jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Andrés Rodríguez-Camargo | Bettina V. Lotsch
Source: Chemical Science (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

A reflection on ‘A hydrazone-based covalent organic framework for photocatalytic hydrogen production’: teaching sponges new tricks Covalent organic frameworks (COFs) are a unique class of porous materials built entirely from organic building blocks. As such, COFs unite the tunability of molecules with the robustness and optoelectronic functionality of extended solids-key requisites for (photo)catalysis. This LEGO®-like design of crystalline "molecular sponges" has captivated the imagination of chemists and inspired the first COF photocatalyst: a hydrazone-linked COF capable of harnessing visible light to drive the evolution of hydrogen from water. This commentary revisits that seminal contribution, published 11 years ago in <i>Chemical Science</i> (L. Stegbauer, K. Schwinghammer, B. V. Lotsch, <i>Chem. Sci.</i>, 2014, <b>5</b>, 2789-2793, https://doi.org/10.1039/C4SC00016A), and reflects on its lasting impact. We survey the major advances that have shaped COF photocatalysis over the past decade and outline emerging opportunities and challenges, offering a forward-looking perspective on the role of COFs in solar energy conversion. Reflection (computer programming) ; Covalent bond ; Photocatalysis ; Catalysis ; Hydrogen Covalent Organic Framework Applications ; Electrocatalysts for Energy Conversion ; Advanced Photocatalysis Techniques
Authors: Federica Sallustio | Ikram El Maachi | Dominic Andre | Alexander Loewen | Amanda Schmidt | Stefan Ruetten | Marius Heitzer | Stefan Jockenhoevel | Prof. J. Carlos Rodríguez-Cabello | Alicia Fernández-Colino
Source: Frontiers in Bioengineering and Biotechnology (article, 2026-01-09)
Field: Materials Science — Biomaterials

Elastic, load-bearing and autoclavable protein-based graft for coronary revascularization Autologous grafts, such as the internal mammary artery and saphenous vein, are considered the gold standard for coronary artery bypass. However, there is a critical need for small diameter vascular grafts to meet the demands of coronary artery disease patients, as limitations become especially pronounced due to the extremely small caliber of target vessels. Therefore, we designed and manufactured a miniaturized, autoclavable and synthetic-free vascular graft, composed of elastin-like recombinamers hydrogel and native-like silk fibroin textile to ensure an optimal biological integration and mechanical performance, according to ISO 7198 guideline. The construct demonstrated consistent morphological homogeneity and maintained luminal patency throughout its length. The graft was able to replicate the mechanical performance of the autografts in terms of suture retention and compliance and facilitated the formation of an endothelial monolayer, ensuring a physiologically relevant environment prior to implantation. Moreover, the clinical implantation potential was demonstrated by a successful anastomosis to a human vessel <i>in vitro</i>. The proposed graft represents a viable replacement for this clinical application when autografts are not accessible, avoiding a second surgical site and harvesting morbidity. Anastomosis ; Artery ; Vascular graft ; Transplantation ; Revascularization ; Coronary artery disease ; Fibrous joint ; Vascular access Electrospun Nanofibers in Biomedical Applications ; Silk-based biomaterials and applications ; Tissue Engineering and Regenerative Medicine
Authors: Ganesh Gollavelli | Chiranjib Patra | Brahmayya Manuri | Chiranjeevi Korupalli | Yong-Chen Ling
Source: Preprints.org (preprint, 2026-02-02)
Field: Materials Science — Materials Chemistry

Carbon Dot–Based Nanobiosensors for Advanced Pharmaceutical Analysis: Electrochemical, Optical, and Point-of-Care Applications Because of their special optical and electrochemical characteristics, superior biocompatibility, adjustable surface chemistry, and inexpensive, scalable synthesis, carbon dots (CDs), including carbon quantum dots and graphene quantum dots, have become powerful and adaptable nanomaterials for advanced pharmaceutical analysis and other toxicants. The sensitive and selective detection of active pharmaceutical substances, degradation products, contaminants, biomarkers, and therapeutic medication levels in complex matrices has shown great promise in recent years with carbon dot-based nanobiosensors. The development of various sensing platforms, such as electrochemical, optical, and dual-mode biosensors, as well as integration into microfluidic, paper-based, and wearable point-of-care devices, are made possible by their intrinsic fluorescence, effective electron transfer capacity, and ease of functionalization. With an emphasis on sensing mechanisms, biorecognition techniques, and analytical performance, this study critically reviews current developments in carbon dot-based nanobiosensors for pharmaceutical analysis. It includes a thorough discussion of important applications in drug development, stability research, therapeutic drug monitoring, and drug quality control. Along with new developments like green synthesis, AI-assisted signal processing, and smart sensing platforms, current issues with reproducibility, standardization, biocompatibility, and regulatory validation are highlighted. Lastly, prospects for the industrial application and clinical translation of carbon dot-based nanobiosensors are discussed. Graphene ; Carbon fibers ; Quantum dot ; Carbon quantum dots ; Nanomaterials Carbon and Quantum Dots Applications ; Electrochemical sensors and biosensors ; Advanced Nanomaterials in Catalysis
Authors: Jonathan Michel Barba Godinez | Ernesto Tinajero‐Díaz | María Soledad Peresin | Zaira Yunuen García Carvajal | Diego Gomez‐Maldonado
Source: Journal of Biomedical Materials Research Part A (article, 2026-03-01)
Field: Materials Science — Biomaterials

