jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Karolina Kowalska | Marta Kuwik | Joanna Pisarska | Wojciech A. Pisarsk
Source: Book of Abstracts (article, 2023-01-01)
Field: Materials Science — Ceramics and Composites

Thulium-doped barium gallo-germanate glasses modified by titanium dioxide: optical investigations for near infrared applications Germanate ; Doping ; Barium ; Thulium ; Titanium dioxide ; Materials science ; Infrared ; Titanium ; Optoelectronics ; Optics ; Composite material ; Metallurgy ; Physics Glass properties and applications ; Phase-change materials and chalcogenides ; Material Science and Thermodynamics
Authors: Tsenka Grancharova | Stanislava Simeonova | Bissera Pilicheva | Plamen Zagorchev
Source: Book of Abstracts (article, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Photothermal performance of bimetallic Ag-Fe nanoparticles obtained by green synthesis Bimetallic strip ; Photothermal therapy ; Nanoparticle ; Materials science ; Nanotechnology ; Chemical engineering ; Computer science ; Metallurgy ; Engineering Gold and Silver Nanoparticles Synthesis and Applications ; Laser-Ablation Synthesis of Nanoparticles ; Nanomaterials for catalytic reactions
Authors: Slava Tsoneva | Marian Hristov | Andgela Todorova | Georgе Valev | Teodora Vasileva | Stoyanka Nikolova | Petya Marinova
Source: Book of Abstracts (article, 2023-01-01)
Field: Chemistry — Analytical Chemistry

Anthranilic acid amide and its complex with Cu(II) ions Anthranilic acid ; Amide ; Ion ; Chemistry ; Computer science ; Organic chemistry Analytical Methods in Pharmaceuticals ; Analytical Chemistry and Chromatography
Authors: Claudia G. Chilom | Marcela Elisabeta Barbinta-Patrascu | Sorina Iftimie | Adriana Bălan | Enache Adrian | Daniela Oprea | Monica Enculescu
Source: Book of Abstracts (article, 2023-01-01)
Field: Materials Science — Biomaterials

Human serum albumin nanoparticles for targeting colon cancer cells Cancer ; Human serum albumin ; Nanoparticle ; Albumin ; Colorectal cancer ; Human albumin ; Serum albumin ; Cancer research ; Bovine serum albumin ; Medicine ; Chemistry ; Internal medicine ; Nanotechnology ; Materials science ; Immunology ; Biochemistry Nanoparticle-Based Drug Delivery
Authors: Boryana Karamanova | Emiliya Mladenova | Antonia Stoyanova
Source: Book of Abstracts (article, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electrochemical performance of supercapacitors based on carbon material electrodes in different electrolytes Supercapacitor ; Electrolyte ; Electrochemistry ; Electrode ; Materials science ; Carbon fibers ; Nanotechnology ; Chemical engineering ; Composite material ; Chemistry ; Engineering ; Composite number Supercapacitor Materials and Fabrication ; Electrocatalysts for Energy Conversion ; Fuel Cells and Related Materials
Authors: Nicolas Callebaut | Jacky Liévin | Émilie Cauët
Source: Book of Abstracts (article, 2023-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Quantum chemical study of the charge transfer in an ionized complex of three stacked guanines Charge (physics) ; Quantum chemical ; Ionization ; Chemical physics ; Quantum ; Chemistry ; Materials science ; Atomic physics ; Physics ; Molecule ; Ion ; Quantum mechanics ; Organic chemistry Photochemistry and Electron Transfer Studies ; Porphyrin and Phthalocyanine Chemistry ; Synthesis and Properties of Aromatic Compounds
Authors: Aigul Sarkeeva | R. R. Mulyukov
Source: Book of Abstracts (article, 2023-01-01)
Field: Materials Science — General Materials Science

