jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Din Zelikovich | Pavel Savchenko | Daniel Mandler
Source: ACS Applied Materials & Interfaces (article, 2023-06-26)
Field: Chemistry — Electrochemistry

High Recognition of Isomer-Stabilized Gold Nanoparticles through Matrix Imprinting The development of highly selective probes for nanoparticles is required due to their nanotoxicity. The latter strongly depends on the size, structure, and interfacial properties of the nanoparticles. Here, we demonstrate that a simple approach for the selective detection of Au nanoparticles that differ in their capping agent shows very high promise. Specifically, gold nanoparticles stabilized by each of the three different isomers of mercaptobenzoic acid (MBA) were imprinted in a soft matrix by adsorption of the nanoparticles, followed by filling the non-occupied areas through electropolyermization of an aryl diazonium salt (ADS). Nanocavities bearing the shape of the Au nanoparticles were formed upon the electrochemical dissolution of the nanoparticles, which were used for the reuptake of the Au nanoparticles stabilized by the different isomers. High reuptake selectivity was found where the originally imprinted nanoparticles were recognized better than the Au nanoparticles stabilized by other MBA isomers. Furthermore, an imprinted matrix by nanoparticles stabilized by 4-MBA could also recognize nanoparticles stabilized by 2-MBA, and vice versa. A detailed study using Raman spectroscopy and electrochemistry disclosed the organization of the capping isomers on the nanoparticles as well as the specific nanoparticle-matrix interactions that were responsible for the high reuptake selectivity observed. Specifically, the Raman band at ca. 910 cm<sup>-1</sup> for all AuNP-matrix systems implies the formation of a carboxylic acid dimer and thus the interaction of the ligands with the matrix. These results have implications for the selective and simple sensing of engineered nanoparticles. Nanoparticle ; Materials science ; Raman spectroscopy ; Colloidal gold ; Selectivity ; Nanotechnology ; Chemical engineering ; Organic chemistry ; Chemistry ; Catalysis Electrochemical Analysis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Analytical chemistry methods development
Authors: Corneliu S. Stan | Noumane Elouakassi | Cristina Albu | Conchi O. Ania | Adina Coroabǎ | Elena‐Laura Ursu | Marcel Popa | Hamid Kaddami | Abdemaji Almaggoussi
Source: Nanomaterials (article, 2023-12-27)
Field: Materials Science — Materials Chemistry

Photoluminescence of Argan-Waste-Derived Carbon Nanodots Embedded in Polymer Matrices In this work, photoluminescent (PL) carbon nano dots (CNDs) prepared from argan waste were embedded in highly optical transparent poly(styrene-co-acrylonitrile) (PSA) and cyclo-olefin copolymer (COC) matrices, which were further processed into thin films. In the first step, the luminescent CNDs were prepared through thermal processing of fine-groundargan waste, followed, in the second step, by direct dispersion in the polymer solutions, obtained by solving PSA and COC in selected solvents. These two polymer matrices were selected due to their high optical transparency, resilience to various environmental factors, and ability to be processed as quality thin films. The structural configuration of the CNDs was investigated through EDX, XPS, and FTIR, while DLS, HR-SEM, and STEM were used for their morphology investigation. The luminescence of the prepared CNDs and resulted polymer nanocomposites was thoroughly investigated through steady-state, absolute PLQY, and lifetime fluorescence. The quality of the resulted CND-polymer nanocomposite thin films was evaluated through AFM. The prepared highly luminescent thin films with a PL conversion efficiency of 30% are intended to be applied as outer photonic conversion layers on solar PV cells for increasing their conversion efficiency through valorization of the UV component of the solar radiation. Materials science ; Photoluminescence ; Luminescence ; Polymer ; Nanocomposite ; Chemical engineering ; Thin film ; Fourier transform infrared spectroscopy ; Nanotechnology ; Composite material ; Optoelectronics Carbon and Quantum Dots Applications ; Maternal Mental Health During Pregnancy and Postpartum ; Quantum Dots Synthesis And Properties
Authors: Anna N. Matveyeva | Shamil O. Omarov | М. А. Гаврилова | A. D. Trofimuk | Johan Wärnå | Dmitry Yu. Murzin
Source: Catalysis Science & Technology (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

