jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Gi Wan Jeon | Yu‐Mi Kim | Sunmog Yeo | Seock‐Jin Jeong | Sang‐Hyeon Lee | Sang‐Geul Lee | Jong Hwa Kim | Jun Mok Ha | Jaekwon Suk | In Mok Yang | Junhyeok Seo | Weon‐Sik Chae | Jong‐Soo Lee | Jun Kue Park
Source: Advanced Functional Materials (article, 2024-11-26)
Field: Materials Science — Materials Chemistry

Ion‐Beam‐Induced Biaxial Tensile Strain Engineering in Nanoscale Zinc Oxide Films on Silicon Dioxide Abstract Strain engineering is a powerful tool for adjusting the electrical and optical properties of materials, particularly in 2D materials on flexible polymer substrates. However, current strain‐engineering techniques are primarily utilized for thin 2D materials on flexible substrates, with limited research on thicker materials on traditional substrates. In this study, the enhancement in electrical properties resulting from strain effects in 30‐nm‐thick ZnO films deposited on SiO 2 wafers through N 2 ion beam irradiation is proposed. The N 2 ion beam, at an optimal energy level, induces strain in the underlying SiO 2 layer, leading to a 2.5‐fold increase in the saturation mobility and charge‐carrier density of the overlying ZnO film. Density functional theory calculations reveal that the introduction of N 2 molecules into the SiO 2 crystal induces biaxial lattice expansion, which, in turn, strains the overlying ZnO film. These findings demonstrate the effective application of strain engineering in films of relatively large thickness, even on traditional substrates. It is anticipated that this strain engineering approach using ion‐beam irradiation will significantly broaden the range of applications for strain engineering technology. Materials science ; Ultimate tensile strength ; Silicon dioxide ; Zinc ; Nanoscopic scale ; Ion ; Silicon ; Ion beam ; Composite material ; Strain (injury) ; Oxide ; Focused ion beam ; Metallurgy ; Nanotechnology ; Organic chemistry ZnO doping and properties ; Advanced Surface Polishing Techniques ; Ion-surface interactions and analysis
Authors: Mickey Vinodh | Fatemeh H. Alipour | Talal F. Al‐Azemi
Source: IUCrData (article, 2024-11-08)
Field: Chemistry — Organic Chemistry

Structural insights into 1,4-bis(neopentyloxy)pillar[5]arene and the pyridine host–guest system The crystal structure of 1,4-bis-(neopent-yloxy)pillar[5]arene, C<sub>95</sub>H<sub>140</sub>N<sub>2</sub>O<sub>10</sub> (<b>TbuP)</b>, featuring two encapsulated pyridine mol-ecules, reveals significant host-guest inter-actions. Inter-estingly, the pyridine guests are positioned near the neopent-yloxy substituents instead of the electron-rich aromatic core of the pillar[5]arene. This spatial arrangement suggests a preference for the pyridine mol-ecules to engage with the aliphatic regions of the host. Detailed analysis of the structural characteristics of this host-guest system (<b>TbuP·2Py)</b>, as well as its packing pattern within the crystal network, is presented and discussed. Pyridine ; Pillar ; Chemistry ; Crystal structure ; Molecule ; Crystallography ; Stereochemistry ; Crystal (programming language) ; Host (biology) ; Monomer ; Organic chemistry ; Polymer Supramolecular Chemistry and Complexes ; Crystallography and molecular interactions ; Metal-Organic Frameworks: Synthesis and Applications
Authors: S. Tharani | A. Prithiba
Source: Asian Journal of Chemistry (article, 2024-02-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Sustainable Synthesis of Porous Biomass-Derived Carbon from Tecoma capensis for High Performance Supercapacitors: Characterization and Electrochemical Evaluation Biowaste carbon products possess interesting physico-chemical properties and are cost-effective due to their remarkable characteristics. Biomass carbon derived from Tecoma capensis (TCL) was processed using pyrolysis at a controlled temperature in an eco-friendly, innovative and sustainable way to develop biomass-derived carbon material. The aim of this study is to demonstrate the facile synthesis of porous carbon compounds from biowaste and evaluate their use in supercapacitors. Various analytical methods, such as structural analysis, morphological studies and electrochemical studies, have been employed to characterize the carbon material generated from biomass. Electrochemical performance evaluation was conducted through cyclic voltammetry and galvanostatic charge-discharge studies utilizing 1 M H2SO4 and 1 M KOH aqueous electrolyte, which exhibited a specific capacitance of 238 F g-1. The outcomes of the studies suggested that the eco-friendly, straightforward process can be utilized to prepare biomass carbon for the electrochemical energy storage applications in an efficient and sustainable manner. Supercapacitor ; Chemistry ; Biomass (ecology) ; Characterization (materials science) ; Electrochemistry ; Carbon fibers ; Porosity ; Chemical engineering ; Nanotechnology ; Ecology ; Organic chemistry ; Composite number ; Composite material ; Materials science ; Physical chemistry ; Electrode Supercapacitor Materials and Fabrication ; Catalysis for Biomass Conversion ; Biodiesel Production and Applications
Authors: Andrei A. Teslenko | Tatiana Konstantinova | Andrey A. Bushunov | A. R. Ibragimov | Ilya A. Rodionov | Mikhail K. Tarabrin
Source: Research Square (preprint, 2024-02-21)
Field: Materials Science — Surfaces, Coatings and Films

