jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Taemin Kim | Ye Ji Kim | Anna Wuttig
Source: Current Opinion in Electrochemistry (article, 2024-07-11)
Field: Chemistry — Organic Chemistry

Interfacial science for electrosynthesis Electrosynthesis ; Electrochemistry ; Electrode ; Selectivity ; Chemistry ; Nanotechnology ; Electrophile ; Reactivity (psychology) ; Redox ; Combinatorial chemistry ; Catalysis ; Materials science ; Inorganic chemistry ; Organic chemistry ; Physical chemistry Radical Photochemical Reactions ; CO2 Reduction Techniques and Catalysts ; Sulfur-Based Synthesis Techniques
Authors: Ayhan Altun
Source: Hacettepe Journal of Biology and Chemistry (article, 2024-12-21)
Field: Chemistry — Spectroscopy

Schiff Base-Nickel(II) Complex: A robust luminescent probe for the detection of 2,4,6-trinitrophenol in an aqueous medium This study delved into the fluorescence properties of a Ni(II) Schiff base complex towards nitroaromatic compounds, such as dinitrobenzene (DNB), 2,4,6-trinitrotoluene (TNT), 2,4-dinitrotoluene (DNT), 2-nitrophenol (2-NP), 4-nitrophenol (4-NP), 2,4-dinitrophenol (DNP), and 1,3,5-trinitrophenol (TNP),. Remarkably, the compound exhibited exceptional sensitivity in detecting TNP, with a notable Ksv value of 40.5 × 103 M-1 . LOD value of the targeted compound was found to be 0.134 μM, encompassing a linear working range of 2.50–50.00 μM.. Furthermore, the synthesized Ni(II) complex proved effective in the fluorescence quenching-based detection of TNP in water solutions, demonstrating both high selectivity and sensitivity. Through fluorescence titrations (Job's plot), the stoichiometry between the compound and TNP was found to be 2/1 (complex/TNP). This finding underlines the potential utility of the complex as a promising tool in environmental monitoring or related fields where the detection of TNP is crucial. Schiff base ; Fluorescence ; Titration ; Chemistry ; Stoichiometry ; Aqueous solution ; Detection limit ; Nickel ; Quenching (fluorescence) ; Selectivity ; Trinitrotoluene ; Photochemistry ; Inorganic chemistry ; Stereochemistry ; Organic chemistry ; Chromatography ; Catalysis Molecular Sensors and Ion Detection ; Luminescence and Fluorescent Materials ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Harshada Mhetre | Vikas Kaduskar | Prashant Chougule | Yogesh Chendake | Nithesh Naik | Pavan Hiremath | Ritesh Bhat
Source:  (article, 2024-01-18)
Field: Materials Science — Biomaterials

Binder Molecular Weight, Concentration, and Flow Rate Optimization for ZnO Nanofiber Synthesis for Electronic Device Applications This study explores the critical factors influencing the properties of zinc oxide nanofibers, which are crucial for their applications in optoelectronics, solar cells, and biomedicine. We specifically investigate the impact of binder molecular weight, binder concentration, and solution flow rate on fiber shape, spinning ability, and diameter. By electrospinning zinc acetate, polyvinylpyrrolidone, and dimethylformamide solutions, we demonstrate that the composition, rheological characteristics, and processing parameters significantly affect nanofiber characteristics. We achieved optimized fiber diameters ranging from 24 to 62 nanometers through meticulous parameter modification. Further analysis via FESEM, XRD, and EDS confirms the suitability of these nanofibers for electronic applications, highlighting their potential contributions to the mentioned fields. Nanofiber ; Electrospinning ; Materials science ; Spinning ; Polyvinylpyrrolidone ; Zinc ; Volumetric flow rate ; Chemical engineering ; Nanotechnology ; Fiber ; Polymer ; Composite material ; Polymer chemistry Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials ; ZnO doping and properties
Authors: Bakr F. Abdel-Wahab | Hanan A. Mohamed | Ehab M. Zayed | Benson M. Kariuki | Gamal A. El‐Hiti
Source: ARKIVOC (article, 2024-07-09)
Field: Chemistry — Organic Chemistry