CeO<sub>2</sub>-supported Ni and Co catalysts prepared by a solution combustion method for H<sub>2</sub>production from glycerol: the effect of fuel/oxidizer ratio and oxygen excess The impact of the fuel/oxidizer ratio, the fuel type and the oxygen excess in the synthesis of ceria supported Ni and Co catalysts on the physicochemical properties and activity in steam and aqueous-phase reforming of glycerol was studied. Catalysis ; Combustion ; Glycerol ; Oxygen ; Chemistry ; Aqueous solution ; Inorganic chemistry ; Chemical engineering ; Nuclear chemistry ; Waste management ; Organic chemistry Catalytic Processes in Materials Science ; Catalysts for Methane Reforming ; Catalysis and Hydrodesulfurization Studies
Authors: Maria Kourgiantaki | Georgia G. Bagkavou | Christos I. Stathakis | Alexandros L. Zografos
Source: Organic Chemistry Frontiers (article, 2023-01-01)
Field: Chemistry — Organic Chemistry

Selective preparative ‘oxidase phase’ in sesquiterpenoids: the radical approach Juggling between reactivity and selectivity, free radical oxidation offers a unique means to synthesize natural products in a direct and efficient way. The case study of sesquiterpenes is illustrative of how modern total synthesis should be conducted. Chemistry ; Reactivity (psychology) ; Selectivity ; Organic chemistry ; Combinatorial chemistry ; Radical ; Radical cyclization ; Catalysis Oxidative Organic Chemistry Reactions ; Catalytic C–H Functionalization Methods ; Bioactive Compounds and Antitumor Agents
Authors: Florent Ducrozet | Hugues A. Girard | Teodor Jianu | S. Peulon | Émilie Brun | Cécile Sicard‐Roselli | Jean‐Charles Arnault
Source: Colloids and Surfaces A Physicochemical and Engineering Aspects (article, 2023-02-05)
Field: Materials Science — Materials Chemistry

Unintentional formation of nitrate and nitrite ions during nanodiamonds sonication: A source of radical and electron scavengers Sonication ; Chemistry ; Nitrite ; Radical ; Colloid ; Radiolysis ; Suspension (topology) ; Aqueous solution ; Nitrate ; Ion ; Photochemistry ; Inorganic chemistry ; Chemical engineering ; Organic chemistry ; Chromatography Diamond and Carbon-based Materials Research ; Laser-Ablation Synthesis of Nanoparticles ; Electrohydrodynamics and Fluid Dynamics
Authors: Fang‐Yu Chou | Theresia Cecylia Ramli | Chin‐Yun Lee | Shu‐Man Hu | Jane Christy | Hsien‐Yeh Chen
Source: Organic Materials (article, 2023-04-19)
Field: Materials Science — Materials Chemistry

Vapor-Deposited Polymer Films and Structure: Methods and Applications Vapor deposition of polymers is known to result in densified thin films, and recent developments have advanced these polymers with interesting fabrication techniques to a variety of controlled structures other than thin films. With the advantages of chemical modification and functionalization of these polymers, advancements have combined both the physical and chemical properties of these vapor-deposited polymers to obtain controlled anisotropic polymers, including layer-by-layer, gradient, hierarchical, porosity, and the combination of the above, meaning that the produced polymers are functional and are addressed in devised physical configurations and chemical compositions. The main purpose of using polymer coatings as a tool for surface modification is to provide additional properties that decouple the natural properties of the underlying materials (including metals, polymers, oxides/ceramics, glass, silicon, etc.), and recent advancements have rendered novel insights into combined physical and chemical properties to fulfill the increasing needs of sophisticated requirements of materials for users. The review herein intends to deliver messages of recent progress of the advancements of vapor-deposited polymers, with discussions of the variations of the physical structures and chemical functionalities, and how these two aspects are integrated with novel fabrication techniques. The advanced vapor polymers now have the capability of controlled anisotropy in the physical structure and chemical composition and are expected to pave the way for interface engineering toward prospective material designs. Table of content: 1. Introduction 2. Fabrication and Materials 3. Controls of Anisotropy 4. Applications 5. Conclusions and Outlook Polymer ; Fabrication ; Materials science ; Nanotechnology ; Chemical vapor deposition ; Surface modification ; Thin film ; Layer (electronics) ; Porosity ; Chemical engineering ; Composite material Diamond and Carbon-based Materials Research ; Nanofabrication and Lithography Techniques ; Surface Modification and Superhydrophobicity
Authors: Yanmei Ren | Rongke Sun | Yu Xue | Ruoxi Wang | Wusheng Zhang | Xiaodong Zhu | Yanqing Ma | Lei Ma
Source: Materials Advances (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

