jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Eman M. Ismael | Hassan Salman | Ahmed M. Abo‐Bakr | A. A. Ebnalwaled
Source: Zenodo (CERN European Organization for Nuclear Research) (article, 2023-10-10)
Field: Materials Science — Materials Chemistry

On the Relation between the used Organic Sulphur Salts and the Properties of Cadmium Sulphide Nanocrystals In this study, we synthesized three distinct<br> CdS nanocrystals through a straightforward chemical<br> method employing different organic sulphur salts,<br> namely thiocarbonhydrizide, thiocarbonic acid<br> dipotassium salt, and thiocarbonyl bis-thioglycolic acid.<br> The synthesized nanocrystals underwent comprehensive<br> characterization utilizing various analytical techniques,<br> including transmission electron microscopy, FT-IR<br> spectroscopy, H1-NMR spectroscopy, Mass Spectra<br> analysis, X-ray diffraction, and UV-vis<br> spectrophotometry.<br> We identified crucial characteristics, including<br> production efficiency, elemental makeup, lattice<br> dimensions, crystallite dimensions, microstructural<br> distortions, light transmittance, light absorption, and<br> energy band gap, for each of the synthesized CdS<br> nanocrystals. Our findings revealed crystal sizes of 22.56<br> nm, 12.70 nm, and 4.65 nm, as well as energy band gaps<br> of 4.87 eV, 3.22 eV, and 5.03 eV for the CdS (I), CdS (II),<br> and CdS (III) samples, respectively. Cadmium ; Sulfur ; Nanocrystal ; Relation (database) ; Chemistry ; Environmental chemistry ; Inorganic chemistry ; Materials science ; Nanotechnology ; Organic chemistry ; Computer science ; Data mining Thermal and Kinetic Analysis ; Chalcogenide Semiconductor Thin Films ; Solid-state spectroscopy and crystallography
Authors: M. Rogert |  Y. Bretonnière |  Y. Trolez |  A. Vacher | Imane Arbouch | Jérôme Cornil |  G. Félix | Julien De Winter | S. Richeter |  S. Clément |  Ph. Gerbier
Source: ORBi UMONS (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Synthesis and Characterization of Tetraphenylethene AIEgen-Based Push-Pull Chromophores for Photothermal Applications: Do the Cycloaddtion – Retroelectrocyclization Click Reaction Could Make any Molecule Photothermically Active ? peer reviewed Chromophore ; Click chemistry ; Characterization (materials science) ; Molecule ; Photothermal therapy Photochromic and Fluorescence Chemistry ; Luminescence and Fluorescent Materials ; Polydiacetylene-based materials and applications
Authors: Saba Khan | Alina Bi Shaikh | Mahnaz Sayyed | Muskan Shaikh
Source: Indian Journal of Pharmacy and Pharmacology (article, 2023-10-15)
Field: Materials Science — Biomaterials

Novel trend: Magic bullet to nanomedicine as targeted drug delivery-nanosponges Effective medication delivery at a specific location has made it possible to carry out the intended task of controlling release rates and have better compliance with the healthcare system, but the chemistry's complex form has complicated things. However, the development of nanosponges has provided a key solution to this issue. Nanosponges are extremely tiny sponges that are roughly the size of a virus and can contain a range of medications. These sponges can move throughout the body until they interact with a particular target spot, attach to the surface, and begin to release drugs under regulated circumstances. Some cyclodextrin-based nanosponges have been proposed as nano-delivery systems, and they produce porous, insoluble nanoparticles with crystalline and amorphous natures. The solubility of these sponges in liquids is a crucial property. Magic bullet ; Nanotechnology ; Nanomedicine ; Drug delivery ; Drug ; Chemistry ; Materials science ; Nanoparticle ; Pharmacology ; Medicine ; Bioinformatics ; Biology Nanoparticle-Based Drug Delivery ; Advanced Drug Delivery Systems ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Emanuele Pompei | Ylea Vlamidis | Letizia Ferbel | Valentina Zannier | S. Rubini | Daniel Arenas Esteban | Sara Bals | C. Marinelli | Georg Pfusterschmied | Markus Leitgeb | U. Schmid | Stefan Heun | Stefano Veronesi
Source: arXiv (Cornell University) (preprint, 2023-10-25)
Field: Materials Science — Materials Chemistry