Variation of the bromination site on the reaction of (E)-1-[5-methyl-1-(aryl)-1H-1,2,3-triazol-4-yl]-3-arylprop-2-en-1-ones with N-bromosuccinimide The variation of the bromination site of three chalcones, 1a–c, using N-bromosuccinimide under acidic &#13;conditions was investigated. Bromination of 1a at the aliphatic carbon-carbon double bond gave the αmethoxy bromide derivative 2 in 95% yield. Bromination of 1b and 1c under similar conditions produced the &#13;corresponding methoxy bromide derivatives 3 and 4 in 89 and 88% yields, respectively. The bromination of 1b&#13;took place at the aliphatic carbon-carbon double bond, and the aryl ring attached to the 1,2,3-triazole moiety &#13;at the ortho-position next to the methoxy group. In the presence of two methoxy groups on the aryl rings on &#13;the two sides of chalcone 1c, bromination took place on the aryl ring at the ortho-position next to the &#13;methoxy group and the aliphatic carbon-carbon double bond. Halogenation ; Chemistry ; Aryl ; Double bond ; Moiety ; Medicinal chemistry ; Bromide ; Bromine ; N-Bromosuccinimide ; Chalcone ; Ring (chemistry) ; Yield (engineering) ; Organic chemistry ; Alkyl Synthesis and Biological Evaluation ; Synthesis and biological activity ; Synthesis and Characterization of Heterocyclic Compounds
Authors: Jon Pascual-Colino | Garikoitz Beobide | Óscar Castillo | Javier Cepeda | Mónica Lanchas | Antonio Luque | Sonia Pérez‐Yáñez
Source: Gels (article, 2024-11-29)
Field: Materials Science — Materials Chemistry

Zirconium–Polycarboxylato Gel Systems as Substrates to Develop Advanced Fluorescence Sensing Devices This study presents the development of zirconium polycarboxylate gel systems as substrates for advanced fluorescence sensing devices. Zirconium-based metal-organic gels (MOGs) offer a promising alternative due to the robustness of the Zr-O bond, which provides enhanced chemical stability. In this work, zirconium polycarboxylate gels were synthesized using green solvents in a rapid room temperature method. Fluorescein, naphthalene-2,6-dicarboxylic acid, and 4,4',4″,4‴-(porphine-5,10,15,20-tetrayl)tetrakisbenzoic acid were incorporated as fluorophores to give the gel luminescent properties, enabling it to be used as a sensor. These fluorophores produce specific changes in the perceived color and intensity of the fluorescence emission upon interaction with different analytes in a solution, allowing a qualitative identification of different solvents and compounds. However, the fragile structure of neat gels hinders reproducible quantitative analysis of fluorescence emission. Therefore, to increase their mechanical stability during manipulation, a composite material was developed by combining the MOGs with quartz microcrystals, which proved to be a more reliable fluorescent system. The results show that the material can identify univocally different solvents and analytes in aqueous solutions by the quantitative analysis of the emission intensities. This work presents an innovative approach to create advanced fluorescence sensors with improved mechanical properties and stability using zirconium polycarboxylate gels and multiple fluorophores. Zirconium ; Fluorescence ; Analyte ; Materials science ; Aqueous solution ; Luminescence ; Chemical stability ; Chemical engineering ; Nanotechnology ; Chemistry ; Chromatography ; Organic chemistry Luminescence and Fluorescent Materials ; Gas Sensing Nanomaterials and Sensors ; Covalent Organic Framework Applications
Authors: Peter Šimon | Bálint Lőrinczi | István Szatmári
Source: International Journal of Molecular Sciences (review, 2024-06-26)
Field: Chemistry — Organic Chemistry

