal medicine Nanomaterials for catalytic reactions ; Nanoparticle-Based Drug Delivery ; Click Chemistry and Applications
Authors: Christina Megetho Gkaliouri | Nickolas Rigopoulos | Zacharias Ioannou | Efstathios Giaouris | Κωνσταντίνος Γιαννακόπουλος | Kosmas Ellinas
Source: Sustainability (article, 2025-10-08)
Field: Materials Science — Biomaterials

Development and Characterization of Sustainable Antimicrobial Food Packaging Films with Incorporated Silver Nanoparticles Synthesized from Olive Oil Mill By-Products The growing accumulation of non-biodegradable petrochemical plastics and increasing food waste present urgent environmental and public health challenges. This study addresses both issues by developing biodegradable food packaging films from agar and starch, enhanced with antimicrobial properties by incorporating silver nanoparticles. The innovation of this work is the synthesis of novel agar–starch–silver nanoparticle coatings, where the contained nanoparticles were produced via green methods using two agro-industrial by-products of Greek olive oil production—olive stone extract and olive mill wastewater—as reducing agents. The morphology of the novel coatings was confirmed using transmission electron microscopy combined with energy-dispersive X-ray spectroscopy, revealing nanoscale particles with variable sizes. Additional film characterization was performed through Fourier-transform infrared spectroscopy, scanning electron microscopy coupled with energy-dispersive spectroscopy, and surface profilometry. Infrared spectroscopy analysis suggested the presence of functional groups responsible for nanoparticle stabilization, while energy-dispersive X-ray spectroscopy revealed silver aggregation in both olive stone extract and olive mill wastewater-derived films. Profilometry showed that films with olive mill wastewater-based nanoparticles had a rougher surface than those synthesized from olive stone extract. Antibacterial efficacy was tested against Escherichia coli (Gram-negative) and Staphylococcus epidermidis (Gram-positive) using a spot-on-film assay with high (106 CFU/film) and low (103 CFU/film) bacterial loads. After 72 h of incubation at 4 °C, both film types showed strong antibacterial activity at high bacterial concentrations, demonstrating their potential for active food packaging. These findings highlight a promising approach to sustainable food packaging within the circular economy, utilizing agricultural waste to create biodegradable materials with effective antimicrobial functionality. Silver nanoparticle ; Food packaging ; Antimicrobial ; Nanoparticle ; Food industry ; Scanning electron microscope ; Antibacterial activity Nanocomposite Films for Food Packaging ; Dyeing and Modifying Textile Fibers ; Nanoparticles: synthesis and applications
Authors: Ban M.S. Saeed | Shaker A.N. Al-Jadaan | Basil A. Abbas
Source: Iranian Journal of Medical Microbiology (article, 2025-03-30)
Field: Chemistry — Organic Chemistry