A systematic study on synthesis parameters and thermoelectric properties of tellurium nanowire bundles The relationship between growth parameters and the structure of Te-NBs was systematically investigated. Both the internal growth mechanism of Te-NBs and the relationship between their structures and thermoelectric properties are illustrated. Tellurium ; Thermoelectric effect ; Nanowire ; Materials science ; Thermoelectric materials ; Mechanism (biology) ; Nanotechnology ; Metallurgy ; Thermodynamics ; Physics ; Quantum mechanics Advanced Thermoelectric Materials and Devices ; Chalcogenide Semiconductor Thin Films ; 2D Materials and Applications
Authors: Alexandra E. Kopotilova | Tatyana N. Moshkina | Emiliya V. Nosova | G. N. Lipunova | Еkaterina S. Starnovskaya | Dmitry S. Kopchuk | Grigory А. Кim | В. С. Гавико | Павел А. Слепухин | Valery N. Charushin
Source: Molecules (article, 2023-02-17)
Field: Chemistry — Organic Chemistry

3-Aryl-5-aminobiphenyl Substituted [1,2,4]triazolo[4,3-c]quinazolines: Synthesis and Photophysical Properties Amino-[1,1']-biphenyl-containing 3-aryl-[1,2,4]triazolo[4,3-<i>c</i>]quinazoline derivatives with fluorescent properties have been designed and synthesized. The type of annelation of the triazole ring to the pyrimidine one has been unambiguously confirmed by means of an X-ray diffraction (XRD) method; the molecules are non-planar, and the aryl substituents form the pincer-like conformation. The UV/Vis and photoluminescent properties of target compounds were investigated in two solvents of different polarities and in a solid state. The samples emit a broad range of wavelengths and display fluorescent quantum yields of up to 94% in toluene solutions. 5-(4'-Diphenylamino-[1,1']-biphenyl-4-yl)-3-(4-(trifluoromethyl)phenyl)-[1,2,4]triazolo[4,3-<i>c</i>]quinazoline exhibits the strongest emission in toluene and a solid state. Additionally, the solvatochromic properties were studied for the substituted [1,2,4]triazolo[4,3-<i>c</i>]quinazolines. Moreover, the changes in absorption and emission spectra have been demonstrated upon the addition of water to MeCN solutions, which confirms aggregate formation, and some samples were found to exhibit aggregation-induced emission enhancement. Further, the ability of triazoloquinazolines to detect trifluoroacetic acid has been analyzed; the presence of TFA induces changes in both absorption and emission spectra, and acidochromic behavvior was observed for some triazoloquinazoline compounds. Finally, electronic-structure calculations with the use of quantum-chemistry methods were performed for synthesized compounds. Chemistry ; Aryl ; Stereochemistry ; Organic chemistry Synthesis and Characterization of Heterocyclic Compounds ; Phenothiazines and Benzothiazines Synthesis and Activities ; Radical Photochemical Reactions
Authors: Juraj Nikolić | Ana Ivančić | Tin Klačić | Davor Kovačević
Source: ACS Omega (article, 2023-05-25)
Field: Materials Science — Surfaces, Coatings and Films

Synthetic versus Natural Precursor Layer: A Study on the Properties of Biocompatible Chitosan/Carboxymethyl Cellulose Nanofilms Polyelectrolyte multilayers are nanofilms with vast applications in numerous areas such as medicine and food industry. Recently, they have been getting a lot of attention as potential food coatings for the prevention of fruit decay during transportation and storage, and therefore the coatings need to be biocompatible. In this study, we fabricated thin films made of biocompatible polyelectrolytes, positively charged polysaccharide chitosan, and negatively charged carboxymethyl cellulose on a model silica surface. Typically, to enhance the properties of the prepared nanofilms, the first layer (precursor layer) of poly(ethyleneimine) is used. However, for the construction of completely biocompatible coatings, this could be problematic due to potential toxicity. This study offers an option for a viable candidate as a replacement precursor layer: chitosan itself was adsorbed from a more concentrated solution. In the case of chitosan/carboxymethyl cellulose films, using chitosan over poly(ethyleneimine) as a precursor layer has shown a twofold increase in film thickness, as well as an increase in film roughness. In addition, these properties can be tuned by the presence of a biocompatible background salt (e.g., sodium chloride) in the deposition solution that has proven to change the film thickness and surface roughness depending on the salt concentration. Such a straightforward way of tuning the properties of these films combined with their biocompatibility makes this precursor material a prime candidate for use as a potential food coating. Chitosan ; Polyelectrolyte ; Ethyleneimine ; Carboxymethyl cellulose ; Layer by layer ; Chemical engineering ; Materials science ; Biocompatibility ; Biocompatible material ; Coating ; Cellulose ; Layer (electronics) ; Adsorption ; Sodium ; Nanotechnology ; Polymer chemistry ; Composite material ; Organic chemistry ; Chemistry ; Polymer ; Biomedical engineering Polymer Surface Interaction Studies ; Nanocomposite Films for Food Packaging ; Electrospun Nanofibers in Biomedical Applications
Authors: Alexander M. Gilchrist | Xin Wu | Bryson A. Hawkins | David E. Hibbs | Philip A. Gale
Source: iScience (article, 2023-01-23)
Field: Chemistry — Spectroscopy