Alkoxyalkylation of Electron-Rich Aromatic Compounds Alkoxyalkylation and hydroxyalkylation methods utilizing oxo-compound derivatives such as aldehydes, acetals or acetylenes and various alcohols or water are widely used tools in preparative organic chemistry to synthesize bioactive compounds, biosensors, supramolecular compounds and petrochemicals. The syntheses of such molecules of broad relevance are facilitated by acid, base or heterogenous catalysis. However, degradation of the <i>N</i>-analogous Mannich bases are reported to yield alkoxyalkyl derivatives via the <i>retro</i>-Mannich reaction. The mutual derivative of all mentioned species are quinone methides, which are reported to form under both alkoxy- and aminoalkylative conditions and via the degradation of the Mannich-products. The aim of this review is to summarize the alkoxyalkylation (most commonly alkoxymethylation) of electron-rich arenes sorted by the methods of alkoxyalkylation (direct or via <i>retro</i>-Mannich reaction) and the substrate arenes, such as phenolic and derived carbocycles, heterocycles and the widely examined indole derivatives. Chemistry Synthesis of Indole Derivatives ; Free Radicals and Antioxidants ; Radical Photochemical Reactions
Authors: Ziyu Cui | Masamu Kawada | Yue Hui | Seunghyun Sim
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2024-07-19)
Field: Materials Science — Biomaterials

Programming aliphatic polyester degradation by engineered bacterial spores Enzymatic degradation of plastics is a sustainable approach to addressing the growing issue of plastic accumulation. The primary challenges for using enzymes as catalysts are issues with their stability and recyclability, further exacerbated by their costly production and delicate structures. Here, we demonstrate an approach that leverages engineered spores that display target enzymes in high density on their surface to catalyze aliphatic polyester degradation and create self-degradable materials. Engineered spores display recombinant enzymes on their surface, eliminating the need for costly purification processes. The intrinsic physical and biological characteristics of spores enable easy separation from the reaction mixture, repeated reuse, and renewal. Engineered spores displaying lipases completely degrade aliphatic polyesters and retain activity through four cycles, with full activity recovered through germination and sporulation. Directly incorporating spores into polyesters results in robust materials that are completely degradable. Our study offers a straightforward and sustainable biocatalytic approach to plastic degradation. Degradation (telecommunications) ; Polyester ; Spore ; Chemistry ; Genetically engineered ; Chemical engineering ; Computer science ; Organic chemistry ; Microbiology ; Engineering ; Biology ; Biochemistry biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Additive Manufacturing and 3D Printing Technologies
Authors: Long Leonel | Pablo Arnal
Source: ChemRxiv (preprint, 2024-01-31)
Field: Chemistry — Organic Chemistry

Supporting Oxides on Charcoal via Wet Impregnation for Nitrate Removal from Water This work investigates the synthesis of M-oxides (M = aluminum, iron, magnesium, zinc) supported on charcoal by wet impregnation and using these materials in removing nitrate from water. On the one hand, it studies the incorporation of the solid and the modification that the carbonaceous support undergoes, and on the other hand, it investigates the performance of the material produced in the synthesis compared to charcoal acting as a control group. In the first part, the incorporation of the solid material was characterized structurally (SEM, Hg porosimetry) and compositionally (XRD, elemental analysis), and the modification of the carbonaceous support was characterized by the yield and the amount of solid incorporated in the synthesis product (TGA). The results show that the synthesis by wet impregnation produces a composite material formed by a porous matrix of carbon-containing solid in an amount, with a distribution and precursor-dependent crystallinity. The synthesis also results in the loss of a significant amount of carbonaceous support, which varies from precursor to precursor. The results also show that only the material with zinc oxide outperforms the material with no added solid in removing nitrate from water. Finally, this work´s results show that wet impregnation allows obtaining materials that improve the ability to remove nitrate from water. However, they show that the carbonaceous support undergoes a significant change whose influence on nitrate removal remains unknown. Charcoal ; Nitrate ; Environmental chemistry ; Environmental science ; Chemistry ; Pulp and paper industry ; Engineering ; Organic chemistry Nanomaterials for catalytic reactions
Authors: Junwei Zhang | Kecheng Zhang | Kui Wang | Bo Wang | Siyan Zhu | Hongping Qian | Yumiao Ma | Mengling Zhang | Tianyan Liu | Chen Peng | Y. R. Shen | Yunzhe Fu | Shilin Fang | Xinxin Zhang | Peng Zou | Wulan Deng | Mu Huo Yu | Zhixing Chen
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2024-12-22)
Field: Chemistry — Organic Chemistry

