jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ruimeng Sun | Ruijuan Lv | Yang Zhang | Ting Du | Yuhan Li | Li-Xia Chen | Yanfei Qi
Source: RSC Advances (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Colorimetric sensing of glucose and GSH using core–shell Cu/Au nanoparticles with peroxidase mimicking activity The catalytic properties of bimetallic nanoparticles have been widely studied by researchers in many fields. In this paper, core-shell Cu/Au nanoparticles (Cu/Au NPs) were synthesized by a simple and mild one-pot method, and their peroxidase activity was proved by catalyzing the oxidation of 3,3',5,5'-tetramethylbenzidine (TMB) with color change to blue. The change of solution color and absorbance strongly depends on the concentration of H<sub>2</sub>O<sub>2</sub>, so it can be used for direct detection of H<sub>2</sub>O<sub>2</sub> and indirect detection of glucose. What's more, GSH can efficiently react with the hydroxyl radicals from H<sub>2</sub>O<sub>2</sub> catalyzed by core-shell Cu/Au NPs to inhibit the production of ox-TMB. Thus, the concentration of GSH can be determined by the decrease in the absorbance of the solution at 652 nm. The results showed that our proposed strategy had good detection range and detection limit for the detection of glucose and GSH. This method has been used in the detection of practical samples and has great application potential in environmental monitoring and clinical diagnosis. Bimetallic strip ; Absorbance ; Detection limit ; Chemistry ; Nanoparticle ; Glucose oxidase ; Catalysis ; Peroxidase ; Nuclear chemistry ; Nanotechnology ; Chromatography ; Biosensor ; Materials science ; Organic chemistry ; Enzyme ; Biochemistry Advanced Nanomaterials in Catalysis ; Electrochemical sensors and biosensors ; Advanced biosensing and bioanalysis techniques
Authors: Antonio Vittoria | Gaia Urciuoli | Salvatore Costanzo | Daniele Tammaro | Felicia Daniela Cannavacciuolo | Rossana Pasquino | Roberta Cipullo | Finizia Auriemma | Nino Grizzuti | Pier Luca Maffettone | Vincenzo Busico
Source: Macromolecules (article, 2022-06-16)
Field: Materials Science — Materials Chemistry

Extending the High-Throughput Experimentation (HTE) Approach to Catalytic Olefin Polymerizations: From Catalysts to Materials In this study, a state-of-the-art high-throughput experimentation (HTE) workflow for catalytic olefin polymerization, covering an unprecedented wide part of the polymer knowledge and value chains from catalytic synthesis all the way down to "engineering" microrheology, was thoroughly assessed with respect to its ability to prepare new materials and produce large and accurate databases for the investigation of quantitative structure–property relationships (QSPRs). Olefin blocks copolymers (OBCs) produced under chain-shuttling polymerization conditions were used as a demonstration case. The results of a thorough microstructural, structural, mechanical, morphological, and rheological characterization of OBC replicas prepared with the HTE synthetic platform and a commercial sample, chosen as a benchmark, demonstrate the robustness of the approach. The proposed workflow can become a paradigm for the high-throughput synthesis and investigation of novel materials, thus reducing the time to market of new products. In our opinion, this opens the door to integrated HTE and artificial intelligence approaches to QSPR problem solving in the numerous cases for which a thorough understanding of the theory is not sufficient to deterministically unravel the complexity of practical applications. Workflow ; Olefin fiber ; Polymerization ; Computer science ; Catalysis ; Materials science ; Throughput ; Benchmark (surveying) ; Polymer ; Robustness (evolution) ; Nanotechnology ; Biochemical engineering ; Process engineering ; Chemistry ; Organic chemistry ; Engineering ; Composite material Machine Learning in Materials Science ; Advanced Polymer Synthesis and Characterization ; Organometallic Complex Synthesis and Catalysis
Authors: Diya Sen | Vathsala Patil | Komal Smriti | Pavithra Varchas | Rashmitha Ratnakar | Dasharathraj K Shetty | Nithesh Naik | Swati Kumar
Source: Engineered Science (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Nanotechnology and Nanomaterials in Dentistry: Present and Future Perspectives in Clinical Applications Nanoscience has gained impressive traction that deals with nanostructures for diagnostics and treatment of dental diseases to attain perfect oral health with the regeneration of oral tissues using nanomaterials, bioengineering, and nanorobotics. Nanorobotics ; Nanotechnology ; Nanomaterials ; Oral health ; Dentistry ; Engineering ethics ; Medicine ; Materials science ; Engineering Advanced Nanomaterials in Catalysis ; Graphene and Nanomaterials Applications ; Biosensors and Analytical Detection
Authors: Deniz Yılmaz | Beyza Nur Günaydın | Meral Yüce
Source: Emergent Materials (review, 2022-02-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Nanotechnology in food and water security: on-site detection of agricultural pollutants through surface-enhanced Raman spectroscopy Pollutant ; Microplastics ; Surface-enhanced Raman spectroscopy ; Environmental chemistry ; Environmental science ; Nanotechnology ; Chemistry ; Raman spectroscopy ; Raman scattering ; Materials science Gold and Silver Nanoparticles Synthesis and Applications ; Biosensors and Analytical Detection ; Advanced biosensing and bioanalysis techniques
Authors: Xiaobin Zhang | Sara L. Adelman | Brian T. Arko | Channa R. De Silva | Jing Su | Stosh A. Kozimor | Veronika Mocko | Jenifer C. Shafer | Benjamin W. Stein | Georg Schreckenbach | Enrique R. Batista | Ping Yang
Source: Inorganic Chemistry (article, 2022-07-22)
Field: Chemistry — Inorganic Chemistry

