jablonkagroup/rise_ai_scientists huggingface dataset:
Source: Indian Journal of Engineering and Materials Sciences (article, 2020-01-01)
Field: Materials Science — Materials Chemistry

Ultra-violet responsive photocatalytic application of CuO/Bi oxide nitrate hydroxide hydrate powder A new photocatalyst CuO/Bi oxide nitrate hydroxide hydrate (C-BONH) has been synthesized by hydrothermal method. The obtained product has been characterized using x-rays diffraction (XRD), fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDS). The surface area has been measured by Brunauer-Emmett-Teller (BET) method, and it has been found 4.42 m 2 g –1 . The photocatalytic activity has been evaluated by removal of reactive blue 19 (RB 19) dye, where total decolorization has been achieved in less than 15 minutes. The photocatalytic process is described with four kinetic models (Langmuir‒Hinshelwood model, pseudo-first order kinetic model, pseudo-second order kinetic model and Chrastil diffusion model). Langmuir‒Hinshelwood kinetic model and pseudo-first order kinetic model the best describe the photocatalytic process. Chrastil diffusion model has been shown that diffusion has not any influence on the process. The chemical oxygen demand (COD) has been decreased from 28.1 to 6.82 mg dm –3 within 180 minusing UV light (254 nm wavelength). It has been observed that photocatalyst retained its stability and activity even after five cycles, which could significantly reduce the operation cost in practical applications. Photocatalysis ; Hydroxide ; Chemistry ; Scanning electron microscope ; Hydrate ; Fourier transform infrared spectroscopy ; Diffusion ; Nuclear chemistry ; Spectroscopy ; Inorganic chemistry ; Analytical Chemistry (journal) ; Materials science ; Chemical engineering ; Catalysis ; Organic chemistry Copper-based nanomaterials and applications
Authors: Alberto Anadón | R. Guerrero | J. A. Jover-Galtier | Adrián Gudín | José Manuel Díez | Pablo Olleros-Rodríguez | Rodolfo Miranda | Julio Camarero | Paolo Perna
Source: arXiv (Cornell University) (preprint, 2020-03-17)
Field: Materials Science — Materials Chemistry

Experimental evidence of spin-orbit torque from metallic interfaces Spin currents can modify the magnetic state of ferromagnetic ultrathin films through spin-orbit torque. They may be generated by means of spin-orbit interaction by either bulk or interfacial phenomena. Electrical transport measurements reveal a six-fold increase of the spin-orbit torque accompanied by a drastic reduction of the spin Hall magnetoresistance upon the introduction of a Cu interlayer in a Pt/Cu/Co/Pt structure with perpendicular magnetic anisotropy. We analyze the dependence of the spin Hall magnetoresistance with the thickness of the interlayer in the frame of a drift diffusion model that provides information on the expected spin currents and spin accumulations in the system. The results demonstrate that the major responsible of both effects is spin memory loss at the interface. The enhancement of the spin-orbit torque when introducing an interlayer opens the possibility to design more effient spintronic devices based on materials that are cheap and abundant such as copper. Condensed matter physics ; Spintronics ; Magnetoresistance ; Spin (aerodynamics) ; Ferromagnetism ; Spin diffusion ; Spin Hall effect ; Materials science ; Torque ; Orbit (dynamics) ; Spin–orbit interaction ; Spin polarization ; Physics ; Magnetic field ; Electron ; Engineering ; Quantum mechanics Chemical and Physical Properties of Materials ; Metallurgical and Alloy Processes ; Transition Metal Oxide Nanomaterials
Authors: Anjali Awasthi | Muzaffar Iqbal | Sakshi Batra | Ankit Arya | Dipaloy Datta
Source: Zenodo (CERN European Organization for Nuclear Research) (article, 2020-10-01)
Field: Materials Science — Materials Chemistry

Ultrasonication Assisted Removal of an Anionic Dye Using Solvent Impregnated Resin: Response Surface Methodology Optimization Department of Chemical Engineering, Malaviya National Institute of Technology, Jaipur, Rajasthan - 302017, India E-mail: dipaloy@gmail.com, dipaloy.chem@mnit.ac.in <em>Manuscript received online 11 July 2020, revised and accepted 08 October 2020</em> Textile industries create a critical marine living situation as most unfixed dyes dumped as an effluent without further dye-fixing treatment.In this work, methyl orange dye was removed from the aqueous solution by ultrasonication processusingAmberlite XAD-7HP resin impregnated with Aliquat-336. The experiments were designed bycentral composite designof response surface methodology. A regression model was proposed. Operating parameters were optimized, and at optimum conditions, the dye removal efficiencies were 98.57% (experimental) and 99.94% (predicted). Kinetic studies were performedat optimum conditions and intra-particle diffusion model fitted the kinetic data. Sonication ; Response surface methodology ; Solvent ; Chemical engineering ; Materials science ; Chemistry ; Chromatography ; Organic chemistry Ultrasound and Cavitation Phenomena
Authors: Anjali Awasthi | Muzaffar Iqbal | Sakshi Batra | Ankit Arya | Dipaloy Datta
Source: Zenodo (CERN European Organization for Nuclear Research) (article, 2020-10-01)
Field: Materials Science — Materials Chemistry

