jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Aigul Shongalova | Ainagul Kemelbekova | Arman Umirzakov | Indira Tashmukhanbetova | Elena Dmitriyeva
Source: Processes (article, 2025-11-05)
Field: Chemistry — Inorganic Chemistry

Structure, Synthesis and Properties of Antimony Oxychlorides: A Brief Review Antimony oxychloride compounds represent a distinct class of inorganic materials that combine structural features characteristic of both oxides and halides. Their compositional flexibility and anisotropic properties make them promising candidates for use in photocatalytic systems, optoelectronic devices, flame-retardant coatings, and energy storage technologies. This review provides an overview of the structural characteristics and synthesis strategies associated with key members of the SbxOyClz family, including SbOCl, Sb4O5Cl2, and Sb8O11Cl2. Emphasis is placed on how synthesis parameters—such as temperature, pH, and precursor composition—govern phase formation, morphology, and resulting properties. Recent advances in composite engineering, controlled doping, and surface modification are discussed as effective routes to overcome limitations such as low conductivity and chemical instability. The broader significance of antimony as a strategic element is also addressed in the context of global resource availability and its role in sustainable technologies. Overall, these materials provide a versatile platform for the design of multifunctional systems tailored to meet future demands in materials science and applied engineering. Antimony ; Context (archaeology) ; Flexibility (engineering) ; Sustainable energy ; Resource (disambiguation) ; Key (lock) Pigment Synthesis and Properties ; Luminescence Properties of Advanced Materials ; Catalysis and Oxidation Reactions
Authors: Rita de Jesus | Jyotirmoy Dey | Elisa Chakraborty | Manuel van Gemmeren
Source: Organic Letters (article, 2025-09-15)
Field: Chemistry — Organic Chemistry

Sterically Controlled C(sp <sup>2</sup> )–H Carboxylation and Formylation: A Complementary Strategy to S <sub>E</sub> Ar Approaches Carboxyl- and formyl-substituted arenes are key motifs in organic chemistry, typically prepared via electrophilic aromatic substitution (S<sub>E</sub>Ar) reactions. S<sub>E</sub>Ar reactions hold tremendous synthetic value, and one of the key advantages is their predictable regioselectivity. Conversely, certain positions remain out of reach, such as sterically accessible but comparably electron-poor sites. Herein, we describe a nondirected C(sp<sup>2</sup>)-H carboxylation and formylation of arenes enabled by a dual ligand-based catalyst. By optimizing the steric control of a nondirected olefination of arenes and combining this method with two distinct protocols for the subsequent oxidative cleavage of alkenes, we can generate a complementary set of regioisomeric products. The synthetic utility is demonstrated by a broad scope with suitability for late-stage functionalization. Steric effects ; Carboxylation ; Formylation ; Electrophile ; Electrophilic aromatic substitution ; Substrate (aquarium) ; Substitution (logic) Catalytic C–H Functionalization Methods ; Oxidative Organic Chemistry Reactions ; Synthesis and Catalytic Reactions
Authors: Nurul Farhana Ahmad Aljafree | Mohd Nor Faiz Norrrahim | Alinda Samsuri | Wan Md Zin Wan Yunus
Source: Cellulose (article, 2025-08-20)
Field: Materials Science — Biomaterials

Advancements in nitrated nanocellulose: from structural insights to energetic applications Abstract This review explores the structural and chemical properties of nitrated nanocellulose, highlighting its transformative potential in energetic applications. Derived from cellulose nanocrystals (CNCs), cellulose nanofibrils (CNFs), and bacterial nanocellulose (BNC), nitrated nanocellulose combines the inherent advantages of nanocellulose such as mechanical strength, large surface area, and biodegradability with enhanced energetic properties achieved through nitration. The impact of nitrated nanocellulose in energetic materials extends to its ability to contribute to greener, more sustainable energy solutions by reducing reliance on traditional petrochemical-based components. The review delves into various nitration techniques, including mixed acid and catalytic systems, which convert nanocellulose into nitrocellulose with tailored properties. These nitrated forms exhibit improved mechanical stability, reduced sensitivity to external stimuli, and enhanced safety profiles, making them promising candidates for applications in explosives, propellants, and energy storage. The review concludes by outlining future research directions, emphasizing the need for further exploration of synthesis methods, and integration into advanced energetic systems to fully unlock the transformative potential of nitrated nanocellulose in materials science and energetic technologies. Nanocellulose ; Nanotechnology ; Materials science ; Cellulose ; Chemistry ; Polymer science ; Organic chemistry Advanced Cellulose Research Studies ; Nanocomposite Films for Food Packaging ; Natural Fiber Reinforced Composites
Authors: Kevin Schwitalla | Laura Gronewold | Marc Schmidtmann | Rüdiger Beckhaus
Source: European Journal of Inorganic Chemistry (article, 2025-01-15)
Field: Chemistry — Organic Chemistry

