jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Avishek Guin | Shiksha Deswal | Akkattu T. Biju
Source: ChemRxiv (preprint, 2024-04-02)
Field: Chemistry — Organic Chemistry

Lewis acid-catalyzed diastereoselective ene reaction of thioindolinones with bicyclobutanes Bicyclo[1.1.0]butanes (BCBs), featuring two fused cyclopropane rings, have found widespread application in organic synthesis. Their versatile reactivity towards radicals, nucleophiles, cations, and carbenes makes them suitable for various reactions, including ring-opening and annulation strategies. Despite this versatility, their potential as enophiles in an ene reaction remains underexplored. Considering this and given the challenges of achieving diasteroselectivity in ring-opening reactions of BCBs, herein, we present a unique method utilizing BCBs as enophiles in a mild and diastereoselective Sc(OTf)3-catalyzed ene reaction with thioindolinones, delivering 1,3-disubstituted cyclobutane derivatives in high yields and excellent regio- and diastereoselectivity. Notably, structurally different thione derivatives underwent diastereoselective addition to BCBs, affording the corresponding cyclobutanes. The synthesized thioindole-substituted cyclobutanes could serve as a versatile tool for subsequent functional group manipulations. Cyclobutanes ; Cyclobutane ; Annulation ; Chemistry ; Nucleophile ; Cyclopropane ; Ene reaction ; Ring (chemistry) ; Bicyclic molecule ; Catalysis ; Lewis acids and bases ; Radical ; Reactivity (psychology) ; Combinatorial chemistry ; Stereochemistry ; Medicinal chemistry ; Organic chemistry Cyclopropane Reaction Mechanisms ; Catalytic C–H Functionalization Methods ; Sulfur-Based Synthesis Techniques
Authors: Manish S. Deshmukh
Source: International Journal of Engineering Research and Applications (article, 2024-10-01)
Field: Materials Science — Materials Chemistry

In-Depth Analysis of Hydrogen Storage Technologies: Recent Developments, Emerging Trends, and Future Prospects in Physical, Chemical, and Hybrid Methods Storing the element is one of the obstacles in developing hydrogen-powered energy systems. This article outlines and categorizes current trends and advancements in hydrogen storage technology and applications between 2020 and 2024. This article discusses the properties, utility, and potential applications of physical, chemical, and combination storage systems, as well as recent research discoveries. This study focuses on major trends, prospective goals, and current developments in the field of material research. Topics discussed include advances in metal and chemical hydrides, compressed and liquid hydrogen tanks, and hybrid devices. Readers are properly informed about the many hydrogen storage options available, as well as safety and environmental concerns. Hydrogen storage ; Computer science ; Risk analysis (engineering) ; Process engineering ; Hydrogen ; Environmental science ; Engineering ; Chemistry ; Business Hydrogen Storage and Materials ; Catalytic Processes in Materials Science ; Advancements in Solid Oxide Fuel Cells
Authors: Daniel Vasiliev | Shay Tirosh | Assaf Ben‐Moshe
Source: Chirality (article, 2024-10-01)
Field: Chemistry — Physical and Theoretical Chemistry

Experimental Determination of the Chiral and Achiral Shape Diagrams of Tellurium Nanocrystals The interface between chirality and crystallization and mechanisms by which chirality propagates from crystal structure to overall shapes of crystals are a key topic in crystallography and stereochemistry. Recently, nanocrystals attracted attention as useful model systems for this kind of studies. Specifically, tellurium nanocrystals have been used to address questions on relations between chirality of the crystal structure and that of the overall shape. Previous studies of this system did not offer a comprehensive shape diagram and did not survey all the factors that determine whether shapes that form are chiral or not. In the current report, the distribution of chiral and achiral shapes in this system as a function of different physical and chemical parameters is determined experimentally. It is shown that there is a common logic for formation of chiral shapes, that is, growth at conditions that favor the growth of more reactive nuclei. The experiments also reveal more morphologies than previously encountered, suggesting that a systematic change of conditions in nanocrystal growth is key for identifying morphologies that exist only in a narrow range of conditions. Chirality (physics) ; Nanocrystal ; Chemistry ; Tellurium ; Crystallization ; Diagram ; Chemical physics ; Phase diagram ; Crystallography ; Crystal (programming language) ; Nanotechnology ; Materials science ; Phase (matter) ; Physics ; Organic chemistry ; Chiral symmetry ; Quantum mechanics ; Mathematics Crystallography and molecular interactions ; Spectroscopy and Quantum Chemical Studies ; nanoparticles nucleation surface interactions
Authors: María Luisa Juárez-Gómez | Corina Hayano‐Kanashiro | Diana Fimbres-Olivarría
Source: Latin American Journal of Aquatic Research (article, 2024-10-30)
Field: Materials Science — Biomaterials