Antireflection microstructures on ZnSe for mid- and far- IR fabricated by femtosecond laser ablation assisted with wet chemical etching <title>Abstract</title> Most infrared materials used in high-power systems, such as optical parametric generators, have high values of refractive indices, which result in high Fresnel losses. The performance of conventional antireflection coatings is limited when used in high-power and ultra-broadband systems. An alternative approach is to fabricate antireflection microstructures (ARMs) that allow for a broadband increase in transmittance without reducing the damage threshold of the material. In this work, ARMs were fabricated on the surface of ZnSe crystals using the femtosecond laser ablation assisted with wet chemical etching method. This allowed to produce high aspect ratio microstructures that increase the transmittance up to 98\% in the mid- and far- infrared regions. Femtosecond ; Materials science ; Etching (microfabrication) ; Ablation ; Isotropic etching ; Laser ; Optoelectronics ; Laser ablation ; Dry etching ; Microstructure ; Reactive-ion etching ; Optics ; Nanotechnology ; Composite material ; Engineering Optical Coatings and Gratings ; Laser Material Processing Techniques ; Near-Field Optical Microscopy
Source: International Research Journal of Modernization in Engineering Technology and Science (article, 2024-08-25)
Field: Materials Science — Polymers and Plastics

FORMULATION &amp; EVALUATION OF KETOCONOZOLE SHAMPOO Shampoo is a hair care product that is use for cleansing of hair and nourishing them and making them protective against outer environment.It removes oil, dirt, dandruff and other particles.So basically ketoconazole shampoo helps for the treatment of dandruff and fungus in the scalp which is also called as seborrhoeic dermatitis.So we have made 1 formulation and compared with the marketed formulation danfree shampoo which is marketed by cipla.With comparison with that product our product shows similar results obtained by marketed product.So we can say our product got satisfactory results and also we have compared the results obtained with available parameters, Basically the ketoconazole shampoo we examined by checking its PH, viscosity, appearance, foam ability and foam stability, surface tension measurement, stability studies, Wetting time, percentage of solid content etc. and the shampoo has been formulated using ingredients like ketoconazole [API], PVP, Sodium metabisulfite, Sodium lauryl sulphate, Stearic acid, Methyl cellulose, EDTA, sodium hydroxide, amaranth color and water.more specifically the product we formulated is sulphate free. Shampoo ; Computer science ; Chemistry ; Organic chemistry Synthesis and properties of polymers
Authors: Rajesh B. Gujar | Seraj A. Ansari | Prasanta K. Mohapatra | Willem Verboom
Source: Solvent Extraction and Ion Exchange (article, 2024-06-06)
Field: Chemistry — Inorganic Chemistry