A New Perspective in Nanocellulose‐Based Materials for Biomineralization and Strategies for Bone Repair Repairing large bone defects is a significant clinical challenge. In this context, cellulose nanomaterials, such as bacterial nanocellulose (BNC), cellulose nanofibrils (CNF), and cellulose nanocrystals (CNC), have emerged as promising alternatives due to their natural origin and mechanical properties. Particularly noteworthy is their chemical malleability, which thereby confers specific functionalities. This comprehensive literature review evaluates the efficacy of nanocellulose scaffolds for the repair of critical bone defects, with a focus on the impact of surface modifications. The effects of inserting bioactive functional groups and adding metal ions are analyzed in vitro and in vivo models. The parameters evaluated include material mineralization (production and precipitation of biogenic apatite, Ca/P ratio), cell adhesion and proliferation, bioadsorption, degradation, and toxicity. The results discussed provide valuable insights into the chemical and biological processes of bone formation, supporting a new paradigm: cellulose is no longer just an "eco-friendly filler" but has become a programmable structural scaffold. The trends highlighted in this review open new avenues for the treatment of bone diseases and tissue regeneration. Nanocellulose ; Bacterial cellulose ; Cellulose ; Biomineralization ; Bone healing ; Biomaterial ; Tissue engineering ; Adhesion ; Natural materials Advanced Cellulose Research Studies ; Bone Tissue Engineering Materials ; Hemostasis and retained surgical items
Authors: Kotohiro Nomura | Kanticha Jaiyen
Source: Polymer Journal (article, 2026-01-07)
Field: Chemistry — Organic Chemistry

Ring-Opening Metathesis Polymerization (ROMP) of cyclic olefins: stereospecific ROMP and precision synthesis of bottlebrush polymers Abstract Ring-opening metathesis polymerization (ROMP) of cyclic olefins has been widely used in the synthesis of advanced polymeric materials. Control of the cis -/ trans - ( Z -/ E -) olefinic double bonds in the resulting ring-opened polymers is important for the design of functional polymers, especially in controlling their morphology. This minireview introduces the basics of olefin metathesis reactions, especially ROMP, and summarizes reported examples of stereocontrol in ROMP through the use of ruthenium-carbene, molybdenum-alkylidene, vanadium-alkylidene, and niobium-alkylidene catalysts. The efforts have been applied to the cis -/ trans -specific synthesis of bottlebrush polymers, enabled by the use of (arylimido)vanadium(V)-alkylidene catalysts that exhibit different thermal and emission properties because of their different morphologies [as confirmed by atomic force microscope (AFM)] and interpolymer and/or intrapolymer interactions. ROMP ; Metathesis ; Polymerization ; Ring-opening metathesis polymerisation ; Polymer ; Acyclic diene metathesis ; Catalysis ; Olefin metathesis Synthetic Organic Chemistry Methods ; Advanced Polymer Synthesis and Characterization ; biodegradable polymer synthesis and properties
Authors: B. S. Yadav | Chanchal Chauhan | Sarvendra Kumar | Jayant Teotia | Shalini Malik | Manu Chaudhary | Dev Kumar
Source: Prabha Materials Science Letters (article, 2026-03-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Spectroscopic Analysis of 2-Phthalimidoethanesulfonyl Chloride by Density Functional Theory Density Functional Theory (DFT) computations are used to analyse 2-phthalimidoethanesulfonyl chloride (2-PESC). DFT computations are performed using the B3LYP method with 6-311++G (d,p) and cc-pVDZ core levels. The structural properties of the examined molecule, such as interatomic distances and the angle between bonds, are theoretically calculated using DFT. Heat capacity, entropy, and enthalpy—the three thermodynamic parametersare parameters are for a temperature range from 100 to 1000 Kelvin. DFT is used to compute the molecule's first and second-order hyperpolarizability (nonlinear optical NLO characteristics) at both basis sets. With the help of the VEDA program, assignments are computed. The Swiss ADME tool is used to analyze the molecule (2-PESC) for drug likeness. FT-IR and FT-Raman are used to characterize the molecule's vibrational spectra in the domains of 4000-650 cm-1 and 4000-100 cm-1, respectively. The hybridization and covalent effects are examined using the Natural Bond Orbital (NBO) technique. Lastly, Mulliken atomic charges of the atoms are also computed. Hyperpolarizability ; Density functional theory ; Molecule ; Mulliken population analysis ; Bond length ; Covalent bond ; Natural bond orbital ; Spectral line ; Molecular orbital Nonlinear Optical Materials Research ; Advanced Physical and Chemical Molecular Interactions ; Structural and Chemical Analysis of Organic and Inorganic Compounds
Authors: Riya Khetan | Weranga Rajapaksha | Bukuru D. Nturubika | Todd A. Gillam | Doug A. Brooks | Sanjay Garg | Anton Blencowe | Hugo Albrecht | Preethi Eldi
Source: Frontiers in Drug Delivery (article, 2026-01-13)
Field: Materials Science — Biomaterials

