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Online since: May 2022
Authors: Tutik Dwi Wahyuningsih, Melati Khairuddean, Maadh Jumaah
Introduction
Organofluorine chemistry plays a conspicuous and increasingly important role in discovering new bioactive molecules within medicinal research.
All structure images above were displayed using PyMOL viewer.
Result and Discussion Chemistry.
This was performed on the binding model based on the EGFR complex structure (1SA0.pdb).
O'Boyle, Colchicine-binding site inhibitors from chemistry to clinic: A review, Pharmaceuticals 13 (2020) 8
All structure images above were displayed using PyMOL viewer.
Result and Discussion Chemistry.
This was performed on the binding model based on the EGFR complex structure (1SA0.pdb).
O'Boyle, Colchicine-binding site inhibitors from chemistry to clinic: A review, Pharmaceuticals 13 (2020) 8
Online since: June 2012
Authors: Ying Lian Wang, Han Shui Wu
The results show that, the films without annealing process present amorphous structure, the defects density of interior fiber is high and the structure is loose.
Sedimentary organization present a kind of dozens of nanometers diameter of the thin fibrous organization form, fiber internal defect density is high or is amorphous structure, the structure between fibers is loose obviously, there are many nanometer sized holes.
Sample A has no diffraction peaks, is amorphous structure, sample B has two diffraction peaks, 2θ respectively at 25.240 and 37.560 degrees, corresponding to the (101) and (004) crystal plane, is typically anatase phase structure [3].
The results show that, the films without annealing process present amorphous structure, the defects density of interior fiber is high and the structure is loose.
[5] Anpo, Masakazu: Utilization of TiO2 Photocatalysis in Green Chemistry.
Sedimentary organization present a kind of dozens of nanometers diameter of the thin fibrous organization form, fiber internal defect density is high or is amorphous structure, the structure between fibers is loose obviously, there are many nanometer sized holes.
Sample A has no diffraction peaks, is amorphous structure, sample B has two diffraction peaks, 2θ respectively at 25.240 and 37.560 degrees, corresponding to the (101) and (004) crystal plane, is typically anatase phase structure [3].
The results show that, the films without annealing process present amorphous structure, the defects density of interior fiber is high and the structure is loose.
[5] Anpo, Masakazu: Utilization of TiO2 Photocatalysis in Green Chemistry.
Online since: July 2011
Authors: Jiao Zhang, Jian Jun Li, Hai Feng Qin, Zhi Jun Zhao, Shu Guang Shen
The Influence of Adding Modified Pitch and Phenol Residue to Coal Blends on Coke Microcrystalline Size
Shuguang Shen1, a , Jiao Zhang1, b, Jianjun Li1, c,
Haifeng Qin1, d and Zhijun Zhao 1, e
1College of Chemistry and Chemical Engineering,Taiyuan University of Technology,Taiyuan, 030024, China
ashenshuguang@tyut.edu.cn, bhebeizhangjiao@126.com, clijianjun@126.com,dqinhaifeng@tyut.edu.cn, ezhaozhijun@tyut.edu.cn
Keywords: Modified pitch, Phenol residue, Co-carbonization, Microcrystallite structure.
It demonstrates that the microcrystal structure of coke can be improved with adding a certain proportion of modified pitch, thus improving the thermal strength of coke.
The changes in the microcrystal structure of the coke indicate that the addition of phenol residue into the coal blends during coking only changes the crystal layer of the microcrystallite structure, and there are no significant changes in the lattice.
The figures also indicate that the changes of coke microcrystalline structure size in scheme B are the biggest in three blends addition of modified pitch.
The coke from scheme D blending with phenol residue had not obvious changes in microcrystal structure indexes.
It demonstrates that the microcrystal structure of coke can be improved with adding a certain proportion of modified pitch, thus improving the thermal strength of coke.
The changes in the microcrystal structure of the coke indicate that the addition of phenol residue into the coal blends during coking only changes the crystal layer of the microcrystallite structure, and there are no significant changes in the lattice.
The figures also indicate that the changes of coke microcrystalline structure size in scheme B are the biggest in three blends addition of modified pitch.
The coke from scheme D blending with phenol residue had not obvious changes in microcrystal structure indexes.
Online since: September 2013
Authors: Yan Ling Zhang, Yuan Ming Wang, Yan Jiang Qiao
Ten structure-based pharmacophore models of Cyclooxygenase 2 (COX-2) inhibitors were generated by LigandScout based on COX-2 inhibitor complexes from the Protein Data Bank (PDB).
Structure-based pharmacophore modeling adopts receptor-ligand complex to construct pharmacophore models based on the interaction between the receptor and ligand.
Ten structures were obtained and preprocessed (Table I).
Literature confirmed that the binding pocket of the COX-2 inhibitor is a hydrophobic pocket, and the hydrogen bond acceptor features increase the specificity of the model[[]Michaux C, Leval X, Julemont F, et al., Structure-based pharmacophore of COX-2 selective inhibitors and identification of original lead compounds from 3D database searching method, European Journal of Medicinal Chemistry, vol. 41, 2006, pp.1446-1455. ].