Metal Nanoparticle-Functionalized Three-Dimensional Graphene: a versatile platform towards sensors and energy-related applications We demonstrate the first successful functionalization of epitaxial three-dimensional graphene with metal nanoparticles. The functionalization is obtained by immersing the 3D graphene in a nanoparticle colloidal solution. This method is versatile and here is demonstrated for gold and palladium, but can be extended to other types and shapes of nanoparticles. We have measured the nanoparticle density on the top-surface and in the porous layer volume by Scanning Electron Microscopy and Scanning Transmission Electron Microscopy. Samples exhibit a high coverage of nanoparticles with minimal clustering. High quality graphene has been demonstrated to promote the functionalization leading to higher nanoparticle density, both on the surface and in the pores. X-ray Photoelectron Spectroscopy allowed to verify the absence of contamination after the functionalization process. Moreover, it confirmed the thermal stability of the Au- and Pd-functionalized three-dimensional graphene up to 530°C. Our approach opens up new avenues for utilizing three-dimensional graphene as a versatile platform for catalytic applications, sensors, and energy storage and conversion. Surface modification ; Graphene ; Materials science ; Nanoparticle ; Nanotechnology ; Colloidal gold ; Scanning electron microscope ; X-ray photoelectron spectroscopy ; Chemical engineering ; Composite material Graphene research and applications ; Advancements in Battery Materials ; Nanomaterials for catalytic reactions
Authors: Erhong Hao | Zhongyuan Li | Fang Liu | Heng Li | Xing Guo | Qinghua Wu | Lijuan Jiao
Source: Research Square (preprint, 2023-10-11)
Field: Chemistry — Organic Chemistry

Rational Design of Chiral Single-Benzene-Based Fluorophores via Enantioselective Twofold C−H Activation: Solid-State and Circular Polarization Luminescence, and Cellular Imaging Application Enantioselective synthesis ; Luminescence ; Polarization (electrochemistry) ; Benzene ; Solid-state ; Circular polarization ; Rational design ; Materials science ; Photochemistry ; Nanotechnology ; Optoelectronics ; Chemistry ; Optics ; Physical chemistry ; Catalysis ; Organic chemistry ; Physics Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials ; Catalytic C–H Functionalization Methods
Authors: B. Babu | B. Mohanbabu | Senthil Kumar Nagarajan | M. Raja | M. Balaji
Source: NanoNEXT (article, 2023-12-01)
Field: Chemistry — Organic Chemistry

A Review on Green Synthesis of Magnetic Nanoparticles: Unlocking Catalytic Potential for Environmental Sustainability Eco-friendly nanomaterials have garnered a lot of attention recently because of their long-term benefits across a range of industrial domains. Traditional techniques for creating nanoparticles frequently require a lot of energy and hazardous chemicals, both of which pollute the environment. The primary objective of this work is on recent developments in the environmentally friendly synthesis of magnetic nanoparticles, particularly those made of iron oxide (FeO), copper oxide (CuO), and nickel oxide (NiO). By utilizing natural resources including plant extracts, microorganisms, and agricultural waste, green synthesis provides an alternate technique. This technique enhances the nanoparticles' catalytic activity while simultaneously promoting environmental safety. Their significance in sustainable technologies is emphasized in this review, particularly in applications like as pollution control, redox processes, and carbon dioxide reduction. The synthesis methods, catalytic efficiency and environmental relevance of these green-synthesized nanoparticles are discussed. Such approaches support sustainable nanotechnology. The knowledge about green synthesis methods is vital for producing efficient and safer nanomaterials. As industries shift towards eco-conscious production, these materials may find wide application in future technologies. Sustainability ; Magnetic nanoparticles ; Nanoparticle ; Catalysis ; Business ; Nanotechnology ; Environmental science ; Environmental chemistry ; Materials science ; Chemistry ; Ecology ; Organic chemistry ; Biology Nanomaterials for catalytic reactions ; Nanoparticles: synthesis and applications ; Chemistry and Chemical Engineering
Authors: Sami Sultan Alabsi | Mohd Haris Md Khir | John Ojur Dennis | Saeed S. Ba Hashwan | Abdullah Saleh Algamili
Source: International Journal of Technology (article, 2023-01-16)
Field: Materials Science — Materials Chemistry

