jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Eman Zahran | Samia Elbahnaswy | Manar Elsayed | Nehal A. Saif | Mohamed Elhadidy | Engy Risha | Hanan H. Abd‐Elhafeez | Ferdaus Mohd Altaf Hossain | Abdallah Tageldein Mansour | Fatma Ahmed
Source: Aquaculture Research (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Fabrication of Algogenic Zinc Nanoparticles and Assessment of Their Biomimetics Attributes and Potential Antibacterial Efficacy Against Fish Pathogens This study investigates the fabrication of algogenic zinc nanoparticles (ZnNPs), examining their biomimetic properties and potential antibacterial effectiveness against fish pathogens. The rising incidence of antibiotic resistance in aquaculture demands innovative strategies for disease management, highlighting the importance of developing biocompatible and effective antimicrobial agents. In this context, ZnNPs were synthesized using Pediastrum boryanum microalgal extract as the reducing and capping agent. Transmission electron microscopy (TEM) revealed spherical and tetragonal particles with sizes ranging from 32.84 to 26.87 nm. Fourier transform infrared spectroscopy (FTIR) demonstrated distinctive functional groups in the algal extracts and ZnNPs. X‐ray diffraction (XRD) showed pure crystallinity of the fabricated ZnNPs with an average crystalline size of 57.97 nm. The algal extract had high total phenolic (TPC) and flavonoid (TFC) contents (TPC: 53.83 and TFC: 12.44 mg QE/g, respectively). The obtained ZnNPs retained a considerable amount of TPC and TFC (7.92 and 5.31 mg/g, respectively). The microalgal extract and ZnNPs exhibited considerable antioxidant capacity in the 2,2‐Diphenyl‐1‐picrylhydrazyl (DPPH) radical scavenging assay. In addition, they elicited antibacterial efficacy against several bacterial pathogens in fish in a minimum inhibitory concentration (MIC) assay. Brine shrimp lethality assay (BSLA) revealed higher potential cytotoxicity of biosynthesized ZnNPs at 29.28 μg/mL compared to that of the algal extracts at 51.56 μg/mL. These findings highlight the potential of P. boryanum as a green factory for the nanofabrication of metallic nanoparticles (NPs) and as a promising clinical candidate for fish medicine. Biology ; Biomimetics ; Fish <Actinopterygii> ; Zinc ; Nanotechnology ; Materials science ; Metallurgy ; Fishery Nanoparticles: synthesis and applications ; Advanced Nanomaterials in Catalysis
Authors: Anil Balajirao Dapkekar | Jakkula Naveen | Gedu Satyanarayana
Source: Asian Journal of Organic Chemistry (article, 2025-04-01)
Field: Chemistry — Organic Chemistry

Electrochemical Cross‐Coupling Reactions Abstract The last few decades have seen an increase in the significance of green and sustainable synthetic processes for the synthesis of fine chemicals in an attempt to minimize the consumption of fossil fuels and other limited resources. Electrical power offers a cost‐effective, eco‐friendly, and intrinsically safe alternative to conventional reagents for creating new synthetic pathways. In this regard, in recent years, there has been a rapid advancement in the field of electrochemically cross‐coupling reactions. Therefore, this review aims to give a thorough overview of synthetic approaches concentrating on processes that bring new conceptual advancements and the present state of mechanistic understanding, as well as attempts to provide an overview of the area from the past two years (From March 2023 to Jan 2025). Sections are divided according to the kind of bond being constructed, such as C−C bond formation, C−X (hetero), and X−Y (hetero–hetero) bond formation. This instructional review aims to advance the fields of electrochemistry, radical chemistry, and oxidative/reductive cross‐coupling reactions. Chemistry ; Electrochemistry ; Coupling reaction ; Coupling (piping) ; Combinatorial chemistry ; Nanotechnology ; Organic chemistry ; Electrode ; Physical chemistry ; Catalysis ; Metallurgy Radical Photochemical Reactions ; Sulfur-Based Synthesis Techniques
Authors: Srinivasa Kartik Nemani | Nicola Gilli | Steven Goldy | Ankit Kumar | Yooran Im | Austin J. Vorhees | Brian C. Wyatt | Nithin Chandran | Nikhilesh Chawla | Garritt J. Tucker | Laura Silvestroni | Babak Anasori
Source: Advanced Science (article, 2025-04-30)
Field: Materials Science — Materials Chemistry

