jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Islam G. Alhindawy | K.A. Mahmoud
Source: Advanced Composites and Hybrid Materials (article, 2025-07-29)
Field: Materials Science — Materials Chemistry

Engineered zirconia nanomaterials for circular environmental and nuclear applications: dual-function design for photocatalytic pollutant degradation and gamma-ray shielding Abstract This work introduces a sustainable strategy for synthesizing multifunctional zirconia (ZrO 2 )-based nanomaterials doped with Fe, Ba, and B via a green hydrothermal method. These materials demonstrate dual functionality: first, they serve as efficient photocatalysts for the degradation of organic pollutants like Rhodamine B (RhB) under UV light, achieving removal efficiencies of 65% (ZrO 2 ), 91% (B-ZrO 2 ), 95% (Fe-ZrO 2 ), and 99% (Ba-ZrO 2 ) within 30 min. After their photocatalytic use, the same nanomaterials are repurposed as gamma-ray shielding agents. Structural characterization revealed crystallite sizes ranging from 53.3 to 61.4 nm and densities up to 6.67 g/cm 3 (Fe-ZrO 2 ). The γ-ray protection capacity of the synthesized nanocomposites was evaluated using the experimental measurements by the NaI(Tl) detector and radioactive sources emitting energies bounded by 0.245 and 1.408 MeV. The experimentally recorded data were validated using the Monte Carlo simulation over the same mentioned energy interval. Both simulated and experimentally measured data confirm that the γ-ray attenuation performance was highest for Fe-ZrO 2 , with linear attenuation coefficients decreasing from 0.978 ± 0.043 to 0.333 ± 0.012 cm –1 as the γ-ray energy raised from 0.245 to 1.408 MeV. In comparison, undoped ZrO 2 exhibited lower LACs in the range of 0.810 ± 0.036 to 0.277 ± 0.010 cm –1 . This dual-use model exemplifies a circular material lifecycle, enhancing environmental remediation while enabling post-use recycling for radiological protection. Electromagnetic shielding ; Nanomaterials ; Pollutant ; Degradation (telecommunications) ; Cubic zirconia ; Materials science ; Dual (grammatical number) ; Nuclear engineering ; Environmental science ; Nanotechnology ; Chemistry ; Engineering ; Composite material ; Electronic engineering Nuclear Materials and Properties ; Nuclear materials and radiation effects ; Radioactive element chemistry and processing
Authors: Amrita Chatterjee | S. N. Jha | Sushmit Sen | Keshav Dev | Chayan Das | Pradip K. Maji
Source: RSC Applied Polymers (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Hydroxyl-functional acrylic adhesives: leveraging polysilazane chemistry for curing Polysilazane-crosslinked acrylic adhesives has been investigated for their tensile shear strength, durability on wood and metal substrates. Adhesive ; Curing (chemistry) ; Chemistry ; Polymer science ; Polymer chemistry ; Chemical engineering ; Organic chemistry ; Engineering Photopolymerization techniques and applications ; Advanced Polymer Synthesis and Characterization
Authors: Hemant Singh | Ankit Kachore | Varun Aggarwal | Ekta Bala | Saima Saima | Manickam Selvaraj | Praveen Kumar Verma
Source: The Chemical Record (review, 2025-06-05)
Field: Materials Science — Materials Chemistry

Recent Advances in Biogenic Nanoparticles for Water Remediation via Drug/Dye Degradation and Heavy Metals Detection Water pollution has become a major threat globally and is challenging due to widespread industrial and human activities. Various strategies have been considered for the safe use of water or its decontamination. Nanoparticles (NPs)-based methods for water purification have been widely explored, however, have major drawbacks associated with them, like use of harmful chemicals, high energy costs for their synthesis. In recent era, biogenic nanoparticles (BNPs) have drawn the attention because of their cost-effectiveness, environment-friendliness, stability, and scalability. These BNPs show good optical, physical, and chemical properties, and due to these properties, they exhibit photocatalytic activity. BNPs are a reliable choice for degradation of dyes, drugs, and heavy metal detection because of their photocatalytic activity. In this review, various metal-based BNPs, used for degrading dyes, drugs, and heavy metal detection in water, are discussed. Moreover, the mechanism of degradation of dyes, drugs, and heavy metal detection is discussed. Environmental remediation ; Degradation (telecommunications) ; Human decontamination ; Photocatalysis ; Nanoparticle ; Environmental chemistry ; Heavy metals ; Chemistry ; Environmental science ; Nanotechnology ; Contamination ; Waste management ; Materials science ; Computer science ; Catalysis ; Organic chemistry Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; Advanced Photocatalysis Techniques
