jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shiva Pandeya | Shiv Kumar Sah | Ziliang Li | Mahesh Kumar Joshi
Source: Journal of Nepal Chemical Society (article, 2025-08-18)
Field: Materials Science — Biomaterials

Shish-Kebab Nanohydroxyapatite-TiO₂ Nanofiber: A Biomimetic Platform for Regenerative Medicine Flexible titanium dioxide (TiO₂) nanofibers are gaining considerable attention in bone tissue engineering owing to their superior biocompatibility, extensive surface area, and structural adaptability. This study explores the synthesis of flexible TiO2 nanofibers and its in vitro evaluation for biomineralization capability. The Flexible TiO2 NFM was fabricated employing electrospinning technique followed by controlled calcination. The SEM-EDS, TEM, XRD, and FTIR analysis were done to characterize and to confirm the biomineralization of the flexible TiO2 NFM. Surface analysis via scanning electron microscopy (SEM) revealed the progressive formation of apatite-like layers. Elemental confirmation was provided by energy-dispersive X-ray spectroscopy (EDS), which identified the presence of calcium (Ca) and phosphorus (P), with Ca/P ratios nearing the ideal value for stoichiometric hydroxyapatite (~1.64). EDS spectra displayed characteristic peaks for oxygen at~0.52 keV, calcium at 3.69 keV &amp; 4.01 keV, and phosphate 2.01 keV, confirming the deposition of calcium phosphate and the effectiveness of the biomineralization process. XRD analysis for biomineralized NFM showed distinct peaks at 2θ values of 28.5°, 31.7°, and 66.3°. Likewise FTIR analysis showed notable alterations with characteristics peaks at 3418 cm⁻¹ suggesting increased hydrophilicity, and 1625.96 cm⁻¹, 1394.55 cm⁻¹, 1034.65 cm⁻¹ for confirmation of calcium phosphate phase, such as hydroxyapatite. The presence of granular textures on the fiber surface indicated the successful formation of apatite-like structures. TEM analysis revealed a well-defined crystalline core surrounded by a biomineralized layer, closely resembling the mineral composition of natural bone. The results of XRD and FTIR peaks further confirmed the biomineralization of flexible TiO2 NFM. Regenerative medicine ; Nanofiber ; Nanotechnology ; Materials science ; Chemistry Electrospun Nanofibers in Biomedical Applications ; Bone Tissue Engineering Materials ; Tissue Engineering and Regenerative Medicine
Authors: Le Minh Huong | Le Tan Tai | Nguyen Hung Vu | Nguyen Thanh Hoai Nam | Nguyen Minh Dat | Nguyễn Hữu Hiếu
Source: Vietnam Journal of Science and Technology/Science and Technology (review, 2025-08-28)
Field: Materials Science — Materials Chemistry

Copper oxide nanoparticles for photocatalytic and antibacterial applications: a review Copper oxide (CuO) is a well-known semiconductor material, which has been widely used in many different fields such as energy, environment, and medicine. The need for effective and feasible synthesis of a nanostructured CuO for various applications is an urge. Therefore, the method for synthesizing CuO with different approaches is summarized in this review to shed light on the viable options for synthesizing this promising material. In addition, applications of CuO in various fields is discussed, in turn, the main application of CuO in the photodegradation of organic pollutants and antibacterial properties is presented in detail. Future perspectives are also given to mention and tackle the current and future challenges for the synthesis as well as the application of the material. Photocatalysis ; Copper ; Nanoparticle ; Copper oxide ; Oxide ; Nanotechnology ; Materials science ; Chemistry ; Metallurgy ; Catalysis ; Organic chemistry Copper-based nanomaterials and applications ; ZnO doping and properties
Authors: Luís Mauro Moura | Maria Santos | S. Neves | Joanir Pereira Passos | Maria Isabel do Nascimento | Márcia Maria Rodrigues da Silva | Felippe Anthony Barbosa Correia | Karen Loraine Macena Santos
Source: Brazilian Journal of Health Review (article, 2025-07-11)
Field: Materials Science — Polymers and Plastics