Ti <sub>3</sub> C <sub>2</sub> T <i> <sub>x</sub> </i> MXene‐Zirconium Diboride Based Ultra‐High Temperature Ceramics MXenes are a family of two-dimensional (2D) transition metal carbides, nitrides, and carbonitrides with potential applications in ceramics and composites due to their nanometer-thick morphology, hydrophilic surfaces, and negative zeta potentials. In this study, we investigated titanium carbide MXene (Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>) as an additive in ultra-high-temperature ceramics (UHTCs), specifically zirconium diboride (ZrB<sub>2</sub>). Homogeneous green bodies of Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> and ZrB<sub>2</sub> were synthesized via electrostatic self-assembly in aqueous media without surfactants and subsequently densified using field-assisted (spark plasma) sintering. The incorporation of 0.5 wt.% MXene enhanced the relative density of ZrB<sub>2</sub> from ≈89% (pure ZrB<sub>2</sub>) to ≈96% under identical sintering conditions. MXene addition significantly reduced the oxygen content from ≈5 at.% in pure ZrB₂ to ≈2-3 at.% at 2.5 wt.% MXene loading. The presence of MXene also facilitates the formation of a core-shell microstructure, where (Zr,Ti)B<sub>2</sub> shells encapsulate ZrB₂ cores, with arrays of dislocations observed at the core-shell interface. Mechanical characterizations show substantial improvements, including a 36% increase in hardness, a ≈12% enhancement in Young's modulus, and a ≈15% increase in flexural strength at 2.5 wt.% MXene loading. These findings demonstrate the potential of MXenes as effective sintering aids and reinforcement agents in UHTCs, offering promising pathways for advancing materials designed for extreme environments. Zirconium diboride ; Zirconium ; Materials science ; Ceramic ; Crystallography ; Metallurgy ; Chemistry MXene and MAX Phase Materials ; Advanced ceramic materials synthesis ; Advanced materials and composites
Authors: Mehmet Karadayı | Ekrem Güllüce | Yusuf Gülşahin | İlknur Çolak | Gökçe Karadayı | Şeyma Aksu | Medine Güllüce
Source: Biomass Conversion and Biorefinery (article, 2025-04-10)
Field: Chemistry — Analytical Chemistry

Molecular docking assisted toxicity assessment of Congo Red and detoxification potential of Fraxinus excelsior L. (Oleaceae) biosorbent application Abstract The increasing use of Congo Red has raised worldwide concern owing to its detrimental impact on aquatic ecosystems and their inhabitants, prompting increased attention to advanced toxicity assessment studies and sustainable bio-removal practices. In the present study, (i) new insights into Congo Red toxicity were obtained using in vitro model systems and a molecular docking approach, (ii) a sustainable biosorbent from F. excelsior biomass was developed, and (iii) the detoxification potential of the biosorbent was investigated for the first time. CR application up to a concentration of 10 ppm caused a significant decrease in physiological parameters. The germination rate of H. annuus L. seeds were reduced to 60%. Moreover, significant decreases were observed in fresh weight (245 ± 0.7 mg), dry weight (25 ± 0.01 mg), root (1.8 ± 0.1 cm), and shoot lengths (3.2 ± 0.2 cm). Significant alterations in oxidant-antioxidant dynamics, including SOD, CAT, POD, and MDA, were observed after CR exposure. Additionally, increasing the CR concentration from 2 to 10 ppm caused a significant reduction in the mitotic index (14.9%) and an increase in chromosomal aberrations (4.9%) in A. cepa root cells. Molecular interactions between CR and target receptors associated with in vitro parameters (SDP1, PCK1, WRKY transcription factors, B-DNA dodecamer, CAT, POD, and SOD) were determined by molecular docking analysis. FEO biosorbent treatment significantly detoxified CR solutions, and improvements in the values of the tested physiological, biochemical, and cytogenetic parameters were observed. The biosorption process included the zero charge point, pH, initial dye concentration, biosorbent dose, stirring speed, and temperature parameters. The FEO biosorbent removed 92% of the CR from the aqueous solutions. Moreover, the Langmuir isotherm model was found to have a higher R2 value of 0.903. The correlation coefficient of the pseudo-second-order kinetic model (R2 = 0.991) was found to be higher. The process was determined as endothermic and spontaneous according to the ∆G values (- 6.36, - 4.47, - 2.59 and - 0.7 kj/mol) found in the thermodynamic studies. These results indicate that FEO biosorbents have valuable features against CR toxicity in aqueous solutions. Oleaceae ; Detoxification (alternative medicine) ; Fraxinus ; Toxicity ; Chemistry ; Botany ; Biology ; Organic chemistry ; Medicine Dye analysis and toxicity ; Adsorption and biosorption for pollutant removal ; Saffron Plant Research Studies
Authors: Arkalekha Mandal | Chris E. Mohn | C.H. Gørbitz | Melania Rogowska | Ola Nilsen
Source: Molecular Systems Design & Engineering (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Elucidating the role of charge transfer on semiconductor properties in a new donor–acceptor cocrystal 1,5-dihydroxynaphthalene : TCNQ In this work, we have investigated the semiconducting properties of an unprecedented 1 : 1 π-stacked donor–acceptor cocrystal of 1,5-dihydroxynaphthalene (DHN) as the π-donor (D) with 7,7′,8,8′-tetracyanoquinodimethane (TCNQ) as the π-acceptor (A). Cocrystal ; Charge (physics) ; Acceptor ; Semiconductor ; Transfer (computing) ; Materials science ; Chemical physics ; Chemistry ; Crystallography ; Optoelectronics ; Condensed matter physics ; Computer science ; Physics ; Molecule ; Quantum mechanics ; Organic chemistry ; Hydrogen bond Organic and Molecular Conductors Research ; Solid-state spectroscopy and crystallography ; Nonlinear Optical Materials Research
Authors: Yiqing Xu | Haoyuan Ding | Tingsong Zhang | Zhongshi Wang | Hongzhen Wang | Lu Zhou | Yujia Dai | Ziyuan Liu
Source: Plants (article, 2025-04-10)
Field: Chemistry — Analytical Chemistry