Multilayer laminate manufactured from near-alpha titanium alloy Materials science ; Titanium alloy ; Alloy ; Titanium ; Alpha (finance) ; Metallurgy ; Composite material Material Properties and Applications ; Intermetallics and Advanced Alloy Properties ; Material Science and Thermodynamics
Authors: Nikola Bednarska‐Adam | Marta Kuwik | Tomasz Goryczka | Wojciech A. Pisarski | Joanna Pisarska
Source: Book of Abstracts (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Luminescence characterization of olivine-type ceramic phosphors Li2MgGeO4:RE3+ (RE: Pr3+, Er3+, Ho3+, Tm3+) Phosphor ; Ceramic ; Olivine ; Materials science ; Luminescence ; Characterization (materials science) ; Mineralogy ; Analytical Chemistry (journal) ; Chemistry ; Optoelectronics ; Metallurgy ; Nanotechnology Luminescence Properties of Advanced Materials ; Radiation Detection and Scintillator Technologies ; Glass properties and applications
Authors: Svetlana Veleva | Boryana Karamanova | Antonia Stoyanova
Source: Book of Abstracts (article, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Activated carbon xerogel as an electrode material in supercapacitor systems Supercapacitor ; Electrode ; Carbon fibers ; Materials science ; Computer science ; Environmental science ; Process engineering ; Capacitance ; Composite material ; Chemistry ; Engineering ; Composite number Supercapacitor Materials and Fabrication ; Aerogels and thermal insulation ; Catalytic Processes in Materials Science
Authors: Stanislav Pohorielov | Н. Г. Кокодий | В. А. Тиманюк | Igor Krasovskyy | Iryna Hariachevska | Darya Gurina | Denys Protektor
Source: Book of Abstracts (article, 2023-01-01)
Field: Materials Science — Polymers and Plastics

Measurement of thermophysical parameters of human hair Computer science ; Materials science Textile materials and evaluations ; Infrared Thermography in Medicine ; Thermoregulation and physiological responses
Authors: Aušra Nemeikaitė-Čėnienė | Violeta Jonušienė | Lina Misevičienė | Audronè Maroziené | Narimantas Čėnas
Source: Book of Abstracts (article, 2023-01-01)
Field: Chemistry — Organic Chemistry

Cytotoxicity of nitroaromatic drugs: a role of sulfone group Sulfone ; Cytotoxicity ; Computer science ; Medicine ; Pharmacology ; Chemistry ; Organic chemistry ; In vitro ; Biochemistry Synthesis and Characterization of Heterocyclic Compounds
Authors: Mirjana Radenković | Dušan Topalović | Mirjana Ćujić | Antonije Onjia
Source: Book of Abstracts (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Monitoring of biomass and biofuels contribution to atmospheric pollution by using nuclear techniques Prenatal exposure Biofuel ; Biomass (ecology) ; Environmental science ; Pollution ; Atmospheric pollution ; Waste management ; Process engineering ; Engineering ; Ecology ; Geology ; Oceanography Graphite, nuclear technology, radiation studies
Authors: Elena Ionela Neacşu | Laura Ruxandra Zicman | M. Nicu | L. Done
Source: Book of Abstracts (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

ow and intermediate level aqueous radioactive waste treatment in a modular installation Modular design ; Radioactive waste ; Aqueous solution ; Waste management ; Environmental science ; Computer science ; Radiochemistry ; Nuclear engineering ; Process engineering ; Chemistry ; Engineering ; Operating system ; Organic chemistry Graphite, nuclear technology, radiation studies ; Nuclear and radioactivity studies
Authors: Stevan Andrejić | Nevena Zdjelarević | Jovana Knežević
Source: Book of Abstracts (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Radionuclide analysis of the simulated contaminated surface sample for the purpose of IAEA-TERC-2022-01/02 Proficiency Test Radionuclide ; Contamination ; Sample (material) ; Nuclear engineering ; Environmental science ; Radiochemistry ; Engineering ; Nuclear physics ; Chemistry ; Physics Graphite, nuclear technology, radiation studies ; Nuclear and radioactivity studies ; Radioactive contamination and transfer
Authors: M. A. Goldberg | Д В Валеев | N. A. DONSKAYA | А. С. Фомин | О. С. Антонова | Anatoliy A. Konovalov | В. С. Комлев
Source: Book of Abstracts (article, 2023-01-01)
Field: Chemistry — Inorganic Chemistry