Effect of wavelengths on the growth and chemical-proximal composition of diatoms Amphora aff. amoena and Chaetoceros muelleri Amphora aff. amoena and Chaetoceros muelleri are potential diatoms with good proximal composition and the ability to grow rapidly. Like other microalgae, this composition can be improved by adjusting their culture conditions, such as exposure to different light conditions. However, there is still a need to explore these culture conditions further and their effect on these diatoms. This study aimed to evaluate the chemical-proximal composition of the diatoms A. aff. amoena and C. muelleri under three wavelengths: white (WL) range (400-750 nm), blue (BL) range (430-480 nm), and red (RL) range (595-660 nm), at an irradiance of 200 μmol m-2 s-1 using LED lights. In both species, A. aff. amoena and C. muelleri, the highest cell concentration under WL was: 216,250 and 1,198,125 cells mL-1, respectively. The carbohydrate content was 5.80% for A. aff. amoena and 2.21% for C. muelleri, while protein content was 13.41% for A. aff amoena and 12.31% for C. muelleri. Lipids were found to be most abundant in A. aff. amoena when exposed to RL (37.19%) and C. muelleri (60.48%) when exposed to BL. No significant differences were found in A. aff. amoena under different light conditions. Amphora ; Chaetoceros ; Botany ; Composition (language) ; Chemistry ; Biology ; Ecology ; Geography ; Phytoplankton ; Art ; Nutrient Diatoms and Algae Research ; Algal biology and biofuel production
Authors: Tomasz Błachowicz | Andrea Ehrmann
Source: Magnetochemistry (article, 2024-07-24)
Field: Materials Science — Biomaterials

Magnetic Substrates for Tissue Engineering—A Review Tissue engineering is based on combining cells with suitable scaffolds and growth factors. Recently, bone tissue engineering has been especially investigated deeply due to a large number of bone-related diseases. One approach to improve scaffolds is based on using piezoelectric materials as a way to influence the growing bone tissue by mechanical stress. Another method to stimulate tissue growth is by applying an external magnetic field to composites of magnetostrictive and piezoelectric materials, as well as the possibility to prepare oriented surfaces by orienting embedded magnetic fibers or nanoparticles. In addition, magnetic scaffolds without other special properties have also been reported to show improved properties for bone tissue and other tissue engineering. Here, we provide an overview of recent research on magnetic scaffolds for tissue engineering, differentiating between bone and other tissue engineering. We show the advantages of magnetic scaffolds, especially related to cell guidance and differentiation, and report recent progress in the production and application of such magnetic substrates for different areas of tissue engineering. Materials science Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine
Authors: Sifeddine Mohamed Aouina | Anthony Lapray | Jean‐Valère Naubron | Nicolas Vanthuyne | Vincent Levacher | Sylvain Oudeyer | Stéphane Perrio | Jean‐François Brière
Source: Organic Letters (article, 2024-10-18)
Field: Chemistry — Organic Chemistry

Organocatalytic Strategy for a Formal 1,6-Conjugate Hydroxylation Thanks to the versatile vinylogous hexafluoro <i>iso</i>-propyl acrylate molecular platforms, a regio- and enantioselective sulfa-Michael reaction was achieved upon organocatalytic conditions, allowing the subsequent amidation, one-pot oxidation, and Mislow-Bravermann-Evans [2,3]-sigmatropic rearrangement along with a 1,3-chirality transfer, leading eventually to a formal asymmetric 1,6-hydroxylation sequence. Chemistry ; Hydroxylation ; Conjugate ; Formal synthesis ; Combinatorial chemistry ; Stereochemistry ; Catalysis ; Organic chemistry ; Mathematics ; Enzyme Asymmetric Synthesis and Catalysis ; Chemical Synthesis and Reactions ; Synthetic Organic Chemistry Methods
Authors: Ilshat Bogdanov | Diana Mironova | Elza D. Sultanova | В. А. Бурилов | S. Е. Solovieva | И. С. Антипин
Source: Molecules (article, 2024-11-17)
Field: Chemistry — Organic Chemistry