Advancing the Am Extractant Design through the Interplay among Planarity, Preorganization, and Substitution Effects Advancing the field of chemical separations is important for nearly every area of science and technology. Some of the most challenging separations are associated with the americium ion Am(III) for its extraction in the nuclear fuel cycle, <sup>241</sup>Am production for industrial usage, and environmental cleanup efforts. Herein, we study a series of extractants, using first-principle calculations, to identify the electronic properties that preferentially influence Am(III) binding in separations. As the most used extractant family and because it affords a high degree of functionalization, the polypyridyl family of extractants is chosen to study the effects of the planarity of the structure, preorganization of coordinating atoms, and substitution of various functional groups. The actinyl ions are used as a structurally simplified surrogate model to quickly screen the most promising candidates that can separate these metal ions. The down-selected extractants are then tested for the Am(III)/Eu(III) system. Our results show that π interactions, especially those between the central terpyridine ring and Am(III), play a crucial role in separation. Adding an electron-donating group onto the terpyridine backbone increases the binding energies to Am(III) and stabilizes Am-terpyridine coordination. Increasing the planarity of the extractant increases the binding strength as well, although this effect is found to be rather weak. Preorganizing the coordinating atoms of an extractant to their binding configuration as in the bound metal complex speeds up the binding process and significantly improves the kinetics of the separation process. This conclusion is validated by the synthesized 1,2-dihydrodipyrido[4,3-<i>b</i>;5,6-<i>b</i>]acridine (<b>13</b>) extractant, a preorganized derivative of the terpyridine extractant, which we experimentally showed was four times more effective than terpyridine at separating Am<sup>3+</sup> from Eu<sup>3+</sup> (SF<sub>Am/Eu</sub> ∼ 23 ± 1). Chemistry ; Planarity testing ; Terpyridine ; Metal ; Ion ; Binding energy ; Computational chemistry ; Crystallography ; Organic chemistry Radioactive element chemistry and processing ; Chemical Synthesis and Characterization ; Analytical chemistry methods development
Authors: Ivana Jarak | Inês Silva | Cátia Domingues | Ana Isabel Santos | Francisco Veiga | Ana Figueiras
Source: International Journal of Molecular Sciences (review, 2022-08-02)
Field: Materials Science — Biomaterials

Nanofiber Carriers of Therapeutic Load: Current Trends The fast advancement in nanotechnology has prompted the improvement of numerous methods for the creation of various nanoscale composites of which nanofibers have gotten extensive consideration. Nanofibers are polymeric/composite fibers which have a nanoscale diameter. They vary in porous structure and have an extensive area. Material choice is of crucial importance for the assembly of nanofibers and their function as efficient drug and biomedicine carriers. A broad scope of active pharmaceutical ingredients can be incorporated within the nanofibers or bound to their surface. The ability to deliver small molecular drugs such as antibiotics or anticancer medications, proteins, peptides, cells, DNA and RNAs has led to the biomedical application in disease therapy and tissue engineering. Although nanofibers have shown incredible potential for drug and biomedicine applications, there are still difficulties which should be resolved before they can be utilized in clinical practice. This review intends to give an outline of the recent advances in nanofibers, contemplating the preparation methods, the therapeutic loading and release and the various therapeutic applications. Nanofiber ; Biomedicine ; Nanotechnology ; Materials science ; Scope (computer science) ; Computer science ; Bioinformatics ; Biology Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials ; RNA Interference and Gene Delivery
Authors: Martí Gimferrer | Nicolas Joly | Sílvia Escayola | Eduard Viñas | Sylvain Gaillard | Miquel Solà | Jean‐Luc Renaud | Pedro Salvador | Albert Poater
Source: Organometallics (article, 2022-05-06)
Field: Chemistry — Inorganic Chemistry

