jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Vasyl Stasiv | Yaroslav Zhydachevskyy | Vitalii Stadnik | Vasyl Hreb | Vitaliy Mykhaylyk | L. Vasylechko | A. Luchechko | Tomasz Wojciechowski | P. Sybilski | A. Suchocki
Source: arXiv (Cornell University) (preprint, 2024-02-13)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Chemical tuning of photo- and persistent luminescence of Cr3+-activated beta-Ga2O3 by alloying with Al2O3 and In2O3 An effect of alloying of the monoclinic beta- Ga2O3 with Al2O3 and In2O3 on the photoluminescent, thermoluminescent and persistent luminescent properties of Cr3+ ions has been comprehensively investigated. For this purpose, various series of Cr3+ and Ca2+ co-doped microcrystalline phosphors were synthesized by the solution combustion method, including pseudobinary compounds like (Ga-Al)2O3 with up to 20% Al and (Ga-In)2O3 with up to 50% In as well as pseudoternary compounds (Ga Al In)2O3 with balanced proportion of Al, Ga and In. The phase composition and crystal structure of the obtained materials were examined by X-ray powder diffraction technique. Detailed luminescence studies were conducted for the (Ga-Al)2O3 and (Ga-In)2O3 compounds which exhibited a single-phase monoclinic structure. Low-temperature and time-resolved photoluminescence investigations of the Cr-doped pseudobinary compounds unveiled several types of Cr3+ centres, attributed to the Al-, Ga- and In-centred octahedra in the studied alloys. The obtained results underscore the benefit of bandgap engineering through alteration in the host lattice chemical composition for efficient tuning of the thermoluminescent and persistent luminescent properties of the near-infrared-emitting beta Ga2O3:Cr based phosphors. Furthermore, it was demonstrated that modification of the chemical composition of the host lattice also adjusts the thermometric performance of the studied phosphors. Indeed, the specific sensitivity of the beta- Ga2O3:Cr3+ decay time luminescence thermometer showed nearly twofold enhancement when the host lattice was alloyed with 30% of In2O3. Luminescence ; BETA (programming language) ; Persistent luminescence ; Materials science ; Nanotechnology ; Chemistry ; Optoelectronics ; Computer science Ga2O3 and related materials ; Luminescence Properties of Advanced Materials ; Advanced Photocatalysis Techniques
Authors: Durgendra Yadav | Vishwa Deepak Singh | Ashish Kumar Kushwaha | Anjani Kumar | Roop Shikha Singh
Source: Journal of Materials Chemistry C (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Artificial light harvesting gel based on saponification-triggered gelation of aggregation-induced emissive BODIHYs The present work provides a detailed study on saponification-triggered gelation of ester-based BODIHYs (B1 and B2) and explores their application in artificial light harvesting in solution and gel phase. Saponification ; Materials science ; Chemical engineering ; Phase (matter) ; Polymer science ; Organic chemistry ; Chemistry Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics ; Supramolecular Self-Assembly in Materials
Authors: Dinabandhu Das | Anjan Kumar | Chinam Niranjan Patra
Source: International Journal of Current Research and Review (review, 2024-01-01)
Field: Materials Science — Biomaterials

A Holistic Review on Applications of Different Grades of Polyethylene oxide in Pharmaceutical Formulation Development Polyethylene oxide (PEO) is a multifaceted polymer with extensive applications in pharmaceutical product development. This review highlights its significant roles in various drug delivery systems. In hydrogels, PEO’s hydrophilicity and gel-forming capabilities enhance drug stability and controlled release. Osmotic pumps benefit from PEO’s ability to regulate osmotic pressure and drug solubility, ensuring precise and consistent drug delivery. PEO’s mucoadhesive properties improve drug retention and bioavailability in mucoadhesive drug delivery systems, providing sustained therapeutic effects. In gastro-retentive drug delivery systems, PEO prolongs gastric residence time, enhancing the bioavailability of drugs absorbed primarily in the stomach. Finally, PEO’s thermoplastic properties make it an essential component in hot melt extrusion processes, facilitating the formation of homogenous drug-polymer matrices and improving the solubility of poorly water-soluble drugs. Overall, PEO’s versatility and effectiveness across these applications underscore its critical role in advancing pharmaceutical formulations and optimizing therapeutic outcomes. Polyethylene oxide ; Materials science ; Biochemical engineering ; Computer science ; Engineering ; Composite material ; Polymer biodegradable polymer synthesis and properties ; Analytical Methods in Pharmaceuticals ; Polymer Science and PVC
Authors: Carmen Rosales-Martínez | Diego López‐Alcalá | Marcelo Assis | Celia Castillo‐Blas | José J. Baldoví | Isabel Abánades Lázaro
Source: ChemRxiv (preprint, 2024-07-01)
Field: Chemistry — Inorganic Chemistry