Mesoporous hydroxyapatite powders containing molybdate anions obtained by the hydrothermal method as a promising heterogeneous catalyst Hydrothermal circulation ; Molybdate ; Mesoporous material ; Catalysis ; Materials science ; Chemical engineering ; Hydrothermal synthesis ; Inorganic chemistry ; Chemistry ; Organic chemistry Pigment Synthesis and Properties ; Catalysis and Hydrodesulfurization Studies ; Catalysis and Oxidation Reactions
Authors: Iva Belovezhdova | Valentina Lyubomirova | B. Todorov
Source: Book of Abstracts (article, 2023-01-01)
Field: Chemistry — Analytical Chemistry

Optimization of sample preparation for GC-MS analysis of pahs in solid waste samples Sample (material) ; Gas chromatography–mass spectrometry ; Sample preparation ; Gas chromatography ; Chromatography ; Municipal solid waste ; Environmental chemistry ; Environmental science ; Materials science ; Waste management ; Chemistry ; Mass spectrometry ; Engineering Analytical chemistry methods development
Authors: Asya Azieva
Source: Book of Abstracts (article, 2023-01-01)
Field: Materials Science — Biomaterials

IPSCs more effectively differentiate into neurons on PLA scaffolds with high adhesive properties for primary neuronal cells Adhesive ; Induced pluripotent stem cell ; Primary (astronomy) ; Materials science ; Nanotechnology ; Chemistry ; Embryonic stem cell ; Biochemistry Electrospun Nanofibers in Biomedical Applications ; Connective tissue disorders research ; biodegradable polymer synthesis and properties
Authors: Mirjana B. Čolović | Goran Gajski | Ana‐Marija Domijan | Marko Gerić | Nada D. Savić | Tatjana N. Parac‐Vogt | Danijela Krstić
Source: Book of Abstracts (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

In vitro genotoxicity assessment of a monolacunary Wells-Dawson nanocluster as a promising contrast agent candidate Prenatal exposure Genotoxicity ; Contrast (vision) ; In vitro ; Chemistry ; Computer science ; Toxicity ; Biochemistry ; Artificial intelligence Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Nanoparticle-Based Drug Delivery
Authors: Jiayue Li
Source: Theoretical and Natural Science (article, 2023-12-20)
Field: Chemistry — Physical and Theoretical Chemistry

Overview of benzene and exploration of benzene structure Benzene is a hydrocarbon the simplest aromatics. But the search for benzenes structure has been tortuous. This article mainly introduces the basic properties of benzene. From the physical properties of benzene to the chemical properties of benzene to the uses of benzene. In this work, we also summarize the process of scientists exploration of benzene structure and introduce the background of benzene. Of all the structures of benzene, the Kekule structure is the most recognized structure. We have proved the correctness of the Kekule structure by the product of the ozonation decomposition reaction of o-xylene. However, the Kekule structure has some limitations, the search for benzene structure is still ongoing, and we are still trying to find ways to better describe the structure of benzene. So we also sum up some modern theories about the structure of benzene. In addition, benzene is a very common chemical raw material. The article also lists some chemical products made from benzene. Benzene ; Chemistry ; Materials science ; Computational chemistry ; Organic chemistry Various Chemistry Research Topics
Authors: Matteo Zanda
Source: Synthesis (article, 2023-12-12)
Field: Chemistry — Organic Chemistry

