jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Bolatbek Khussain | A.S. Sass | Alexandr Brodskiy | Kenzhegul Rakhmetova | Ivan Torlopov | Magira Zhylkybek | Tolkyn S. Baizhumanova | С.А. Тунгатарова | Atabek Khussain | M. Zh. Zhurinov | Abzal Kenessary | Ranida Tyulebayeva | Alexandr Logvinenko | Yernar Narimanov
Source: Preprints.org (preprint, 2024-06-07)
Field: Materials Science — Materials Chemistry

Patterns of Formation of Binary Cobalt-Magnesia Oxide Combustion Catalysts of Various Composition In order to establish the formation patterns of the Co&amp;ndash;Mg oxide system, samples with different Co:Mg ratios and heat treatment temperatures were synthesized and studied. Study of the sam-ples confirmed the phase transition of MgxCo2&amp;ndash;xO4 spinels into corresponding solid solutions at 800&amp;ndash;900 &amp;deg;C. The similarity of formation patterns for different compositions is shown. The rock-salt oxide in low-temperature samples is an anion-modified paracrystalline phase that forms a &amp;ldquo;true&amp;rdquo; solid solution only upon spinel decomposition. TPR profiles of decomposed Co3O4 spinel show surface Co3O4 peaks and a wide peak corresponding to well-crystallized CoO, while par-tial Co3O4 TPR up to 380 &amp;deg;C results in dispersed and amorphous CoO. High-temperature non-stoichiometric samples are poorly reduced, indicating their low oxygen reactivity. Spinel reoxidation after heat treatment to 1100 &amp;deg;C by calcination at 750 &amp;deg;C showed complete regenera-tion for MgCo2O4&amp;ndash;Co3O4 samples and its absence in case of an excess of MgO relative to stoi-chiometry. Based on the data obtained, it can be concluded that the processes governing the formation of Co&amp;ndash;Mg oxide systems are determined by both Co:Mg ratio and the heat treatment conditions, potentially providing the possibility of fine tuning for specific catalytic processes. Spinel ; Calcination ; Oxide ; Stoichiometry ; Cobalt ; Catalysis ; Phase (matter) ; Inorganic chemistry ; Materials science ; Cobalt oxide ; Decomposition ; Solid solution ; Chemical engineering ; Chemistry ; Physical chemistry ; Metallurgy ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Pigment Synthesis and Properties
Authors: М. Р. Аглиуллин | Д. В. Серебренников | Б. И. Кутепов
Source: Materials (article, 2024-03-16)
Field: Chemistry — Inorganic Chemistry

Changing Template/Al2O3 Ratio in Reaction Gel—An Effective Way to Regulate Nature of Intermediate Phases and Properties of SAPO-11 Molecular Sieves during Crystallization A study has been conducted to investigate the formation of intermediate phases during the crystallization of SAPO-11 molecular sieves from reaction mixtures with a varying template (di-n-propylamine) DPA/Al<sub>2</sub>O<sub>3</sub> ratio. It was found that changing the DPA/Al<sub>2</sub>O<sub>3</sub> ratio from 1.0 to 1.8 in the initial reaction gels leads to the formation of different intermediate phases during crystallization into a SAPO-11 molecular sieve. It is shown that at the ratio template/Al<sub>2</sub>O<sub>3</sub> = 1.0, an intermediate amorphous silicoaluminophosphate is formed; at 1.4, a mixture consisting of amorphous and layered phases forms; and at 1.8, a layered phase is present. A simple and innovative approach for controlling the morphology, size, and characteristics of primary crystals and the secondary porous structure in hierarchical SAPO-11 is proposed. The method is based on regulating the DPA/Al<sub>2</sub>O<sub>3</sub> ratio in the reaction gel. The synthesized SAPO-11 molecular sieves with a hierarchical porous structure exhibited high selectivity in the hydroisomerization of n-hexadecane. Molecular sieve ; Crystallization ; Materials science ; Amorphous solid ; Chemical engineering ; Porosity ; Selectivity ; Phase (matter) ; Morphology (biology) ; Catalysis ; Crystallography ; Chemistry ; Organic chemistry ; Composite material Zeolite Catalysis and Synthesis ; Chemical Synthesis and Characterization ; Polyoxometalates: Synthesis and Applications
Authors: Urminder Kaur | Shippy Jaiswal | Marie Cordier≈ | Boniface P. T. Fokwa | Sundargopal Ghosh
Source: Organometallics (article, 2024-02-24)
Field: Chemistry — Organic Chemistry