Optoelectronic Characterization and Properties of Single-walled Carbon Nanotubes in a Liquid Dispersion Form Carbon nanotubes (CNTs) are very promising nanodevices due to their extraordinary electrical, thermal, and optical properties. However, as-grown single-walled CNTs (SWCNTs) contain a mixture of semiconducting and metallic species with great featur Carbon nanotube ; Characterization (materials science) ; Materials science ; Dispersion (optics) ; Nanotechnology ; Optoelectronics ; Chemical engineering ; Optics ; Physics Carbon Nanotubes in Composites ; Nanowire Synthesis and Applications ; Molecular Junctions and Nanostructures
Authors: Eleonora Marconi | Luca Tortora
Source:  (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Synthesis of titania nanoparticles in W/O microemulsion: moving the production toward a green approach In this work, we report an easy, fast, reproducible, and low-temperature microemulsion procedure for the large-scale production of titania nanoparticles (NPs).The synthesis involves a polycondensation reaction of alkoxide precursors during the heating at 70 C.A W/O microemulsion with a volume ratio of 1:1 was obtained using cetylpyridinium bromide (CPB) as a cationic surfactant.Structural and functional characterization of the samples was conducted using X-Ray Diffraction (XRD) and Scanning Electron Microscopy (SEM).The photoactivity of the nanostructured titania was evaluated by measuring the photodegradation of Methylene blue (MB).The results indicate that the photoactivity depends on the sinterization grade of the titania nanoparticles.Commercial titania nanoparticles (P25) were used as a reference material commonly employed for coating stone protection in the field of Cultural Heritage Conservation. Microemulsion ; Nanoparticle ; Materials science ; Production (economics) ; Chemical engineering ; Nanotechnology ; Process engineering ; Engineering ; Pulmonary surfactant Catalytic Processes in Materials Science
Authors: Doyel Das
Source: International Journal of Chemical Studies (article, 2023-11-01)
Field: Materials Science — Materials Chemistry

The architecture of silver nanoparticles: A systematic short review of chemical methodologies and the evolution toward green synthesis The synthesis of silver nanoparticles (AgNPs) has emerged as a cornerstone of nanotechnology, driven by their unique Localized Surface Plasmon Resonance (LSPR) properties and potent antimicrobial efficacy. This review provides a comprehensive analysis of the transition from traditional bottom-up chemical reduction methods to advanced, shape-controlled, and sustainable synthetic protocols. The article investigates the fundamental mechanisms of nucleation and growth, comparing the effects of strong reducing agents such as sodium borohydride with the kinetic control provided by the polyol process and Tollens' reagent. Specialized techniques including micro-emulsion Sodium borohydride ; Surface plasmon resonance ; Polyol ; Reducing agent ; Green chemistry ; Silver nanoparticle ; Chemical reduction Nanoparticles: synthesis and applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Nanomaterials for catalytic reactions
Authors: You‐Jie Yu | Joel Häfliger | Zixuan Wang | Constantin G. Daniliuc | Ryan Gilmour
Source: Angewandte Chemie (article, 2023-08-02)
Field: Chemistry — Organic Chemistry

Forging Medium Rings via I(I)/I(III)‐Catalyzed Diene Carbofunctionalization Abstract A main‐group catalysis‐based strategy to access 8‐membered carbocycles via the direct carbofunctionalization of 2‐phenethyl‐substituted 1,3‐dienes is disclosed. Through the intervention of an I(I)/I(III) catalysis cycle, the synthesis of densely functionalized, fluorinated benzocyclooctenes can be achieved in an operationally simple manner. Modulating the oxidation/activation regime, and the external nucleophile, the process has been extended to unify the challenging cyclization with formation of allylic C−O, C−N, and C−C bonds (&gt;30 examples). Derivatization of the product benzocyclooctenes is demonstrated together with X‐ray conformational analysis, preliminary validation of enantioselective catalysis and a scalable resolution protocol. Nucleophile ; Enantioselective synthesis ; Catalysis ; Chemistry ; Allylic rearrangement ; Derivatization ; Combinatorial chemistry ; Diene ; Catalytic cycle ; Nucleophilic addition ; Stereochemistry ; Organic chemistry Oxidative Organic Chemistry Reactions ; Catalytic C–H Functionalization Methods ; Asymmetric Synthesis and Catalysis
Authors: Wanhe Jiang | Georg H. Mehl
Source: Crystals (article, 2023-11-21)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Design and Investigation of a Side-Chain Liquid Crystalline Polysiloxane with a Ntb-Phase-Forming Side Chain A new mesogenic non-symmetric dimeric monomer with a terminal olefin function, forming a twist bend nematic (Ntb) as well as a nematic (N) phase, was synthesized, using an enhanced synthetic methodology, which avoids isomerization of the terminal double bond in the preparation of the dimer. This monomer was attached to a pentamethyldisiloxane group, resulting in the SmA LC phase behavior of the ensuing material. Linking the monomer to a siloxane main chain resulted in nematic phase behavior. Detailed studies with the Ntb phase forming dimer DTC5C7 show full miscibility of the dimer and the new LC polymer in the LC state, suggesting that the side-chain LC polymer forms a Ntb phase as the low-temperature nematic phase. Copolymerizing the monomer with a cyanobiphenyl-based monomer allows us to tune the glass transition and phase behavior further. Monomer ; Mesogen ; Liquid crystal ; Side chain ; Phase (matter) ; Dimer ; Materials science ; Polymer ; Polymer chemistry ; Miscibility ; Siloxane ; Oligomer ; Crystallography ; Organic chemistry ; Chemistry ; Liquid crystalline ; Composite material Liquid Crystal Research Advancements ; Advanced Materials and Mechanics ; Photonic Crystals and Applications
Authors: Şeyda SOMAKLI | Sultan Bütün Şengel
Source: Ömer Halisdemir Üniversitesi Mühendislik Bilimleri Dergisi (article, 2023-06-13)
Field: Chemistry — Spectroscopy