Understanding the Role of Ligand Structure on Extraction of Neptunium by <i>N</i> -Pivot Tripodal Diglycolamides in an Ionic Liquid The extraction of Np<sup>4+</sup> was studied by a series of N-pivot tripodal diglycolamides, with varying substituents (alkyl groups with varying branching and chain length) and varying spacer length, dissolved in an ionic liquid, i.e. [C<sub>4</sub>mim][Tf<sub>2</sub>N]. Out of a series of four ligands, L<sub>I</sub> (propylene spacer) and L<sub>II</sub> (ethylene spacer) differ only in the spacer length connecting the three diglycolamide units with the tripodal N platform. While L<sub>II</sub>–L<sub>IV</sub> have the same spacer length (ethylene spacer), but L<sub>II</sub> has a hydrogen atom, L<sub>III</sub> has methyl group, and L<sub>IV</sub> has isopropyl group as a substituent at the amidic N atom close to the central N atom. A reversal extraction mechanism of Np<sup>4+</sup> was observed when the spacer chain length reduced from a propylene group in L<sub>I</sub> to an ethylene group in L<sub>II</sub>–L<sub>IV</sub>. While a cation-exchange mechanism was observed in case of L<sub>I</sub>, a solvation extraction mechanism was seen for the other three ligands with the extracted species being Np(NO<sub>3</sub>)<sub>2</sub>(L)<sup>2+</sup> for L<sub>I</sub>, and [Np(NO<sub>3</sub>)<sub>4</sub>·L] for L<sub>II</sub>–L<sub>IV</sub>. The extraction efficiencies of Np<sup>4+</sup> with L<sub>II</sub>–L<sub>IV</sub> were significantly affected by the nature of the alkyl substituents and follow the order: L<sub>II</sub> &gt; L<sub>III</sub> &gt; L<sub>IV</sub>. This trend in the extraction pattern affirms that the alkyl substitution at the amidic N atom creates steric strain in the ligand while complexing with the metal ion. Chemistry ; Ionic liquid ; Alkyl ; Substituent ; Ligand (biochemistry) ; Ionic radius ; Crystallography ; Isopropyl ; Extraction (chemistry) ; Medicinal chemistry ; Stereochemistry ; Organic chemistry ; Ion Radioactive element chemistry and processing ; Chemical Synthesis and Characterization ; Ionic liquids properties and applications
Authors: Dolly Taparia | Taisuke Sasaki | Tomoya Nakatani | Hirofumi Suto | Seiji Mitani | Yuya Sakuraba
Source:  (preprint, 2024-05-14)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Growth of [001]-oriented polycrystalline Heusler alloy thin films using [001]-textured Ag buffer layer on thermally oxidized Si substrate for spintronics applications To utilize half-metallic Heusler alloys in practical spintronic devices, such as magnetic sensors and magnetic memories, the key is to realize highly textured and structurally ordered polycrystalline thin films. In this study, we fabricated polycrystalline Co2FeGa0.5Ge0.5 (CFGG) Heusler alloy films deposited on a [001]-oriented Ag buffer layer, which was achieved by introducing N2 into Ar during the sputtering process, on a thermally oxidized Si substrate. We obtained strongly [001]-oriented CFGG films with B2 ordering and a high saturation magnetization close to the theoretical value, which can provide highly spin-polarized electric and spin current sources in spintronic devices with industrial viability. Spintronics ; Materials science ; Crystallite ; Substrate (aquarium) ; Layer (electronics) ; Alloy ; Buffer (optical fiber) ; Optoelectronics ; Thin film ; Metallurgy ; Condensed matter physics ; Nanotechnology ; Ferromagnetism ; Computer science ; Telecommunications ; Physics Heusler alloys: electronic and magnetic properties ; Semiconductor materials and interfaces
Authors: Yue Yu | Han-Gyeol Suh | Mercè Roig | D. F. Agterberg
Source: arXiv (Cornell University) (preprint, 2024-02-07)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Altermagnetism from coincident Van Hove singularities: application to $κ$-Cl Realizing two-dimensional (2D) altermagnets is important for spintronics applications. Here we propose a microscopic template for stabilizing 2D altermagnetism through Van Hove singularities that are coincident in both energy and momentum. These coincident Van Hove singularities are a generic consequence of non-symmorphic symmetries in nine 2D space groups. Due to nontrivial symmetry properties of the Hamiltonian, these coincident Van Hove singularities allow new hopping interactions between the Van Hove singularities that do not appear in analogous Van Hove singularity based patch models for cuprates and graphene. We show these new interactions can give rise to various weak coupling, and BCS-based instabilities, including altermagnetism, nematicity, inter-band d-wave superconductivity, and orbital altermagnetic order. We apply our results to quasi-2D organic $κ$-Cl in which altermagnetism is known to appear. Gravitational singularity ; Kappa ; Political science ; Van Hove singularity ; Physics ; Mathematics ; Quantum mechanics ; Geometry Magnetism in coordination complexes ; Magnetic properties of thin films
Authors: Yusuke Asakuma | Yusuke Watanabe | Anita Hyde | Chi M. Phan
Source: Molecules (article, 2024-08-02)
Field: Chemistry — Analytical Chemistry