Bridging Bis(boryl) and Borylene Species Stabilized in the Coordination Sphere of Ruthenium Metals Synthetic routes for the synthesis of doubly bridging bis(boryl) and triply bridging borylene species of ruthenium have been established. The room-temperature reaction of [Cp*RuCl2]2 with LiBH4·THF followed by the addition of [S2CPPh3] led to the formation of a diruthenium bridging bis(boryl) complex, [(Cp*Ru)2(μ-HBS(C═S)S-κ2B:κ2S)(μ-HBSCH2S-κ2B:κ2S)] (1) consisting of two unsymmetrical boryl ligands. In parallel to 1, this reaction also yielded a Cp*-based ruthenium dithioformate half-sandwich complex, [Cp*Ru(PPh3){η3-SC(H)S}] (2) depicting four-legged piano stool geometry. Interestingly, when the reaction of [Cp*RuCl2]2 was carried out with NaBH4, it led to the formation of a triruthenium cluster [(Cp*Ru)3(μ-H)5(μ3-BH)2] (3) having a triply bridging borylene moiety. Cluster 3 comprises two triply bridging {BH} units axially bound to both sides of the triangular Ru3 plane giving rise to a trigonal bipyramidal Ru3B2 core. Theoretical calculations were implemented on these bridging bis(boryl) and borylene species to understand their bonding scenarios. Ruthenium ; Chemistry ; Moiety ; Coordination sphere ; Bridging (networking) ; Stereochemistry ; Crystallography ; Crystal structure ; Catalysis ; Organic chemistry Organometallic Complex Synthesis and Catalysis ; Organoboron and organosilicon chemistry ; Asymmetric Hydrogenation and Catalysis
Authors: John O’Donoghue | Natalia García Doménech | Damien C. Tully | Niamh McGoldrick | Fiona McArdle | Mary Coerver- Connolly | David J. Otway | William Daly | Lynette Keeney | Mervyn Horgan
Source: Journal of Chemical Education (article, 2024-11-01)
Field: Chemistry — Physical and Theoretical Chemistry

Do You Want to Make a Battery? Insights from the Development and Evaluation of a Chemistry Public Engagement Activity Chemistry is often associated with formal learning environments and has been described as overly serious by the general public, lacking some of the fun and energy of other sciences. However, it is difficult to provide hands-on chemistry activities outside the lab and other formal learning environments. Here, a simple electrochemistry based activity has been used for public engagement using household items and play dough to create a fun and playful experience for all ages. The benefits afforded by outdoor learning for developing curiosity and interest in science has also been explored through different event formats. The use of a "Smiley Stand" with "emojis" for gathering participant feedback was successfully deployed alongside interviews with the "Ambassadors" who facilitated the activity. Overall, it was found that the activity encouraged two-way conversations between the participants and the ambassadors, with few negative responses and many positive ones received. The activity also impacted the ambassadors' own view of science. Chemistry ; Public engagement ; Science education ; Engineering ethics ; Nanotechnology ; Engineering physics ; Mathematics education ; Engineering ; Psychology ; Political science ; Public relations ; Materials science Various Chemistry Research Topics ; Chemistry and Chemical Engineering ; Electrochemical sensors and biosensors
Authors: Adam D. Bass | Daniela Castellanos | Xavier A. Calicdan | Dennis Cao
Source: Beilstein Journal of Organic Chemistry (article, 2024-07-25)
Field: Chemistry — Organic Chemistry