Synthesis and modification of hydro(solvo) thermal-supported silica aerogels and their use in adsorption studies The hydro(solvo)thermal synthesis method was used to successfully synthesize bare silica aerogels and nano- and microparticle-embedded silica aerogels containing SiO2 and carbon microparticles in this study. New groups were added to these structures through modification. In the study, first, the effect of the variables was systematically examined to determine the optimum conditions. The most suitable recipe for silica aerogel was created. SiO2 and CP particles were synthesized, and modified silica aerogels were prepared with these particles and agents containing amine. For the characterization of synthesized silica aerogel, particles (SiO2, CP) and particle-embedded silica aerogels, TGA, SEM, DLS and BET-BJH techniques were used. These structures were used as adsorbent in environmental applications such as removing organic pollutants like 4-nitro phenol, methylene blue, Victoria blue, bromophenol blue etc. from aqueous media. In this environmental application, the adsorption capacity (mg/g) was determined by using UV-vis spectroscopy. The prepared structures are good adsorbents, and the adsorption capacity can be increased 18-fold with modification. Aerogel ; Adsorption ; Materials science ; Chemical engineering ; Methylene blue ; Surface modification ; Organic chemistry ; Chemistry ; Nanotechnology ; Photocatalysis ; Catalysis Aerogels and thermal insulation ; Mesoporous Materials and Catalysis ; Surface Modification and Superhydrophobicity
Authors: Deepak J. Prabhu | Ujjayinee Ray | Anjaly Rajeev | Reshma Joy | T. G. Abi | Jinu George | Sathees C. Raghavan | Franklin John
Source: ACS Omega (article, 2023-10-05)
Field: Chemistry — Organic Chemistry

Design and Synthesis of Ketenimine Sulfonamide Conjugates through Multicomponent Reactions; A Combined Cytotoxic Analysis and Computational Exploration Multicomponent reactions involving zwitterion generated from dimethyl acetylenedicarboxylate, aryl sulfonamide, and isocyanide to generate sulfonamide-conjugated ketenimines is reported. The synthetic strategy adopted is highly atom economical and stereoselective. Ketenimine sulfonamide analogues are key intermediates for further synthetic conversions to generate a combinatorial library of compounds. Furthermore, sulfonamide compounds are known to possess a broad spectrum of biological applications. All the novel molecules synthesized exhibit the potential to target the nonhomologous DNA end-joining (NHEJ) pathway with cytotoxic ability. Computational studies compliment the in vitro biological assays of the 8 small-molecule inhibitors. DNA double-strand breaks (DSBs) are considered as the most lethal among different DNA damages. NHEJ repairs about 70% of the DSBs generated in cells within mammals. The DNA-dependent protein kinase catalytic subunit is one of the PI3 kinases associated with NHEJ. Compounds DK01-DK08 were investigated for their ability to induce cancer cell death by treating with two leukemic cell lines where NHEJ is high. Results showed that bromoaryl (DK04)- and nitroaryl (DK05)-conjugated molecules showed excellent biological activity, having IC<sub>50</sub> values of ∼2 μM in Nalm6 cell lines. Ketenimine ; Sulfonamide ; Chemistry ; Conjugated system ; Combinatorial chemistry ; DNA ; Stereochemistry ; Biochemistry ; Organic chemistry Click Chemistry and Applications ; Synthesis and Biological Evaluation ; Quinazolinone synthesis and applications
Authors: Giada Moroni | Elena Bombonato | Samuele Bonafè | Alessandro Di Michele | Sara Presenti | Sara Guarienti | Massimo Marcaccio | Roccaldo Sardella | Paolo Ronchi | Antimo Gioiello
Source: ChemRxiv (preprint, 2023-10-17)
Field: Chemistry — Organic Chemistry