(a) structure-based pharmacophore in the active pocked detected by LigandScout; (b) the sub-pharmacophore of the complex.
Structure-based pharmacophore modeling adopts receptor-ligand complex to construct pharmacophore models based on the interaction between the receptor and ligand.
Ten structures were obtained and preprocessed (Table I).
Literature confirmed that the binding pocket of the COX-2 inhibitor is a hydrophobic pocket, and the hydrogen bond acceptor features increase the specificity of the model[[]Michaux C, Leval X, Julemont F, et al., Structure-based pharmacophore of COX-2 selective inhibitors and identification of original lead compounds from 3D database searching method, European Journal of Medicinal Chemistry, vol. 41, 2006, pp.1446-1455. ].
(a) structure-based pharmacophore in the active pocked detected by LigandScout; (b) the sub-pharmacophore of the complex.
Online since: March 2008
Authors: Masanori Kikuchi, Xamxinur Abdikerem, Li Hua Jia, Hazirti Eli, Mamtimin Gheni
The earlier study for bone structure and its mechanics are conducted.
Soc. 1952, B237, 37-72) introduce an reaction diffusion system and its widely used in chemistry and biology. [4]-[6].
Numerical Model Reaction-diffusion model was firstly proposed by Turing and has been studied in various fields, such as chemistry and biology.
The 2D numerical initial tissue structure bone modeled with uniform distributed small hole respectively.
R., Modeling of Turing structures in the chlorite-iodidemalonic acid-starch reaction system.
Soc. 1952, B237, 37-72) introduce an reaction diffusion system and its widely used in chemistry and biology. [4]-[6].
Numerical Model Reaction-diffusion model was firstly proposed by Turing and has been studied in various fields, such as chemistry and biology.
The 2D numerical initial tissue structure bone modeled with uniform distributed small hole respectively.
R., Modeling of Turing structures in the chlorite-iodidemalonic acid-starch reaction system.
Online since: August 2017
Authors: Sukon Phanichphant, Pusit Pookmanee, Prakasit Intaphong, Jitreephan Phanmalee, Wiyong Kangwansupamonkon
The structure was identified by X-ray diffraction (XRD).
The structure was confirmed by comparison with the Joint Committee on Powder Diffraction Standard (JCPDS) Card File No.41-0575 [15] and 14-0688 [16].
Multi-phase of orthorhombic Bi2VO5.5and monoclinic BiVO4 structure was obtained and compared with Joint Committee Powder Diffraction Standards (JCPDS) Card File No.41-0575 and No.14-0688.
Multi-phase of orthorhombic Bi2VO5.5 and monoclinic and BiVO4 structure was obtained.
Acknowledgments This research was financially supported by the National Science and Technology Development Agency (NSTDA), the Young Scientist and Technnologist Programme (YSTP: SCA-CO-2559-2440-TH), the Science Achievement Scholarship of Thailand (SAST), the Department of Chemistry, and the Nanoscience and Nanotechnology Research Laboratory (NNRL), Faculty of Science, Maejo University, Chiang Mai, Thailand.
The structure was confirmed by comparison with the Joint Committee on Powder Diffraction Standard (JCPDS) Card File No.41-0575 [15] and 14-0688 [16].
Multi-phase of orthorhombic Bi2VO5.5and monoclinic BiVO4 structure was obtained and compared with Joint Committee Powder Diffraction Standards (JCPDS) Card File No.41-0575 and No.14-0688.
Multi-phase of orthorhombic Bi2VO5.5 and monoclinic and BiVO4 structure was obtained.
Acknowledgments This research was financially supported by the National Science and Technology Development Agency (NSTDA), the Young Scientist and Technnologist Programme (YSTP: SCA-CO-2559-2440-TH), the Science Achievement Scholarship of Thailand (SAST), the Department of Chemistry, and the Nanoscience and Nanotechnology Research Laboratory (NNRL), Faculty of Science, Maejo University, Chiang Mai, Thailand.
Online since: March 2013
Authors: S. Vasanth Kumar, A. Alex John Thangapaul, V. Sherly Arpuda Kiruba, R. Nivea, T. Viji, K. Thiyagarajan, Alphonse Dhayal Raj
Abstract
Nanomaterials research has become a major attraction in the field of advanced materials research in the area of Physics, Chemistry, and Materials Science.
The morphology of the nanorods were very much affected by the sonication time, it was found that with an increase in sonication time, the length of the nanorods seem to considerably increase at the same time an agglomeration effect comes in to action and the rods form bundle like structures.
These cobalt oxide nanorods were characterized using X-ray Diffraction characterization (XRD) and it revealed a cubic structure.
The prominent peaks at (311) indicate the formation of Co3O4 having cubic structure.
It was found that the samples prepared with 2 hours sonication time showed nanorod like structures that had dimensions around 100-250 nm diameter while about 1 µm length.
The morphology of the nanorods were very much affected by the sonication time, it was found that with an increase in sonication time, the length of the nanorods seem to considerably increase at the same time an agglomeration effect comes in to action and the rods form bundle like structures.
These cobalt oxide nanorods were characterized using X-ray Diffraction characterization (XRD) and it revealed a cubic structure.