Synthesis and characterization of 1,2,3,4-naphthalene and anthracene diimides We report the synthesis and characterization of naphthalene and anthracene scaffolds end-capped by cyclic imides. The solid-state structures of the <i>N</i>-phenyl derivatives, determined by X-ray crystallography, reveal changes in packing preference based on the number of aromatic rings in the core. The optical and electronic properties of the title compounds compare favorably with other previously described isomers and expand the toolbox of electron-deficient aromatic compounds available to organic materials chemists. Chemistry ; Anthracene ; Naphthalene ; Characterization (materials science) ; Aromaticity ; Combinatorial chemistry ; Organic chemistry ; Nanotechnology ; Molecule Synthesis and Properties of Aromatic Compounds ; Organic Electronics and Photovoltaics ; Molecular Junctions and Nanostructures
Authors: Xingyu Liu | Wei Cai | Anne‐Sophie Chauvin | Beat Fierz | Jérôme Waser
Source: ChemRxiv (preprint, 2024-11-20)
Field: Chemistry — Organic Chemistry

Peptide-Carbazolyl Cyanobenzene Conjugates: Enabling Biomolecule Functionalization via Photoredox and Energy Transfer Catalysis Since their discovery in 2012, carbazolyl (iso)phthalonitrile derivatives (Cz(I)PN) have found significant applications in organic light emitting diodes (OLEDs) and as photocatalysts in organic chemistry. Herein, we introduce two efficient methods for incorporating carbazolyl cyanobenzenes into various peptide sequences. The first method involves a photomediated decarboxylative functionalization of the C-terminus of peptides, leading to the formation of various carbazolyl benzonitrile (CzBN) derivatives. The second method exploits a cysteine-selective SNAr reaction on a fluorinated arene precursor, resulting in novel peptide-3CzIPN (Triscarbazolyl-isophthalonitrile) conjugates. Both types of conjugates maintain delayed fluorescence properties, exhibit similar or wider redox potential, and possess higher excited state energy when compared to currently used cyanoarenes. We demonstrated the photocatalytic activity of these conjugates first through a photo-mediated peptide C-terminal decarboxylative alkynylation. Then, water-soluble peptide conjugates were used to catalyze a thiol-ene reaction on cysteine in aqueous media. Finally, we achieved protein labeling via aryl azide excitation both in vitro and at the cellular level using peptide-CzIPN conjugates. By incorporating a peptide ligand of the protein integrin αvβ3, proximity-labeling next to this target was realized by aryl azide excitation in living cells, showing an excellent overlap with antibody-based imaging. These findings reveal the potential of cyanoarene-peptide conjugates for proximity-driven photochemistry in complex biological systems. Chemistry ; Peptide ; Combinatorial chemistry ; Azide ; Surface modification ; Photochemistry ; Biomolecule ; Conjugate ; Conjugated system ; Cysteine ; Click chemistry ; Bioconjugation ; Photoredox catalysis ; Benzonitrile ; Organic chemistry ; Photocatalysis ; Catalysis ; Polymer ; Biochemistry Click Chemistry and Applications ; Chemical Synthesis and Analysis ; Photochromic and Fluorescence Chemistry
Authors: Xia Zhou | Zitong Song | Rajamani Krishna | Lixiaoxiao Shi | Kangli Zhang | Dongmei Wang
Source: ACS Applied Materials & Interfaces (article, 2024-07-30)
Field: Chemistry — Inorganic Chemistry