Ultrasonication Assisted Removal of an Anionic Dye Using Solvent Impregnated Resin: Response Surface Methodology Optimization Department of Chemical Engineering, Malaviya National Institute of Technology, Jaipur, Rajasthan - 302017, India E-mail: dipaloy@gmail.com, dipaloy.chem@mnit.ac.in Manuscript Received online 7/13/2020, Accepted 10/5/2020 Textile industries create a critical marine living situation as most unfixed dyes dumped as an effluent without further dye-fixing treatment.In this work, methyl orange dye was removed from the aqueous solution by ultrasonication processusingAmberlite XAD-7HP resin impregnated with Aliquat-336. The experiments were designed bycentral composite designof response surface methodology. A regression model was proposed. Operating parameters were optimized, and at optimum conditions, the dye removal efficiencies were 98.57% (experimental) and 99.94% (predicted). Kinetic studies were performedat optimum conditions and intra-particle diffusion model fitted the kinetic data. Sonication ; Response surface methodology ; Solvent ; Chemical engineering ; Chemistry ; Materials science ; Chromatography ; Organic chemistry ; Engineering Ultrasound and Cavitation Phenomena
Authors: Leandro Scorsin | Leticia Martins | Haidi D. Fiedler | Faruk Nome | René A. Nome
Source: ChemRxiv (preprint, 2020-09-14)
Field: Chemistry — Physical and Theoretical Chemistry

Time-Resolved Study of Light-Induced Ground State Proton Transfer from Acid Medium to 4-Nitrophenolate In the present work, we study the transient laser-induced formation of 4-nitrophenolate (4-NPO&lt;sup&gt;-&lt;/sup&gt;) in the ground electronic state and subsequent proton transfer reaction with acetic acid and water with numerical calculations and laser flash photolysis. We employ the Debye-Smoluchowski spherically-symmetric diffusion model of photoacid proton transfer to determine experimental conditions for studying thermally activated chemical reactions in the ground electronic state. Numerically calculated protonation and deprotonation probabilities for 4-NPO&lt;sup&gt;-&lt;/sup&gt; and 4-nitrophenol (4-NPOH) in both ground and excited states showed the feasibility of efficiently producing the ground state anion in the photoacid cycle. We performed laser flash photolysis measurements of 4-NPOH to characterize the photo-initiated ground state protonation and deprotonation rate constants of 4-NPO&lt;sup&gt;-&lt;/sup&gt;/4-NPOH as a function of acetic acid, pH, temperature and viscosity. Overall, the work presented here shows a simple way to study fast competing bimolecular proton transfer reactions in non-equilibrium conditions in the ground electronic state &lt;i&gt;(GSPT)&lt;/i&gt;. Deprotonation ; Flash photolysis ; Protonation ; Ground state ; Chemistry ; Proton ; Excited state ; Photodissociation ; Photochemistry ; Acetic acid ; Reaction rate constant ; Atomic physics ; Ion ; Kinetics ; Physics ; Organic chemistry Photochemistry and Electron Transfer Studies ; Advanced Photocatalysis Techniques ; Electrochemical Analysis and Applications
Authors: Kovo G. Akpomie | Soumya Ghosh | Marieka Gryzenhout | Jeanet Conradie
Source: Research Square (preprint, 2020-12-09)
Field: Materials Science — Biomaterials