SYNFORM ISSUE 2024/1 the group of S. G. Newman (Canada), who devel oped a novel deoxygenative Suzuki-Miyaura arylation of tertiary alcohols using silyl ethers and an unusual bisimidazolium Nheterocyclic carbene (NHC) ligand.A second Literature Coverage article stems from the work of R. Giri's group (USA) on a new approach to the intermolecular alkene cyclopropanation by using active methylene compounds -such as malonates -and photosensitized molecular oxygen.The issue is closed by a third Literature Coverage article, this one covering a fascinating subject, namely the synthesis and proper ties of cyclic sandwich compounds, recently published in Nature by the group of P. W. Roesky (Germany). Chemistry ; Earth science ; Geology N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Cyclopropane Reaction Mechanisms ; Catalytic Cross-Coupling Reactions
Authors: Matteo Zanda
Source: Synfacts (article, 2023-12-08)
Field: Chemistry — Organic Chemistry

SYNFORM ISSUE 2024/01 the group of S. G. Newman (Canada), who devel oped a novel deoxygenative Suzuki-Miyaura arylation of tertiary alcohols using silyl ethers and an unusual bisimidazolium Nheterocyclic carbene (NHC) ligand.A second Literature Coverage article stems from the work of R. Giri's group (USA) on a new approach to the intermolecular alkene cyclopropanation by using active methylene compounds -such as malonates -and photosensitized molecular oxygen.The issue is closed by a third Literature Coverage article, this one covering a fascinating subject, namely the synthesis and proper ties of cyclic sandwich compounds, recently published in Nature by the group of P. W. Roesky (Germany). Chemistry ; Earth science ; Geology N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Cyclopropane Reaction Mechanisms ; Catalytic Cross-Coupling Reactions
Authors: Babak Mahjour
Source: Deep Blue (University of Michigan) (article, 2023-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

A Systematic Informatics Approach to Synthetic Chemistry The navigation of chemical space through synthesis is a core principle behind drug discovery. Traditional medicinal chemistry programs rely on a few, well-developed reactivities to create pharmacophore derivatives and synthetic routes to target scaffolds. While reactions such as the amide coupling and Suzuki coupling are robust and tolerate many substrates, they introduce bias into chemical properties by limiting synthesis to a handful of bond formations, narrowing the scope and flexibility of chemical structures that can be formed from available building block compounds. Through computational enumeration, specific transformations can be targeted that direct access to specific and desirable chemical space. With high throughput experimentation and data science, these transformations can be invented and optimized experimentally to realize high value chemistries and accelerate drug discovery. This thesis describes an informatics-based systemic approach to synthetic chemistry, centered around reaction discovery to better access drug-like chemical space. Informatics ; Data science ; Computer science ; Chemistry ; Engineering History and advancements in chemistry ; Semantic Web and Ontologies ; Advanced Database Systems and Queries
Authors: PANDURANG Y. PATIL | Satish B. Manjare | CHINMAY C. DESAI | PAVAN S. UDUGADE
Source: Pollution Research (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

ENVIRONMENT-FRIENDLY SYNTHESIS OF TITANIUM OXIDE (TIO2 ) NANOPARTICLES, CHARACTERIZATION, AND ITS APPLICATIONS Green processes are the best method to prepare nanoparticles that are economical and environment-friendly. Current reviews focus on the synthesis of TiO2 NPs and their potential applications. Plant extracts (leaves, fruit, shell and flower) and other biological sources are used in the environment-friendly synthesis of TiO2 NPs. Through a reduction mechanism, TiO2 NPs are made by reacting titanium salt with these biological sources. These biological sources are rich of metabolites. The TiO2 NPs have exclusive morphology and its surface chemistry shows a wide range of applications. The TiO2 NPs are mainly spherical with a particle size range between 1-100 nm, there is always a rich source of metabolites. They have been studied as a photocatalyst to remove toxic element from water. TiO2 NPs are also used for photocatalytic removal of dye RG-19 and many other dyes which are toxic and hazardous pollutants. TiO2 NPs exhibit potent antiparasitic and antibacterial activities against parasitic insects and pathogenic microorganisms. These TiO2 NPs exhibited size and dose-dependent antimicrobial and antiparasitic activities Environmentally friendly ; Antiparasitic ; Photocatalysis ; Nanoparticle ; Nanotechnology ; Chemistry ; Titanium ; Pollutant ; Titanium oxide ; Antiparasitic agent ; Ecotoxicity ; Materials science ; Environmental chemistry ; Chemical engineering ; Organic chemistry ; Catalysis ; Biology ; Toxicity Nanoparticles: synthesis and applications ; TiO2 Photocatalysis and Solar Cells
Authors: He Zhang | Siyuan Liu | Jiacheng You | Chang Liu | Shuxin Zheng | Ziheng Lu | Tong Wang | Nanning Zheng | Bin Shao
Source: arXiv (Cornell University) (preprint, 2023-09-28)
Field: Materials Science — Materials Chemistry