Enhancing cis-trans azobenzene photoisomerization in mismatching mixed-linker multivariate Zr6 MOFs. Multivariate metal-organic frameworks (MTV MOFs) have emerged as promising materials due to their ability to combine properties that enhance features beyond those of their pristine counterparts. Despite the potential for tailoring electronic properties through structural distortions and defect sites introduced by linkers of variable lengths, examples remain scarce, and information on the electronic structure of mismatching MTV MOFs is limited. Here, we present the multivariate mismatching linker approach to generate well-dispersed nanoparticulated MOFs with variable lattice parameters and porosity features controlled by mixed-linker composition. Structural defects, such as tangling linkers, are generated due to mismatching crystal lattices, tuning the electronic structure even at low concentrations. Combining biphenyl and azobenzene ditopic linkers in Zr6-MOFs promotes cis-trans photoisomerization of tangling azobenzene linkers, which is typically constrained in azobenzene MOFs with linkers bonded through both carboxylates. Moreover, introducing low quantities of azobenzene drastically reduces the bandgap of the materials due to the contribution of the azo group, which is supported by first-principles calculations. This paves the way for new photo-responsive materials for photo-switching applications. Azobenzene ; Photoisomerization ; Linker ; Materials science ; Metal-organic framework ; Biphenyl ; Porosity ; Multivariate statistics ; Crystallography ; Nanotechnology ; Polymer ; Chemistry ; Organic chemistry ; Composite material ; Catalysis ; Computer science ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Machine Learning in Materials Science ; Polyoxometalates: Synthesis and Applications
Authors: E.V. Boldyreva
Source: IUCrJ (article, 2024-06-27)
Field: Chemistry — Physical and Theoretical Chemistry

Relating solvatochromism and solvatomorphism in organic dyes using high pressure By using complementary experimental methods including in situ high-pressure single-crystal X-ray diffraction and UV-Vis spectroscopy, the intricate connection between solvatochromism and solvatomorphism has been elucidated in a recent publication [Sobczak & Katrusiak (2024). IUCrJ, 11, 528-537]. The connection was demonstrated for an important pigment - Reichardt's dye - with potential applications in nonlinear optoelectronics and molecular pressure sensor development. Solvatochromism ; Diffraction ; High pressure ; Connection (principal bundle) ; Spectroscopy ; Materials science ; Optoelectronics ; Chemistry ; Nanotechnology ; Computer science ; Molecule ; Optics ; Organic chemistry ; Engineering physics ; Physics ; Mathematics Photochemistry and Electron Transfer Studies ; Nonlinear Optical Materials Studies ; Photochromic and Fluorescence Chemistry
Authors: Matteo Amelia | Tommaso Avellini | Simone Monaco | Stefania Impellizzeri | İbrahim Yıldız | Françisco M. Raymo | Alberto Credi
Source:  (preprint, 2024-06-13)
Field: Materials Science — Materials Chemistry