Knölker Iron Catalysts for Hydrogenation Revisited: A Nonspectator Solvent and Fine-Tuning International audience Chemistry ; Catalysis ; Reductive amination ; Amination ; Density functional theory ; Solvent ; Computational chemistry ; Ring (chemistry) ; Combinatorial chemistry ; Aromaticity ; Hydrogen ; Molecule ; Organic chemistry ; Photochemistry Asymmetric Hydrogenation and Catalysis ; Surface Chemistry and Catalysis ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Huiyun Deng | Handou Zheng | Heng Gao | Lixia Pei | Haiyang Gao
Source: Catalysts (article, 2022-08-24)
Field: Chemistry — Organic Chemistry

Late Transition Metal Catalysts with Chelating Amines for Olefin Polymerization Polyolefins are the most consumed polymeric materials extensively used in our daily life and are usually generated by coordination polymerization in the polyolefin industry. Olefin polymerization catalysts containing transition metal–organic compound combinations are undoubtedly crucial for the development of the polyolefin industry. The nitrogen donor atom has attracted considerable interest and is widely used in combination with the transition metal for the fine-tuning of the chemical environment around the metal center. In addition to widely reported olefin polymerization catalysts with imine and amide donors (sp2 hybrid N), late transition metal catalysts with chelating amine donors (sp3 hybrid N) for olefin polymerization have never been reviewed. In this review paper, we focus on late transition metal (Ni, Pd, Fe, and Co) catalysts with chelating amines for olefin polymerization. A variety of late transition metal catalysts bearing different neutral amine donors are surveyed for olefin polymerization, including amine–imine, amine–pyridine, α-diamine, and [N, N, N] tridentate ligands with amine donors. The relationship between catalyst structure and catalytic performance is also encompassed. This review aims to promote the design of late transition metal catalysts with unique chelating amine donors for the development of high-performance polyolefin materials. Polyolefin ; Polymerization ; Polymer chemistry ; Olefin fiber ; Catalysis ; Chemistry ; Transition metal ; Amide ; Amine gas treating ; Organic chemistry ; Materials science ; Polymer Organometallic Complex Synthesis and Catalysis ; Carbon dioxide utilization in catalysis ; Asymmetric Hydrogenation and Catalysis
Authors: Awal Noor
Source: Coordination Chemistry Reviews (article, 2022-11-17)
Field: Chemistry — Organic Chemistry

Recent developments in two coordinate transition metal chemistry Steric effects ; Chemistry ; Transition metal ; Ligand (biochemistry) ; Reactivity (psychology) ; Electronic structure ; Coordination complex ; Electronic effect ; Open shell ; Characterization (materials science) ; Computational chemistry ; Metal ; Degree of unsaturation ; Chemical physics ; Nanotechnology ; Catalysis ; Combinatorial chemistry ; Stereochemistry ; Organic chemistry Organometallic Complex Synthesis and Catalysis ; Magnetism in coordination complexes ; Metal complexes synthesis and properties
Authors: Anni Kooli | Lars J. Wesenberg | Marko Beslać | Anastasiya Krech | Margus Lopp | Timothy Noël | Maksim Ošeka
Source: European Journal of Organic Chemistry (article, 2022-03-09)
Field: Chemistry — Organic Chemistry

Electrochemical Hydroxylation of Electron‐Rich Arenes in Continuous Flow Abstract Electrochemical hydroxylation of arenes by trifluoroacetic acid provides a straightforward access to aryl oxygen compounds under the mild and environmental benign reaction conditions. Harmful and pollutant stoichiometric amounts of oxidation reagents and the use of metal‐catalysts can be avoided. Herein, we present a novel method for the synthesis of hydroxylated products from electron‐rich arenes that was achieved by the implementation of a continuous‐flow setup. The continuous nature of the process allowed to fine‐tune the reactions conditions in order to prevent the decomposition of the sensitive products expanding the reaction scope beyond electron‐poor and neutral arenes that were previously reported in the batch processes. Thus, synthetically valuable hydroxylated arenes were obtained in good yields with the residence time just over a minute. In order to demonstrate the reliability and the efficiency of the electrochemical flow setup, a scale up experiment was also performed. Chemistry ; Hydroxylation ; Electrochemistry ; Reagent ; Catalysis ; Flow chemistry ; Aryl ; Combinatorial chemistry ; Stoichiometry ; Continuous flow ; Organic chemistry ; Photochemistry ; Electrode ; Biochemical engineering ; Physical chemistry Radical Photochemical Reactions ; Innovative Microfluidic and Catalytic Techniques Innovation ; Oxidative Organic Chemistry Reactions
Authors: Marco Mareliati | Luciano Tadiello | Silvia Guerra | Luca Giannini | Stephen Schrettl | Christoph Weder
Source: Macromolecules (article, 2022-06-10)
Field: Materials Science — Polymers and Plastics