The prominent peaks at (311) indicate the formation of Co3O4 having cubic structure.
It was found that the samples prepared with 2 hours sonication time showed nanorod like structures that had dimensions around 100-250 nm diameter while about 1 µm length.
Online since: March 2007
Authors: Xiao Ping Shen, Ke Hong Yan, Chang Sheng Li, Jun Mao Li, Kang Min Chen
Investigation of Micro-Tribological Behavior of MS2 Nanotubes
Changsheng Li
1, a
, Kehong Yan2, b , Junmao Li
1
, Xiaoping Shen3 and
Kangmin Chen1
1
School of Material Engineering, Jiangsu University, Zhenjiang, Jiangsu 212013, China
2
School of Material Engineering, Jiangsu University, Zhenjiang, Jiangsu 212013, China
3
School of chemistry and chemical Engineering, Jiangsu University, Zhenjiang,
Jiangsu 212013, China
a
lichangsheng@ujs.edu,cn,
b
khyan@126.com
Keywords: Nanotube, Lamellar structure, Tribological behavior, Solid lubricant.
It is well known that metal dichalcogenides MS2 (M=Mo, W, Nb, Ta, TiS, Zr ,Hf, S=S, Se) have lamellar structure, the bonds of adjacent lamellae are weak van der Waals interactions and inter-lamellar are strong covalent interactions.
The structures make adjacent lamellae easy to slip and it shows low friction coefficient during friction process.
It may be the fullerene structure brings the chemical stability and lead low friction.
Such structure leads adjacent lamella easy to slip, so it shows very low friction coefficient.
It is well known that metal dichalcogenides MS2 (M=Mo, W, Nb, Ta, TiS, Zr ,Hf, S=S, Se) have lamellar structure, the bonds of adjacent lamellae are weak van der Waals interactions and inter-lamellar are strong covalent interactions.
The structures make adjacent lamellae easy to slip and it shows low friction coefficient during friction process.
It may be the fullerene structure brings the chemical stability and lead low friction.
Such structure leads adjacent lamella easy to slip, so it shows very low friction coefficient.
Online since: June 2020
Authors: Kamila Salasinska, Maciej Celiński, Agnieszka Gajek, Paweł Kozikowski, Michał K. Leszczyński, Monika Borucka
To confirm the structure of HF, powder X-ray diffraction (XRD) was used.
The mechanism consisting in creating a char with cellular structure, characteristic of intumescent flame retardants, is currently regarded as the most effective approach for reducing the flammability of plastics.
The ability to form a swelling char, probably resulting from the chemical structure of the shell, results in unique properties [7].
The crystal structure of the identified phase involves two molecules of phosphoric acid (one anionic and the other neutral) for each molecule of histidine.
Acknowledgement This publication is the result of the research task "Development of a new ecological intumescent flame retardant system for epoxy resin", carried out under the statutory activities of the Central Institute for Labour Protection - National Research Institute, and using the equipment located in the Institute of Physical Chemistry of the Polish Academy of Sciences.
The mechanism consisting in creating a char with cellular structure, characteristic of intumescent flame retardants, is currently regarded as the most effective approach for reducing the flammability of plastics.
The ability to form a swelling char, probably resulting from the chemical structure of the shell, results in unique properties [7].
The crystal structure of the identified phase involves two molecules of phosphoric acid (one anionic and the other neutral) for each molecule of histidine.
Acknowledgement This publication is the result of the research task "Development of a new ecological intumescent flame retardant system for epoxy resin", carried out under the statutory activities of the Central Institute for Labour Protection - National Research Institute, and using the equipment located in the Institute of Physical Chemistry of the Polish Academy of Sciences.
Online since: August 2013
Authors: Bin Sun, Hai Yan Wang, Yu Wen Liu, Ji Feng Tian, Shi Jie Huang
FT-IR Analysis of Molecular Structure Evolvement of Poly(Ether urethanes) in Ozone Atmosphere
Haiyan Wang1,a, Yuwen Liu1, b, Jifeng Tian2,c, Bin Sun1,d, Shijie Huang1,d
1Hebei key laboratory of applied chemistry, College of Environmental and Chemical Engineering,
Yanshan University, Qinhuangdao, 066004, China
2College of Civil Engineering and Mechanics, Yanshan University, Qinhuangdao, 066004, China
ahywang@ysu.edu.cn, bliuyuwen@ysu.edu.cn, ctianjifeng123@126.com, dliuywhitjjj@163.com
Keywords: Molecular Structure, Ozone, Polyurethane, Oxidation
Abstract.
Efforts have been made on the IR analysis of urethane during aging process[6-8], however the effects of ozone on the molecule structure of poly(ether urethanes) have not been reported so far.
Therefore, the structure evolvement of poly(ether urethanes) in ozone environment has been analyzed by FTIR in our work.
Efforts have been made on the IR analysis of urethane during aging process[6-8], however the effects of ozone on the molecule structure of poly(ether urethanes) have not been reported so far.
Therefore, the structure evolvement of poly(ether urethanes) in ozone environment has been analyzed by FTIR in our work.