Overcoming the Barrier of Orbital-Free Density Functional Theory for Molecular Systems Using Deep Learning Orbital-free density functional theory (OFDFT) is a quantum chemistry formulation that has a lower cost scaling than the prevailing Kohn-Sham DFT, which is increasingly desired for contemporary molecular research. However, its accuracy is limited by the kinetic energy density functional, which is notoriously hard to approximate for non-periodic molecular systems. Here we propose M-OFDFT, an OFDFT approach capable of solving molecular systems using a deep learning functional model. We build the essential non-locality into the model, which is made affordable by the concise density representation as expansion coefficients under an atomic basis. With techniques to address unconventional learning challenges therein, M-OFDFT achieves a comparable accuracy with Kohn-Sham DFT on a wide range of molecules untouched by OFDFT before. More attractively, M-OFDFT extrapolates well to molecules much larger than those seen in training, which unleashes the appealing scaling of OFDFT for studying large molecules including proteins, representing an advancement of the accuracy-efficiency trade-off frontier in quantum chemistry. Density functional theory ; Scaling ; Orbital-free density functional theory ; Range (aeronautics) ; Statistical physics ; Quantum ; Basis (linear algebra) ; Representation (politics) ; Locality ; Atomic orbital ; Quantum chemistry ; Molecular orbital ; Molecule ; Computer science ; Physics ; Chemistry ; Hybrid functional ; Quantum mechanics ; Materials science ; Mathematics ; Geometry ; Electron Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Advanced Chemical Physics Studies
Source: International Journal of Biology Pharmacy and Allied Sciences (article, 2023-10-12)
Field: Chemistry — Organic Chemistry

HYTOCHEMICAL STUDY AND EVALUATION OF THE ANTIBACTERIAL, ANTIOXIDANT, CYTOTOXIC AND PHARMACOLOGICAL PROPERTIES OF Typha australis Schum &amp; Thonn EXTRACTS Medicinal plants have been used for centuries to treat numerous diseases and contain bioactive compounds with potential curative effects.Based on ethnobotanical information, phytochemical and biological studies of medicinal plants have allowed the development of valuable drugs.Typha australis Schum & Thonn is a little-studied plant native to India.It is desired to determine the presence of secondary metabolites such as flavonoids and tannins, which are phenolic compounds with antioxidant and bactericidal properties.The objective of the present study is to characterise the phytochemistry, pharmacology, cytotoxic effects, and antibacterial and antioxidant efficacy of T. australis leaf extracts.Phytochemical analysis was done using standard procedure colour identification tests, and the antibacterial activity was evaluated using the broth microdilution technique.The level of antioxidant activity was measured using the DPPH free radical test.High-performance liquid chromatography was used to determine the chemicals in the leaf extract.By doing a phytochemical analysis, the flavonoids, phenols, and tannins were found.Antimicrobial activity against Klebsiella pneumoniae (8mg/mL), Candida dubliniensis (1044 mg/mL) and Candida metapsilosis (65 mg/mL), and Staphylococcus epidermidis (4mg/mL) can be associated to the chemical compounds found in the ethanolic extract of T. australis leaves.This shows that there may be Traditional medicine ; Antioxidant ; Cytotoxic T cell ; Biology ; Chemistry ; Pharmacology ; Medicine ; Biochemistry ; In vitro Plant-Derived Bioactive Compounds ; Natural Antidiabetic Agents Studies ; Coconut Research and Applications
Authors: Arkan Yashar BARBAR | Mohammed KAKAYİ | Buket Aksu
Source: DergiPark (Istanbul University) (article, 2023-04-09)
Field: Materials Science — Materials Chemistry