Tuning Lewis Acidity: Design of Titanium Complexes with hemilabile Pyridine‐based Ligands Abstract The formation of titanium(IV) complexes with Cp , N , N and Cp , O , N tridentate ligands via insertion of the pyridine‐containing precursors into the pentafulvene moiety of the titanium complexes is reported. After consecutive methylation and treatment with B(C 6 F 5 ) 3 according to a well‐established method, cationic complexes with the weakly coordinating MeB(C 6 F 5 ) 3 − anion were obtained. Further introduction of moderately strong coordinating triflato ligands provides insight into the nucleophilicity of the respective pyridinyl ligands. The Lewis acidity of the complexes is determined by well‐established protocols. Depending on the donor strength, the triflato ligand is displaced by the pyridinyl ligand to produce a cationic complex with a triflate anion. The highly Lewis acidic cationic titanium(IV) complexes are able to perform reactions such as H 2 functionalization and C−H activation reactions. The additional 15 N NMR values of the pyridine‐based ligand and UV/Vis spectra are key features of these ligand systems and further support the coordination mode determination. Chemistry ; Pyridine ; Titanium ; Lewis acids and bases ; Ligand (biochemistry) ; Combinatorial chemistry ; Polymer chemistry ; Organic chemistry ; Catalysis ; Receptor ; Biochemistry Chemical Synthesis and Reactions ; Asymmetric Hydrogenation and Catalysis ; Organometallic Complex Synthesis and Catalysis
Authors: Miķelis Kirpļuks | Beatrise Sture-Skela | Uldis Bariss | Iveta Audzevica | Uldis Pasters | Nikolajs Kurma | Laima Vēvere
Source: Materials (article, 2025-02-17)
Field: Chemistry — Spectroscopy

Modeling Key Characteristics of Rigid Polyisocyanurate Foams to Improve Sandwich Panel Production Process This study explores the optimization of rigid polyisocyanurate (PIR) foam formulations, focusing on foaming kinetics that significantly influence the foam's microstructure and thermal insulation properties. By systematically altering components such as isocyanate, polyols, catalysts, blowing agents, and additives, this research investigates their effects on key characteristics including cell density, mechanical strength, and thermal conductivity. A statistical approach known as response surface modeling (RSM) was employed to identify relationships between formulation variables and performance metrics. The optimization aimed to enhance thermal insulation while ensuring feasibility for industrial-scale production, particularly for sandwich-type PIR panels. Two distinct formulations, with isocyanate indices of 335 and 400, were developed to assess the impact of various parameters on properties like foaming start time, gel time, and density. The results indicated that the choice of blowing agents and catalysts played a pivotal role in controlling foaming kinetics and final mechanical properties. The optimized formulations exhibited competitive thermal conductivity values (around 23.7 mW/(m·K)) and adequate compression strength (0.32 MPa), aligning closely with commercially available materials. These findings affirm the potential for enhancing production efficiency and performance consistency in the manufacturing of rigid PIR foams for insulation applications. Materials science ; Sandwich panel ; Key (lock) ; Process (computing) ; Composite material ; Production (economics) ; Sandwich-structured composite ; Structural engineering ; Core (optical fiber) ; Computer science ; Engineering Aerogels and thermal insulation ; Polymer Foaming and Composites ; Polymer composites and self-healing
Authors: Sebastian Overmans | Yazan Alflayyeh | Sergio Gutiérrez | Yousef Aldlaigan | Kyle J. Lauersen
Source: Discover Plants. (article, 2025-04-08)
Field: Chemistry — Organic Chemistry