Authors: Nuwan Sameera Liyanage | Basanta Lamichhane | Elisa Fantino | Natacha Mérindol | Sarah‐Eve Gélinas | Maria Camila García Tobón | Isabel Desgagné‐Penix
Source: Plant Physiology and Biochemistry (article, 2025-05-22)
Field: Chemistry — Organic Chemistry

Coclaurine N-methyltransferase-like enzymes drive the final biosynthetic reaction of the anti-Alzheimer's drug galanthamine in Amaryllidaceae Galanthamine, an isoquinoline alkaloid used to treat symptoms of Alzheimer's disease, is predominantly extracted from Amaryllidaceae plants, yet its supply remains limited. In this study, we identified, isolated, and characterized N-methyltransferases (NMTs) from three galanthamine-producing species: Leucojum aestivum, Lycoris radiata, and Hippeastrum papilio. The transcriptomic analysis identified five unique NMT isoforms, among which LaLrHpNMT1, an isoform highly conserved across all three species, exhibited the highest catalytic activity. Phylogenetic and structural analyses revealed that these enzymes share high sequence conservation and maintain the class I methyltransferase Rossmann fold with key catalytic residues, paralleling known NMTs from benzylisoquinoline alkaloid pathways. Flexible docking simulations confirmed that norgalanthamine, a crucial precursor, fits within the enzyme's active site and interacts with conserved residues Glu204 and His208. In vitro and in planta assays demonstrated that LaLrHpNMT1 efficiently catalyzes the N-methylation of norgalanthamine to galanthamine. Site-directed mutagenesis confirmed the key role of Glu204 and the participation of Phe residues in substrate stabilization. Additional enzyme assays revealed that LaLrHpNMT1 is promiscuous towards various alkaloid intermediates, while subcellular localization using eGFP-tagged constructs exposed a dual distribution in the cytosol and endoplasmic reticulum, suggesting that NMT activity occurs at the cytosol-ER interface where other biosynthetic enzymes reside. Environmental stress experiments in H. papilio shoots culture showed significant upregulation of NMT expression under heat and other stress conditions associated with AA levels modulation, indicating a potential link between stress responses and alkaloid biosynthesis. These findings deepen our understanding of galanthamine biosynthesis and provide a foundation for metabolic engineering strategies aimed at improving production yields. Amaryllidaceae Alkaloids ; Amaryllidaceae ; Enzyme ; Drug ; Chemistry ; Galantamine ; Biochemistry ; Biology ; Pharmacology ; Botany ; Medicine ; Dementia ; Internal medicine ; Donepezil ; Disease Chemical synthesis and alkaloids ; Alkaloids: synthesis and pharmacology ; Cholinesterase and Neurodegenerative Diseases
Authors: Juthatip Manissorn | Jaturong Promsuk | Kittikhun Wangkanont | Peerapat Thongnuek
Source: Drug Delivery (review, 2025-01-09)
Field: Materials Science — Biomaterials

Biomimetic peptide conjugates as emerging strategies for controlled release from protein-based materials Biopolymers, such as collagens, elastin, silk fibroin, spider silk, fibrin, keratin, and resilin have gained significant interest for their potential biomedical applications due to their biocompatibility, biodegradability, and mechanical properties. This review focuses on the design and integration of biomimetic peptides into these biopolymer platforms to control the release of bioactive molecules, thereby enhancing their functionality for drug delivery, tissue engineering, and regenerative medicine. Elastin-like polypeptides (ELPs) and silk fibroin repeats, for example, demonstrate how engineered peptides can mimic natural protein domains to modulate material properties and drug release profiles. Recombinant spider silk proteins, fibrin-binding peptides, collagen-mimetic peptides, and keratin-derived structures similarly illustrate the ability to engineer precise interactions and to design controlled release systems. Additionally, the use of resilin-like peptides showcases the potential for creating highly elastic and resilient biomaterials. This review highlights current achievements and future perspectives in the field, emphasizing the potential of biomimetic peptides to transform biopolymer-based biomedical applications. Fibroin ; Biopolymer ; Drug delivery ; Materials science ; Nanotechnology ; Tissue engineering ; Biocompatibility ; Elastin ; Spider silk ; Keratin ; Self-healing hydrogels ; Biomaterial ; SILK ; Polymer ; Biomedical engineering ; Biology ; Engineering Silk-based biomaterials and applications ; Collagen: Extraction and Characterization ; Dyeing and Modifying Textile Fibers