New Asymmetric Gemini Triazole Surfactants with a Polar Triethylene Glycol Fragment: Synthesis and Physico-Chemical Properties The present work is devoted to the synthesis and analysis of the physicochemical properties of new functionalized asymmetric Gemini surfactants. Herein, alkyl- and azide-substituted surfactants with symmetric and asymmetric substituents were synthesized by using the click-reaction method. The critical aggregation concentration values of Gemini surfactants were determined. The binding processes of functionalized Gemini surfactants with bovine serum albumin were evaluated by fluorescence spectroscopy. Also, using the temperature dependences of the binding constants, the mechanism of Gemini surfactants binding with bovine serum albumin was studied. The hydrodynamic diameters of the formed bovine serum albumin/surfactant aggregates were analyzed. Based on electrophoretic light scattering, the ability of the synthesized Gemini surfactants to form associates was analyzed. The possibility of changing the mechanism of interaction in the 15c/bovine serum albumin system was shown. Based on the results obtained using different light scattering techniques and fluorescence spectroscopy, the mechanisms of interaction between bovine serum albumin and surfactants were determined. Bovine serum albumin ; Chemistry ; Dynamic light scattering ; Triethylene glycol ; Pulmonary surfactant ; Alkyl ; Fluorescence spectroscopy ; Hydrophobic effect ; Serum albumin ; Polymer chemistry ; Fluorescence ; Chromatography ; Organic chemistry ; Chemical engineering ; Biochemistry ; Nanoparticle Surfactants and Colloidal Systems ; Protein Interaction Studies and Fluorescence Analysis ; Hemoglobin structure and function
Authors: Matthew W. Eskew | Patrick N. Reardon | Albert S. Benight
Source: PLoS ONE (article, 2024-03-01)
Field: Chemistry — Physical and Theoretical Chemistry

DNA-based assay for calorimetric determination of protein concentrations in pure or mixed solutions It was recently reported that values of the transition heat capacities, as measured by differential scanning calorimetry, for two globular proteins and a short DNA hairpin in NaCl buffer are essentially equivalent, at equal concentrations (mg/mL). To validate the broad applicability of this phenomenon, additional evidence for this equivalence is presented that reveals it does not depend on DNA sequence, buffer salt, or transition temperature (Tm). Based on the equivalence of transition heat capacities, a calorimetric method was devised to determine protein concentrations in pure and complex solutions. The scheme uses direct comparisons between the thermodynamic stability of a short DNA hairpin standard of known concentration, and thermodynamic stability of protein solutions of unknown concentrations. Sequences of two DNA hairpins were designed to confer a near 20°C difference in their Tm values. In all cases, evaluated protein concentrations determined from the DNA standard curves agreed with the UV-Vis concentration for monomeric proteins. For multimeric proteins evaluated concentrations were greater than determined by UV-Vis suggesting the calorimetric approach can also be an indicator of molecular stoichiometry. Differential scanning calorimetry ; Globular protein ; DNA ; Calorimetry ; Monomer ; Chemistry ; Stoichiometry ; Crystallography ; Analytical Chemistry (journal) ; Thermodynamics ; Chromatography ; Biochemistry ; Physical chemistry ; Physics ; Organic chemistry ; Polymer thermodynamics and calorimetric analyses ; RNA and protein synthesis mechanisms ; Lipid Membrane Structure and Behavior
Authors: Qing Huang | Jiahao Tang | Yunchuan Ding | Fangping Li
Source: Frontiers in Endocrinology (article, 2024-04-29)
Field: Materials Science — Materials Chemistry