Three Polyhedron-Based Metal–Organic Frameworks Exhibiting Excellent Acetylene Selective Adsorption The separation of acetylene (C<sub>2</sub>H<sub>2</sub>) from ethylene (C<sub>2</sub>H<sub>4</sub>) and ethane (C<sub>2</sub>H<sub>6</sub>) is crucial for the production of high-purity C<sub>2</sub>H<sub>2</sub> and the recovery of other gases. Polyhedron-based metal-organic frameworks (PMOFs) are characterized by their spacious cavities, which facilitate gas trapping, and cage windows with varying sizes that enable gas screening. In this study, we carefully selected a class of PMOFs based on V-type tetracarboxylic acid linker (<b>JLU-Liu22</b> containing benzene ring, <b>JLU-Liu46</b> containing urea group and recombinant reconstructed <b>In/Cu CBDA</b> on the basis of <b>JLU-Liu46</b>) to study the relationship between pore environment and C<sub>2</sub> adsorption and separation performance. Among the three compounds, <b>JLU-Liu46</b> exhibits superior selectivity toward C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> (2.06) as well as C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>6</sub> (2.43). Comparative structural analysis reveals that the exceptional adsorbed-C<sub>2</sub>H<sub>2</sub> performance of <b>JLU-Liu46</b> can be attributed to the synergistic effects arising from coordinatively unsaturated Cu sites combined with an optimal pore environment (matched pore size and polarity, urea functional group), resulting in a strong affinity between the framework and C<sub>2</sub>H<sub>2</sub> molecules. Furthermore, transient breakthrough simulations of <b>JLU-Liu46</b> confirmed its potential for separating C<sub>2</sub>H<sub>2</sub> in ternary C<sub>2</sub> gas. Acetylene ; Materials science ; Ethylene ; Adsorption ; Ternary operation ; Selectivity ; Linker ; Molecule ; Ring (chemistry) ; Chemical engineering ; Organic chemistry ; Chemistry ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Boron and Carbon Nanomaterials Research
Authors: Joonhyuck Park | Hee‐Sun Han
Source: ACS Nano (article, 2024-06-06)
Field: Materials Science — Materials Chemistry

Organoborane Se and Te Precursors for Controlled Modulation of Reactivity in Nanomaterial Synthesis To exploit the distinctive optoelectrical properties of nanomaterials, precise control over the size, morphology, and interface structure is essential. Achieving a controlled synthesis demands precursors with tailored reactivity and optimal reaction temperatures. Here, we introduce organoborane-based selenium and tellurium precursors borabicyclononane-selenol (BBN-SeH) and tellurol (BBN-TeH). The reactivity of these precursors can be modified by commercially available additives, covering a wide range of intermediate reactivity and filling significant reactivity gaps in existing options. By allowing systematic adjustment of growth conditions, they achieve the controlled growth of quantum dots of various sizes and materials. Operating <i>via</i> a surface-assisted conversion mechanism, these precursors rely on surface coordination for activation and undergo quantitative deposition on coordinating surfaces. These properties allow precise control over the radial distribution and density of different chalcogenide atoms within the nanoparticles. Diborabicyclononanyl selane ((BBN)<sub>2</sub>Se), an intermediate from the BBN-SeH synthesis, can also serve as a selenium precursor. While BBN-SeH suppresses nucleation, (BBN)<sub>2</sub>Se exhibits efficient nucleation under specific conditions. By leveraging these distinct activation behaviors, we achieved a controlled synthesis of thermally stable nanoplates with different thicknesses. This study not only bridges critical reactivity gaps but also provides a systematic methodology for precise nanomaterial synthesis. Reactivity (psychology) ; Nucleation ; Nanomaterials ; Chalcogenide ; Materials science ; Selenium ; Nanotechnology ; Tellurium ; Nanoparticle ; Chemistry ; Organic chemistry Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films ; Perovskite Materials and Applications
Authors: Miha Virant | Petar Štrbac | Anna Krawczuk | Valentina Milašinović | Petra Stanić | Matic Lozinšek | Krešimir Molčanov
Source: Crystal Growth & Design (article, 2024-07-22)
Field: Chemistry — Physical and Theoretical Chemistry