Authors: Amanda Lélis de Souza | Victor Gomes Lauriano Souza | Meirielly Jesus | Fernando Mata | Taíla Veloso de Oliveira | Nilda de Fátima Ferreira Soares
Source: Sustainability (review, 2025-06-18)
Field: Materials Science — Biomaterials

Modification of Cellulose Nanocrystals Using Polydopamine for the Modulation of Biodegradable Packaging, Polymeric Films: A Mini Review This review delves into environmentally conscious sustainable packaging materials, focusing on biodegradable polymers and innovative surface modification methodologies. Synthetic plastics have revolutionized various industries due to their physical attributes and affordability, particularly in packaging applications. Nonetheless, the substantial volume of plastic waste, especially from non-biodegradable sources, has provoked heightened environmental apprehensions. Notably, polymers derived from natural sources, such as cellulose, are classified as biopolymers and esteemed for their ecological benevolence. Among these, cellulose and its derivatives stand out as renewable and abundant substances, holding promise for sustainable packaging solutions. Nano-sized cellulose fibers’ incorporation into biodegradable films garners interest due to their remarkable surface area, robust mechanical strength, and other commendable properties. Surface modification techniques, such as a polydopamine (PDA) coating, have been explored to improve the dispersion, interfacial compatibility, and mechanical performance of cellulose nanocrystals (CNC) when incorporated into biodegradable polymer films. In this sense, PDA, derived from mussel proteins’ dopamine component, displays exceptional adhesion to diverse surfaces and has been extensively scrutinized for its distinctive attributes. Therefore, the core focus of this review was to approach ecologically friendly packaging materials, specifically investigating the synergy between CNC and PDA. The unparalleled adhesive characteristics of PDA serve as a catalyst for enhancing CNC, thereby elevating the performance of biodegradable polymers with potential implications across various domains. Materials science ; Surface modification ; Cellulose ; Polymer ; Biodegradable polymer ; Environmentally friendly ; Nanotechnology ; Adhesive ; Food packaging ; Bacterial cellulose ; Polymer science ; Composite material ; Chemical engineering ; Engineering ; Mechanical engineering Advanced Cellulose Research Studies ; Nanocomposite Films for Food Packaging ; Electrospun Nanofibers in Biomedical Applications
Authors: Qing Wang | Dingding Lv | Jian Zhou | Detong Kong | Shanshan Lin | Lili Zhang | Zhen‐An Qiao | Yuxiao Ding | Xiaoyan Sun
Source: Chemical Science (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Unraveling the local coordination effect of Cu–N–C single-atom catalysts towards CO adsorption <i>via</i> a gas-phase cluster model approach The current understanding regarding how the coordination environment of single-atom catalysts supported on nitrogen-doped carbon (M-N-C SACs) regulates their reactivity remains controversial, due to the complicated surface chemistry and lack of atomic-level insights. Here we introduce an experimental modeling approach to unambiguously identify the individual contribution of the local environment to the adsorption activity of CO on Cu-N-C systems. The fundamental intrinsic activities of Cu-N-C systems with different N coordination numbers, N coordination geometries (<i>e.g.</i>, pyrrolic N and pyridinic N), defect sites (<i>e.g.</i>, armchair and zig-zag), as well as S and P dopants, towards CO adsorption can be explicitly obtained and compared at the strictly atomic level, which would be challenging to access <i>via</i> conventional techniques in SACs research. For all kinds of coordination structures, we further identified general rules that control CO adsorption strength and experimental reaction rate. This novel approach is general and can be applied to other SAC metal and reaction systems. Catalysis ; Cluster (spacecraft) ; Gas phase ; Adsorption ; Atom (system on chip) ; Chemistry ; Phase (matter) ; Crystallography ; Inorganic chemistry ; Physical chemistry ; Organic chemistry ; Computer science Catalytic Processes in Materials Science ; CO2 Reduction Techniques and Catalysts ; Electrocatalysts for Energy Conversion