Application and design considerations of ROS-based nanomaterials in diabetic kidney disease Diabetic nephropathy (DKD) is a common chronic complication of diabetes mellitus and an important cause of cardiovascular-related death. Oxidative stress is a key mechanism leading to diabetic nephropathy. However, the current main therapeutic approach remains combination therapy and lacks specific therapies targeting oxidative stress. With the development of nanotechnology targeting ROS, therapeutic fluids regarding their treatment of diabetic nephropathy have attracted attention. In this review, we provide a brief overview of various ROS-based nanomaterials for DKD, including ROS-scavenging nanomaterials, ROS-associated nanodelivery materials, and ROS-responsive nanomaterials. In addition, we summarize and discuss key factors that should be considered when designing ROS-based nanomaterials, such as biosafety, efficacy, targeting, and detection and monitoring of ROS. Oxidative stress ; Diabetic nephropathy ; Medicine ; Diabetes mellitus ; Biosafety ; Nephropathy ; Reactive oxygen species ; Bioinformatics ; Cancer research ; Biology ; Internal medicine ; Cell biology ; Endocrinology ; Pathology Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Sulfur Compounds in Biology
Authors: Nicole Parra‐Muñoz | Valentina López-Monsalves | Rodrigo Espinoza-González | Daniel Aravena | Nancy Pizarro | Mónica Soler
Source: Nanomaterials (article, 2024-06-13)
Field: Materials Science — Materials Chemistry

Synthesis and Optical Properties of a Novel Hybrid Nanosystem Based on Covalently Modified nSiO2 Nanoparticles with a Curcuminoid Molecule A new curcuminoid molecule (<b>3</b>) has been designed and synthesized, containing a central -(CH<sub>2</sub>)<sub>2</sub>-COOH chain at the α carbon of the keto-enol moiety in the structure. The carboxylic acid group is added to react with exposed amino groups on silica oxide nanoparticles (nSiO<sub>2</sub>), forming an amide bond to attach the curcuminoid moiety to the nSiO<sub>2</sub> covalently. The Kaiser test quantifies the functionalization degree, yielding 222 μmol of curcuminoid per gram of nanoparticles. The synthesized hybrid nanosystem, nSiO<sub>2</sub>-NHCO-CCM, displays significant emission properties, with a maximum emission at 538 nm in dichloromethane, similar to curcuminoid <b>1</b> (without the central chain), which emits at 565 nm in the same solvent. Solvent-induced spectral effects on the absorption and emission bands of the new hybrid nanosystem are confirmed, similar to those observed for the free curcuminoid (<b>1</b>). The new nanosystem is evaluated in the presence of kerosene in water, showing an emission band at 525 nm as a detection response. The ability of nSiO<sub>2</sub>-NHCO-CCM to change its fluorescence when interacting with kerosene in water is notable, as it overcomes the limitation caused by the insolubility of free curcuminoid <b>1</b> in water, allowing for the exploitation of its properties when connected to the water-stable nanosystem for future detection studies. Curcuminoid ; Nanoparticle ; Covalent bond ; Molecule ; Nanotechnology ; Materials science ; Chemistry ; Combinatorial chemistry ; Curcumin ; Organic chemistry Porphyrin and Phthalocyanine Chemistry ; Nonlinear Optical Materials Research ; Free Radicals and Antioxidants
Authors: Sudeshna Saha | Hirakendu Basu | Niharendu Choudhury | Mehzabin Vivek Pimple
Source: Journal of Radioanalytical and Nuclear Chemistry (article, 2024-11-08)
Field: Chemistry — Inorganic Chemistry

Theoretical and experimental study on efficient thorium removal from aquatic environment using phosphate-modified graphene oxide polymeric beads Abstract Thorium is an element of immense importance in nuclear industry due to lower environmental impact compared to fossil fuels and conventional nuclear power. In the present study, highly selective adsorption of Th 4+ on phosphate modified graphene oxide polymeric beads was investigated. The interaction of –PO 4 , –OH and –O– functional groups of graphene oxide with thorium ion was thoroughly investigated using Density Functional Theory. The adsorption induced density difference was utilized to investigate the bonding characteristics. The affinity of the Th 4+ ions was obtained as –PO 4 &gt; –OH &gt; –O– group of the phosphate modified graphene oxide. Phosphate modified Graphene oxide embedded in Calcium alginate matrix was characterized using ATR-FTIR, XRD, SEM and Raman spectroscopy. Highly efficient (&gt; 93%) uptake of thorium at pH 5 with fast rate of sorption (&lt; 5 min) was observed in the batch sorption studies. Graphene ; Oxide ; Phosphate ; Thorium ; Nuclear chemistry ; Chemistry ; Radiochemistry ; Chemical engineering ; Materials science ; Nanotechnology ; Metallurgy ; Organic chemistry ; Uranium Radioactive element chemistry and processing ; Nuclear materials and radiation effects ; Chemical Synthesis and Characterization
Authors: A. A. Burluka | Andrew Paul Manning
Source: Catalysis Science & Technology (article, 2024-12-05)
Field: Materials Science — Materials Chemistry