A Palette of Bridged Bicycle-Strengthened Fluorophores Abstract Organic fluorophores are the keystone of advanced biological imaging. The vast chemical space of fluorophores has been extensively explored in seek of molecules with ideal properties. However, within the current molecular constraints, there appears to be a trade-off between high brightness, robust photostability, and tunable biochemical properties. Herein we report a general strategy to systematically boost the performance of donor-acceptor-type fluorophores by leveraging SO 2 and O-substituted azabicyclo[3.2.1] octane auxochromes. These bicyclic heterocycles give rise to a collection of ‘Bridged’ dyes (BD) spanning the UV and visible range with top-notch quantum efficiencies, enhanced water solubility, and tunable cell-permeability. Notably, these azabicyclic fluorophores showed remarkable photostability than its tetramethyl or azatidine analogue, at the same time completely resistant to oxidative photobluing rendered by the Bredt’s rule. Functionalized BD dyes are tailored for applications in single-molecule imaging, super-resolution imaging (STED and SIM) in fixed or live mammalian cells and plant cells, and live zebrafish imaging or chemigenetic voltage imaging. Synergizing with advanced imaging methods, the bridge bicycle dyes represent a versatile palette for biological researches. Biological imaging ; Nanotechnology ; Chemistry ; Palette (painting) ; Molecule ; Materials science ; Photochemistry ; Fluorescence ; Computer science ; Organic chemistry ; Physics ; Optics Click Chemistry and Applications ; Advanced Fluorescence Microscopy Techniques ; Luminescence and Fluorescent Materials
Authors: Elina Suut-Tuule | Tatsiana Jarg | Priit Tikker | Ketren-Marlein Lootus | Jevgenija Martõnova | Rauno Reitalu | Lukáš Ustrnul | Jas S. Ward | Vitālijs Rjabovs | Kirill Shubin | Jagadeesh Varma Nallaparaju | Marko Vendelin | Sergei Preis | Mario Öeren | Kari Rissanen | Dzmitry G. Kananovich | Riina Aav
Source: Cell Reports Physical Science (article, 2024-08-20)
Field: Chemistry — Organic Chemistry

Mechanochemically driven covalent self-assembly of a chiral mono-biotinylated hemicucurbit[8]uril Publisher of over 50 scientific journals across the life, physical, earth, and health sciences, both independently and in partnership with scientific societies including Cell, Neuron, Immunity, Current Biology, AJHG, and the Trends Journals. Covalent bond ; Biotinylation ; Self-assembly ; Supramolecular chemistry ; Nanotechnology ; Chemistry ; Materials science ; Combinatorial chemistry ; Crystallography ; Organic chemistry ; Biochemistry ; Crystal structure Supramolecular Chemistry and Complexes ; Crystallography and molecular interactions ; Molecular Sensors and Ion Detection
Authors: Yilin Chen | Sisi Tian | Yan Wang | Siqi Lu | Zheng Xu | Guanwu Yin | Ke‐Fang Yang | Li‐Wen Xu
Source: European Journal of Organic Chemistry (article, 2024-08-20)
Field: Materials Science — Materials Chemistry