Investigating the catalytic efficiency of supported NHC-Ag(I) com-plexes in Borono-Minisci reaction N-heterocyclic carbenes (NHCs) have been utilized as ligands of metal complexes to catalyze C–C, C–H, C–O, and C–N bond formation reactions. Herein, we present the development of novel supported NHC-Ag(I) complexes as catalysts for Borono-Minisci reactions. Kinetic and cyclic voltammetric studies have evidenced how the structure of both the ligand and complex influence the Ag(I)/Ag(II) redox potential and the reaction efficiency providing a complementary tactic to homo-geneous approaches. Catalysis ; Redox ; Ligand (biochemistry) ; Chemistry ; Metal ; Medicinal chemistry ; Stereochemistry ; Organic chemistry ; Receptor ; Biochemistry Catalytic Cross-Coupling Reactions ; Catalytic C–H Functionalization Methods ; Organoboron and organosilicon chemistry
Authors: Kristaps Saršu̅ns | Artis Kons | Toms Rekis | Agris Be̅rziņš
Source: ChemRxiv (preprint, 2023-05-02)
Field: Materials Science — Materials Chemistry

Experimental and Computational Study of Solid Solutions Formed between Substituted Nitrobenzoic Acids We present an experimental and computational study of solid solution formation in binary systems formed by substituted nitrobenzoic acids by considering different isomers and methyl group, hydroxyl group and chlorine as the substituents. We show that the solid solution formation likelihood evaluated based on the observed solubility limit is notably affected both by the exchanged functional groups and the location of the substituents in the molecular structure. This demonstrate that the extent up to which a structure can accommodate the other molecule strongly depends on the intermolecular interactions present in the crystal structure and altered by the molecule replacement. Solid solutions form in all the tested crystal structures, and replacement ability was characterized by solubility from below 5% up to 50%. The obtained results indicated that the calculated intermolecular interaction energy change by the functional group replacement does not allow to rationalize the experimentally observed solubilities neither considering the molecules adjacent to the replace group nor all the molecules within 15 Å radius. The relative energy of the experimental structures and isostructural phases obtained from the computationally generated structure landscapes calculated at the level providing accurate energy ranking was found to be mostly consistent with the experimentally observed solubilities. Isostructural ; Intermolecular force ; Molecule ; Solubility ; Chemistry ; Crystal structure ; Crystal structure prediction ; Computational chemistry ; Group (periodic table) ; Crystallography ; Interaction energy ; Thermodynamics ; Physical chemistry ; Organic chemistry ; Physics Crystallization and Solubility Studies ; Surfactants and Colloidal Systems ; Chemical and Physical Properties in Aqueous Solutions
Authors: Rhys J. Bunting | Nuala M. Caffrey
Source: The Journal of Chemical Physics (article, 2023-10-09)
Field: Materials Science — Materials Chemistry

The effects of polymorphism and lithium intercalation on the hydrogen evolution reaction for the basal planes of MoS2 The activity of Li-intercalated MoS2 phases for the hydrogen evolution reaction is investigated using density functional theory. The most stable semiconducting 2H phase, the metallic 1T' phase, and a polymorphous surface composed of alternating H and T' phases (1T″) are investigated. The local structure of the MoS2 surface is found to define its reactivity. In all cases, active sites for the hydrogen evolution process are restricted to T-like sulphur sites. Li-intercalation is found to promote hydrogen evolution reaction reactivity for the H phase whilst having little effect on the T phase. While improved compared to the non-intercalated phase, the Li-intercalated H phase MoS2 still has minimal activity for the hydrogen evolution reaction. The same effect of intercalation is also found for another transition metal dichalcogenide, MoSe2. The ability to improve reactivity in this way makes ion intercalation a promising space for designing new 2D catalysts for the hydrogen evolution reaction. Intercalation (chemistry) ; Reactivity (psychology) ; Hydrogen ; Chemistry ; Lithium (medication) ; Catalysis ; Metal ; Inorganic chemistry ; Phase (matter) ; Reaction mechanism ; Crystallography ; Materials science ; Organic chemistry 2D Materials and Applications ; MXene and MAX Phase Materials ; Electrocatalysts for Energy Conversion