Authors: Ruyan Zhao | W. Wang | Yamei Liu | Petko St. Petkov | Arafat Hossain Khan | Lei Gao | Peng Zhang | Eike Brunner | Hai I. Wang | Shivam Singh | Shirong Huang | Luis Antonio Panes‐Ruiz | Yana Vaynzof | Mischa Bonn | Gianaurelio Cuniberti | Mingchao Wang | Xinliang Feng
Source: Angewandte Chemie International Edition (article, 2025-03-31)
Field: Materials Science — Materials Chemistry

A Donor–Acceptor‐Type Two‐Dimensional Poly(Arylene Vinylene) for Efficient Electron Transport and Sensitive Chemiresistors Two-dimensional (2D) conjugated polymers and their layer-stacked 2D conjugated covalent organic frameworks, such as 2D poly(arylene vinylene)s (2D PAVs), are emerging as promising polymer semiconductors for electronics and photocatalysis. However, achieving narrow optical band gaps and efficient electron transport remains a significant challenge for this class of materials to enhance the device's performance. Here, we report a donor-acceptor-type 2D PAV (2DPAV-TBDT-IT, where TBDT = thienyl-benzodithiophene and IT = s-indacene-1,3,5,7(2H,6H)-tetraone) synthesized via an Aldol-type 2D polycondensation approach. Notably, 2DPAV-TBDT-IT benefits from an effective intralayer donor-acceptor effect, exhibiting an optical band gap of 1.15 eV, the smallest among the reported 2D conjugated polymers. Density functional theory calculations reveal a unique electron-dominating transport for 2DPAV-TBDT-IT, with a strongly dispersive conduction band minimum and, thus, a small effective mass for electrons half that for holes. Additionally, terahertz spectroscopy measurements indicate a high charge mobility of 26 cm<sup>2</sup> V<sup>-1</sup> s<sup>-1</sup> at room temperature for the powder sample. Given the high electron-deficiency of 2DPAV-TBDT-IT for facile electron injection from hazardous gases and the high-mobility electron-dominating transport in the material, we further fabricate chemiresistors from 2DPAV-TBDT-IT, showing ultrasensitive SO<sub>2</sub> analyte detection with limit of detection of 0.088 ppb, significantly surpassing the reported chemiresistive SO<sub>2</sub> sensors. Arylene ; Materials science ; Acceptor ; Electron acceptor ; Conjugated system ; Electron ; Semiconductor ; Band gap ; Polymer ; Electron mobility ; Covalent bond ; Density functional theory ; Optoelectronics ; Nanotechnology ; Photochemistry ; Chemistry ; Organic chemistry ; Computational chemistry ; Physics ; Composite material Covalent Organic Framework Applications ; Gas Sensing Nanomaterials and Sensors ; Conducting polymers and applications
Authors: Yana Gvozdeva
Source: Kinases and Phosphatases (article, 2025-04-21)
Field: Chemistry — Organic Chemistry

Nanotechnology-Based Delivery Systems for Enhanced Targeting of Tyrosine Kinase Inhibitors: Exploring Inorganic and Organic Nanoparticles as Targeted Carriers Kinase inhibitors are small molecules that block kinase activity and have significant applications in both therapy and diagnostics. Recent studies suggest that these inhibitors hold great potential as targets for treating a range of diseases, including autoimmune disorders, cardiovascular conditions, cancer, and inflammatory diseases like ulcerative colitis. Ongoing research focuses on developing effective carriers for tyrosine kinase inhibitors (TKIs) to enhance treatment outcomes while reducing side effects. The nano-scale drug carriers have demonstrated the ability to encapsulate a wide range of imaging and therapeutic agents, enhancing tumor diagnosis and treatment. Notably, the incorporation of drugs with poor pharmacokinetics into nanocarriers enhances their solubility and stability, offering a renewed opportunity to assess their full therapeutic potential. The entrapped agents can be released in a controlled manner to maintain a specific drug concentration within a treatment framework or triggered by specific stimuli such as time or pH to target particular tissues or cells. The multifunctionality of nanosystems offers a promising avenue for developing innovative tyrosine kinase inhibitor (TKI) delivery strategies that serve as alternative treatment options for cancer and other inflammatory diseases. This review aims to provide a comprehensive overview of innovative nano-scale delivery systems for TKIs, both as standalone treatments and in combination with other therapeutic agents or drug delivery approaches. We discuss their comparative advantages and limitations for future small-molecule TKIs research. Nanoparticle ; Nanotechnology ; Tyrosine kinase ; Chemistry ; Materials science ; Biochemistry ; Signal transduction Nanomaterials for catalytic reactions ; Nanoparticle-Based Drug Delivery ; Synthesis of Tetrazole Derivatives