Treatment with metal–organic frameworks (MOFs) elicits secondary metabolite accumulation in Aquilaria crassna (agarwood) callus culture Abstract Thymelaceaous trees are prized for accumulating fragrant resins composed of hundreds of secondary metabolites in their woody tissues. Slow growth and increasing consumer demand have stretched natural sources of agarwood trees to being endangered and alternative production modes, including silviculture and tissue culture, are currently being investigated. Dedifferentiated tissue culture of agarwood trees provides a means of cell propagation independent of environmental context. However, secondary metabolite accumulation, as found in fragrant resins, occurs largely in response to wounding. Here, we investigated the application of metal-organic frameworks (MOFs) as potential elicitors of secondary metabolite formation in Aquilaria crassna tissue culture. Callus cultures were exposed to five commercially available MOFs (UiO-67, MOF-808, HKUST-1, ZIF-67, and MOF-74) and ethanol extracts were analysed using GC-MS to quantify secondary metabolite accumulation in MOF-exposed cultures compared to untreated cultures. Samples that were exposed to either of the two Zr-based MOFs exhibited metabolite production profiles that were similar to each other, (trans-2-Carboxy-cyclo-hexyl)-acetic acid was reduced in the presence of all MOFs, the Cu-containing HKUST-1 MOF increased palmitic acid levels, and ZIF-67 (at 20 mg/L) was found to elicit the highest accumulation of secondary metabolites with potential fragrance applications. These results demonstrate the possibility of eliciting secondary metabolites from dedifferentiated agarwood tree cell culture and may provide an alternative means of sourcing fragrant specialty chemicals from these plants. Agarwood ; Secondary metabolite ; Callus ; Botany ; Chemistry ; Traditional medicine ; Biology ; Medicine ; Biochemistry Wood and Agarwood Research ; Tea Polyphenols and Effects ; Medicinal Plants and Neuroprotection
Authors: Yogesh Kumar | Pragya Trivedi | Avijit Jana | D. Suman | М. Vasundhara
Source: RSC Advances (article, 2025-01-01)
Field: Materials Science — Biomaterials

Preparation of biotemplated Fe<sub>3</sub>O<sub>4</sub> nanoparticles and evaluation of RF-induced heating efficiency for targeted hyperthermia In this study, we report the synthesis of Fe<sub>3</sub>O<sub>4</sub> nanoparticles (NPs) employing a mild sol-gel synthesis method with Fe-nitrate precursors and egg deutoplasm fluid, a bio-template, as stabilizing agent. The Fe<sub>3</sub>O<sub>4</sub> NPs were synthesized with varying concentrations of the stabilizing agent to determine the optimal conditions. The synthesized Fe<sub>3</sub>O<sub>4</sub> NPs were comprehensively characterized to evaluate their structural, morphological, optical, and magnetic properties. The characterization techniques used were X-ray diffraction (XRD), Raman spectroscopy and X-ray photoelectron spectroscopy (XPS), Transmission electron microscopy (TEM), Fourier transform infrared (FTIR) spectroscopy, UV-Visible spectroscopy and Vibrating Sample Magnetometry (VSM). Magnetic measurements were also conducted at room temperature to understand the magnetic behaviour, a crucial property for biomedical applications such as hyperthermia and targeted drug delivery. To explore their potential for hyperthermia applications, the Fe<sub>3</sub>O<sub>4</sub> NPs were exposed to radio-frequency (RF) for evaluating their heating efficiency. The Fe<sub>3</sub>O<sub>4</sub> NPs exhibited significant RF absorption, leading to effective thermal conversion and achieving the target hyperthermic temperature of 42 °C, which is essential for cancer treatment. The ability of the synthesized Fe<sub>3</sub>O<sub>4</sub> NPs to generate localized heat in response to RF energy underscores their potential for precise and controlled hyperthermic therapy. This study highlights the importance of optimizing synthesis conditions to tailor the magnetic properties and heating ability of Fe<sub>3</sub>O<sub>4</sub> NPs for biomedical applications. The findings demonstrate that bio-templated Fe<sub>3</sub>O<sub>4</sub> NPs offer a promising approach for targeted cancer therapy by leveraging RF-induced heating for localized and effective treatment. Raman spectroscopy ; Nanoparticle ; Hyperthermia ; Magnetic nanoparticles ; X-ray photoelectron spectroscopy ; Fourier transform infrared spectroscopy ; Transmission electron microscopy ; Magnetic hyperthermia ; Heat generation Nanoparticle-Based Drug Delivery ; Nanoparticles: synthesis and applications ; Ultrasound and Hyperthermia Applications
Authors: Edyta Chruściel | Lidia Ślusarczyk | Bożena Gładyszewska | Dariusz Karcz | Rafał Luchowski | Aleksandra Nucia | Tomasz Ociepa | Michał Nowak | Krzysztof Kowalczyk | Adam Włodarczyk | Mariusz Gagoś | Sylwia Okoń | Arkadiusz Matwijczuk
Source: Molecules (article, 2025-01-24)
Field: Chemistry — Physical and Theoretical Chemistry

