jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Mathew Olurotimi Adeoti | Tamba Jamiru | T. A. Adegbola | Ibrahim Suleiman | Mohammed Abdullahi | Basiru Philip Aramide
Source: eXPRESS Polymer Letters (review, 2024-12-15)
Field: Materials Science — Polymers and Plastics

Selection criteria of polymer nanocomposites for electrical energy storage applications: A concise review Polymer nanocomposites are drawing considerable interest in electrical energy storage research owing to their distinctive characteristics and promising roles in various devices, such as batteries, supercapacitors, and fuel cells.This review examines the selection criteria of polymer nanocomposites for electrical energy storage applications and the current advancements in developing and producing polymer nanocomposites specifically tailored for electrical energy storage applications.Key topics covered include the selection of polymer matrices, choice of nanofillers, fabrication techniques, characterization methods, and performance evaluation of the resulting nanocomposites.The impact of nanofiller dispersion, interface engineering, and morphology control on electrical storage properties is emphasized.Proper dispersion enhances uniformity and interfacial interactions, improving electrical, mechanical, and thermal properties.Interface engineering boosts polymer-nanofiller compatibility, while morphology control optimizes nanofiller structure and arrangement for better storage efficiency.Emerging trends, challenges, and future research directions are also discussed, providing insights for developing advanced polymer nanocomposites with improved electrical energy storage capabilities. Materials science ; Selection (genetic algorithm) ; Energy storage ; Polymer ; Nanocomposite ; Polymer science ; Polymer nanocomposite ; Process engineering ; Composite material ; Computer science ; Engineering ; Artificial intelligence ; Thermodynamics ; Power (physics) Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Dielectric materials and actuators
Authors: Nan‐Chieh Chiu | Andrzej Gładysiak | Ankit K. Yadav | Coset Abreu‐Jaureguí | Alicia Manjón‐Sanz | Cheng Li | Hongliang Huang | Joaquín Silvestre‐Albero | Kyriakos C. Stylianou
Source: ACS Materials Letters (article, 2024-08-06)
Field: Chemistry — Inorganic Chemistry

Gas Adsorption Snapshots in Metal–Organic Frameworks Unveil the Impact of Pore Geometry on Hydrogen Storage Metal–organic frameworks (MOFs) are promising candidates for hydrogen (H2) storage. However, effective H2 storage in MOFs is challenging, because of weak adsorbent–adsorbate interactions. Optimizing the pore volume, size, and functionality in porous MOFs is crucial, but it is still unclear how to maximize H2 storage capacity while minimizing loading pressure. Herein, we investigate Al-TBAPy (H4TBAPy: 1,3,6,8-tetrakis(p-benzoic acid)pyrene), a low-density MOF, for H2 storage. Al-TBAPy features three interconnected pores (A–C), possesses a pore volume of 0.51 cm3/g, and demonstrates a H2 uptake of 22.5 mmol/g at 77 K and 100 bar. In situ deuterium (D2) gas loading neutron diffraction experiments reveal molecular-level insights into pore filling. Pores B and C exhibit high H2 affinity, while pore A, with a larger volume, takes up more H2 molecules. The collective properties of all pores and their interconnection result in a high deliverable gravimetric H2 capacity of 4.3 wt % under combined temperature and pressure swing conditions. Hydrogen storage ; Gravimetric analysis ; Adsorption ; Metal-organic framework ; Volume (thermodynamics) ; Porosity ; Materials science ; Hydrogen ; Benzoic acid ; Chemical engineering ; Molecule ; Chemistry ; Organic chemistry ; Composite material ; Thermodynamics Metal-Organic Frameworks: Synthesis and Applications ; Hydrogen Storage and Materials ; Boron and Carbon Nanomaterials Research
Authors: Chen Liu | Yukun Ma | Ronghong Lian | Jiayin Chen | Ming-Cheng Yang | Jiajia Cheng
Source: ChemSusChem (article, 2024-01-19)
Field: Chemistry — Organic Chemistry