Authors: Emanuel Studer | S. Mandal | Timo Stünkel | Ryan Gilmour
Source: Angewandte Chemie International Edition (review, 2025-08-01)
Field: Chemistry — Organic Chemistry

Privileged Chiral Photocatalysts Privileged chiral catalysts have transformed asymmetric synthesis, conferring generality to processes that are routinely leveraged in the construction of societally important functional small molecules. Operating in the ground state, these catalysts are conspicuous in their ability to simultaneously regulate reactivity and translate chiral information, often with broad substrate tolerance: this technology continues to expedite chemical space exploration. In stark contrast to the specificity of many enzymatic transformations, this promiscuity affords remarkable latitude for creative endeavour in synthesis. Given the transformative impact that stereoselective photocatalysis has had over the last decade, identifying privileged chiral catalysts that permit reactivity and enantioselectivity to be regulated in excited-state scenarios has emerged as an attractive but challenging frontier. Providing solutions to address this paradox will require the reactivity/selectivity divide to be reconciled through the validation of chiral scaffolds that effectively operate in non-ground state environments. Inspired by the venerable treatment by Yoon and Jacobsen entitled "Privileged chiral catalysts" (Science 2003, 299, 1691-1693), this mini-review is intended to survey the conception and evolution of privileged chiral photocatalyst scaffolds, and offer a perspective on emerging contenders. Reactivity (psychology) ; Generality ; Transformative learning ; Enantioselective synthesis ; Nanotechnology ; Catalysis ; Chirality (physics) ; Photocatalysis ; Chemistry ; Combinatorial chemistry ; Computer science ; Materials science ; Organic chemistry ; Physics ; Sociology ; Psychology Radical Photochemical Reactions ; Surface Chemistry and Catalysis ; Catalytic C–H Functionalization Methods
Authors: Kai Lan | Shilong Zhang | Yi Lü | Peiyuan Yu | Jiawen Chen | Chuyang Cheng
Source: Angewandte Chemie International Edition (article, 2025-04-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Strain Energy Induced Rotary Speed Acceleration in a Light‐Driven Molecular Motor Light-driven molecular motors based on overcrowded alkenes represent a major type of molecular machines that are able to rotate unidirectionally. The regulation of the rotary speed without altering the core structure of a motor is crucial and remains a major challenge. In the present study, we reported that the rotary speed of molecular motors can be significantly enhanced by harnessing the strain energy of cycloparaphenylene (CPP). A series of molecular motors incorporated in CPP with varying sizes were synthesized, and their photochemical and thermal isomerization behaviors were meticulously examined using UV-vis and <sup>1</sup>H NMR spectroscopy. The remarkable increase of the acceleration effect of the rotary speed with decreasing macrocycle sizes, up to 389-fold, can be attributed to the strain energy induced bending in the stator part, which reduces steric hindrance in the "fjord region" of the molecule, supported by a detailed computational study employing density functional theory. This work provides systematic insight into the behavior of molecular motors under strain energy, thereby paving the way for the application of motor-incorporating CPPs as a general strategy to accelerate the rotary speed of molecular motors. Acceleration ; Strain (injury) ; Molecular motor ; Rotary engine ; Energy (signal processing) ; Physics ; Materials science ; Automotive engineering ; Classical mechanics ; Composite material ; Engineering ; Nanotechnology ; Biology ; Quantum mechanics ; Anatomy Magnetism in coordination complexes ; Diamond and Carbon-based Materials Research ; Porphyrin and Phthalocyanine Chemistry