Functionalized Phosphorus‐Doped Porous Organic Polymers (FPPOPs) ‐Promoted Pd‐Catalyzed Arylation of Hydrosilanes Abstract The development of novel catalyst systems, especially as highly efficient heterogeneous catalysts for Si−C bond ‐forming arylation reaction of hydrosilanes is highly desirable. Herein, we developed a simple and eco‐friendly methodology for construction of functionalized phosphorus‐doped porous organic polymers (FPPOPs) and its heterogeneous palladium catalyst through anchoring on FPPOPs bearing a phosphine ligand, in which the fabrication of FPPOPs was completed through the vinyl‐substituted triphenylphosphine (ViPPh 3 ) and vinyl‐substituted polyhedral oligomeric silsequioxane (ViPOSS) as well as functional olefins via radical co‐polymerization. All these FPPOPs could act as a phosphine ligand for Pd‐catalyzed arylation of hydrosilanes have been characterized by SEM, FTIR, and X‐RAD. Moreover, the POSS‐based functionalized phosphorus‐doped porous organic polymers (POSS‐PPOPs) proved to be a high efficiency catalyst system for Si−C bond ‐forming arylation of hydrosilanes with aryl iodides and with good yields as well as excellent chemoselectivity with low amount of catalyst under mild conditions. The mechanistic studies supported the effect of functional group on the catalytic activity of Pd/FPPOPs catalyst, which revealed that the weak coordination as well as non‐covalent interaction between porous organic polymers and substrate played important role in the enhancement of chemoselectivity. Chemistry ; Catalysis ; Polymer ; Phosphorus ; Doping ; Porosity ; Palladium ; Polymer chemistry ; Organic polymer ; Organic chemistry Covalent Organic Framework Applications ; Chemical Synthesis and Reactions ; Catalytic Cross-Coupling Reactions
Authors: Barbara Vörös-Horváth | Ala’ Salem | Barna Kovács | Aleksandar Széchenyi | Szilárd Pál
Source: Preprints.org (preprint, 2024-09-02)
Field: Materials Science — Materials Chemistry

Systematic Study of Reaction Conditions for Size Controlled Synthesis of Silica Nanoparticles This study presents a reproducible and scalable method for synthesizing silica nanoparticles (SNPs) with controlled sizes below 200 nm, achieved by systematically varying three key reaction parameters: ammonium hydroxide concentration, water concentration, and temperature. SNPs with high monodispersity and controlled dimensions were produced by optimizing these factors. The results indicated a direct correlation between ammonium hydroxide concentration and particle size, while higher temperatures resulted in smaller particles with increased polydispersity. Water concentration also influenced particle size, with a quadratic relationship observed. This method provides a robust approach for tailoring SNP sizes, with significant implications for biomedical applications, particularly in drug delivery and diagnostics. Using eco-friendly solvents such as ethanol further enhances the sustainability and cost-effectiveness of the process. Nanoparticle ; Nanotechnology ; Chemistry ; Chemical engineering ; Materials science ; Engineering Catalytic Processes in Materials Science ; Mesoporous Materials and Catalysis ; Zeolite Catalysis and Synthesis
Authors: Enikő Hornyák-Mester | Miklós Varga | Lilla Márta Sőrés-Tölli | Dóra Mentes | Alpár Ferencz Hatvani-Nagy | Peter Werner Groh | Béla Viskolcz | Gábor Muránszky | Béla Fiser
Source: eXPRESS Polymer Letters (article, 2024-01-01)
Field: Materials Science — Polymers and Plastics