Regulation of Photogenerated Redox Species through High Crystallinity Carbon Nitride for Improved C−S Coupling Reactions A novel and efficient approach for the synthesis of α, β-unsaturated sulfones through heterogeneous photocatalyzed C-S coupling reactions have been developed. The use of molten-salt method derived carbon nitride (MCN), a transition metal-free polymeric photocatalyst, combined with enhanced crystallinity and potassium iodide as an additive, effectively modulates photogenerated reactive redox species, markedly increasing the overall reaction selectivity. This method achieves the shortest reaction time (2 h) with high yield (up to 95 %) among the reported heterogeneous catalytic C-S bond formation reactions, matching the efficiency of the homogeneous photocatalysts. Furthermore, the application to challenging alkyne substrates has been demonstrated, underscoring the potential for a broad range of applications in pharmaceutical research and synthetic chemistry. Redox ; Crystallinity ; Chemistry ; Carbon nitride ; Catalysis ; Coupling reaction ; Photochemistry ; Photocatalysis ; Graphitic carbon nitride ; Oxidative coupling of methane ; Inorganic chemistry ; Combinatorial chemistry ; Organic chemistry Sulfur-Based Synthesis Techniques ; Advanced Photocatalysis Techniques ; Radical Photochemical Reactions
Authors: Belinda Español-Sánchez | María Galiana‐Cameo | Asier Urriolabeitia | Víctor Polo | Vincenzo Passarelli | Jesús J. Pérez‐Torrente | Ricardo Castarlenas
Source: Organometallics (article, 2024-11-13)
Field: Chemistry — Organic Chemistry

Tuning the Pyridone Scaffold within a Rhodium-NHC Platform for <i>gem</i>-Specific Alkyne Dimerization via a Ligand-Assisted Proton Shuttle Mechanism -Miscellaneous information, including NMR data of complexes and organic products, and DFT calculation data (PDF). -Optimized coordinates for the computed compounds (XYZ). Chemistry ; Alkyne ; Rhodium ; Ligand (biochemistry) ; Scaffold ; Combinatorial chemistry ; Proton ; Carbene ; Mechanism (biology) ; Stereochemistry ; Polymer chemistry ; Catalysis ; Organic chemistry ; Biochemistry N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Catalytic Cross-Coupling Reactions ; Catalytic C–H Functionalization Methods
Authors: Cristina Rodríguez-Carrillo | Miriam Benítez | Marta González-Fernández | Ruth de los Reyes | Sonia Murcia‐Mascarós | Jamal El Haskouri | Pedro Amorós | José V. Ros‐Lis
Source: Microporous and Mesoporous Materials (article, 2024-08-26)
Field: Materials Science — Materials Chemistry

Solid-state microwave assisted batch and flow synthesis, and life cycle assessment, of titanium containing UVM-7 mesoporous silica UVM-7 is a bimodal mesoporous silica material that can be prepared in a short time with microwave assisted synthesis (MAS). It is prepared following the atrane route, that allows the synthesis of mixed silicas including other elements with homogeneous distribution. We report herein the preparation of Ti-UVM-7 with using the atrane route in combination with MAS with solid-state generators. The synthesis has been optimized and scaled-up in batch. Also, the flow synthesis has been developed. These materials have not been prepared before using solid-state generators, nor microwave-assisted flow chemistry. The materials have been characterized by XRD, N 2 adsorption-desorption, TEM, EDX, Raman, and Z potential. The materials can be prepared in less than 10 min with a Si/Ti ratio of up to 3.8, and a homogeneous Ti distribution within the UVM-7 silica structure. Scaled-up synthesis produces 33 g of Ti-UVM-7 in 10 min and 12 g h −1 in batch and flow synthesis respectively. The optical properties and sun protection factor of the resulting materials were studied. The band gap decreases as titanium concentration increases, reaching 4.1 eV for the highest concentration. Life Cycle Assessment confirms a strong reduction in the impact derived from the scale-up with similar values of approximately 10 points in the single score for the preparation of 1 kg of Ti-UVM-7. • Solid-state microwave generators have been applied to the preparation of Ti-UVM-7. • The atrane route in combination with microwaves offer an effective approach to the preparation of titanium containing porous silicas. • The successful upscaling of Ti-UVM-7 synthesis has been achieved in batch and flow. • These materials show potential for application in sunscreens due to their enhanced UVA and UVB attenuation capabilities. Materials science ; Mesoporous material ; Titanium ; Raman spectroscopy ; Homogeneous ; Mesoporous silica ; Sol-gel ; Chemical engineering ; Catalysis ; Nanotechnology ; Chemistry ; Organic chemistry ; Metallurgy Catalytic Processes in Materials Science ; Mesoporous Materials and Catalysis ; Zeolite Catalysis and Synthesis
Authors: Fahrul Nurkolis | Rudy Kurniawan | Elvan Wiyarta | Rony Abdi Syahputra | Reggie Surya | Nurpudji Astuti Taslim | Trina Ekawati Tallei | Raymond R. Tjandrawinata | Eli Y. Adashi | Bonglee Kim
Source: Molecules (article, 2024-03-14)
Field: Materials Science — Materials Chemistry