Small-Sample Authenticity Identification and Variety Classification of Anoectochilus roxburghii (Wall.) Lindl. Using Hyperspectral Imaging and Machine Learning This study aims to utilize hyperspectral imaging technology combined with machine learning methods for the authenticity identification and classification of <i>Anoectochilus roxburghii</i> and its counterfeit species. Hyperspectral data were collected from the front and back leaves of nine species of Goldthread and two counterfeit species (Bloodleaf and Spotted-leaf), followed by classification using a variety of machine learning models, including Support Vector Machine (SVM), K-Nearest Neighbors (KNN), Random Forest (RF), Linear Discriminant Analysis (LDA), and Convolutional Neural Networks (CNN). The experimental results demonstrated that the SVM model achieved 100% classification accuracy for distinguishing Goldthread from its counterfeit species, effectively capturing the spectral differences between the front and back leaves. In contrast, traditional machine learning models showed varied performance, with SVM proving superior due to its ability to handle high-dimensional feature spaces. The introduction of a multi-view spectral fusion CNN model, which integrates spectral data from both the front and back leaves, further enhanced classification accuracy, achieving a perfect classification rate of 100%. This approach highlights the potential of hyperspectral imaging and machine learning in plant authenticity identification and provides a new perspective for the detection of counterfeit species. Hyperspectral imaging ; Identification (biology) ; Plant identification ; Sample (material) ; Pattern recognition (psychology) ; Computer science ; Artificial intelligence ; Biology ; Botany ; Chemistry ; Chromatography Spectroscopy and Chemometric Analyses ; Biological and pharmacological studies of plants ; Medicinal Plants and Neuroprotection
Authors: Wenlong Li | Yuqing Wu | Liuzi Du | Xuefu Shang | Jiyong Shi
Source: Foods (review, 2025-08-28)
Field: Chemistry — Analytical Chemistry

Hyperspectral Imaging for Foreign Matter Detection in Foods: Advances, Challenges, and Future Directions The presence of foreign matter in food poses food safety issues for consumers and directly threatens the food supply chain. In order to ensure food quality and hygiene, promote economic efficiency, and protect consumers' health rights, the rapid, non-destructive detection of foreign matter in food is an urgent task that requires development. Hyperspectral imaging technology can obtain high-resolution spectral information of foreign matter in multiple wavelengths, and it is widely used in food safety testing. However, the cost and size of the system remain obstacles to further development. Additionally, there are currently no effective solutions for acquiring foreign matter samples or for storing and sharing hyperspectral data during production. This review introduces hyperspectral imaging systems, covering both the software and hardware, as well as a series of algorithms for processing spectral images. The focus is on cases of hyperspectral imaging used for foreign matter detection tasks, with an examination of future developments and challenges. Hyperspectral imaging ; Computer science ; Food safety ; Food processing ; Risk analysis (engineering) ; Business ; Artificial intelligence ; Food science ; Biology Spectroscopy and Chemometric Analyses ; Identification and Quantification in Food ; Advanced Chemical Sensor Technologies
Authors: Mohamed K. Y. Soliman | Adel H. Talib | Rania Mahmoud | Zainab Anwar Ali | Halah H. Al-Haideri | Adil Abalkhail | Abdulkarim S. Binshaya | Michèle Salem | Fatimah Al-Otibi | Mohamed Taha Yassin
Source: AMB Express (article, 2025-10-03)
Field: Materials Science — Materials Chemistry