Redox properties of CdSe and CdSe–ZnS quantum dots in solution &lt;p&gt;Semiconductor quantum dots (QDs) are inorganic nanoparticles which, because of their unique size-dependent electronic properties, are of high potential interest for the construction of functional nanodevices. Photoinduced electron transfer is a versatile mechanism used to implement light-induced functionalities in multicomponent (supra)molecular assemblies. Indeed, QDs can be employed as active components in new generations of these systems. The rational design of the latter, however, requires prior knowledge of the photo-physical properties and redox potentials of the nanocrystals. Here we discuss the results of recent systematic electrochemical investigations aimed at understanding the structural factors that regulate the redox properties of CdSe core and CdSe–ZnS core–shell QDs.&lt;/p&gt; Quantum dot ; Nanocrystal ; Redox ; Nanotechnology ; Semiconductor ; Rational design ; Electron transfer ; Nanoparticle ; Materials science ; Core (optical fiber) ; Chemistry ; Optoelectronics ; Photochemistry Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films ; Advanced Photocatalysis Techniques
Authors: A. I. Mallick
Source: Journal of Emerging Technologies and Innovative Research (article, 2024-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Half-Metallic Heusler Alloys for Spintronic Applications: Materials Design, Properties, and Device Perspectives Spintronics exploits the spin degree of freedom of electrons in addition to their charge, enabling next-generation electronic devices with enhanced speed, reduced power consumption, and non-volatile functionality. A central challenge in spintronics is the realization of materials with high spin polarization at the Fermi level that remain stable under device operating conditions. Half-metallic Heusler alloys have emerged as leading candidates in this regard due to their unique electronic structures, high Curie temperatures, and structural versatility. This review provides a comprehensive and critical overview of half-metallic Heusler alloys for spintronic applications. We discuss crystallographic families, electronic and magnetic properties, theoretical foundations of half-metallicity, synthesis routes, and the impact of disorder and defects. Special emphasis is placed on their integration into spintronic devices such as magnetic tunnel junctions, giant magnetoresistance structures, and spin-transfer-torque memory. Current challenges and future research directions are outlined, highlighting pathways toward robust room-temperature spin polarization and large-scale device integration. Spintronics ; Giant magnetoresistance ; Curie temperature ; Spin pumping ; Spin polarization ; Tunnel magnetoresistance ; Magnetoresistance ; Ferromagnetism Heusler alloys: electronic and magnetic properties ; Magnetic properties of thin films ; 2D Materials and Applications
Authors: Stéphane Rigaut | Olivier Galangau
Source: Chemistry - A European Journal (review, 2024-09-27)
Field: Chemistry — Organic Chemistry

The Many Facets of Ru<sup>II</sup>(dppe)<sub>2</sub> Acetylide Compounds In this contribution, we describe the various research domains in which Ru<sup>II</sup> alkynyl derivatives are involved. Their peculiar molecular properties stem from a strong and intimate overlap between the metal centered d orbitals and the π system of the acetylide ligands, resulting in plethora of fascinating properties such as strong and tunable visible light absorption with a strong MLCT character essential for sensing, photovoltaics, light-harvesting applications or non-linear optical properties. Likewise, the d/π mixing results in tunable redox properties at low potential due to the raising of the HOMO level, and making those compounds particularly suited to achieve redox switching of various properties associated to the acetylide conjugated ligand, such as photochromism, luminescence or magnetism, for charge transport at the molecular level and in field effect transistor devices, or charge storage for memory devices. Altogether, we show in this review the potential of Ru<sup>II</sup> acetylide compounds, insisting on the molecular design and suggesting further research developments for this class of organometallic dyes, including supramolecular chemistry. Acetylide ; Chemistry ; Crystallography ; Stereochemistry Organometallic Complex Synthesis and Catalysis ; Metal complexes synthesis and properties ; Magnetism in coordination complexes
Authors: Neelam Mishra
Source: Revista Electronica de Veterinaria (article, 2024-11-07)
Field: Chemistry — Organic Chemistry

Chalcone: A new scaffold for the development of anti-epileptic medications Flavonoids chalcones are a highly attended subclass of flavonoids having structural features and a β-unsaturated carbonyl system which have been identified to have the C band in the purine binding region and are promising molecules in the synthesis of new AEDs. Seizure disorder which presents as epilepsy – an episode of neurological dysfunction described by recurrent seizures – is still a major public health issue, especially in LMICs due to inadequate access to antiseizure medication. Even with the newly developed anti-seizure drugs and novel surgical approaches, nearly 30% of patients continue to be pharmacological treatment resistant thus the development of new pharmacological therapies. This review discusses the structural flexibility and pharmacological application of chalcones to overcome the drawbacks associated with first-generation AEDs. Exploring the possibility of altering chalcones’ Functional Selectivity Profile for GABA receptors, as well as imp/map targets along with sodium and calcium channels could potentially lead to the development of a rational therapeutic strategy for drug-resistant epilepsy. Some investigators have also shown that certain chalcone derivatives have substantial anticonvulsant effects, better therapeutic profiles, and lesser harmful effects than standard AEDs. The superior formation of chalcones through microwave-assisted and green chemistry also supports the various strategies for fouling chalcones with improved therapeutic promise and bioavailability. It also provides information regarding the ability of chalcones as multi-target directed drugs, structure-activity relationships, and some issues related to the regulation of chalcones for clinical use. Despite being switchable phase II enzymes that possess diverse multi-parametric action potentials, chalcones present the possibility to design advanced AED drugs. Further discovery of pharmacodynamics, safety profiles, and factors determining the efficiency of such chalcones will remain the key to enhancing the probability of chalcones becoming effective epilepsy treatments. Chalcone ; Scaffold ; Chemistry ; Pharmacology ; Traditional medicine ; Medicine ; Stereochemistry ; Biomedical engineering Synthesis and pharmacology of benzodiazepine derivatives
Authors: Samir Salmanov | Danjela Kuščer | Mojca Otoničar
Source: Informacije MIDEM - Journal of Microelectronics Electronic Components and Materials (article, 2024-08-27)
Field: Materials Science — Ceramics and Composites