Metal–Ligand Complexes as Dynamic Sacrificial Bonds in Elastic Polymers The chemical modification of technical rubbers to fine-tune their properties is a subject of current interest. Here, we report a facile approach for the straightforward introduction of non-covalent cross-links based on metal–ligand complexes into styrene-butadiene rubber (SBR). This was achieved by grafting the multidentate 2,6-bis(1′-methylbenzimidazolyl)-pyridine (Mebip) ligand to the polymers’ vinylic double bonds via a thiol–ene reaction. The addition of zinc trifluoromethanesulfonate [Zn(OTf)2] leads to the formation of Zn–Mebip complexes, whose concentration can be readily varied. The non-covalent interactions greatly increase the SBR’s toughness, strain at break, and tensile strength, without significantly impacting the elasticity. Moreover, the beneficial influence of metal–ligand complexes extends to conventionally vulcanized SBR and filled rubber compounds. The characterization of different materials under significant oscillatory stresses shows that the non-covalent interactions introduce an additional mode of energy dissipation, even in the presence of extensive covalent cross-linking and different reinforcing fillers. The data suggest that metal–ligand complexes can act as dynamic sacrificial bonds that reinforce the rubbers under conditions of high demand, while corresponding materials featuring only covalent cross-links fail. Considering that the interaction strength and dynamics of the metal–ligand complexes can be readily modified via the choice of the ligand and the metal salt and that their concentration can be easily varied, the approach should allow one to adapt the properties of SBRs and other rubbers containing unsaturated bonds over a wide range. Covalent bond ; Ligand (biochemistry) ; Vulcanization ; Polybutadiene ; Polymer ; Polymer chemistry ; Elastomer ; Metal ; Chemistry ; Materials science ; Natural rubber ; Copolymer ; Organic chemistry Polymer composites and self-healing ; Polymer Nanocomposites and Properties ; Advanced Sensor and Energy Harvesting Materials
Authors: Ali M. Nasr | Salama Mostafa Aboelenin | Mohammad Y. Alfaifi | Ali A. Shati | Serag Eldin I. Elbehairi | Reda F.M. Elshaarawy | Nashwa H. Abd Elwahab
Source: Pharmaceutics (article, 2022-06-22)
Field: Chemistry — Organic Chemistry

Quaternized Chitosan Thiol Hydrogel-Thickened Nanoemulsion: A Multifunctional Platform for Upgrading the Topical Applications of Virgin Olive Oil (1) Background: Virgin olive oil (VOO) has attracted the attention of many researchers due to its nutritional and medicinal values. However, VOO's biological applications have been limited due to a lack of precise chemical profiling and approach to increase the physicochemical characteristics, bioactivity, and delivery of its bioactive components; (2) Methods: The current study intended to evaluate the chemical composition of VOO using the GC-MS technique and determine its major components. Furthermore, the effect of incorporating VOO into Tween 80-lecithin nanoemulsion (OONE) and a quaternized trimethyl chitosan-thiol (TMCT) hydrogel-thickened nanoemulsion system (OOHTN) on its physicochemical characteristics and biological potentials will be investigated; (3) Results: The VOO-based NEs' physicochemical properties (particle size and zeta potential) were steady during storage for four weeks owing to the inclusion of the protective TMCT hydrogel network to OONE. Excessive fine-tuning of olive oil nanoemulsion (OONE) and the TMCT protective network's persistent positive charge have contributed to the oil's improved antimicrobial, anti-biofilm, and antioxidant potentials; (4) Conclusions: The Tween 80-lecithin-TMCT nanosystem might provide a unique and multifunctional nanoplatform for efficient topical therapy as well as the transdermal delivery of lipophilic bioactive compounds. Chemistry ; Lecithin ; Chitosan ; Olive oil ; Zeta potential ; Transdermal ; Antioxidant ; Antimicrobial ; Chromatography ; Organic chemistry ; Food science ; Nanotechnology ; Nanoparticle ; Materials science ; Pharmacology Edible Oils Quality and Analysis ; Food Chemistry and Fat Analysis ; Proteins in Food Systems
Authors: P.P. Bardapurkar | Sanjaykumar Dalvi | V.D. Joshi | P.S. Solanki | Vishal Rathod | Nilesh Shah | N.P. Barde
Source: Results in Surfaces and Interfaces (article, 2022-08-01)
Field: Materials Science — Materials Chemistry