Development and characterization of polyphosphazene-based biomaterials for biomedical applications: investigations on mechanical properties and biocompatibility The study aimed to develop new materials with potential for use in various healthcare applications, especially in medical devices and tissue regeneration systems. The research started with the synthesis of versatile polymers capable of having their properties adjusted according to specific needs, allowing the creation of safer and more efficient materials for the human body. The focus was on understanding how the structural characteristics of these materials influence their performance in biological environments. The investigations included testing the mechanical properties of the biomaterials to ensure that they offer adequate strength, elasticity, and flexibility to meet the demands of the biological environment in which they will be applied. Additionally, biocompatibility studies were conducted to verify that the materials do not induce adverse reactions such as inflammation or rejection. So far, the results have been very promising, as the developed polyphosphazenes have shown excellent potential for tailoring their properties, as well as demonstrating good interaction with cells and tissues. This combination of characteristics paves the way for the use of these biomaterials in various biomedical applications, such as the development of prostheses, scaffolds for tissue regeneration, and intelligent systems for controlled drug delivery. The work highlights the importance of investing in innovative and adaptable materials that can improve quality of life and offer new solutions in the field of regenerative medicine and advanced therapy. Biocompatibility ; Flexibility (engineering) ; Nanotechnology ; Drug delivery ; Regenerative medicine ; Materials science ; Polyphosphazene ; Biomedical engineering ; Biochemical engineering ; Polymer ; Engineering ; Chemistry Flame retardant materials and properties ; biodegradable polymer synthesis and properties ; Natural Fiber Reinforced Composites
Authors: Clara Fabregat | Roger Bujaldón | Silvia Oliva | Jaume Garcia-Amorós | Dmytro Volyniuk | Melika Ghasemi | Juozas V. Grazulevicius | Joaquim Puigdollers | Dolores Velasco
Source: Materials Advances (article, 2025-11-11)
Field: Materials Science — Materials Chemistry

Shortcut to highly π-extended optoelectronic systems based on the dibenzothiophene core The straightforward synthesis of butterfly-shaped diphenanthrothiophene derivatives facilitates the development of multifunctional π-extended materials with sought-after properties like semiconductivity and room-temperature phosphorescence. Dibenzothiophene ; Core (optical fiber) ; Work (physics) ; Key (lock) ; Layer (electronics) Luminescence and Fluorescent Materials ; Synthesis and Properties of Aromatic Compounds ; Organic Electronics and Photovoltaics
Authors: Lea-Sophie Hornberger | Svenja Hiotidis | Shailja Jain | Michael Benz | Hugo Montan | Deven P. Estes | Johannes Kästner | Friederike Adams
Source: Chemistry - A European Journal (article, 2025-06-10)
Field: Chemistry — Organic Chemistry