Cold Sintering of Perovskite–Perovskite Particulate Composite Based on K0.5Na0.5NbO3 and BiFeO3 The cosintering of particulate composites often presents a challenge due to the conventionally high processing temperatures used. Inter-diffusion of species between two phases and their volatilization, formation of secondary phases, and cracking or delamination of ceramics are effects that hinder the coupling of functional properties and reduce the final responses of such composites. This is particularly relevant when producing perovskite–perovskite composites from phases that are conventionally sintered at different temperatures (T s ), such as K 0.5 Na 0.5 NbO 3 (KNN; T s ≈1100 °C) and BiFeO 3 (BFO; T s ≈800 °C). Obtaining high-quality KNN–BFO multifunctional composite was the goal of this study. We demonstrate herein that the low-temperature sintering technique known as the Cold Sintering Process (CSP) can be utilized for producing particulate perovskite–perovskite composites, specifically KNN–BFO. We show that cold-sintered KNN–BFO composites have a dense microstructure, good phase-to-phase contact, are crack-free and exhibit ferroelectric properties. Their dielectric and ferroelectric properties are strongly affected by the fraction of KNN, increasing polarization saturation, while BFO aids in increasing their dielectric breakdown strength. Perovskite (structure) ; Materials science ; Sintering ; Composite number ; Particulates ; Metallurgy ; Composite material ; Chemical engineering ; Chemistry Advanced ceramic materials synthesis ; Microwave Dielectric Ceramics Synthesis ; Intermetallics and Advanced Alloy Properties
Authors: Rajagopal Kanagalatha | T. Thirumoorthy
Source: Journal of Optoelectronic and Biomedical Materials (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Green synthesis of silver nanoparticles and its characterization of maranta arundinacea Silver nanoparticles (Ag NPs) synthesized through eco-friendly and sustainable methods have gained significant attention due to their diverse applications and reduced environmental impact. In this study, the green synthesis of Ag NPs using Maranta arundinacea, commonly known as arrowroot, as a bio-reducing agent is represented. Arrowroot, abundant in phytochemicals, offers an environmentally benign approach to nanoparticle production. The description of the synthesis process, characterizing the Ag NPs using various techniques such as UV-Vis spectroscopy, Transmission Electron Microscopy (TEM), Fourier Transform Infrared Spectroscopy (FTIR) and X-ray Diffraction (XRD). These analyses reveal the formation of well-defined Ag NPs with unique properties. This research contributes to the growing field of green nanotechnology and underscores the potential of Maranta arundinacea as a valuable resource for sustainable nanoparticle synthesis. The characterized Ag NPs hold promise for various applications, including medicine, catalysis and environmental remediation and provide a foundation for further exploration in these domains. Nanotechnology ; Fourier transform infrared spectroscopy ; Silver nanoparticle ; Nanoparticle ; Materials science ; Green chemistry ; Characterization (materials science) ; Transmission electron microscopy ; Environmentally friendly ; Chemistry ; Chemical engineering ; Catalysis ; Organic chemistry ; Engineering ; Biology ; Ecology Nanoparticles: synthesis and applications
Authors: Gabrijel Zubčić | Kristina Pavić | Jiangyang You | Valerije Vrček | Tomislav Portada | Erim Bešić | Davor Šakić
Source: Acta Pharmaceutica (article, 2024-11-19)
Field: Chemistry — Organic Chemistry