Optimisation of Interfacial Modification by Two-Stage Microwave Irradiation Microwave-assisted de-emulsification is attractive in the processes of petroleum production and refining. The main advantage of microwaves is their direct influence on the surfactant layer at the oil/water interface. Previously, an effective interfacial modification was demonstrated by pulsed microwave irradiation. However, the effect of the modification diminished during the off interval of the pulse irradiation. In this study, two-stage microwave irradiation with different powers and durations was applied as a method to maintain an interfacial effect. The power of the second stage was changed to optimise the modification. Quick modification was obtained by high-power irradiation followed by low-power irradiation. It was confirmed a sustained modification was maintained by a moderate power of the second irradiation. This observation indicates a re-adsorption or re-structure process after the first irradiation is suppressed by the second irradiation. The results open new opportunities to optimise microwave operation in oil/water systems. Irradiation ; Microwave irradiation ; Materials science ; Microwave ; Surface modification ; Microwave power ; Adsorption ; Chemical engineering ; Chemistry ; Computer science ; Organic chemistry Petroleum Processing and Analysis ; Minerals Flotation and Separation Techniques ; Metal Extraction and Bioleaching
Authors: Mark A. Reed | Prashant S. Deore
Source: Synfacts (article, 2024-09-13)
Field: Chemistry — Organic Chemistry

Substituent-Directed Cycloisomerization Reduction Cascade for Synthesizing Oxacycles Cycloisomerization ; Chemistry ; Substituent ; Cascade ; Reduction (mathematics) ; Stereochemistry ; Combinatorial chemistry ; Organic chemistry ; Catalysis Oxidative Organic Chemistry Reactions ; Catalytic Alkyne Reactions ; Synthetic Organic Chemistry Methods
Authors: Eunjung Kim | Hyewon Han | Wan Pyo Hong | Chung Whan Lee
Source: Asian Journal of Organic Chemistry (article, 2024-06-26)
Field: Materials Science — Materials Chemistry