Assessment of the Microbiological Potential and Spectroscopic Properties of New Imino-1,3,4-Thiadiazoles Showing the ESIPT Effect Strongly Enhanced by Aggregation There is currently a growing interest in imino derivatives of compounds such as thiadiazoles and other groups of compounds whose extended π-electron systems enhance their photophysical properties. These compounds also show low toxicity and strong antifungal activity, making them effective against fungal pathogens in crops. For the above reasons, in the first part of the paper, the structure of the selected analogs was considered, and detailed spectroscopic analyses were conducted focusing on the excited state intramolecular proton transfer (ESIPT) process taking place in the same. Measurements were taken in terms of absorption spectroscopy and electron fluorescence, synchronous spectra, and fluorescence lifetimes, as well as calculations of fluorescence quantum efficiency in selected solvents and concentrations. In the spectral observations, the ESIPT process was manifested in several solvents as very distinct dual fluorescence. Moreover, in selected molecules, this phenomenon was strongly related to molecular aggregation, which was associated with not very efficient but nonetheless visible fluorescence of the AIE (Aggregation-Induced Emission) type. In the second part of the paper, a detailed preliminary study is presented exploring the microbiological properties of selected imino-1,3,4-thiadiazole derivatives in the context of their potential applicability as inhibitors affecting the development and growth of some of the most important fungal pathogens attacking cereal crops and posing an increasing threat to modern agriculture. Overall, the research presented in this article provides a detailed, experimental analysis of the spectroscopic properties of selected imino-thiadiazoles and points to their potential use as novel and effective solutions capable of limiting the growth and development of fungal pathogens in cereals. Thiadiazoles ; Context (archaeology) ; Fluorescence ; Intramolecular force ; Chemistry ; Limiting ; Photochemistry ; Fluorescence spectroscopy ; Molecule ; Computational chemistry ; Organic chemistry Photochemistry and Electron Transfer Studies ; Organic Light-Emitting Diodes Research ; Luminescence and Fluorescent Materials
Authors: Bastian Achenbach | Christoph A. Meier | Norbert Stock
Source: Chemistry - A European Journal (article, 2025-06-02)
Field: Chemistry — Inorganic Chemistry

From Nanoparticles to Single Crystals of Al‐MOFs: Synergistic Coordination and pH Modulation, and Rapid Sorption Kinetics Assessment by Optical Calorimetry The properties of metal-organic frameworks (MOFs), such as sorption kinetics or mechanical and chemical stability, not only depend on their composition and chemical structure, but also on their crystal size and morphology. However, the tunability of the crystallite size of aluminum-based MOFs (Al-MOFs) is still a long-standing challenge. In this study, we present systematic high-throughput investigations elucidating the synergistic effects of different mono- and dicarboxylic acids (acetic acid, malonic acid, and oxalic acid) as coordination modulators and NaOH as a pH modulator on the crystal size of various Al-MOFs, with a focus on Al-MIL-53-NO<sub>2</sub>. By varying the type and amount of coordination modulators, we successfully extended the range of achievable particle sizes to nanoparticles as well as large crystals (d<sub>max</sub> ≈ 100 nm - 800 µm) compared to traditional synthesis methods using only coordination modulators. Thus, large crystals as well as nanoparticles of different Al-MOFs could be obtained by simply varying the molar ratio of the different modulators. Additionally, we explored the influence of particle size on CO<sub>2</sub> sorption properties using InfraSORP technology (optical calorimetry), revealing the increase in adsorption rates with decreasing particle size. Sorption ; Oxalic acid ; Nanoparticle ; Particle size ; Chemical engineering ; Metal-organic framework ; Materials science ; Calorimetry ; Crystallite ; Kinetics ; Adsorption ; Particle (ecology) ; Coordination polymer ; Acetic acid ; Inorganic chemistry ; Chemistry ; Nanotechnology ; Crystal structure ; Organic chemistry ; Crystallography ; Physical chemistry Metal-Organic Frameworks: Synthesis and Applications ; Carbon dioxide utilization in catalysis ; Thermal Expansion and Ionic Conductivity
Authors: Xiaonan Wang | Lingjie Hou | Mengyu Dang | Huaiguang Li | Beibei Li | Jiabin Wu | Lizeng Gao
Source: Microstructures (article, 2025-04-21)
Field: Materials Science — Materials Chemistry