Targeting F2R/PAR1 with ligand decorated lipid nanocarriers for enhanced drug delivery into ovarian cancer cells Ovarian cancer treatment by chemotherapy is often complicated by severe systemic toxicity, highlighting the need for targeted delivery techniques that can improve drug efficacy while minimizing off-target effects. Our previous research identified the G protein-coupled receptor (GPCR), coagulation factor II thrombin receptor/protease activated receptor 1 (F2R/PAR1), as a potential therapeutic target in metastatic ovarian cancer tissues. Here we report the design of an engineered lipid nanoparticle (LNP), conjugated with a synthetic short peptide agonist that mimics the F2R-activating tethered ligand. Doxorubicin (DOX)-loaded LNPs (LNP-DOX), were physically characterized to assess the drug encapsulation efficacy, particle size, polydispersity index (PDI), zeta potential, and release kinetics. <i>In vitro</i> investigation demonstrated that the peptide-conjugated LNPs had significantly increased cellular uptake and cytotoxicity compared to their non-conjugated equivalents in an established ovarian cancer cell line. The results underscore the therapeutic potential of ligand-directed nanocarriers for targeted drug delivery into ovarian cancer cells and further validates F2R as a promising cell surface target. Nanocarriers ; Ovarian cancer ; Doxorubicin ; Drug delivery ; Targeted drug delivery ; Cytotoxicity ; Drug ; Therapeutic index ; Cancer cell Nanoparticle-Based Drug Delivery ; Lipid Membrane Structure and Behavior ; RNA Interference and Gene Delivery
Authors: Dominic Mashak | Jacob Schrum
Source: arXiv (Cornell University) (article, 2026-04-07)
Field: Materials Science — Electronic, Optical and Magnetic Materials

CVT Archives and Chemical Embedding Measures for Multi-Objective Quality Diversity in Molecular Design Nonlinear optical (NLO) materials are essential for photonic technologies, yet discovering optimal NLO molecules requires balancing multiple competing objectives across vast chemical spaces. Previous work showed that Multi-Objective MAP-Elites (MOME) with grid-based archives discovers diverse, high-quality molecules for electro-optic applications. However, uniform grid partitioning wastes archive capacity on chemically infeasible regions while undersampling high-density areas. We apply MOME with Centroidal Voronoi Tessellation (CVT) archives whose cells are defined by learned embeddings from ChemBERTa-2 Multi-Task Regression reduced via UMAP, capturing chemical similarity beyond simple structural features. We investigate a four-objective NLO molecular design problem: maximizing the $β/ γ$ hyperpolarizability ratio, constraining HOMO-LUMO gap and linear polarizability to target ranges, and minimizing energy per atom. Our results demonstrate that embedding-based measures in CVT archives yield significantly higher median global hypervolume and multi-objective quality diversity scores, while filling nearly all native archive niches. Hyperpolarizability ; Embedding ; Quality (philosophy) ; Grid ; Polarizability ; Similarity (geometry) ; Undersampling ; Voronoi diagram Nonlinear Optical Materials Research ; Machine Learning in Materials Science ; Nonlinear Optical Materials Studies
Authors: Chris Ryan | Christopher E. F. Barkshire | Maria F. Velázquez de la Paz | Gwendolen C. Reilly | Frederik Claeyssens
Source: Frontiers in Bioengineering and Biotechnology (article, 2026-03-19)
Field: Materials Science — Materials Chemistry