Ecofriendly magnesium oxide nanoparticles: anticancer, antimicrobial, and antidiabetic potentials in vitro This research on bioinspired magnesium oxide nanoparticles (MgO NPs) synthesized using orange peel extract (OPE) holds significant promise for improving the health and quality of life of individuals with disabilities. Phytochemical analysis for OPE was performed using recommended standard procedures, which confirmed that OPE served as a rich source of various essential phytochemicals. Response surface methodology was employed to optimize MgO synthesis and maximize nanoparticle yield. The results obtained from characterization (Uv, XRD, TEM, SEM, Zeta potential, EDX, DLS and FTIR) indicated the semispherical or quasi-spherical shape of MgO NPs with 53.3 nm in the mean size. The MgO NPs displayed antioxidant features, with the value of IC50 180.2 μg/mL. Additionally, MgO NPs had cancer therapy against the HeLa cervical cancerous cell line and (PC3) prostate cancerous cell line, where the IC50 was 179.4 µg/mL and 190.67 µg/mL correspondingly, while showing less toxicity toward the normal Vero cell line. The biosynthesized MgO NPs displayed significant antibacterial activity. The largest zone of inhibition was against Bacillus subtilis (27.57 mm, MIC 62.5 µg/mL), followed by Staphylococcus aureus (18.4 mm, MIC 62.5 µg/mL), Salmonella typhi (18.0 mm, MIC 125 µg/mL), and Klebsiella pneumoniae (16.8 mm, MIC 250 µg/mL). They also showed anti-biofilm activity against S. aureus ATCC 35556 and E. coli ATCC 25922 with inhibition of 69.6 and 55.5% respectively at 200 μg/mL. In addition, Biosynthesized MgO NPs demonstrated significant inhibitory activity against α-amylase as well as α-glucosidase enzymes, with IC50 76.71 μg/mL and 38.8 μg/mL, respectively. HeLa ; Staphylococcus aureus ; IC50 ; Minimum inhibitory concentration ; Magnesium ; Antibacterial activity ; Bacillus subtilis ; Klebsiella pneumoniae ; Zeta potential Nanoparticles: synthesis and applications ; Magnesium Oxide Properties and Applications ; Graphene and Nanomaterials Applications
Authors: Tanima Bhattacharya | Tanmoy Das
Source: Discover Nano (article, 2025-12-04)
Field: Materials Science — Materials Chemistry

Recent progress in biowaste-derived carbon dots for cancer theranostics toward a green solution to toxic metal quantum dots Carbon dots (CDs) have emerged as promising nanomaterials for cancer detection and diagnosis due to their unique optical properties, biocompatibility, and surface functionalization capabilities. Metal Quantum dots (QDs) hold great promise for biomedical applications; however, their potential toxicity due to heavy metal ion release and ROS generation raises safety concerns. Subsequently, tremendous research efforts are being conducted toward the development of biogenic CDs synthesized from sustainable bio-sources, aiming towards harnessing their intrinsic biocompatibility and multifunctionality in cancer theranostics. With the increasing demand for safer and eco-friendly nanomaterials in cancer diagnosis and treatment, there is an urgent need for the exploration of biowaste derived CDs representing significant advancement in nanomedicine. In this mini review, we provide a comprehensive overview of recent advancements in utilizing bio waste derived green CDs as cancer biomarkers detectors. We discuss various synthesis methods for CDs, including bottom-up and top-down approaches, highlighting their ability to tailor optical and surface properties for specific applications in cancer detection. Functionalization strategies for enhancing targeting specificity and binding affinity of CDs to cancer biomarkers are also explored, encompassing covalent and non-covalent modifications. Furthermore, we review the applications of CDs in detecting diverse cancer biomarkers, such as proteins, nucleic acids, and small molecules, through fluorescence-based assays. Despite their potential, several challenges such as improving assay sensitivity, specificity, and clinical translation are discussed. Finally, we outline future perspectives, suggesting the integration of CDs into advanced diagnostic platforms for early cancer detection and personalized medicine. Harnessing the unique properties of green CDs holds great promise for revolutionizing cancer diagnostics, enabling early-stage detection, monitoring disease progression, and guiding personalized treatment strategies. Quantum dot ; Nanomaterials ; Cancer ; Carbon quantum dots ; Surface modification ; Aptamer ; Biocompatibility Carbon and Quantum Dots Applications ; Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics
Authors: Mohamed Shafi Kuttiyathil | Labeeb Ali | Mohammednoor Altarawneh
Source: The Chemical Record (review, 2025-04-07)
Field: Materials Science — Polymers and Plastics