Catalytic mechanism and biomedical applications of diatomic nanozymes The diatomic nanozymes (DANs) represent a class of nanomaterials containing dual metals as active centers with enzyme-like activity inspired by natural enzymes. They hold unique catalytic properties caused by their dual-atom structure, which have attracted significant attention. The catalytic mechanism of DANs may involve synergistic interactions between neighboring metal atoms and the regulation of electron arrangement near the active center, enhancing catalytic activity and specificity. The excellent catalytic activity and exceptional stability make DANs promising candidates for developing sensitive biosensors capable of precisely detecting disease markers. Furthermore, DANs show great promise as antitumor therapeutic agents, offering enhanced efficacy while minimizing side effects. This review outlines the catalytic mechanism and biomedical applications of DANs. The discussion section highlights the challenges and prospects in the development of DANs, offering insights for future research endeavors in this field. Diatomic molecule ; Mechanism (biology) ; Catalysis ; Computer science ; Nanotechnology ; Chemistry ; Materials science ; Physics ; Quantum mechanics ; Organic chemistry ; Molecule Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications ; Nanoplatforms for cancer theranostics
Authors: Tilottoma Kargupta | N Pooja | Md. Hafizur Rahman | Inesh Vij | Rajib Biswas | Sanchita Roy | Nirmal Mazumder
Source: Discover Applied Sciences (article, 2025-08-01)
Field: Materials Science — Biomaterials

An insight into thermal, chemical, and structural characterization of biopolymers Abstract Bioplastics have been identified as an eco-friendly substitute for conventional plastics. These bioplastics can be customized according to their usage and availability of raw materials. Bioplastics must undergo certain characterization tests to ensure that their properties and integrity are maintained under set conditions. This is accomplished by testing different parameters, such as surface morphology and thermal, chemical, and structural properties. In this review, we elaborate on the various techniques used to study these parameters while also providing brief insight into the ways in which they have been used thus far. Characterization (materials science) ; Materials science ; Nanotechnology biodegradable polymer synthesis and properties ; Nanocomposite Films for Food Packaging ; Microplastics and Plastic Pollution
Authors: Ruggero Bonetto | Nuria Romero | Federica Sabuzi | Mattia Forchetta | Mirco Natali | Raffaella Signorini | Roger Bofill | Laia Francàs | Marcos Gil-Sepulcre | Olaf Ruediger | Serena DeBeer | Jordi García‐Antón | Karine Philippot | Pierluca Galloni | Andrea Sartorel | Xavier Sala
Source: Green Chemistry (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

KuQuinone-sensitized cobalt oxide nanoparticles for photoelectrocatalytic oxygen evolution with visible light KuQn@Co 3 O 4 nanomaterials combine organic dyes and cobalt oxide for visible light-driven water oxidation, showing high faradaic efficiency in photoelectrochemistry, a sustainable approach using Earth-abundant materials for energy applications. Cobalt oxide ; Cobalt ; Nanoparticle ; Visible spectrum ; Oxygen evolution ; Oxygen ; Oxide ; Chemistry ; Photochemistry ; Chemical engineering ; Materials science ; Inorganic chemistry ; Nanotechnology ; Electrochemistry ; Optoelectronics ; Organic chemistry ; Electrode Advanced Nanomaterials in Catalysis ; TiO2 Photocatalysis and Solar Cells ; Water Quality Monitoring and Analysis
Authors: Kay Hadrick | Panangattukara Prabhakaran Praveen Kumar | Taeho Kim
Source: Preprints.org (preprint, 2025-07-02)
Field: Materials Science — Materials Chemistry

Advancements in Nanoceria for Immunotherapy Applications The immune system is crucial in protecting against disease, but it can also contribute to chronic illnesses when it malfunctions, with different conditions involving either inflammation or immune suppression. Current treatments often fall short due to limited effectiveness and side effects. Nanomedicine, particularly cerium oxide nanoparticles (nanoceria), offers promising potential due to its unique therapeutic properties and role in modulating macrophages. Nanoceria (&amp;amp;lt;5 nm) possess the catalytic ability to mimic natural enzymes such as superoxide dismutase, peroxidase, and catalase, enabling effective scavenging of reactive oxygen species (ROS), which play a central role in the pathogenesis of chronic inflammation and cancer. This review comprehensively summarizes the current advances in the application of nanoceria for inflammatory and anti-inflammatory therapy, including their modulatory effects on immune cell activation, cytokine production, and resolution of inflammatory responses. We discuss the mechanisms underlying their immunomodulatory actions in various disease contexts, such as rheumatoid arthritis, women’s health conditions (e.g., endometriosis), wound healing, and cancer. Additionally, the review highlights biocompatibility, therapeutic efficacy, adaptability in imaging (theranostics), and challenges in translating nanoceria-based therapies into clinical practice. The multifunctionality of nanoceria positions them as innovative candidates for next-generation immunotherapy aimed at efficiently controlling inflammation and promoting tissue repair. Immunotherapy ; Medicine ; Computer science ; Immunology ; Immune system Advanced Nanomaterials in Catalysis ; Gold and Silver Nanoparticles Synthesis and Applications ; Machine Learning and ELM