Comparative analysis of thermal degradation effects on traditional and low-emission flexible polyurethane foams The degradation of different flexible polyurethane foams for molded application after thermal aging were compared.A reference sample using traditional higher emission additives and four samples of different composition using low-emission additives were compared.For the modified samples volatile organic compound (VOC) and semi-volatile organic compound (FOG/SVOC) contents fell well below the benchmarking limits, which indicates that the selected low-emission additives are incorporated into the polymer chain.To examine different material properties and for evaluating changes due to increased temperature exposure for a prolonged period of time mechanical and acoustic tests were carried out before and after dry heat aging.It was found that two low emission samples exhibited superior sound absorption compared to the reference sample along with less significant change after aging in the acoustic properties.The compressive strength was lower than the reference as a result of lower product densities.However, the change in compressive strength after aging was less than 15% (with one exception), which is acceptable according to the standard requirements.Thermogravimetric analysis was also performed and revealed that no significant difference can be observed between the examined samples due to heat degradation, indicating that the modifications made to reduce VOC content did not adversely affect the foam's resistance to thermal degradation. Polyurethane ; Materials science ; Degradation (telecommunications) ; Composite material ; Thermal ; Computer science Polymer composites and self-healing
Authors: Filippo Campagnolo | Eleonora Aneggi | Walter Baratta | Talha Munir | Daniele Zuccaccia
Source: Molecules (article, 2024-06-26)
Field: Chemistry — Organic Chemistry

Diffusion Nuclear Magnetic Resonance Measurements on Cationic Gold (I) Complexes in Catalytic Conditions: Counterion and Solvent Effects The amount of free ions, ion pairs, and higher aggregate of the possible species present in a solution during the gold(I)-catalyzed alkoxylation of unsaturated hydrocarbon, i.e., ISIP (inner sphere ion pair) [(NHC)AuX] and OSIP (outer sphere ion pairs) [(NHC)Au(TME)X] [NHC 1,3-bis(2,6-di-isopropylphenyl)-imidazol-2-ylidene; TME = tetramethylethylene (2,3-bis methyl-butene); X<sup>-</sup> = Cl<sup>-</sup>, BF<sub>4</sub><sup>-</sup>, OTf<sup>-</sup>; and OTs<sup>-</sup> BArF<sub>4</sub><sup>-</sup> (ArF = 3,5-(CF<sub>3</sub>)<sub>2</sub>C<sub>6</sub>H<sub>3</sub>)], has been determined. The <sup>1</sup>H and <sup>19</sup>F DOSY NMR measurements conducted in catalytic conditions indicate that the dissociation degree (α) of the equilibrium ion pair/free ions {[(NHC)Au(TME)X] [(NHC)Au(TME)]<sup>+</sup> + X<sup>-</sup>} depends on the nature of the counterion (X<sup>-</sup>) when chloroform is the catalytic solvent: while the compounds containing OTs<sup>-</sup> and OTf<sup>-</sup> as the counterion gave a low α (which means a high number of ion pairs) of 0.13 and 0.24, respectively, the compounds containing BF<sub>4</sub><sup>-</sup> and BArF<sub>4</sub><sup>-</sup> showed higher α values of 0.36 and 0.32, respectively. These results experimentally confirm previous deductions based on catalytic and theoretical data: the lower the α value, the greater the catalytic activity because the anion that can activate methanol during a nucleophilic attack, although the lower propensity to activate methanol of BF<sub>4</sub><sup>-</sup> and BArF<sub>4</sub><sup>-</sup>, as suggested by the DFT calculations, cannot be completely overlooked. As for the effect of the solvent, α increases as the dielectric constant increases, as expected, and in particular, green solvents with high dielectric constants show a very high α (0.90, 0.84, 0.80, and 0.70 for propylene carbonate, γ-valerolactone, acetone, and methanol, respectively), thus confirming that the moderately high activity of NHC-Au-OTf in these solvents is due to the specific effect of polar functionalities (O-H, C=O, O-R) in activating methanol. Finally, the DOSY measurements conducted in p-Cymene show the formation of quadrupole species: under these conditions, the anion can better exercise its 'template' and 'activating' roles, giving the highest TOF. Counterion ; Cationic polymerization ; Diffusion ; Catalysis ; Solvent ; Nuclear magnetic resonance ; Chemistry ; Inorganic chemistry ; Materials science ; Organic chemistry ; Ion ; Thermodynamics ; Physics Catalytic Alkyne Reactions ; Organometallic Complex Synthesis and Catalysis ; Asymmetric Hydrogenation and Catalysis