One-Pot Synthesis of Zinc Oxide Nanoparticle for Bromophenol Blue Adsorption and Its Antifungal Activity Against Filamentous Fungi Abstract Zinc oxide nanoparticles (ZnONP) have gained attention in recent years due to their multifunctional uses, potent adsorptive potential and effective antifungal activities. Despite these desirable characteristics, ZnONP has not been used for the adsorption of bromophenol blue (BRB) and tests as antifungal agents against certain important filamentous fungal strains have been limited. In this research, ZnONP was prepared via a facile one-pot synthetic approach and applied in the adsorption of BRB and as an antifungal agent against the filamentous fungi and plant pathogens; Alternaria alternata CGJM3078, Alternaria alternata CGJM3006 and Fusarium verticilliodes CGJM3823. The ZnONP was characterized by the UV, FTIR, XRD, TGA, BET, SEM, TEM, and EDX techniques, which showed efficient synthesis. The characteristics ZnO UV absorption band was observed at 375 nm, while the XRD showed an average ZnONP crystalline size of 47.2 nm. The SEM and TEM images showed an irregular shaped and aggregated porous structure of 65.3 nm average-sized ZnONPs. The Freundlich, pseudo-second-order, and intra-particle diffusion models showed R 2 &gt; 0.9494 and SSE &lt; 0.7412, thus, exhibited the best fit to the isotherm and kinetics of adsorption. Adsorption thermodynamics revealed feasible, endothermic, random, and spontaneous adsorption of BRB onto the synthesized ZnONPs. The antifungal assay conducted, depicted strong antifungal activities against all three tested fungal cultures. A model was proposed on what causes this antifungal effect. This research demonstrated the potent use of ZnONP for the adsorption of BRB and as effective antifungal agents. Alternaria alternata ; Adsorption ; Nuclear chemistry ; Zinc ; Chemistry ; Freundlich equation ; Antifungal ; Materials science ; Microbiology ; Organic chemistry ; Biology ; Botany Nanocomposite Films for Food Packaging ; Conducting polymers and applications ; Polydiacetylene-based materials and applications
Authors: F. Kh. Mirzade | Rinad Seidgazov
Source:  (article, 2020-05-26)
Field: Materials Science — Materials Chemistry

Combined effects of surface stress and strain gradient on instability of laser-excited solid ultra-thin films Coupled diffusion-mechanical processes play a vital role in surface laser modification technologies. This article proposes an analytical coupled deformation-diffusion model for the dynamics of disorder carriers (atomic point defects) to study the effects of the surface elastic properties and the strain gradients on the instability of a laser-excited solid film with a nano-scale thickness. Dispersion relation of the diffusion-flexural instability (DFI) is obtained and analyzed. It is shown that the analysis, which simultaneously includes the surface elasticity, nonlocal second and fourth order strain gradient effects as well as the bending of the surface layer due-to normal and lateral defect-induced forces, gives two maxima on the instability growth rate curve at sufficiently far above the instability threshold. On the contrary, the growth rate has a single maximum if the excess of the instability threshold is insignificant. The proposed model predicts the dependence of the nano-relief period on the film thickness, the properties of the energy source and material properties. The effect of the process of clustering of atomic defects due to DFI on local or periodic peeling of deposited elastic layers on the substrate is also considered. Materials science ; Instability ; Strain rate ; Composite material ; Surface diffusion ; Elasticity (physics) ; Stress (linguistics) ; Diffusion ; Condensed matter physics ; Mechanics ; Thermodynamics ; Chemistry Nonlocal and gradient elasticity in micro/nano structures ; Thermoelastic and Magnetoelastic Phenomena ; Composite Structure Analysis and Optimization
Authors: Leandro Scorsin | Leticia Martins | Haidi D. Fiedler | Faruk Nome | René A. Nome
Source: ChemRxiv (preprint, 2020-09-14)
Field: Chemistry — Physical and Theoretical Chemistry

Time-Resolved Study of Light-Induced Ground State Proton Transfer from Acid Medium to 4-Nitrophenolate In the present work, we study the transient laser-induced formation of 4-nitrophenolate (4-NPO-) in the ground electronic state and subsequent proton transfer reaction with acetic acid and water with numerical calculations and laser flash photolysis. We employ the Debye-Smoluchowski spherically-symmetric diffusion model of photoacid proton transfer to determine experimental conditions for studying thermally activated chemical reactions in the ground electronic state. Numerically calculated protonation and deprotonation probabilities for 4-NPO- and 4-nitrophenol (4-NPOH) in both ground and excited states showed the feasibility of efficiently producing the ground state anion in the photoacid cycle. We performed laser flash photolysis measurements of 4-NPOH to characterize the photo-initiated ground state protonation and deprotonation rate constants of 4-NPO-/4-NPOH as a function of acetic acid, pH, temperature and viscosity. Overall, the work presented here shows a simple way to study fast competing bimolecular proton transfer reactions in non-equilibrium conditions in the ground electronic state (GSPT). Deprotonation ; Flash photolysis ; Protonation ; Ground state ; Chemistry ; Proton ; Photochemistry ; Excited state ; Photodissociation ; Reaction rate constant ; Atomic physics ; Ion ; Organic chemistry ; Kinetics ; Physics Photochemistry and Electron Transfer Studies ; Electrochemical Analysis and Applications ; Advanced Photocatalysis Techniques
Authors: Zhongliang Xiao | Q. Liu | Chao Zeng | Daoxin Wu | Liubin Song | Zhong Cao | Ya‐Chi Huang
Source: Protection of Metals and Physical Chemistry of Surfaces (article, 2020-09-01)
Field: Chemistry — Organic Chemistry