Facile Preparation of A−D−A Type Through‐Space Charge Transfer Molecules Utilizing Indoloindoles Abstract This study presents a straightforward synthetic pathway for the preparation of through‐space charge transfer (TSCT) molecules, utilizing an IDID core as the donor, connected to double bridges. The IDID core, known for its enhanced donor properties, incorporates two sites that facilitate a concise synthetic approach for the introduction of bridges in the acceptor‐donor‐acceptor design. Computational studies played a pivotal role in guiding our design, predicting favorable energy levels and TSCT characteristics. Experimental validation of TSCT characteristics was achieved through measurements of photophysical properties. Chemistry ; Space (punctuation) ; Charge (physics) ; Molecule ; Nanotechnology ; Transfer (computing) ; Chemical space ; Combinatorial chemistry ; Chemical physics ; Organic chemistry ; Quantum mechanics ; Physics ; Drug discovery Luminescence and Fluorescent Materials ; Porphyrin and Phthalocyanine Chemistry ; Synthesis and Properties of Aromatic Compounds
Authors: Linnéa Andersson | Michiel Sprik | Jürg Hutter | Chao Zhang
Source: ChemRxiv (preprint, 2024-07-19)
Field: Chemistry — Electrochemistry

Electronic response and charge inversion at polarized gold electrode Publication status: Published Helmholtz free energy ; Capacitance ; Electrode ; Electrolyte ; Electric field ; Materials science ; Polarization (electrochemistry) ; Anode ; Adsorption ; Condensed matter physics ; Density functional theory ; Chemical physics ; Physics ; Chemistry ; Thermodynamics ; Quantum mechanics ; Physical chemistry Electrochemical Analysis and Applications ; Electrocatalysts for Energy Conversion ; Electrodeposition and Electroless Coatings
Authors: Madhavi Arram | Medidi Srinivas | Gupta Niraj
Source: International Journal of Zoological Investigations (article, 2024-01-01)
Field: Chemistry — Analytical Chemistry

Development and Validation of Simplified RP-HPLC Method for Quantification of Trelagliptin in Tablet Dosage Form: Greenness Analysis using AGREE Penalties A simple and sensitive analytical method was developed to quantify the trelagliptin in tablet formulation.The analyte was separated on a Zorbax Eclipse XDB C18 column" (dimensions: 150 mm 4.6 mm, 5 m) using a mobile phase of HPLC grade water and methanol (40:60 % v/v) pumped at 1.0 ml/min.Detection of the effluent was done using a UV detector at a wavelength of 225 nm.The retention time for trelagliptin was 4.925 min.The drug showed linearity within the concentration range of 7.5-45 g/ml.The accuracy of the method was considered satisfactory and the mean recovery percentage in the acceptable range of 99.4-100.2%.The method was successfully validated according to ICH guidelines.The AGREE software was used to assess the environmental friendliness score of the proposed method, which was determined to be 0.8.The proposed method was simple, precise, sensitive, rapid, and robust for estimating trelagliptin in tablets. Chromatography ; Dosage form ; Chemistry Analytical Methods in Pharmaceuticals ; Analytical Chemistry and Chromatography ; Multicomponent Synthesis of Heterocycles
Authors: Shiva Iyer | Changyu Yao | Olivia Lazorik | Md Shakil Bin Kashem | Pengyun Wang | Gianna Glenn | Michael Allen Mohs | Yinyao Shi | Michael Mansour | Erik Henriksen | Kater Murch | Shankar Mukherji | Chong Zu
Source: PubMed (preprint, 2024-11-20)
Field: Materials Science — Materials Chemistry