Synthesis and Evaluation of 4-[5-((4-hydroxybenzylidene) amino)-1,3,4-thiadiazol-2-yl] Phenol Compound Biological Activities Background and Aim: The 1,3,4-thiadiazole molecule has a heterocyclic structure in several medications and natural products.It is an essential part of several pharmacological classes, such as antibacterial, anti-inflammatory, analgesic, antiviral, antineoplastic, and anti-tubercular drugs.Thiadiazole compounds have attracted interest in the field of medicinal chemistry because of their biological and pharmacological activities, especially their anticancer capacities.This study aimed to synthesize a new phenol compound with antibacterial and anticancer efficacy.The relationship between Schiff-base and antibacterial and antitumor actions was studied. Materials and Methods:The microwave approach was employed to create the novel compound known as 4-[5-((4hydroxybenzylidene) amino)-1,3,4-thiadiazol-2-yl] phenol.Its composition was validated by analyzing several elements, including FT-IR, 1H-NMR, and 13 C-NMR.The biological activity of Gram-positive and Gram-negative bacteria was examined using four different bacterial isolates.This was observed through the plate-hole diffusion method.The anticancer efficacy of the compound was evaluated against prostate cancer cells. Results:The synthesized phenol compound demonstrated enhanced anticancer activity against prostate cancer cells in vitro but no effect on normal cells.Its minimum inhibitory concentration (MIC) for Klebsiella pneumoniae and Bacillus cereus was 1 mg/ml, while it was determined 3 and 5 mg/ml for Staphylococcus aureus and Escherichia coli, respectively. Conclusion:The synthesized compound showed favorable antibacterial and anticancer activities.It offers potential for subsequent research on a new Schiff-base with higher efficiency, lower toxicity, and higher selectivity in these activities. Phenol ; Chemistry ; Medicine ; Combinatorial chemistry ; Stereochemistry ; Pharmacology ; Organic chemistry Synthesis and biological activity ; Synthesis and Characterization of Heterocyclic Compounds ; Synthesis and Biological Evaluation
Authors: Thị Chinh Ngo | Dinh Hieu Truong | Thi Lê Anh Nguyen | Quang Khuong Pham | Duy Quang Dao
Source: Royal Society Open Science (article, 2025-02-01)
Field: Chemistry — Organic Chemistry

Are natural-based isothiocyanate derivatives alternative antioxidant additives used in petrochemical products? Synthetic additives used in petrochemical products, such as plastics, rubbers, resins and polymers, can enter the environment as contaminants and pollute the aquatic and soil environment. Thus, using natural-based alternative compounds has excellent potential to reduce the negative impact. In this study, the role of natural-based isothiocyanate derivatives Cp<b>1</b>-Cp<b>4</b>, i.e. allylisothiocyanate, 1-isothiocyanate-3-methylbutane, 4-methylphenyl isothiocyanate and 2-phenylethyl isothiocyanate in use as primary antioxidant additives was studied via their HO<sup>•</sup>-radical scavenging activity. Formal hydrogen transfer, radical adduct formation and single electron transfer mechanisms were investigated in water and pentyl ethanoate (PEA) using density functional theory at M06-2X/6-311++G(3df,3pd)//M06-2X/6-311++G(d,p) level of theory. The results illustrated the high HO<sup>•</sup>-scavenging activity of the isothiocyanate compounds with rate constants of about 10<sup>8</sup>-10<sup>9</sup> M<sup>-1</sup> s<sup>-1</sup>. Allylisothiocyanate Cp<b>1</b> represents the most efficient HO<sup>•</sup>-scavenger with <i>k</i> <sub>overall</sub> of 5.20 × 10<sup>9</sup> M<sup>-1</sup> s<sup>-1</sup> in water and 1.85 × 10<sup>9</sup> M<sup>-1</sup> s<sup>-1</sup> in PEA. These results allow us to enrich the data on effective antioxidant additives from natural sources to reduce HO<sup>•</sup> radicals-induced oxidation processes in different environmental conditions. Isothiocyanate ; Chemistry ; Antioxidant ; Radical ; Petrochemical ; Scavenger ; Adduct ; Organic chemistry ; Allyl isothiocyanate Free Radicals and Antioxidants ; Photochemistry and Electron Transfer Studies ; Atmospheric chemistry and aerosols
Authors: T Ashwini | Sanjay Garg | Padmaja A. Shenoy | Chandrashekhar Raghu | Yogendra Nayak | Usha Y. Nayak
Source: Journal of Applied Pharmaceutical Science (article, 2025-01-01)
Field: Chemistry — Analytical Chemistry