Influence of the Substitution Pattern of Terpene‐Based Seven‐Membered Lactones on Yttrium‐Mediated Ring‐Opening Polymerization: A Kinetic and Mechanistic Investigation Terpenes exhibit a wide range of structures, thus enabling diverse applications. Herein, (-)-menthide and trans (+)-carvomenthide were synthesized from terpenoids (-)-menthone and (+)-dihydrocarvone, differing solely in their substitution pattern. (-)-Menthide features a methyl group at position 4 and an isopropyl group at position 7, whereas (+)-carvomenthide shows the inverse arrangement. Both lactones were transformed into polyesters via ring-opening polymerization (ROP) using an amino-alkoxy-bis(phenolate) yttrium catalyst. Polymerization kinetics revealed first-order behavior, with (+)-carvomenthide polymerizing significantly faster than (-)-menthide, while (-)-menthide demonstrated a more controlled polymerization. Activation energies were 36.3 kJ mol<sup>-1</sup> for (+)-carvomenthide and 40.8 kJ mol<sup>-1</sup> for (-)-menthide. The Gibbs free energy of activation confirmed the lower energy barrier for (+)-carvomenthide polymerization, with experimental values of 81.9 kJ mol<sup>-1</sup> compared to 89.1 kJ mol<sup>-1</sup> for (-)-menthide. Density functional theory (DFT) calculations supported the experimental results, with computed Gibbs free energy barriers of 84.5 kJ mol<sup>-1</sup> for trans (+)-carvomenthide and 82.3 kJ mol<sup>-1</sup> for (-)-menthide and mechanistic differences. Refined free energy barriers were determined to be 102.1 kJ mol<sup>⁻1</sup> for (-)-menthide and 84.9 kJ mol<sup>⁻1</sup> for trans (+)-carvomenthide, agreeing with the experimental trend. These findings highlight the critical role of molecular structure and substituent position on polymerization kinetics and energy barriers in metal-catalyzed polymerization. Yttrium ; Substitution (logic) ; Kinetic energy ; Polymerization ; Ring (chemistry) ; Chemistry ; Terpene ; Stereochemistry ; Organic chemistry ; Polymer ; Computer science ; Physics Synthetic Organic Chemistry Methods ; biodegradable polymer synthesis and properties ; Organometallic Complex Synthesis and Catalysis
Authors: Ruchao Gao
Source: theses.fr (ABES) (article, 2025-12-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Synthesis of advanced functional materials via bipolar electrochemistry for catalytic applications L'électrochimie bipolaire permet la modification asymétrique sans fil d'objets conducteurs et semi-conducteurs, permettant ainsi la fabrication de particules Janus. Lorsqu'un tel objet est placé dans un champ électrique généré par deux électrodes d’alimentation en solution, une différence de potentiel s'établit à ses deux extrémités. Des réactions redox sont déclenchées simultanément aux extrémités opposées dès que la différence de potentiel est suffisante. En ajustant la direction et l'intensité du champ électrique, cette modification asymétrique peut être contrôlée avec précision. L'objectif de cette thèse est de synthétiser des matériaux fonctionnels avancés par électrochimie bipolaire et d'explorer leur application catalytique. Dans un premier temps, une monocouche de graphène a été introduite comme matériau modèle 2D afin d'étudier la faisabilité de l'électrodéposition bipolaire. Des métaux, des composés de coordination métalliques et des polymères peuvent être déposés aux emplacements souhaités sur la monocouche de graphène, ce qui produit des objets hybrides multifonctionnels dotés de propriétés d'autopropulsion et de chimiluminescence. Ce graphène modifié peut également être utilisé pour fabriquer des nageurs enzymatiques à comportement dynamique contrôlé par l'application d'un champ magnétique externe. De plus, en couplant l'électrochimiluminescence bipolaire à un champ magnétique, un rotor 2D à base de graphène a été conçu afin de combiner l'électrochimie bipolaire à la dynamique rotationnelle. Le champ d'application de l'électrochimie bipolaire a ensuite été étendu aux microfeuillets de MXène afin d'évaluer l'applicabilité de cette approche à d'autres matériaux 2D. Dans la dernière partie de cette thèse, l'électrochimie bipolaire assistée par la lumière a été introduite pour la modification de matériaux semi-conducteurs. Cette synergie entre lumière et champ électrique permet une modification sélective d'un côté des particules semi-conductrices. En ajustant l'intensité et la durée du champ électrique, la taille de la zone déposée a pu être ajustée avec précision. Enfin, les particules semi-conductrices modifiées sélectivement présente des performances photocatalytiques améliorées pour la remédiation environnementale. Context (archaeology) ; Agrégation ; Human immunodeficiency virus (HIV) Supercapacitor Materials and Fabrication ; MXene and MAX Phase Materials ; Electrophoretic Deposition in Materials Science
Authors: Weiwen Zhuang | Wilson Chong | Junzhi Liu
Source: Organic Materials (article, 2025-02-04)
Field: Chemistry — Organic Chemistry

Nonalternant Extension of Multiple Resonance Emitter via Palladium-Catalyzed [5 + 2]-Annulation Despite the proliferation of multiple resonance (MR) emitters with rigid 1,4-azaborine-based skeletons, the straightforward and efficient incorporation of nonhexagonal rings, especially for heptagons remains elusive. Here, a green–yellow emitter consisting of two azepines was designed and synthesized via a palladium-catalyzed one-pot twofold [5 + 2]-annulation reaction with high selectivity and efficiency. The tetrabenzene-fused benzo[1,2-b:5,4-b']bis(azepine) (TBBBA) core induced a highly twisted and dynamically helical rim for the novel MR-skeleton, which reduced π–π stacking in the solid state. Moreover, the nonalternant topology facilitated the delocalization of frontier molecular orbitals (FMO) within the twisted geometry, thus achieving red-shifted narrow emission. Our work provides a new synthetic strategy toward nonalternant extension of MR-emitters and gives insights into the electronic effects of multiple azepination on FMO distribution. Annulation ; Palladium ; Extension (predicate logic) ; Resonance (particle physics) ; Common emitter ; Catalysis ; Physics ; Chemistry ; Atomic physics ; Optoelectronics ; Computer science ; Organic chemistry Catalytic Cross-Coupling Reactions
Authors: Gerzón E. Delgado | Jonathan Cisterna | Jaime Llanos | Ruth Pulido | Nelson Naveas | Pilar Narea | Pilar Amo‐Ochoa | Félix Zamora | Yasna León | Iván Brito
Source: International Journal of Molecular Sciences (article, 2025-05-27)
Field: Chemistry — Organic Chemistry