Fluorinated tetrapodal anion transporters Synthetic anion transporters show potential in treating life-threatening diseases like cystic fibrosis and cancer. However, with increasingly complex transporter architectures designed to control anion binding and transport, it is important to consider solubility and deliverability during transporter design. The fluorination of synthetic anion transporters has been shown to tune the transporter lipophilicity, transport rates, and binding strength. In this work, we expand on our previously reported tetrapodal (thio)urea transporters with a series of fluorinated tetrapodal anion transporters. The effects of fluorination on tuning the lipophilicity, solubility, deliverability, and anion transport selectivity of the tetrapodal scaffold were investigated using anion-binding and transport assays. The primary mode of anion transport was H<sup>+</sup>/X<sup>-</sup> cotransport, with the most fluorinated tetrathiourea (<b>8</b>) displaying the highest transport activity in the 8-hydroxypyrene-1,3,6-trisulfonic acid (HPTS) assay. Intriguingly, inversion of the transmembrane Cl<sup>-</sup> vs NO<sub>3</sub> <sup>-</sup> transport selectivity compared with previously reported tripodal (thio)urea transporters was observed under a modified HPTS assay. Chemistry ; Transporter ; Lipophilicity ; Cotransporter ; Selectivity ; Ion transporter ; Solubility ; Combinatorial chemistry ; Biophysics ; Biochemistry ; Organic chemistry ; Membrane ; Sodium Molecular Sensors and Ion Detection ; Amino Acid Enzymes and Metabolism ; Lanthanide and Transition Metal Complexes
Authors: Lu Turković | Natan Koraj | Zvonimir Mlinarić | Tajana Silovski | Slaven Crnković | Miranda Sertić
Source: Heliyon (article, 2023-08-01)
Field: Chemistry — Analytical Chemistry

Optimisation of dispersive liquid-liquid microextraction for plasma sample preparation in bioanalysis of CDK4/6 inhibitors in therapeutic combinations for breast cancer treatment Cyclin D dependent kinase 4 and 6 (CDK 4/6) inhibitors are novel anticancer drugs used in therapeutic combinations with endocrine therapy for breast cancer treatment. Their determination in patient plasma is of high interest as a prerequisite for possible therapeutic drug monitoring. Dispersive liquid-liquid microextraction (DLLME) shows great potential in bioanalytical sample preparation. Its simplicity and speed, along with the suitability for using small amounts of sample and hazardous solvents are some of its main advantages. However, its application on plasma samples is scarce and requires further development. The aim of this work was to explore the applicability of DLLME in the simultaneous extraction of six drugs of interest from human plasma, with an emphasis placed on achieving high extraction recoveries with low sample and solvent consumption. To tackle the low availability and amount of the plasma sample, as well as the complexity of the biological matrix, three novel DLLME modes are proposed: organic sample DLLME (OrS-DLLME), aqueous sample DLLME (AqS-DLLME), and a modified air-assisted DLLME (AA-DLLME). The extractant and disperser type and volume, volume ratios of all the components in the ternary system, effect of pH and salting out were optimised for all three proposed modes of DLLME. Optimised representative DLLME-HPLC-DAD-FLD method was validated and shown to be linear (R > 0.994), precise (RSD ≤13.8%, interday), accurate (bias -13.1-13.1%, interday) and robust (relative effect -3.34-6.08%). Simultaneous extraction of all six drugs with high recoveries (81.65-95.58%) was achieved. Sample volumes used were as low as 50-100 μL, with necessary organic solvent volumes in μL ranges. Greenness scores obtained using the AGREE software were between 0.63 and 0.66, demonstrating compliance with green analytical chemistry principles. Finally, the validated method was successfully applied on breast cancer patient plasma samples. Bioanalysis ; Disperser ; Liquid liquid ; Chromatography ; Chemistry ; Sample preparation ; Extraction (chemistry) ; Materials science Analytical chemistry methods development ; Biosensors and Analytical Detection
Authors: Nusaiba Zaman | Gabrielle Roberts | Johnathan von der Heyde | Abdelkader Kara
Source: Surface Science (article, 2023-04-01)
Field: Materials Science — Materials Chemistry