A quality by design approach with comprehensive green analytical chemistry assessment: Development, validation, and application of a high-performance liquid chromatographic method for quantifying meropenem trihydrate in nanosponges and marketed formulations Meropenem trihydrate (MPN), pivotal in antimicrobial therapeutics, necessitates accurate analytical methods for its quantification across pharmaceutical formulations. The research aimed to develop a Quality by Design (QbD)-driven high-performance liquid chromatography (HPLC) method and validate it for the quantification of MPN in traditional and novel formulations, with a focus on environmental sustainability. The study employed a QbD approach to develop an HPLC method, ensuring its robustness and adaptability. The method’s universality was evaluated in both traditional powders for injection formulation and a novel beta-cyclodextrin nanosponges formulation. Rigorous validation was conducted per the International Conference on Harmonisation Q2 (R1) guidelines, including extensive stability and degradation studies to ascertain the method’s tenacity under multifarious conditions. The QbD-driven HPLC method showcased impeccable precision and accuracy, with a recovery rate of 99% for the marketed product and an encapsulation efficiency of 88.7% for nanosponges. Furthermore, seven different green analytical chemistry tools were used, and they indicated a significant reduction in environmental impact compared to pre-existing methodologies. In conclusion, our QbD-driven HPLC method for MPN quantification melds technical prowess with environmental responsibility, signifying a noteworthy stride in pharmaceutical research. The method’s high precision and stability assessment provide clinicians with a reliable tool for ensuring accurate dosing in critically ill patients, ultimately enhancing therapeutic efficacy and reducing treatment failure risks. Furthermore, the method supports sustainable drug analysis, minimizing ecological hazards associated with pharmaceutical waste. The method’s adaptability and greenness set a benchmark for future analytical methodologies, emphasizing analytical rigor, and ecological conscientiousness. Quality by Design ; Chromatography ; Quality (philosophy) ; Meropenem ; Chemistry ; Biochemical engineering ; Engineering ; Antibiotics ; Physics Analytical Methods in Pharmaceuticals ; Antibiotics Pharmacokinetics and Efficacy ; Electrochemical Analysis and Applications
Authors: Zhong Zheng | Soukaina Benchaouia
Source:  (article, 2025-03-28)
Field: Materials Science — Materials Chemistry

Enhanced Sensitivity and Durability of f-MXene/MXene/PU Sponge-Based Pressure Sensors for Real-Time Health Monitoring Abstract: The development of flexible and wearable pressure sensors has gained significant attention due to their potential applications in health monitoring, robotics, and human-machine interfaces. However, existing pressure sensors face challenges such as limited sensitivity, narrow detection ranges, and difficulties in scalable fabrication. In this study, we propose a novel multi-layer f-MXene/MXene/PU sponge-based flexible pressure sensor, designed to address these limitations. The sensor was fabricated using a dip-coating method, where functionalized MXene (f-MXene) and MXene nanosheets were sequentially deposited onto a polyurethane (PU) sponge substrate. This structure enhances the sensor's mechanical flexibility, electrical conductivity, and air permeability while preserving its compressibility. Experimental results demonstrate that the optimized multilayer f-MXene/MXene/PU sensor exhibits a high-sensitivity of 7.4 kPa-1 over a broad pressure-sensing range of 58 kPa. Additionally, the sensor features rapid response and recovery times (340 ms and 300 ms, respectively) and maintains stable performance over 200 consecutive loading–unloading cycles, indicating strong durability. Application tests further validate its capability to detect a wide range of pressures, from subtle touch interactions (e.g., finger pressing) to high-force applications (e.g., foot stepping). These findings highlight the potential of MXene-based composite sensors in wearable electronics and real-time pressure monitoring. Future research should focus on enhancing the long-term stability of MXene against oxidation and integrating wireless communication modules for smart sensor applications. Durability ; Sensitivity (control systems) ; Materials science ; Sponge ; Pressure sensor ; Composite material ; Engineering ; Mechanical engineering ; Electronic engineering MXene and MAX Phase Materials ; Advanced Sensor and Energy Harvesting Materials ; 2D Materials and Applications
Authors: Anand Kumar Yadav | Gurdeep Singh | Mukesh Singh
Source: Journal of Advanced Scientific Research (article, 2025-04-28)
Field: Materials Science — Biomaterials