Optically-Trapped Nanodiamond-Relaxometry Detection of Nanomolar Paramagnetic Spins in Aqueous Environments. Probing electrical and magnetic properties in aqueous environments remains a frontier challenge in nanoscale sensing. Our inability to do so with quantitative accuracy imposes severe limitations, for example, on our understanding of the ionic environments in a diverse array of systems, ranging from novel materials to the living cell. The Nitrogen-Vacancy (NV) center in fluorescent nanodiamonds (FNDs) has emerged as a good candidate to sense temperature, pH, and the concentration of paramagnetic species at the nanoscale, but comes with several hurdles such as particle-to-particle variation which render calibrated measurements difficult, and the challenge to tightly confine and precisely position sensors in aqueous environment. To address this, we demonstrate relaxometry with NV centers within optically-trapped FNDs. In a proof of principle experiment, we show that optically-trapped FNDs enable highly reproducible nanomolar sensitivity to the paramagnetic ion, (\mathrm{Gd}^{3+}). We capture the three distinct phases of our experimental data by devising a model analogous to nanoscale Langmuir adsorption combined with spin coherence dynamics. Our work provides a basis for routes to sense free paramagnetic ions and molecules in biologically relevant conditions. Paramagnetism ; Nanodiamond ; Relaxometry ; Aqueous solution ; Materials science ; Chemical physics ; Ion ; Nanoscopic scale ; Nanotechnology ; Chemistry ; Physics ; Condensed matter physics ; Physical chemistry ; Organic chemistry Diamond and Carbon-based Materials Research ; Analytical Chemistry and Sensors
Authors: Yiwen He | Mattheus De Souza | Tian‐Yi Luo | Siddarth K. Achar | J. Karl Johnson | Nathaniel L. Rosi
Source: Angewandte Chemie (article, 2024-07-24)
Field: Chemistry — Inorganic Chemistry

Leveraging Ligand Steric Demand to Control Ligand Exchange and Domain Composition in Stratified Metal–Organic Frameworks Abstract Incorporating diverse components into metal–organic frameworks (MOFs) can expand their scope of properties and applications. Stratified MOFs (sMOFs) consist of compositionally unique concentric domains (strata), offering unprecedented complexity through partitioning of structural and functional components. However, the labile nature of metal‐ligand coordination handicaps achieving compositionally distinct domains due to ligand exchange reactions occurring concurrently with secondary strata growth. To achieve complex sMOF compositions, characterizing and controlling the competing processes of new strata growth and ligand exchange are vital. This work systematically examines controlling ligand exchange in UiO‐67 sMOFs by tuning ligand sterics. We present quantitative methods for assessing and visualizing the outcomes of strata growth and ligand exchange that rely on high‐angle annular dark‐field images and elemental mapping via scanning transmission electron microscopy‐energy dispersive X‐ray spectroscopy. In addition, we leverage ligand sterics to create ‘blocking layers’ that minimize ligand exchange between strata which are particularly susceptible to ligand exchange and inter‐strata ligand mixing. Finally, we evaluate strata compositional integrity in various solvents and find that sMOFs can maintain their compositions for &gt;12 months in some cases. Collectively, these studies and methods enhance understanding and control over ligand placement in multi‐domain MOFs, factors that underscore careful tunning of properties and function. Steric effects ; Ligand (biochemistry) ; Chemistry ; Metal-organic framework ; Composition (language) ; Domain (mathematical analysis) ; Kinetic control ; Combinatorial chemistry ; Stereochemistry ; Organic chemistry ; Receptor ; Catalysis ; Biochemistry ; Mathematics Metal-Organic Frameworks: Synthesis and Applications
Authors: Daniel H. Cruz Neto | Philipp Gotico | Mai T.T. Tran | Caroline Szantai | Zakaria Halime | Marie Sircoglou | Juan Soto | Karine Steenkeste | Daniel Peláez | Thomas Pino | Minh‐Huong Ha‐Thi
Source: New Journal of Chemistry (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Tracking photoinduced charge separation in a perfluorinated Zn-tetraphenylporphyrin sensitizer A zinc porphyrin photosensitizer (ZnF 20 ) is investigated for photoinduced charge separation with different electron donors. Probes of optical light absorption and resonance Raman scattering are used to track the evolution of transient species. Chemistry ; Photoinduced charge separation ; Photochemistry ; Porphyrin ; Photosensitizer ; Tetraphenylporphyrin ; Zinc ; Charge (physics) ; Raman spectroscopy ; Raman scattering ; Ultrafast laser spectroscopy ; Absorption (acoustics) ; Visible spectrum ; Optoelectronics ; Optics ; Catalysis ; Photocatalysis ; Laser ; Organic chemistry ; Artificial photosynthesis Porphyrin and Phthalocyanine Chemistry ; Luminescence and Fluorescent Materials ; Photochromic and Fluorescence Chemistry