A presentation for reduced extended affine weyl groups

In 1985 K. Saito [Sal] introduced the concept of an extended affine Weyl group (EAWG), the Weyl group of an extended affine root system (EARS). In [A2, Section 5J, we gave a presentation called “a presentation by conjugation” for the class of EAWGs of index zero, a subclass of EAWGs. In this paper we will give a presentation wh.ich we call a “generalized present.ation by conjugation” for the class of reduced EAWGs. If the extended affine Weyl group is of index zero this presentation reduces to “a presentation by conjugation”. Our main result states that when the nullity of the EARS is 2, these two presentations coincide that is, EAWGs of nullity 2 have “a presentation by conjugation”. In [ST] another presentation for EAWGs of nullity 2 is given.     

Preparation of magnetically recoverable Fe3O4–graphene oxide catalyst by green method and its application for reduction of nitropyrimidine in aqueous medium

Research on Chemical Intermediates - Magnetic graphene oxide (GO)/amino-functionalized Fe3O4 nanocomposite was prepared using tannic acid as binder. For this purpose, Fe3O4 nanoparticles were...     

Theoretical Prediction of Adsorption Properties of Carmustine Drug on Various Sites of the Outer Surface of the Single-Walled Boron Nitride Nanotube and Investigation of Urea Effect on Drug Delivery by DFT and MD

In this work, the adsorption behavior of Carmustine (BCNU) drug over the (6,0) zigzag single-wall boron nitride nanotube (SWBNNT) is studied by means of density functional theory calculations and molecular dynamics simulations (MD). The calculated adsorption energies proved that the adsorption of BCNU molecule on SWBNNT is a physisorption process. The natural bond orbital calculations demonstrated that existence of a charge transfer from the SWBNNT to the BCNU molecule. Moreover, quantum theory of atoms in molecules showed that the hydrogen bonds and electrostatic interactions are two major factors contributed to the overall stabilities of the complexes. Furthermore, interaction of BCNU with the surface of single wall BNNT at 310 K and 1 bar in the present of water and different concentration of Urea molecules has been studied by MD simulation. The MD results confirm that the highest number of hydrogen bond and the lowest value of Lennard-Jones (L-J) energy between nanotube and drug exist in the simulation system with concentration of 1 mol L^?1 Urea.     

Electronic and optical properties of quaternary selenides for optoelectronic applications: Insights from DFT+U-computations

The optical properties, electronic charge density, electronic structure of the new layered selenides materials, BaGdCuSe₃, CsUCuSe₃, CsZrCuSe₃, and CsGdZnSe₃ compounds have been calculated by using the full potential and linear augmented plane wave (FP-LAPW) methods as applied in the WIEN2k package, which is based on the density functional theory. The ALnMSe3 compound's structure of these was (A = Cs, Ba; Ln = Zr, Gd, U; M = Cu, Zn) is composed of (n = 1, 2) layers, which might be separated by A atoms. It is to be observed that there is strong hybridization between the s, p, and d states of Zr, Gd, and Cu atoms. Around the gadolinium atom, the charge density contours are completely circular, but the Gadolinium “Gd” atom shows an ionic nature. To calculate the refractive index, we used Kramer's Kronig correlations with the imaginary part dielectric function. The decrease in the refractive index is due to the lack of probability for direct excitation of the electrons, resulting in a loss of energy. The value of the static refractive index for all reference compounds is about 1.75–2.25, which is indication that the material used in optoelectronic devices.     

Modulating opto-electronic and magnetic responses of Mo- and Zn-adsorbed LiNbO3 (1 1 1) surface for advanced energy harvesting applications: A comprehensive study

This study aimed to comprehensively investigate the optoelectronic and magnetic properties of Mo, Zn/LiNbO₃ (1 1 1) material. The primary objectives were to understand the potential for manipulating the material's magnetism and to elucidate the origin of spin-polarized states and magnetic moments, particularly with respect to the unpaired d orbitals of Nb, Mo, and Zn atoms. To achieve these objectives, we employed the Pardew–Burke–Ernzerhof (PBE) method within the Generalized Gradient Approximation (GGA + U) framework. This computational approach allowed us to examine the optoelectronic and magnetic characteristics of the material in detail. Our research yielded several key findings that enhance our understanding of Mo, Zn/LiNbO₃ (1 1 1) material. We observed a modest improvement in the material's absorption capacity within the visible spectrum, accompanied by a discernible red-shift. Notably, our study involved the calculation of the dielectric function and refractive constant of the material, revealing a strong correlation between absorption trends and the dielectric constant. Furthermore, our investigation uncovered that Mo, Zn/LiNbO₃ (1 1 1) exhibits distinct conduction and valence bands, with p and d orbitals predominantly contributing to each, respectively. The energy gap of the material falls within a range of 0.30–1.04 eV. A particularly significant finding was the narrower band gap of Mo, Zn/LiNbO₃ (1 1 1) material, which can be attributed to the superposition of Mo-d and Zn-p orbit energy levels with O-p orbit energy levels, ultimately forming a covalent bond. Importantly, our research demonstrated the material's heightened optical absorption within the visible spectrum, suggesting its suitability for various photonic and optoelectronic applications. Additionally, we calculated a wide range of optical characteristics, including the dielectric function, absorption coefficient, energy loss, reflectivity, refractive index, extinction coefficient, and optical conductivity, providing a comprehensive assessment of the material's optical properties.     