Current Status and Future Prospect of Receptor Targeted Nanocarrier Delivery of Cancer Therapeutics Cancer is an intricate and prevalent disease affecting millions of people worldwide. While conventional treatments like radiation therapy and chemotherapy remain standard approaches, they often come with severe side effects and unintentional damage to healthy cells. In response to these challenges, targeted drug delivery systems have developed as a promising strategy in cancer therapy. These systems offer the advantage of delivering drugs directly to cancer cells, mitigating toxicity to surrounding normal tissues and enhancing treatment efficacy. This review provides a comprehensive analysis of the current landscape of targeted drug delivery systems in cancer treatment. It explores the different types of these systems, their mechanisms, and associated challenges, such as drug resistance, stability, and scalability. Additionally, recent advancements in nanotechnology, receptor-targeted approaches, and stimuli-responsive drug delivery methods will be discussed, highlighting their potential to improve precision in cancer treatment. Furthermore, this review examines future research directions, including the integration of artificial intelligence in drug design, the development of multifunctional nanocarriers, and the incorporation of immunotherapeutic agents. By assessing both the progress and potential of targeted drug delivery systems, this review aims to underscore their significance in revolutionizing cancer therapy. Ultimately, these innovations hold the potential of enhancing treatment outcomes, mitigating side effects, and improving the quality of life for cancer patients. Nanocarriers ; Medicine ; Drug delivery ; Targeted drug delivery ; Cancer ; Targeted therapy ; Cancer therapy ; Drug ; Cancer treatment ; Risk analysis (engineering) ; Pharmacology ; Nanotechnology ; Internal medicine Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Graphene and Nanomaterials Applications
Authors: Wu Yi | Zhongyuan Luo | Yucheng Wang | Chengwei Xu | Yuanzhe Li
Source: Polymers (article, 2025-11-06)
Field: Materials Science — Materials Chemistry

Chitosan-Grafted Graphene Oxide-Reinforced Bio-Based Waterborne Epoxy Nanocomposites for Antibacterial and Corrosion Resistance in Tropical Marine Environments: A Mini-Review Epoxy resin coatings are widely employed for steel protection owing to their excellent adhesion, chemical stability, mechanical strength, and barrier properties. However, conventional bisphenol A-based resins and organic solvents may pose risks to reproductive, developmental, and immune systems, as well as contribute to atmospheric pollution. This mini-review critically evaluates recent advancements in fully waterborne bio-based epoxy nanocomposites as sustainable alternatives, with particular emphasis on their enhanced antibacterial and corrosion-resistant performance in tropical marine environments. A central focus is the role of chitosan-grafted graphene oxide (Chi-GO) as a multifunctional nanofiller that significantly enhances both antibacterial efficacy and barrier capabilities. For instance, coatings reinforced with Chi-GO exhibit up to two orders of magnitude lower corrosion current density than pristine epoxy coatings, and achieve over 95% bacterial inhibition against <i>Escherichia coli</i> and <i>Staphylococcus aureus</i> at a 1 wt.% loading. The review summarizes key synthesis methods, functional modification techniques, and commonly adopted evaluation approaches. Emerging research further underscores environmental performance metrics, including reduced volatile organic compound (VOC) emissions and improved life-cycle assessments. By integrating bio-based polymer matrices with Chi-GO, these composite systems present a promising pathway toward environmentally benign and durable protective coatings. Nevertheless, critical challenges concerning scalability and long-term stability under real-world operating conditions remain insufficiently addressed. Future research should emphasize scalable manufacturing strategies, such as roll-to-roll processing, and conduct extended tropical exposure testing (e.g., salt spray tests beyond 2000 h). Additionally, developing comprehensive life-cycle assessment (LCA) frameworks will be crucial for sustainable industrial implementation. Epoxy ; Graphene ; Nanocomposite ; Corrosion ; Oxide ; Composite number ; Bisphenol A Corrosion Behavior and Inhibition ; Polymer composites and self-healing ; Natural Fiber Reinforced Composites