Emulsion templating of PCL:PGS methacrylate blends for soft tissue engineering Mechanical testing of bulk blends of PCL-M and PGS-M demonstrated that the polymers mix together uniformly to provide predictable properties at different weight:weight ratios. PolyHIPEs formed of PCL-M and PGS-M were stable and exhibited highly interconnected porosity. Further investigation was undertaken on the 50:50 blend due to its favourable viscosity and rounded porous structure. Adjusting the synthesis parameters of the 50:50 PCL-M:PGS-M blend demonstrated that a wide range of porous structures can be fabricated, with average pore size ranging from 10-69 μm. The blend was demonstrated to be cell compatible, and collagen staining demonstrated that extracellular matrix adhered to the material. Blend-based scaffolds did not require surface treatment to maintain long term cell adhesion, unlike PCL-M-only controls. Overall, this study demonstrated that highly tuneable porous structures for a wide variety of tissue engineering applications can be created by blending PCL-M and PGS-M to form a composite that exhibits tailorable properties in between those currently known for PCL-M and PGS-M alone. Polymer ; Porosity ; Emulsion ; Scanning electron microscope ; Polymer blend ; Tissue engineering ; Resazurin Pickering emulsions and particle stabilization ; Proteins in Food Systems ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Huang Zhu | Ting Wang | Shihuan Gao | Wei Geng | Tian Ma | Liang Cheng | Xianglong Han | Jiuhong Deng | Shanshan Gao | Chong Cheng
Source: Refubium (Universitätsbibliothek der Freien Universität Berlin) (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Phage-Inspired Artificial Peroxidases with Robust Sub–Nanometer Cluster Sites for Efficient Oral Biofilm Elimination and Dental Caries Prevention Dental caries, a highly prevalent oral disease, is primarily driven by pathogenic biofilms; however, current antimicrobials exhibit limited efficacy and poor specificity against cariogenic biofilms. Although nanobiocatalysts that can produce reactive oxygen species represent a promising alternative to conventional antimicrobials, most current designs fail to achieve robust bacterial interaction and exhibit insufficient disruption of biofilm integrity. To address these challenges, we report the de novo design of phage-inspired artificial peroxidases (IrNC@TiO2) featuring a robust sub-nanometer cluster site and urchin-like topography, which enables efficient oral biofilm elimination and dental caries prevention. Structural characterization confirmed that sub-nanometer Ir clusters are stably anchored to the TiO2 support via Ir–O coordination. Leveraging the robust enzymatic activity of Ir clusterzymes and the topological advantages of the spiky substrate, IrNC@TiO2 exhibits potent multi-enzyme mimetic activity, generating substantial amounts of ·O2− and HClO to effectively capture and eradicate planktonic Streptococcus mutans and suppress biofilm formation. In a caries model, IrNC@TiO2 significantly inhibited tooth surface biofilm development, prevented enamel demineralization, and reduced caries incidence. The material also demonstrated negligible cytotoxicity and outperformed conventional non-abrasive additives in tooth-whitening assays. This work introduces a robust and efficient ROS-generating platform for oral health care and proposes a promising solution for clinical caries prevention. Biofilm ; Streptococcus mutans ; Enamel paint ; Cytotoxicity ; Peroxidase ; Dental plaque ; Cluster (spacecraft) ; Bacteria Advanced Nanomaterials in Catalysis ; Supramolecular Self-Assembly in Materials ; Advanced biosensing and bioanalysis techniques
Authors: Chongyan An | Lifeng Yan
Source: Chemical Communications (article, 2026-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Stable organic radical luminescent groups and their applications in nano-diagnosis and therapy The unique singlet-state luminescence mechanism of stable organic radicals avoids the energy loss caused by inter-system crossing in traditional closed-shell molecules, providing a new approach for achieving efficient luminescence. This review focuses on systems such as poly-chlorinated triphenylmethyl derivatives (PTM, TTM, BTM, <i>etc.</i>), di-cyanomethyl radicals, and double radicals. Through strategies such as spatial steric hindrance, electronic delocalization, and structural regulation, their stability and luminescent properties have been significantly improved. In terms of application, organic radical materials demonstrate excellent potential for tumor treatment. Their open shell structure can generate type I reactive oxygen species through an electron transfer mechanism, effectively overcoming the limitations of tumor hypoxic microenvironment on photodynamic therapy. At the same time, their strong near-infrared absorption property enables them to have efficient photothermal conversion ability. The integrated diagnosis and treatment platform constructed through nanotechnology engineering can achieve coordinated treatment under the guidance of near-infrared imaging, providing a new material system for the development of efficient and low-toxic tumor precision treatment strategies. Photothermal therapy ; Luminescence ; Radical ; Steric effects ; Photodynamic therapy ; Absorption (acoustics) ; Electron transfer Photochemistry and Electron Transfer Studies ; Lanthanide and Transition Metal Complexes ; Electron Spin Resonance Studies
Authors: Wen‐Chieh Huang | Y J Lin | Sheng‐Ju Hsu | J. Satyanarayana Reddy | Shu‐Yu Lin
Source: Advanced Synthesis & Catalysis (article, 2026-02-03)
Field: Chemistry — Organic Chemistry