Effect of silica matrix on structural and optical properties of cobalt ferrite nanoparticles Effect of silica on structural and optical properties of cobalt ferrite nanoparticles is investigated. Silica matrix helps to reduce nanoparticle agglomeration. X-ray diffraction (XRD) and UV–Visible (UV–Vis) spectroscopic techniques are employed. XRD reveals pure phase formation with material density varying from 2.37 g cm−3 to 0.85 g cm−3. Energy band gap shows an escalation (2.03 eV to 4.89 eV) for change in silica from 0% to 90%. An empirical formula for refractive index as μ = A(silica content)2+B(silica content)+C has been derived using theoretical fit. With increase in silica content, the refractive index, optical dielectric constant and dielectric susceptibility show decrements from 2.65 to 1.83, 6.0225 to 2.3489 and 0.4795 to 0.1870 respectively. The reflectivity, absorption coefficient, molar refractive index, molar electronic polarizability, reflection loss, polaron radius and optical basicity also show reduction. Dielectric polarizability, transmission coefficient and oxygen packing density show increment from 0.33 Å 3 to 11.19 Å 3, 0.6606 to 0.8416 and 40.2114 to 34.2266. Ionic concentration of silica, metallization criterion also show similar incremental trend. Observed effects have been attributed to the change in interparticle interactions, density and microstructure of the samples. Swift changes in parameters indicate their fine tuning through optimum magnitude of silica. Refractive index ; Dielectric ; Materials science ; Polarizability ; Analytical Chemistry (journal) ; Ferrite (magnet) ; Band gap ; Nanoparticle ; Chemistry ; Nanotechnology ; Composite material ; Optoelectronics ; Molecule Magnetic Properties and Synthesis of Ferrites ; Multiferroics and related materials ; Iron oxide chemistry and applications
Authors: Anwar Ul‐Hamid | Hatim Dafalla | Abbas Saeed Hakeem | Ali Haider | Muhammad Ikram
Source: International Journal of Molecular Sciences (article, 2022-02-20)
Field: Materials Science — Materials Chemistry

In-Vitro Catalytic and Antibacterial Potential of Green Synthesized CuO Nanoparticles against Prevalent Multiple Drug Resistant Bovine Mastitogen Staphylococcus aureus Nanoparticles prepared from bio-reduction agents are of keen interest to researchers around the globe due to their ability to mitigate the harmful effects of chemicals. In this regard, the present study aims to synthesize copper oxide nanoparticles (CuO NPs) by utilizing root extracts of ginger and garlic as reducing agents, followed by the characterization and evaluation of their antimicrobial properties against multiple drug resistant (MDR) <i>S. aureus</i>. In this study, UV-vis spectroscopy revealed a reduced degree of absorption with an increase in the extract amount present in CuO. The maximum absorbance for doped NPs was recorded around 250 nm accompanying redshift. X-ray diffraction analysis revealed the monoclinic crystal phase of the particles. The fabricated NPs exhibited spherical shapes with dense agglomeration when examined with FE-SEM and TEM. The crystallite size measured by using XRD was found to be within a range of 23.38-46.64 nm for ginger-doped CuO and 26-56 nm for garlic-doped CuO. Green synthesized NPs of ginger demonstrated higher bactericidal tendencies against MDR <i>S. aureus</i>. At minimum and maximum concentrations of ginger-doped CuO NPs, substantial inhibition areas for MDR <i>S. aureus</i> were (2.05-3.80 mm) and (3.15-5.65 mm), and they were measured as (1.1-3.55 mm) and (1.25-4.45 mm) for garlic-doped NPs. Conventionally available CuO and crude aqueous extract (CAE) of ginger and garlic roots reduced MB in 12, 21, and 38 min, respectively, in comparison with an efficient (100%) reduction of dye in 1 min and 15 s for ginger and garlic doped CuO NPs. Staphylococcus aureus ; In vitro ; Microbiology ; Antibacterial activity ; Drug ; Chemistry ; Antibiotics ; Staphylococcus ; Drug resistance ; Biology ; Bacteria ; Pharmacology ; Biochemistry Nanoparticles: synthesis and applications ; Copper-based nanomaterials and applications ; Advanced Nanomaterials in Catalysis