Thermal Decomposition Kinetic Analysis and Performance Characterization of Low Dk/Df Ink based on Polyurethane Acrylate Thermal analysis and Fourier transform infrared spectroscopy were used to investigate the thermal stability of two low-dielectric constant (Dk)/dielectric loss (Df) inks based on polyurethane acrylate. According to Arrhenius law, the Flynn–Wall–Ozawa method was used to calculate the apparent activation energy (as the standard apparent activation energy E0) of the ink film at weight loss rates were 10, 50 and 70% for the evaluation of its thermal aging performance. Results show that the activation energy of the ink compounded with acrylic fluorocarbon resin and polyurethane acrylate is relatively high. The Aehar–Brindey–Sharp–Wend–Worth differential method was used to analyze the most probable mechanism function of the ink film layer. The first, second, and third segments of the thermal decomposition temperature of the ink film are speculated to range from 126 to 247°C, from 247 to 384°C (follows the 3d diffusion model, and from 384 to 508°C (third-order chemical reaction), respectively. This article provides theoretical reference for the formulation design of 5G ink from the perspective of thermal decomposition mechanism and thermal stability. Activation energy ; Materials science ; Thermal stability ; Acrylate ; Polyurethane ; Thermal decomposition ; Arrhenius equation ; Thermal analysis ; Fourier transform infrared spectroscopy ; Polymer chemistry ; Chemical engineering ; Composite material ; Thermal ; Polymer ; Chemistry ; Physical chemistry ; Thermodynamics ; Copolymer ; Organic chemistry Photopolymerization techniques and applications ; Epoxy Resin Curing Processes ; Dyeing and Modifying Textile Fibers
Authors: Saismrutiranjan Mohanty | Sanjib Moulick | Sanjoy Kumar Maji
Source: Zenodo (CERN European Organization for Nuclear Research) (article, 2020-04-01)
Field: Chemistry — Analytical Chemistry

Adsorption/photodegradation of Congo Red on TNT surfaces: A kinetic study Department of Chemistry, bSchool of Civil Engineering, KIIT Deemed to be University, Bhubaneswar-751 024, Odisha, India <em>E-mail</em>: saismruti1994@gmail.com, smoulickfce@kiit.ac.in, maji.sanjoy@gmail.com <em>Manuscript received online 20 December 2019, accepted 14 March 2020</em> Hydrothermally synthesized titanate nanotubes (TNTs) were characterized and applied to remove Congo Red (CR) from synthetic as well as from the spiked tap and pond water under the optimized conditions at room temperature. Experimental results suggested that applying hydrothermally synthesized TNT at a dose of 4 g/L can remove to the tune of ~98% CR from the contaminated water medium with an initial concentration of 6 mg/L within 5.75 h. Removal followed both adsorption (0.75 h, removed ~86%) and photodegradation (5.0 h, ~98% final). The adsorptive capacity of TNT was found to be 12.04 mg/g from Langmuir isotherm with physical adsorption from D-R isotherm, favorable (R<sub>L </sub>) and non spontaneous (<strong>∆</strong>Gº). Adsorption process followed pseudo-second order reaction model better than other three models. Like metals or metalloids, adsorption of CR did not follow either film diffusion or pore diffusion model. Study was also conducted to examine the effects of presence of coexisting ions in the removal of CR at different pH of media. Adsorption/degradation mechanism was proposed. Photodegradation ; Congo red ; Adsorption ; Kinetic energy ; Chemistry ; Chemical engineering ; Nuclear chemistry ; Catalysis ; Organic chemistry ; Photocatalysis ; Physics ; Engineering Dye analysis and toxicity ; Melamine detection and toxicity
Authors: Jonas Chodorski | Jan Hauth | Andreas Wirsen | Roland Ulber
Source:  (article, 2020-07-27)
Field: Materials Science — Biomaterials