Easily manufactured TiO2 hollow fibers for quantum dot sensitized solar cells

TiO(2) hollow fibers with high surface area were manufactured by a simple synthesis method, using natural cellulose fibers as template. The effective light scattering properties of the hollow fibers, originating from their micron size, were observed by diffuse reflectance spectroscopy. In spite of the micrometric length of the TiO(2) hollow fibers, the walls were highly porous and high surface area (78.2 m(2) g(-1)) was obtained by the BET method. TiO(2) hollow fibers alone and mixed with other TiO(2) pastes were sensitized with CdSe quantum dots (QDs) by Successive Ionic Layer Adsorption and Reaction (SILAR) and integrated as a photoanode in quantum dot sensitized solar cells (QDSCs). High power conversion efficiency was obtained, 3.24% (V(oc) = 503 mV, J(sc) = 11.92 mA cm(-2), FF = 0.54), and a clear correspondence of the cell performance with the photoanode structure was observed. The unique properties of these fibers: high surface area, effective light scattering, hollow structure to facile electrolyte diffusion and the rather high efficiencies obtained here suggest that hollow fibers can be introduced as promising nanostructures to make highly efficient quantum dot sensitized solar cells.     

Apple – biomorphic synthesis of porous ZnO nanostructures for glucose direct electrochemical biosensor

Biomorphic porous ZnO nanostructures were successfully synthesized via an aqueous sol–gel soaking process using pieces of apple flesh and skin as templates and employed for glucose direct electrochemical biosensor. The structure and morphology of ZnO nanostructures were characterized by X-ray diffraction (XRD) and scanning electron microscope (SEM). By modifying glassy carbon electrode with the biomorphic ZnO nanostructures and Nafion, two glucose biosensors were constructed and their direct electrochemistry of glucose oxidase (GOD) was successfully investigated by cyclic voltammetry (CV). The biomorphic porous ZnO nanostructures using apple skin template (S-ZnO) were more effective in facilitating the electron transfer of immobilized GOD than that of using flesh apple template (F-ZnO). This may be a result of the unique morphology and smaller average crystallite size of the S-ZnO nanostructure. GOD immobilized on Nafion-porous S-ZnO nanostructure composite display direct, reversible, and surface-controlled redox reaction with a detection limit of 10 μM, a response time of 7 s, high sensitivity of 23.4 μA/mM cm² and a fast heterogeneous electron transfer rate with a rate constant (k_s) of 3.9 s^?1. It was found that S-ZnO significantly has improved the direct electron transfer between GOD and glassy carbon electrode with good stability and reproducibility.     

Spectrophotometric determination of isonicotinic acid hydrazide

Summary Isonicotinic acid hydrazide reacts with 2,3,5-triphenyltetrazolium chloride in acidic medium in presence of excess of thallium(III) to give a pink-coloured formazan having maximum absorption at 480 nm. This colour reaction is used to determine isonicotinic acid hydrazide in urine and blood. The reaction is specific for isonicotinic acid hydrazide, and the visual limit of identification is1 g per ml.

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Zusammenfassung Isonikotinsäurehydrazid reagiert mit 2,3,5-Triphenyltetrazoliumchlorid in saurem Milieu bei Gegenwart von überschüssigem Thallium(III) unter Bildung eines rosa gefärbten Formazans mit dem Absorptionsmaximum bei 480 nm. Diese Farbreaktion wird zur Bestimmung von Isonikotinsäurehydrazid in Harn und Blut verwendet. Sie ist spezifisch. Ihre Erfassungsgrenze beträgt 1g/ml.

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Résumé L'hydrazide de l'acide isonicotinique réagit avec le chlorure de triphényl-2,3,5 tétrazolium, en milieu acide en présence d'un excès de thallium-III, en donnant un formazan coloré en rose dont le maximum d'absorption se situe à 480 nm. On utilise cette réaction colorée pour doser l'hydrazide de l'acide isonicotinique dans l'urine et dans le sang. La réaction est spécifique et la limite d'identification visuelle est de 1g par ml.