Unraveling Light-Activated Insulin Action in Regulating Blood Glucose: New Photoactivatable Insight as a Novel Modality in Diabetes Management Diabetes, particularly type 2 diabetes (T2D), is the main component of metabolic syndrome. It is highly prevalent and has drastically increased with sedentary lifestyles, notably behaviors linked to ease of access and minimal physical activity. Central to this condition is insulin, which plays a pivotal role in regulating glucose levels in the body by aiding glucose uptake and storage in cells, and what happens to diabetes? In diabetes, there is a disruption and malfunction in insulin regulation. Despite numerous efforts, effectively addressing diabetes remains a challenge. This article explores the potential of photoactivatable drugs in diabetes treatment, with a focus on light-activated insulin. We discuss its advantages and significant implications. This article is expected to enrich the existing literature substantially, offering a comprehensive analysis of potential strategies for improving diabetes management. With its minimal physical intrusion, light-activated insulin promises to improve patient comfort and treatment adherence. It offers precise regulation and localized impact, potentially mitigating the risks associated with conventional diabetes treatments. Additionally, light-activated insulin is capable of explicitly targeting RNA and epigenetic factors. This innovative approach may pave the way for more personalized and effective diabetes treatments, addressing not only the symptoms but also the underlying biological causes of the disease. The advancement of light-activated insulin could revolutionize diabetes management. This study represents a pioneering introduction to this novel modality for diabetes management. Diabetes mellitus ; Insulin ; Type 2 diabetes ; Medicine ; Diabetes management ; Bioinformatics ; Endocrinology ; Biology Photochromic and Fluorescence Chemistry ; Radical Photochemical Reactions ; Click Chemistry and Applications
Authors: Paweł Stelmaszczyk | Mateusz Iwan | Dominika Pawcenis | Renata Wietecha‐Posłuszny
Source: Molecules (article, 2024-02-07)
Field: Chemistry — Analytical Chemistry

Comparison of ZrO2 Particles and Polyaniline as Additives in Polystyrene-Based Sorbents for the Micro-Solid Phase Extraction of Psychoactive Drugs from Biofluids The intensive development of extraction methods based on μ-SPE extraction contributes to the increased interest in the synthesis of new sorption materials. This work presents the characterization of polystyrene fibers and polystyrene fibers blended with ZrO<sub>2</sub> particles or polyaniline obtained by electrospinning and their use in the extraction of selected psychoactive drugs from biological samples. The characteristic of produced fibers is made by performing SEM images, measuring average fiber diameter, and examining their sorption abilities. Among the fibers based on pure polystyrene, tested in the first stage, the best sorption properties are demonstrated for the fibers obtained from a polystyrene solution in DMF with a concentration of 17.5 wt%. In the next stage, this material was modified with synthesized ZrO<sub>2</sub> particles and polyaniline. Among the tested materials, the sorbent based on polystyrene with polyaniline shows the best sorption properties of the tested substances. The use of this material in the μ-SPE in a needle enables the extraction of selected compounds from aqueous and biological samples such as urine and human plasma. Polyaniline ; Solid phase extraction ; Extraction (chemistry) ; Polystyrene ; Materials science ; Phase (matter) ; Chemistry ; Nuclear chemistry ; Chromatography ; Organic chemistry ; Polymer Analytical chemistry methods development ; Analytical Chemistry and Chromatography ; Microfluidic and Capillary Electrophoresis Applications
Authors: Jyothy G. Vijayan | T. Niranjana Prabhu
Source: Macromolecular Symposia (article, 2024-04-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent Advancement in Porous Graphene from Synthesis to Properties: Critical Review on Functionalization Chemistry and Applications Abstract Graphene is the main allotropy of carbon which exhibits properties like super conductivity, high electron transfer, and large surface area. Porous graphene (PG) has unique porous structure and many exposed edges. In 2D graphene pore ranges from several angstroms to nanometers. Similar to 3D graphene, which also has a porous structure, there are four different types: foam, sponge, and graphene hydrogel (GH). Graphene oxide (GO) and reduced graphene oxide (rGO) are used to create PG. This review focuses on various methods of synthesis of PG along with its inherent properties and methods to modify its properties by surface functionalization. Emphasis is also given on the discussion of various techniques that are involved in the PG characterization. This article discusses the formation of hybrids, and composites using PG. Applications and limitations of PG have also been indicated. This review shows an extensive overview of the main principles and the recent synthetic technologies about fabricating various innovative 3D graphene‐based materials. Subsequently, recent progresses in electrochemical energy devices and hydrogen energy generation/storage are explicitly covered. The applications of PG and its composites in the fields such as energy storage, solar units, sensors, supercapacitors, etc. have been discussed The up to date progress for pollutants detection and environmental remediation are also reviewed. Finally, challenges and outlooks in materials development for different applications are suggested. Graphene ; Materials science ; Surface modification ; Nanotechnology ; Supercapacitor ; Oxide ; Porosity ; Characterization (materials science) ; Energy storage ; Nanometre ; Electrochemistry ; Chemical engineering ; Composite material ; Chemistry ; Electrode Supercapacitor Materials and Fabrication ; Graphene research and applications ; Advancements in Battery Materials
Authors: Noelia De la Cruz Gómez | César Poza‐Carrión | Lucía Del Castillo-González | Ángel Isidro Martínez Sánchez | Ana Moliner | Inmaculada Aranaz | Marta Berrocal‐Lobo
Source: Plants (article, 2024-08-04)
Field: Materials Science — Biomaterials