OPTIMIZATION AND EVALUATION OF MOISTURIZING CREAM CONTAINING DEXPANTHENOL Arka plan/amaç: Bu çalışmanın temel amacı, dekspantenol içeren bir nemlendirici krem hazırlamak ve değerlendirmektir. Gereçler ve yöntemler: Bu çalışmada, bağımsız değişkenin değişen konsantrasyonlarının fiziksel görünüm, pH, elektriksel iletkenlik, viskozite ve sürülebilirlik Cera alba ve Stearik asidin çeşitli eksipiyanlarla farklı kombinasyonları ile farklı formülasyonlar hazırlandı. Geliştirilen formülasyonlar QbD yaklaşımı ile incelenmiştir. &quot;Tasarımla kalite&quot; olarak bilinen bir süreç, ürünün önceden belirlenmiş kalitesini garanti etmek için farmasötiklerin planlanması, geliştirilmesi ve üretiminde istatistiksel, analitik ve risk yönetimi tekniklerini kullanır.Sonuçlar: QbD çalışmalarına göre Tasarım Alanı optimum formüller için verilmiştir. Ana etkiler ve tepkiler için model denklemleri oluşturulduktan sonra, stearik asit ve cera alba içeren çeşitli krem formülasyonları, sürülebilirlik, viskozite ve elektrik iletkenliğine dayalı olarak optimize edildi.Sonuç: Sonuç olarak, bu araştırma çalışmasında elde edilen farklı formülasyonların sonuçları, belirli oranda Cera alba ve Stearik asit içeren bir nemlendirici kremin gelecek vaat eden bir potansiyele sahip olduğunu açıkça göstermiştir. Bu nedenle, kozmetik faydalarını kazanmak için nemlendirici kreme oranlarda Cera alba ve Stearik asit dahil edilir. Chemistry ; Computer science ; Medicine Thermal and Kinetic Analysis
Authors: Mohammad Ali Haghighat Bayan | Yasmin J. Dias | Chiara Rinoldi | Paweł Nakielski | Daniel Rybak | Yen Bach Truong | Alexander L. Yarin | Filippo Pierini
Source: Zenodo (CERN European Organization for Nuclear Research) (article, 2023-09-04)
Field: Materials Science — Biomaterials

NIR-light activated core-shell electrospun nanofibers decorated with photoactive plasmonic nanoparticles for on-demand smart drug delivery applications Over the last few years, traditional drug delivery systems (DDSs) have been transformed into smart DDSs. Recent advancements in biomedical nanotechnology resulted in introducing stimuli-responsiveness to drug vehicles. Nanoplatforms can enhance drug release efficacy while reducing the side effects of drugs by taking advantage of the responses to specific internal or external stimuli. In this study, we developed an electrospun nanofibrous photo-responsive DDSs. The photo-responsivity of the platform enables on-demand elevated drug release. Furthermore, it can provide a sustained release profile and prevent burst release and high concentrations of drugs. A coaxial electrospinning setup paired with an electrospraying technique is used to fabricate core-shell PVA-PLGA nanofibers decorated with plasmonic nanoparticles. The fabricated nanofibers have a hydrophilic PVA and Rhodamine-B (RhB) core, while the shell is hydrophobic PLGA decorated with gold nanorods (Au NRs). The presence of plasmonic nanoparticles enables the platform to twice the amount of drug release besides exhibiting a long-term release. Investigations into the photo-responsive release mechanism demonstrate the system's potential as a "smart" drug delivery platform. Nanofiber ; Nanoparticle ; Nanotechnology ; Materials science ; Drug delivery ; Electrospinning ; Plasmon ; On demand ; Nanomaterials ; Optoelectronics ; Business ; Composite material ; Polymer Electrospun Nanofibers in Biomedical Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Advanced Nanomaterials in Catalysis