Charge Density Study of Two-Electron Four-Center Bonding in a Dimer of Tetracyanoethylene Radical Anions as a Benchmark for Two-Electron Multicenter Bonding The dimer of the tetracyanoethylene (TCNE) radical anions represents the simplest and the best studied case of two-electron multicenter covalent bonding (2e/mc or <i>pancake bonding</i>). The model compound, <i>N</i>-methylpyridinium salt of TCNE<sup>•-</sup>, is diamagnetic, meaning that the electrons in two contiguous radicals are paired and occupy a HOMO orbital which spans two TCNE<sup>•-</sup> radicals. Charge density in this system is studied as a benchmark for comparison of charge densities in other pancake-bonded radical systems. Two electrons from two contiguous radicals indeed form a bonding electron pair, which is distributed between two central ethylene groups in the dimer, i.e., between four carbon atoms. The topology of electron density reveals two bond critical points between the central ethylene groups in the dimer, with maximum electron density of 0.185 e Å<sup>-3</sup>; the corresponding theoretical value is 0.118 e Å<sup>-3</sup>. Tetracyanoethylene ; Chemistry ; Dimer ; Covalent bond ; Electron ; Charge (physics) ; Center (category theory) ; Crystallography ; Electron density ; Photochemistry ; Organic chemistry ; Physics Photochemistry and Electron Transfer Studies ; Luminescence and Fluorescent Materials ; Organic and Molecular Conductors Research
Authors: М. Г. Кучеренко
Source: Eurasian Physical Technical Journal (article, 2024-09-30)
Field: Chemistry — Physical and Theoretical Chemistry

CONFORMATIONAL STRUCTURE OF POLYAMPHOLYTES AND POLYELECTROLYTES ON THE SURFACE OF A LONGITUDINALLY POLARIZED GOLD SPHEROCYLINDER Conformational changes in generally neutral polyampholytic, as well as uniformly charged macrochains, polypeptides adsorbed on the surface of a longitudinally polarized gold spherocylinder—a cylindrical nanorod with spherical ends—were studied. An analytical model of the equilibrium structure of adsorbed macrochains on the surface of a polarized spherocylinder is presented, highlighting the entropy and field factors of the radial-angular distribution of link density. In the course of molecular dynamics simulation, the radial distributions of the density of polypeptide atoms in the central cylindrical part of the nanorod, as well as on its terminal hemispheres, were calculated. In addition, the distributions of the linear density of polypeptide atoms along the axis of the nanorod were calculated. A dumbbell-shaped polyampholyte edge was formed on the surface of the polarized nanorod, dense in the extended central cylindrical part and loose at the ends of the nanorod. There was also a shift of the macromolecular edge from the units of a uniformly charged polypeptide to the oppositely charged end of the nanorod, onwhich this polyelectrolyte edge swelled. Polyelectrolyte ; Surface (topology) ; Materials science ; Polymer ; Composite material ; Geometry ; Mathematics Electrostatics and Colloid Interactions ; Diatoms and Algae Research
Authors: M. Sathish | V. Sathana | A. Venkatesan | Savarimuthu David Amalraj | Anand Gaspar | M. Maria Julie | Jayabalan Jayaprakash
Source: Asian Journal of Chemistry (article, 2024-01-31)
Field: Chemistry — Organic Chemistry