Enhancing Solanum lycopersicum Resilience: Bacterial Cellulose Alleviates Low Irrigation Stress and Boosts Nutrient Uptake The use of natural-origin biomaterials in bioengineering has led to innovative approaches in agroforestry. Bacterial cellulose (BC), sharing the same chemical formula as plant-origin cellulose (PC), exhibits significantly different biochemical properties, including a high degree of crystallinity and superior water retention capacity. Previous research showed that natural-origin glucose-based chitin enhanced plant growth in both herbaceous and non-herbaceous plants. In this study, we produced BC in the laboratory and investigated its effects on the substrate and on <i>Solanum lycopersicum</i> seedlings. Soil amended with BC increased root growth compared with untreated seedlings. Additionally, under limited irrigation conditions, BC increased global developmental parameters including fresh and dry weight, as well as total carbon and nitrogen content. Under non-irrigation conditions, BC contributed substantially to plant survival. RNA sequencing (Illumina<sup>®</sup>) on BC-treated seedlings revealed that BC, despite its bacterial origin, did not stress the plants, confirming its innocuous nature, and it lightly induced genes related to root development and cell division as well as inhibition of stress responses and defense. The presence of BC in the organic substrate increased soil availability of phosphorus (P), iron (Fe), and potassium (K), correlating with enhanced nutrient uptake in plants. Our results demonstrate the potential of BC for improving soil nutrient availability and plant tolerance to low irrigation, making it valuable for agricultural and forestry purposes in the context of global warming. Herbaceous plant ; Cellulose ; Bacterial cellulose ; Crystallinity ; Solanum ; Nutrient ; Resilience (materials science) ; Substrate (aquarium) ; Botany ; Chemistry ; Horticulture ; Materials science ; Biology ; Biochemistry ; Ecology ; Composite material ; Organic chemistry Advanced Cellulose Research Studies ; Polysaccharides and Plant Cell Walls ; Plant-Microbe Interactions and Immunity
Authors: Sanaa Musa | Yuval Peretz | Gil Dinnar
Source: International Journal of Molecular Sciences (review, 2024-09-26)
Field: Chemistry — Inorganic Chemistry

Advances in Chiral Pincer Complexes: Insights and Applications in Catalytic Asymmetric Reactions Chiral pincer complexes, characterized by their rigid tridentate coordination framework, have emerged as powerful catalysts in asymmetric synthesis. This review provides a comprehensive overview of recent advancements in the development of chiral pincer-type ligands and their corresponding transition metal complexes. We highlight the latest progress in their application across a range of catalytic asymmetric reactions, including the (transfer) hydrogenation of polar and non-polar bonds, hydrophosphination, alkynylation, Friedel-Crafts reactions, enantioselective reductive cyclization of alkynyl-tethered cyclohexadienones, enantioselective hydrosilylation, as well as Aza-Morita-Baylis-Hillman reactions. The structural rigidity and tunability of chiral pincer complexes enable precise control over stereoselectivity, resulting in high enantioselectivity and efficiency in complex molecular transformations. As the field advances, innovations in ligand design and the exploration of new metal centers are expected to expand the scope and utility of these catalysts, bearing significant implications for the synthesis of enantioenriched compounds in pharmaceuticals, materials science, and beyond. Enantioselective synthesis ; Pincer movement ; Chemistry ; Combinatorial chemistry ; Catalysis ; Hydrosilylation ; Organic chemistry Asymmetric Hydrogenation and Catalysis ; Catalytic C–H Functionalization Methods ; Surface Chemistry and Catalysis
Authors: Anjana Sathyan | Emmanouil Archontakis | A. J. H. Spiering | Lorenzo Albertazzi | Anja R. A. Palmans
Source: Molecules (article, 2024-04-18)
Field: Chemistry — Organic Chemistry