Light-induced rearrangement from macrocyclic to bicyclic lactam: A case study of <i>N</i>-chlorinated laurolactam Converting macrocycle lactams into bicyclic lactams is proposed as an additional way to further increase the metabolic stability of peptide-based drugs. Unfortunately, the synthesis of bicyclic lactams has to start almost from scratch. This study explores the Hofmann-Löffler-Freytag (HLF) reaction mechanism and products as a potential late-stage functionalisation strategy for facile conversion of macrocyclic to bicyclic ring. Laurolactam, a macrocyclic amide, exhibits significant potential for transformation into bioactive bicyclic structures with smaller, β-, γ-, δ-, and ε-lactam rings, further increasing rigidity and hydrolytic stability. With irradiation provided by a 370 nm lamp, light-induced rearrangement reaction was monitored using nuclear magnetic resonance (NMR), while involved radical intermediates were trapped using <i>N</i>-<i>tert</i>-butyl-α-phenylnitrone (PBN) spin-trap and characterised <i>via</i> EPR. While only two radical adduct types were identified in the electron para magnetic resonance (EPR) (<i>C</i>-centered radical and chlorine radical), all eight possible products are observed in the NMR. Quantum chemical calculations provide deeper insights into reaction thermodynamics and kinetics, explaining why the <i>N</i>-centered radical was not observed. This research highlights the feasibility of using the HLF reaction to transform macrocyclic lactams into stable bicyclic drug candidates, paving the way for new therapeutic developments. Bicyclic molecule ; Chemistry ; Electron paramagnetic resonance ; Lactam ; Amide ; Adduct ; Stereochemistry ; Photochemistry ; Organic chemistry ; Nuclear magnetic resonance Radical Photochemical Reactions ; Oxidative Organic Chemistry Reactions ; Synthesis and Catalytic Reactions
Authors: Sara Durga Bhavani | Katrapally Vijaya Kumar | B. Purna Chandra Rao | Ch. Shilpa Chakra | Kiran Kumar Ganta
Source: Ukrainian Journal of Physics (article, 2024-06-26)
Field: Materials Science — Materials Chemistry

A Study on Fine-Tuning the Optical Energy Band Gap and Various Optical Parameters with the Impact of Gadolinium Composition in NGFO Ferrite Nanoparticles In the present work, gadolinium-doped nickel ferrite nanoparticles with the chemical composition NiFe2−xGdxO4 (X = 0.00, 0.05, 0.10, 0.15, 0.20, and 0.25) have been prepared by the sol-gel auto-combustion method and calcinated at 700 ∘C. The spinel ferrite phase formation was confirmed with the XRD graphs. In all the samples, the typical absorbance peak was observed in between 250–300 nm. Tauc plots were used to calculate the optical energy band gap, found in the range of 4.033–4.144 eV, and it was also calculated using x-ray density to be in the range of 3.690–4.300 eV. Both of them were observed in good agreement with each other, and we conclude that the Gd composition could finely tune the optical energy band gap. The impact of Gd composition was clearly observed on optical parameters. The refractive index, reflectivity, absorption coefficient, optical dielectric constant, and dielectric susceptibility have shown the increasing tendency from 2.1140 to 2.2325, 12.80 to 14.53%, 5.4380 to 6.3032 cm−1, 3.4690 to 3.9840 and 0.2760 to 0.3170, respectively, whereas the transmission coefficient decreased from 0.7730 to 0.7461. Gadolinium ; Materials science ; Ferrite (magnet) ; Nanoparticle ; Band gap ; Composition (language) ; Optoelectronics ; Nanotechnology ; Metallurgy ; Composite material Magnetic Properties and Synthesis of Ferrites ; Multiferroics and related materials ; Magneto-Optical Properties and Applications
Authors: Matteo Amelia | Tommaso Avellini | Simone Monaco | Stefania Impellizzeri | İbrahim Yıldız | Françisco M. Raymo | Alberto Credi
Source:  (preprint, 2024-06-13)
Field: Materials Science — Materials Chemistry

Redox properties of CdSe and CdSe–ZnS quantum dots in solution &lt;p&gt;Semiconductor quantum dots (QDs) are inorganic nanoparticles which, because of their unique size-dependent electronic properties, are of high potential interest for the construction of functional nanodevices. Photoinduced electron transfer is a versatile mechanism used to implement light-induced functionalities in multicomponent (supra)molecular assemblies. Indeed, QDs can be employed as active components in new generations of these systems. The rational design of the latter, however, requires prior knowledge of the photo-physical properties and redox potentials of the nanocrystals. Here we discuss the results of recent systematic electrochemical investigations aimed at understanding the structural factors that regulate the redox properties of CdSe core and CdSe–ZnS core–shell QDs.&lt;/p&gt; Quantum dot ; Nanocrystal ; Redox ; Semiconductor ; Nanotechnology ; Rational design ; Materials science ; Electron transfer ; Nanoparticle ; Core (optical fiber) ; Chemistry ; Optoelectronics ; Photochemistry Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films ; Advanced Photocatalysis Techniques