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In Silico Prediction of Sulforaphane and Iberin from Brassica oleracea as Potential Anticancer Agent Tinok Dwi Ananda1,a*, Arie Srihardyatutie2,b and Vina Octavia Azzahra3,c 1Department of Chemistry, Faculty of Mathematic and Natural Sciences, University of Jember, Indonesia 2Department of Chemistry, Faculty of Mathematic and Natural Sciences, Brawijaya University, Indonesia 3Department of Chemistry, Faculty of Mathematic and Natural Sciences, Universitas Sumatera Utara, Indonesia a*tinokdwi@gmail.com, barie_s@ub.ac.id, cvina@usu.ac.id Keywords: sulforaphane, iberin, molecular docking, anticancer Abstract.
Both compounds form molecular bonds with the same amino acid residues, ARG A:180 and GLU A:97, within the macromolecule's structure.
Both compounds share a common binding site with the amino acid residues, Ser A:1059 and Asp A:1056 within the macromolecule's structure.
Crouch, Fundamentals of Analytical Chemistry, 6(2) (2014)
Oh, Enzyme mechanism and catalytic property of β propeller phytase, Structure, 9(9) (2001) 851–858 [33] Z.

Revealing the Inhibition Efficiencies of Artesunate and Rutin for Corrosion of Steel: A Theoretical Study Gökhan Gece* Department of Chemistry, Faculty of Natural Sciences, Architecture and Engineering, Bursa Technical University, Bursa, Turkey gokhangc@gmail.com Keywords: corrosion inhibitor, artesunate, rutin, density functional theory Abstract.
Molecular structure of (a) artesunate and (b) rutin Computational All calculations were carried out using a DFT method with the B3LYP exchange-correlation functional and the 6-311G(d,p) basis set as implemented in the Gaussian09 program [10].
Conclusions Based on the obtained data, a correlation could be established between corrosion inhibition properties and electronic structure parameters of artesunate and rutin.
Chervinska, Quantum-chemical analysis of the electronic structures of inhibiting complexes of rhamnolipid with metals, Mater.
Pearson, Absolute electronegativity and hardness: application to inorganic chemistry, Inorg.

The main phases of GN shows diffraction peak according to (002), plane of hexagonal phase carbon structure (JCPDS, No. 79-1472) so that graphene nanoparticles are confirmed to pure.
The integral area ratio of D-band and G-band accounts for the degree of carbon structure ordering.
All samples’ ratio of D to G (ID/IG) have little change, indicating the growth of Fe3O4 and BaTiO3 nanoparticles on the GN surface won't destroy the graphene layer structure [16].
Qiao: Journal of Physical Chemistry C Vol. 114 (2010), p. 16229 [12] L.
Xu: Journal of Materials Chemistry A Vol. 3 (2015), p. 12550 [13] J.

At lower ratio, hard segments were mainly occupied by IPDI which had the aromatic ring structure that increased free space volume, so water and toluene could penetrate the film easily.
The reason could be that IPDI had the ring structure and was rigid, so it was mainly responsible for the decrease of the film’s tensile strength, while HDI had a linear symmetric structure with better flexibility, it would mainly affect the film’s cellophane elongation.
Because IPDI had the ring structure while HDI had the linear symmetric structure, many properties changed with the increase ratio of HDI/IPDI.
Coatings Based on Polyurethane Chemistry.
Chemistry and Adhesion, 29(2007),p.423-427

We fix our attention on the solid TiO(OH)2 phase that originated from the soluble precursor [TiO(OH)2(OH2)3], which is a well-known dominant species in the sulfate solution based on knowledge of wet chemistry of TiO2.
Losing water at 75°C, the ensembles decay into individual TiO2 layers, which is accompanied with the 5°-peak disappearance and partial structure amorphization, Fig. 3 (left).
Water molecules are bound to the crystal lattice by weak coordination bonds, and a realistic structure of the particles consists of ideal TiO6 and distorted TiO5(H2O)1 polyhedra, with their ratio being an object-to-be-tested.
Thus, the completely amorphous structure is observed for S-300, Fig. 3 (right).
Obolenskaya et al., Preparation, characterization and properties of the nanosized form of Ti dioxide with the anatase and h-type structures, Russian Crystallography 55 (2010) 919-924

(3) Analysis of structure importance The structure important analysis of the basic events, is to analyze the state of the basic events’ impact on the state of the top event.
It is analysis of the importance of basic events only from the structure of the fault tree, assuming that the probability of occurrence of the basic events is equal [5].
By structure importance analysis, it can be known that all the logic gates in the two fault trees are OR gates, which means each basic event can lead to occurrence of accidents and probability of occurrence is very large.
Proceedings of Solid Propellant Chemistry, Combustion and Motor Interior Ballistics.
Progress in Chemistry, 2006, 18(11): 1554-1564.

The structure and magnetic properties of SrFe12O19 have systematically been investigated by X-ray diffraction (XRD), Thermo gravimetric (TG), Fourier transform infrared spectroscopy (FTIR), Transmission Electron Microscopy (TEM), as well as Vibrating Sample Magnetometer (VSM).
Introduction Strontium hexagonal ferrite has been widely used as an important permanent magnet material in area of high-density magnetic recording media, small motor and micro-wave absorption due to high magnetocrystalline anisotropy, chemical stability,as well as stable M-type hexaferrites structure[1].Nowadays, the method of preparation of strontium hexagonal ferrite includes dry method and wet chemistry method.
The wet chemistry method includes the co-precipitation method[5], the sol-gel method[6-8], the water hot process, the liquid phase combustion method, the organic resin method, the micro emulsion method and so on[9-11].

Cluster Structure of Salt Solutions in Polar Dielectric Liquids SHAMANIN Igor1,2,a, KAZARYAN Mishik3,b, SIDKO Dmitry1,c 1National Research Tomsk Polytechnic University, 30 Lenin ave., Tomsk, 634050, Russia 2American Chemical Society Physical Chemistry Division, P.O.
We designated this structure as “cluster”.
The structure of solution samples was defined by means of the X-ray fluorescent radiation analysis.
Electro-physics of structured solutions of salts in liquid polar dielectrics.
International Journal of Research in Physical Chemistry. 2012; 2(4):40-44.

Structure information of barium hexaferrite and strategies for its syntheses Yue Liu1, a, Yang Li1, Ying Liu1, b, *, Hong-sheng Yin2, Li-li Wang1,Kun Sun1, Yu Gao1 1 College of Chemistry and Life Science, Shenyang Normal University, Shenyang 110034, PR China 2 Experimental Center, Shenyang Normal University, Shenyang 110034, China yueliusda@163.com, byingliusd@163.com Keywords: Co-precipitation, hydrothermal, high efficiency synthesis.
Introduction The structure of barium hexaferrite is complex to comprehend.
Fe3O4 possesses the inverse spinel-type structure.
Also there are blocks of spinel structures in magnetoplumbite structure of barium hexaferrite.
Fe3O4 possesses an inversed spinel structure which is a cubic structure. g-Fe2O3 has the cubic structure similar to the S block in barium hexaferrite.

These organic pollutants contain benzene ring structure, which are not conducive to be degraded and more harmful [2, 3].
Resin is generally a spherical polymer compound with internal complex network structures, large amounts of pores and chemical groups.
The sheet structures were connected with each other and formed 3D interconnected network.
Vegas Fernandez, Bisphenol a removal from water by activated carbon, effects of carbon characteristics and solution chemistry, Environ.
Pajonk, Chemistry of aerogels and their applications, Chem.