Structure–Property Relationships in Zwitterionic Pyridinium–Triazole Ligands: Insights from Crystal Engineering and Hirshfeld Surface Analysis This article discloses the synthesis of four new positional isomeric zwitterionic ligands exhibiting semi-flexible and flexible characteristics-<i>n</i>-pyridinium-1,2,3-triazole-4-carboxy-5-Acetate (<i>n</i>-PTCA), and <i>n</i>-methylpyridinium-1,2,3-triazole-4-carboxy-5-Acetate (n-MPTCA; where <i>n</i> = 3, 4)-which were derived from an aqueous solution of the corresponding sodium salts in an acidic medium (HCl). These compounds are successfully synthesized and characterized with FT-IR and multinuclear NMR spectroscopy; likewise, proper single crystals are obtained for each compound. All compounds adopt zwitterionic forms in the solid state, which are stabilized via intermolecular proton transfer processes involving HCl and solvent molecules. A single-crystal X-ray analysis revealed how positional isomerism and molecular flexibility influence the supramolecular topology. Specifically, 3-PTCA and 4-PTCA exhibit isomorphic hydrogen bond networks, while 3-MPTCA and 4-MPTCA display distinct packing motifs, attributed to the presence of a methylene spacer between the pyridinium and triazole rings. The Hirshfeld surface analysis quantitatively confirmed the dominance of O···H/H···O and N···H/H···N interactions in the solid-state architecture. These strong hydrogen-bonding networks are indicative of the potential proton-conductive behavior in the crystalline state, positioning these compounds as promising candidates for applications in proton-conducting materials. The structural insights gained underscore the pivotal role of molecular topology in tailoring crystal packing, with implications for the rational design of zwitterionic ligands in functional materials, including MOFs and coordination polymers. The calculated HOMO-LUMO energy gaps reveal a significant electronic variability among the ligands, influenced primarily by the positional isomerism and structural flexibility introduced by the methylene spacer. Pyridinium ; Triazole ; Property (philosophy) ; Crystal structure ; Crystal engineering ; Chemistry ; Surface (topology) ; 1,2,4-Triazole ; Crystallography ; Combinatorial chemistry ; Organic chemistry ; Supramolecular chemistry ; Mathematics ; Geometry Synthesis and Reactivity of Heterocycles ; Crystallography and molecular interactions ; Surface Chemistry and Catalysis
Authors: Mohammad Aathif Addli | Mohd Jumain Jalil | Maher M. Alrashed | Intan Suhada Azmi | Mohd Azmier Ahmad | Siti Noor Hidayah Mustapha
Source: Journal of Polymers and the Environment (article, 2025-11-29)
Field: Materials Science — Polymers and Plastics

Kinetic Analysis and Particle Swarm Optimization Simulation Algorithm-Based Error Minimization in the Epoxidation of Castor Oil Via the Prilezhaev Reaction This study investigates the kinetic modeling of castor oil epoxidation via the Prilezhaev reaction using in situ generated peracetic acid, with a focus on optimizing the process through Particle Swarm Optimization (PSO). Experimental procedures involved the use of ZSM-5/H₂SO₄, with reactions monitored by titration, FTIR, NMR, and GPC analysis. FTIR confirmed successful epoxidation through the appearance of characteristic oxirane peaks at 852 cm⁻¹ and the disappearance of alkene bands. NMR spectra showed reduction of olefinic (5.2–5.4 ppm) and allylic protons (1.8–2.0 ppm), and emergence of epoxide ring signals (3.6–3.8 ppm). GPC revealed a drop in weight-average molecular weight (Mw) from 9732 to 1013 g/mol and polydispersity index (PDI) from 7.66 to 1.51, confirming chain scission during epoxidation. The reaction was modeled through a system of second-order differential equations representing peracid formation, epoxide synthesis, and degradation. Two models were compared—one spanning 0–60 min (including reversible reactions) and another from 30 to 60 min (unidirectional). PSO achieved an R² of 0.52 for the full model and R² of 0.98 for the 30–60 min range. The unidirectional model demonstrated superior predictive accuracy, suggesting that inclusion of reversibility introduced noise, especially during early reaction stages. This highlights PSO’s limitations in handling reversible systems and supports the use of simplified forward-reaction kinetics, focusing on epoxide formation and ring-opening steps while excluding the reverse formation of peroxy acid. This approach improves model performance in epoxidation processes while still benefiting from the fast convergence of the PSO algorithm compared to other algorithms. Castor oil ; Epoxide ; Dispersity ; Particle swarm optimization ; Alkene ; Kinetic energy ; Particle (ecology) ; Minification Polymer composites and self-healing ; Biodiesel Production and Applications ; Organic Chemistry Cycloaddition Reactions
Authors: Thomas Leung
Source: American journal of student research. (article, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