Chemical kinetic mechanism for selective catalytic reduction of nitrogen oxides A generic chemical kinetic mechanism for NO reduction by NH 3 is developed exploiting similarities between different catalysts. This scheme comprises 28 reactions involving 16 species where the catalytically active site may be in 7 different states. Catalysis ; Kinetics ; Selective catalytic reduction ; Chemistry ; Redox ; Ammonia ; Mechanism (biology) ; Reaction rate constant ; Chemical kinetics ; Nitric oxide ; Reaction mechanism ; Reduction (mathematics) ; Inorganic chemistry ; Organic chemistry Catalytic Processes in Materials Science ; Ammonia Synthesis and Nitrogen Reduction ; Electrocatalysts for Energy Conversion
Authors: Kate Stokes | Yiwei Sun | Haowei Zhang | Paolo Passaretti | Henry White | Pola Goldberg Oppenheimer
Source: Carbon Trends (article, 2024-03-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Thermonanomechanics of graphene oxide-M13 bacteriophage nanocomposites -towards graphene-based nanodevices The self-assembly of graphene oxide (GO) and M13 bacteriophage results in the formation of micro-porous structures, known as GraPhage13 aerogels (GPA). Given the limited applications of aerogels in industry due to their nanomechanical properties, along with the previously observed temperature-dependent characteristics in graphene-based nanocomposites, a thorough exploration of the thermosensitive nanomechanical properties of GPA is essential. Herein, a comprehensive characterisation of the morphology, composition, and spectroscopic analysis of the GPA for a range of temperatures has been conducted and correlated with its nanomechanical properties. Elevated temperatures have been found to lead to gradual removal of oxygen-containing functional groups (OCFGs) from GPA, resulting in increased structural defects and reduced stiffness. Notably, unique nanomechanical behaviours of GPA have been further identified, where the thermal expansion of sp3 bonds exceeds that of a crystalline sp3 structure, while the thermal contraction of sp2 bonds in GPA is found to be between graphite and GO. This underscores the impact of GO functionalisation on the thermal expansion behaviour of GPA. The obtained insights enhance the overall comprehension of the temperature annealing impact on GPA and highlight the tunability of its nanomechanical properties, showcasing a broad potential of this novel nanocomposite across a diverse range of applications. Graphene ; Materials science ; Oxide ; Nanocomposite ; Thermal expansion ; Nanotechnology ; Graphite oxide ; Negative thermal expansion ; Atmospheric temperature range ; Composite material Supercapacitor Materials and Fabrication ; Graphene research and applications ; Aerogels and thermal insulation
Authors: Nathan Arndt | Eitan Hershkovitz | Labdhi Shah | K. Kjærnes | Chao‐Yao Yang | Purnima P. Balakrishnan | Mohammed S. Shariff | Shaun Tauro | Daniel B. Gopman | B. J. Kirby | Alexander J. Grutter | Thomas Tybell | Honggyu Kim | Ryan F. Need
Source: Materials (article, 2024-03-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Reduction-Induced Magnetic Behavior in LaFeO3−δ Thin Films The effect of oxygen reduction on the magnetic properties of LaFeO<sub>3-δ</sub> (LFO) thin films was studied to better understand the viability of LFO as a candidate for magnetoionic memory. Differences in the amount of oxygen lost by LFO and its magnetic behavior were observed in nominally identical LFO films grown on substrates prepared using different common methods. In an LFO film grown on <i>as-received</i> SrTiO<sub>3</sub> (STO) substrate, the original perovskite film structure was preserved following reduction, and remnant magnetization was only seen at low temperatures. In a LFO film grown on <i>annealed</i> STO, the LFO lost significantly more oxygen and the microstructure decomposed into La- and Fe-rich regions with remnant magnetization that persisted up to room temperature. These results demonstrate an ability to access multiple, distinct magnetic states via oxygen reduction in the same starting material and suggest LFO may be a suitable materials platform for nonvolatile multistate memory. Oxygen ; Materials science ; Magnetization ; Microstructure ; Substrate (aquarium) ; Thin film ; Perovskite (structure) ; Reduction (mathematics) ; Composite material ; Nanotechnology ; Magnetic field ; Chemistry ; Crystallography ; Physics ; Biology Magnetic and transport properties of perovskites and related materials ; Multiferroics and related materials ; Electronic and Structural Properties of Oxides