Small bimetallic clusters Agn-1M (M = Au, Co, Cu, Ni, Pd, Pt; n = 3, 9, 15): Density functional theory and genetic algorithm Bimetallic strip ; Nanoclusters ; Density functional theory ; Atom (system on chip) ; Materials science ; Electronic structure ; Metal ; Crystallography ; Physical chemistry ; Chemistry ; Computational chemistry ; Nanotechnology ; Metallurgy Nanocluster Synthesis and Applications ; nanoparticles nucleation surface interactions ; Advanced Chemical Physics Studies
Authors: Samuel Gary | Melinda Landry | Steven Bloom
Source: Synlett (article, 2023-05-22)
Field: Chemistry — Organic Chemistry

Spectral and Electrochemical Properties of Common Photocatalysts in Water: A Compendium for Aqueous Photoredox Catalysis Electrochemical potentials of photocatalysts are solvent dependent. One of the largest discrepancies is observed when water is used in place of organic solvents as the reaction media. Unfortunately, the redox potentials for many photocatalysts in water have not been determined, at least under one unifying set of conditions, and this greatly hinders the rational design of sustainable and biocompatible photoredox reactions. Herein, we measure the spectral and electrochemical properties of the most common photoredox catalysts in water and catalog their absorption and fluorescence maxima and ground- and excited-state potentials. Chemistry ; Photoredox catalysis ; Photochemistry ; Electrochemistry ; Aqueous solution ; Catalysis ; Redox ; Photocatalysis ; Solvent ; Fluorescence ; Chromophore ; Combinatorial chemistry ; Inorganic chemistry ; Organic chemistry ; Physical chemistry Radical Photochemical Reactions ; Advanced Photocatalysis Techniques ; CO2 Reduction Techniques and Catalysts
Authors: Pupa U. P. A. Gilbert
Source: MRS Bulletin (article, 2023-03-07)
Field: Materials Science — Biomaterials

Biomineral mesostructure Abstract Biominerals formed by animals are most frequently calcium carbonate or phosphate polycrystalline materials with complex hierarchical structures. This article will focus on the 10-nm–10-µm scale, termed “mesoscale,” at which the “mesostructure” differs greatly across biominerals, is relevant to their mechanical properties, and reveals formation mechanisms in sea urchin teeth, mollusk shell prisms and nacre, human enamel, and coral skeletons. This article will conclude by focusing on important unanswered questions to inspire future research. Graphical abstract Calcium carbonate ; Materials science ; Nanotechnology ; Enamel paint ; Mesoscale meteorology ; Carbonate ; Focus (optics) ; Geology ; Composite material ; Physics ; Oceanography ; Optics ; Metallurgy Calcium Carbonate Crystallization and Inhibition ; Cephalopods and Marine Biology ; Paleontology and Stratigraphy of Fossils
Authors: Takashi Harimoto | Yuka Sugai | Kazuma Sugawara | Takanori Suzuki | Yusuke Ishigaki
Source: Chemistry - A European Journal (article, 2023-06-13)
Field: Materials Science — Polymers and Plastics

Double Dynamic Structural Change Enabling Tricolor Chromism by the Realization of Apparent Two‐Electron Transfer to Skip the Open‐Shell State Most redox systems generally cannot avoid the involvement of open-shell species upon generating multiply charged species, which often reduces reversibility in multi-color electrochromic systems. In this study, we newly synthesized octakis(aminophenyl)-substituted pentacenebisquinodimethane (BQD) derivatives and their hybrids with alkoxyphenyl analogues. Thanks to apparent two-electron transfer accompanied by double dramatic changes in the structure of the arylated quinodimethane skeleton, the dicationic and tetracationic states were generated and isolated quantitatively because of the negligible steady-state concentration of intermediary open-shell species such as monocation or trication radicals. When two electrophores with different donating abilities are attached to the BQD skeleton, a dicationic state with a different color can be isolated in addition to the neutral and tetracationic states. For these tetracations, an interchromophore interaction induces a red-shift of the NIR absorptions, thus realizing tricolor UV/Vis/NIR electrochromic behavior involving only closed-shell states. Electrochromism ; Open shell ; Shell (structure) ; Electron transfer ; Redox ; Realization (probability) ; Chemistry ; Photochromism ; Electron ; Photochemistry ; Chemical physics ; Materials science ; Physical chemistry ; Physics ; Organic chemistry Conducting polymers and applications ; Transition Metal Oxide Nanomaterials ; Organic Electronics and Photovoltaics