Sustainable Industrial Wastewater Treatment and Antibacterial Activity using Environmental Friendly Ferrite Nanoparticles A comparison studies of two unique bimetallic spinel ferrite nanoparticles synthesized by the sol-gel process, namely Co-NiFe2O4 andCu-ZnFe2O4 were investigated. Various characterization approaches were utilized to examine the structural, morphological, magnetic and electrical characteristics of the nanoparticles. Both Co-NiFe2O4 and Cu-ZnFe2O4 nanoparticles formed single-phase spinel structures, according to X-ray diffraction (XRD) research whereas FTIR spectra provided information about the vibrational modes and chemical bonding within the nanoparticles confirmed the presence of desired metal-oxygen bonds chemical bonding within the nanoparticles. The UV-Vis spectroscopy revealed the optical absorption properties of the nanoparticles indicating the presence of energy bandgaps in the visible range. Scanning electron microscopy (SEM) images suggested the uniform and well-dispersed nanoparticles with average sizes in the nanoscale range. Vibrating sample magnetometry (VSM) measurements demonstrated that both Co-NiFe2O4 and Cu-ZnFe2O4 nanoparticles exhibited ferromagnetic behaviour at room temperature. The saturation magnetization values were found to be higher for Co-NiFe2O4 nanoparticles compared to Cu-ZnFe2O4 nanoparticles, suggesting the superior magnetic properties of the former. As a result, ferrites demonstrate promise in industrial wastewater treatment, facilitating efficient heavy metal removal and advanced organic pollutant degradation, contributing to a sustainable and effective solution. The antibacterial efficacy of synthesized bimetallic ferrite nanoparticles against Salmonell typhi, Escherichia coli, Staphyloccus aureus, Bacillus cereus proves that the synthesized ferrite nanoparticles possess a good antibacterial activity against the selected pathogens. Chemistry ; Environmentally friendly ; Industrial wastewater treatment ; Wastewater ; Antibacterial activity ; Sewage treatment ; Nanoparticle ; Pulp and paper industry ; Waste management ; Nanotechnology ; Bacteria ; Ecology Nanomaterials for catalytic reactions
Authors: Gábor Piszter | Krisztián Kertész | Gergely Nagy | Dávid Kovács | Dániel Zámbó | Zsófia Baji | József S. Pap | László Péter Biró
Source: Journal of Materials Science (article, 2024-05-30)
Field: Materials Science — Materials Chemistry

Photocatalytic bioheteronanostructures by integrating multicomponent Cu2O–Au nanoparticles into ZnO-coated butterfly wings colored by photonic nanoarchitectures Abstract Complex biological photocatalytic heteronanostructures were produced by the integration of different multicomponent Au–Cu 2 O nanoparticles (NPs) into the blue-colored photonic nanoarchitectures occurring in the wings of male Polyommatus icarus butterflies. Both bare wings and wings conformally coated by 15-nm ZnO by atomic layer deposition were used as substrates. The NPs were characterized by UV–visible spectroscopy, focus stacking optical microscopy, and electron microscopy. After the deposition of the different NPs, the photocatalytic performance of the samples under visible light illumination was tested by the photodegradation of methyl orange in aqueous solution monitored continuously by an immersion probe. It was found that the components of the biological hetero-nanoarchitecture: ZnO-coated wings and wings without ZnO with deposited NPs exhibited poor catalytic performance. But the combined system: ZnO-coated wings with NPs deposited onto them exhibited sixfold to eightfold increase in their catalytic performance. This increase is attributed to the extension of the ZnO absorption into the visible range and to the formation of the heterojunction between the n-type ZnO and the p-type Cu 2 O NPs which resulted in the charge transfer of the photogenerated carriers. As the samples exhibited good stability under the continuous magnetic stirring, they can be used in flow-through systems suitable for wastewater remediation. The biological templates for the hetero-nanoarchitectures were produced by the controlled breeding of herbivorous insects, which does not raise any environmental concerns. Materials science ; Photocatalysis ; Methyl orange ; Photodegradation ; Visible spectrum ; Nanoparticle ; Chemical engineering ; Scanning electron microscope ; Nanotechnology ; Aqueous solution ; Chemical bath deposition ; Catalysis ; Thin film ; Optoelectronics ; Composite material ; Organic chemistry ; Chemistry Copper-based nanomaterials and applications ; Laser-Ablation Synthesis of Nanoparticles ; TiO2 Photocatalysis and Solar Cells