Thermochemical Recycling and Degradation Strategies of Halogenated Polymers (F−, Cl−, Br−): A Holistic Review Coupled with Mechanistic Insights Handling the waste associated with halogenated polymers is a daunting task due to the well-documented emission of halogen-bearing toxicants during the disposal or recycling operation. According to the Stockholm Convention treaty, most of these products are classified as persistent organic pollutants due to their potential health hazards. This review aims to provide a holistic overview of the recent updates for treating halogenated polymeric waste through physical, chemical and biological approaches. In the line of inquiry, critical analysis of the obstacles and prospects associated with each degradation technique on the halogenated polymer has been performed, assessing based on the degradation efficiency, treatment upscaling, pollution control, and feasibility. Though many treatments show promising results, they also entail drawbacks. Thermal treatment exploiting various metal oxides, especially calcium additives, is considered the most executable technique for halogenated polymer valorization coupled with mineralization/metal extraction due to its intuitive operational feasibility and potential scalability. Strategies for combating the soaring halogenated polymeric wastes summarized herein tap into promoting a circular economy approach for their sustainable disposal and recycling. Waste management ; Environmental science ; Pollutant ; Biochemical engineering ; Chemistry ; Engineering ; Organic chemistry Polymer Science and PVC ; Flame retardant materials and properties ; Environmental remediation with nanomaterials
Authors: Liang Wang | Chao Song | Zhiyuan Liu | Rong Yu | Qiang Liu | Shu Wu
Source: ArXiv.org (preprint, 2025-02-13)
Field: Chemistry — Spectroscopy

Diffusion Models for Molecules: A Survey of Methods and Tasks Generative tasks about molecules, including but not limited to molecule generation, are crucial for drug discovery and material design, and have consistently attracted significant attention. In recent years, diffusion models have emerged as an impressive class of deep generative models, sparking extensive research and leading to numerous studies on their application to molecular generative tasks. Despite the proliferation of related work, there remains a notable lack of up-to-date and systematic surveys in this area. Particularly, due to the diversity of diffusion model formulations, molecular data modalities, and generative task types, the research landscape is challenging to navigate, hindering understanding and limiting the area's growth. To address this, this paper conducts a comprehensive survey of diffusion model-based molecular generative methods. We systematically review the research from the perspectives of methodological formulations, data modalities, and task types, offering a novel taxonomy. This survey aims to facilitate understanding and further flourishing development in this area. The relevant papers are summarized at: https://github.com/AzureLeon1/awesome-molecular-diffusion-models. Diffusion ; Statistical physics ; Computer science ; Physics ; Thermodynamics Diffusion Coefficients in Liquids
Authors: Yusra Obeidat
Source: Processes (article, 2025-07-08)
Field: Chemistry — Electrochemistry

A Solid-State Nafion-Coated Screen-Printed Electrochemical Sensor for Ultrasensitive and Rapid Detection of Copper Ions in Water Copper is essential for various biological functions, but elevated levels in water can pose serious health risks. In this work, we introduce a novel electrochemical sensor designed for the highly sensitive and selective detection of copper ions. The sensor is based on a screen-printed platinum working electrode coated with a solid-state Nafion layer. Compared to previous platinum-based sensors, this design demonstrates enhanced sensitivity, a wide linear detection range (1 µM to 10 mM), and an exceptionally low limit of detection (1 nM). It also offers a rapid response time of 3–6 s, strong selectivity, and excellent stability. Interference from common metal ions such as Cr2+, Zn2+, Mn2+, Pb2+, and Fe2+ was minimal, with signal deviations remaining below 2%, and performance remained consistent across varying anion concentrations, showing less than 1% deviation. The use of Nafion as a solid-state electrolyte successfully overcomes challenges typically associated with traditional silver-based reference electrodes. These characteristics make the sensor a reliable and practical tool for the rapid, on-site monitoring of water quality. Copper ; Nafion ; Solid-state ; Electrochemistry ; Ion ; Materials science ; 3d printed ; Nanotechnology ; Electrochemical gas sensor ; Electrode ; Chemistry ; Metallurgy ; Biomedical engineering ; Organic chemistry ; Physical chemistry Electrochemical Analysis and Applications ; Analytical Chemistry and Sensors ; Electrochemical sensors and biosensors