Hexafluoroisopropanol‐Enabled One‐Step Access to Oxetanol and Azetidinol Scaffolds from Unprotected Indoles and Heteroarenes This work reports a direct, hexafluoroisopropanol (HFIP)‐enabled, one‐step construction of oxetanol and azetidinol scaffolds from unprotected indoles and other electron‐rich (hetero)arenes via selective activation of strained four‐membered heterocyclic ketones. The method operates under mild, protecting‐group‐free conditions, shows broad functional‐group tolerance (e.g., halides, ester, boronate), and accommodates diversely substituted indoles. Compared with metal–halogen activation routes, this approach streamlines access to valuable strained tertiary‐alcohol frameworks with strong potential for late‐stage functionalization in medicinal chemistry. Surface modification ; Streamlines, streaklines, and pathlines ; Catalysis ; Work (physics) ; Reaction conditions Catalytic C–H Functionalization Methods ; Synthesis and Catalytic Reactions ; Cyclopropane Reaction Mechanisms
Authors: J. S. Vasconcelos | Nazaré do Socorro Lemos Silva Vasconcelos | Cícero Wellington Brito Bezerra | Antonio Marcus Nogueira Lima
Source: Analytical Chemistry (article, 2026-03-09)
Field: Chemistry — Electrochemistry

Development and Applications of Electrochemical Surface Plasmon Resonance (EC-SPR)-Based Sensors: A Review Surface plasmon resonance ; Resonance (particle physics) ; Electrochemistry ; Surface plasmon ; Localized surface plasmon Electrochemical Analysis and Applications ; Plasmonic and Surface Plasmon Research ; Analytical Chemistry and Sensors
Authors: Huang Zhu | Ting Wang | Shihuan Gao | Wei Geng | Tian Ma | Liang Cheng | Xianglong Han | Jie Deng | Sifan Gao | Chong Cheng
Source: Nano-Micro Letters (article, 2026-03-26)
Field: Materials Science — Materials Chemistry

Phage-Inspired Artificial Peroxidases with Robust Sub–Nanometer Cluster Sites for Efficient Oral Biofilm Elimination and Dental Caries Prevention Dental caries, a highly prevalent oral disease, is primarily driven by pathogenic biofilms; however, current antimicrobials exhibit limited efficacy and poor specificity against cariogenic biofilms. Although nanobiocatalysts that can produce reactive oxygen species represent a promising alternative to conventional antimicrobials, most current designs fail to achieve robust bacterial interaction and exhibit insufficient disruption of biofilm integrity. To address these challenges, we report the de novo design of phage-inspired artificial peroxidases (IrNC@TiO<sub>2</sub>) featuring a robust sub-nanometer cluster site and urchin-like topography, which enables efficient oral biofilm elimination and dental caries prevention. Structural characterization confirmed that sub-nanometer Ir clusters are stably anchored to the TiO<sub>2</sub> support via Ir-O coordination. Leveraging the robust enzymatic activity of Ir clusterzymes and the topological advantages of the spiky substrate, IrNC@TiO<sub>2</sub> exhibits potent multi-enzyme mimetic activity, generating substantial amounts of ·O<sub>2</sub><sup>-</sup> and HClO to effectively capture and eradicate planktonic Streptococcus mutans and suppress biofilm formation. In a caries model, IrNC@TiO<sub>2</sub> significantly inhibited tooth surface biofilm development, prevented enamel demineralization, and reduced caries incidence. The material also demonstrated negligible cytotoxicity and outperformed conventional non-abrasive additives in tooth-whitening assays. This work introduces a robust and efficient ROS-generating platform for oral health care and proposes a promising solution for clinical caries prevention. Biofilm ; Streptococcus mutans ; Enamel paint ; Cytotoxicity ; Peroxidase ; Dental plaque ; Cluster (spacecraft) ; Bacteria Advanced Nanomaterials in Catalysis ; Advanced biosensing and bioanalysis techniques ; Supramolecular Self-Assembly in Materials