Morphological and diffusional changes in L. lactis biofilms &amp;lt;p&amp;gt;Through their special way of life, biofilms have several advantages over organisms in planktonic growth. By being surface-attached and producing a mass of extracellular polymeric substances (EPS), microorganisms possess inherent self-immobilization, which decreases the expenditure of downstream processing in industrial applications. Furthermore, they are more resilient against environmental stress and toxic substances, such as antibiotics. An important factor here is diffusion, of substrate into the biofilm and metabolites through and out of the biofilm; however, these mechanisms are still poorly understood. By utilizing a specially developed diffusion model and CLSM FRAP microscopy, diffusion constants in the living, fully hydrated biofilm of &amp;lt;em&amp;gt;L. lactis&amp;lt;/em&amp;gt; during development can be assessed. With it, heatmaps of diffusional constants and finally a diffusion profile encompassing a true 3D space of the living biofilm in growth can be generated. With those, possible hotspots and changes of diffusion inside the biofilm structure with regard to changing cultivation conditions and the substratum can be identified, thus furthering our understanding of diffusion in biofilms and how they react to their environment.&amp;lt;/p&amp;gt; &amp;lt;p&amp;gt;The project is funded by the DFG (UL 170/14-1) and the collaborative research center (SFB) 926 on &amp;amp;#8220;microscale morphology of component surfaces&amp;amp;#8221; (MICOS).&amp;lt;/p&amp;gt; Biofilm ; Diffusion ; Extracellular polymeric substance ; Chemistry ; Microscale chemistry ; Biophysics ; Extracellular ; Chemical engineering ; Microbiology ; Bacteria ; Biology ; Biochemistry ; Thermodynamics Diatoms and Algae Research
Authors: Shorouk Shawky | Nasser H. Shalaby | Dalia Abd El-Hafiz | Said | Maher | Helmy Helal | Sahar K. Mohamed | K Zhu | Y Du | X Wu | X You | Y He | Y Qu | ; Z Jing | Z Shan | H Schmidt | E Geiter | M Mennig | H Krug | C Becker | R Winkler | Z Fu | G Zhang | Z Tang | H Zhang | S Kumar | M Malik | R Purohit | A El-Toni | M Habila | P Labis | J Labis | Z Alothman | M Alhoshan | A Elzatahry | F Zhangg | X Li | Y Zhang | Z Liu | Q Liu | B Li | G Zhu | K Dai | B Jankiewicz | D Jamiola | ; Choma | M Jaroniec | J Liu | S Qiao | Q Hu | G Lu | M Priebe | K Fromm | T Yang | R Zhou | D Wang | S Jiang | Y Yamauchi | M Monteiro | M Liu | B Su | Y Tang | X Jiang | A Yu | U Arellano | Z Wang | L Chen | J Wang | M Asomoza | A Estrella | A Nanoti | S Dasgupta | ; Goswami | B Nautiyal | T Rao | B Sain | Y Sharma | S Nanoti | M Garg | P Gupta | M Safa | R Al-Majren | ; Al-Shamary | ; Park | X Ma | Y Han | C Xu | C Hsu | Y Tavan | M Shahrokhi | F Farhadi | J Campos-Martin | M Capel-Sanchez | ; Perez-Presas | J Fierro | A Ishihara
Source: Egyptian Journal of Applied Science (article, 2020-10-01)
Field: Materials Science — Materials Chemistry

PREPARATION OF V2O5 @MESOPOROUS SILICA SPHERE FOR NOVEL DUAL OXIDATIVEADSORPTIVE DESULFURIZATION V2O5 nanoparticles were supported on mesoporous silica spheres(V2O5/MSS) by impregnation technique. Where mesoporous silica sphere(MSS) was synthesized via micelle-template method. The structure andmorphology were tested using XRD, FTIR, BET surface area, TEM, and DLStechniques. The results demonstrated that the samples were amorphous with amesoporous structure, special interior spaces, and high specific surface area.The prepared sample was tested for duel oxidative/adsorptive performance ofmodel diesel fuel. The desulfurization process was tested in the presence ofH2O2 as an oxidizing agent at different reaction conditions (temperature, contacttime, and initial concentration) using a batch system by either stirring orultrasonic. The data indicate that V2O5/MSS shows good performance towardduel oxidative/adsorptive desulfurization with 100% removal efficiency undersonication within 1.5h but in stirring within 2h at 60oC using 600 ppm initialconcentration. Flue-gas desulfurization ; Dual (grammatical number) ; Mesoporous silica ; Mesoporous material ; Materials science ; Chemical engineering ; Chemistry ; Organic chemistry ; Catalysis ; Art ; Engineering Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Catalysis and Hydrodesulfurization Studies