Effect of Particle Heterogeneity in Catalytic Copper-Containing Single-Chain Polymeric Nanoparticles Revealed by Single-Particle Kinetics Single-chain polymeric nanoparticles (SCPNs) have been extensively explored as a synthetic alternative to enzymes for catalytic applications. However, the inherent structural heterogeneity of SCPNs, arising from the dispersity of the polymer backbone and stochastic incorporation of different monomers as well as catalytic moieties, is expected to lead to variations in catalytic activity between individual particles. To understand the effect of structural heterogeneities on the catalytic performance of SCPNs, techniques are required that permit researchers to directly monitor SCPN activity at the single-polymer level. In this study, we introduce the use of single-molecule fluorescence microscopy to study the kinetics of Cu(I)-containing SCPNs towards depropargylation reactions. We developed Cu(I)-containing SCPNs that exhibit fast kinetics towards depropargylation and Cu-catalyzed azide-alkyne click reactions, making them suitable for single-particle kinetic studies. SCPNs were then immobilized on the surface of glass coverslips and the catalytic reactions were monitored at a single-particle level using total internal reflection fluorescence (TIRF) microscopy. Our studies revealed the interparticle turnover dispersity for Cu(I)-catalyzed depropargylations. In the future, our approach can be extended to different polymer designs which can give insights into the intrinsic heterogeneity of SCPN catalysis and can further aid in the rational development of SCPN-based catalysts. Catalysis ; Dispersity ; Total internal reflection fluorescence microscope ; Particle (ecology) ; Kinetics ; Polymer ; Nanoparticle ; Monomer ; Chemistry ; Chemical engineering ; Materials science ; Nanotechnology ; Polymer chemistry ; Organic chemistry Advanced Polymer Synthesis and Characterization ; Nanoparticle-Based Drug Delivery ; Polymer Surface Interaction Studies
Authors: Nicola Melis | Danilo Loche | Swapneel Vijay Thakkar | Maria Giorgia Cutrufello | Maria Franca Sini | Gianmarco Sedda | Luca Pilia | Angelo Frongia | Maria Francesca Casula
Source: Molecules (article, 2024-05-09)
Field: Chemistry — Organic Chemistry

Magnetic Aerogels for Room-Temperature Catalytic Production of Bis(indolyl)methane Derivatives The potential of aerogels as catalysts for the synthesis of a relevant class of bis-heterocyclic compounds such as bis(indolyl)methanes was investigated. In particular, the studied catalyst was a nanocomposite aerogel based on nanocrystalline nickel ferrite (NiFe<sub>2</sub>O<sub>4</sub>) dispersed on amorphous porous silica aerogel obtained by two-step sol-gel synthesis followed by gel drying under supercritical conditions and calcination treatments. It was found that the NiFe<sub>2</sub>O<sub>4</sub>/SiO<sub>2</sub> aerogel is an active catalyst for the selected reaction, enabling high conversions at room temperature, and it proved to be active for three repeated runs. The catalytic activity can be ascribed to both the textural and acidic features of the silica matrix and of the nanocrystalline ferrite. In addition, ferrite nanocrystals provide functionality for magnetic recovery of the catalyst from the crude mixture, enabling time-effective separation from the reaction environment. Evidence of the retention of species involved in the reaction into the catalyst is also pointed out, likely due to the porosity of the aerogel together with the affinity of some species towards the silica matrix. Our work contributes to the study of aerogels as catalysts for organic reactions by demonstrating their potential as well as limitations for the room-temperature synthesis of bis(indolyl)methanes. Aerogel ; Catalysis ; Calcination ; Nanocrystalline material ; Chemical engineering ; Materials science ; Supercritical fluid ; Nanocomposite ; Sol-gel ; Porosity ; Amorphous solid ; Ferrite (magnet) ; Supercritical drying ; Inorganic chemistry ; Organic chemistry ; Chemistry ; Nanotechnology ; Composite material Synthesis of Indole Derivatives ; Ionic liquids properties and applications ; Chemical Synthesis and Reactions