Challenges In the Clinical Translation of Metal Organic Frameworks: A Review Metal Organic Frameworks (MOFs) are a novel class of materials that have great promise in the biomedical field owing to their preclinical success. Despite 15 years of demonstrated success in preclinical trials, only two hafnium-based MOFs (RiMO-301 and RiMO-401) have entered clinical testing. This paper aims to examine this bench-to-bedside gap in MOFs with the question: What are the key factors that contribute to the success of MOFs in preclinical studies but hinder their translation into the clinic? Through a comparative analysis of 19 MOFs, including well studied MOF groups such as Zeolitic imidazolate framework MOFs (ZIF) and Material Institute of Lavoisier MOFs (MIL), this literature review will identify the advantages over conventional nanocarriers established from preclinical testing, and the multifaceted barriers hindering clinical translation. Furthermore, it discusses systematic strategic approaches to guide MOF research into clinical transition. By synthesizing these insights, the paper aims to provide a roadmap for overcoming transitional bottlenecks. Metal-organic framework ; Zeolitic imidazolate framework ; Nanocarriers ; Clinical Practice ; Translational research ; Systematic review Metal-Organic Frameworks: Synthesis and Applications ; Graphene and Nanomaterials Applications ; Nanoplatforms for cancer theranostics
Authors: Debabrata Maiti | Dineshkumar Raja | Pintu Ghosh | Sudip Maiti
Source: ChemRxiv (preprint, 2025-06-26)
Field: Chemistry — Organic Chemistry

Visible light-induced Pd-catalyzed cross-electrophile coupling of 2-(pseudo)haloazines The 2,2′-bis-azaarenes and 2-heteroarylazines are intricately embedded into the medicinal chemistry, coordination chemistry, and materials. However, the synthesis of these heterobiaryls utilizing traditional cross-coupling methods remains challenging owing to the instability of 2-heteroaryl nucleophiles. A general cross-electrophile coupling exploiting the vast libraries of the relatively stable 2-heteroaryl electrophile subunits would represent a significantly advantageous strategy. Herein, we demonstrate a conceptually distinct, visible light induced, Pd-catalyzed cross-electrophile coupling platform for the construction of unsymmetrical 2,2′-bis-azaarenes and 2-heteroarylazines using the corresponding bromides and triflates as coupling partners. The synergistic interplay of light induced and ground state Pd-catalytic cycles is enhanced through the design of new phosphine-based ligands. This Pd-catalyzed cross-electrophile coupling protocol using organic base and mild conditions exhibits wide functional group tolerance and versatility to access broad spectrum of unsymmetrical 2,2′-bis-azaarenes. The efficacy of the transformation has been showcased through the synthesis of a range of 2-(hetero)arylazene cores surmounting the persistent challenges associated with 2-heteroaryl subunits, diversification of peptides and oligosaccharides. Thus, this technology enables a general platform for the synthesis of unsymmetrical 2,2′-bis-azaarenes and other 2-heteroarylazines through the development of new ligands and without involving stoichiometric toxic metals. Electrophile ; Catalysis ; Coupling (piping) ; Chemistry ; Photochemistry ; Materials science ; Organic chemistry Sulfur-Based Synthesis Techniques ; Catalytic C–H Functionalization Methods ; Catalytic Cross-Coupling Reactions
Authors: Himani Sharma
Source: International Journal of Pharmaceutical Research and Applications (review, 2025-02-01)
Field: Materials Science — Biomaterials

Advances in Nanofiber Fabrication and Biomedical Applications: Emphasis on Cellulose-Based Porous Systems for Transdermal Drug Delivery - A Review Nanofibers have emerged as promising materials in biomedical applications due to their high surface area, porosity, and tunable structures. Among them, cellulose-based porous nanofibers offer excellent biocompatibility, biodegradability, and mechanical strength, making them ideal for advanced drug delivery systems. Recent advancements in fabrication techniques, particularly electrospinning and its variants, enable precise control over fiber morphology and pore architecture, enhancing drug loading and controlled release capabilities. Transdermal drug delivery, favored for its noninvasiveness and ability to bypass first-pass metabolism, benefits significantly from nanofiber systems. Cellulose-based nanofibers provide effective skin adhesion, high encapsulation efficiency, and sustained release of both hydrophilic and lipophilic agents. This review highlights the latest advances in nanofiber fabrication, with a focus on cellulose-based porous systems for transdermal therapeutic delivery, and discusses current challenges and future perspectives in this evolving field Transdermal ; Nanofiber ; Drug delivery ; Cellulose ; Fabrication ; Emphasis (telecommunications) ; Nanotechnology ; Materials science ; Computer science ; Medicine ; Engineering ; Chemical engineering ; Pharmacology Electrospun Nanofibers in Biomedical Applications ; Advanced Cellulose Research Studies ; 3D Printing in Biomedical Research