• Bulletin of the Korean Chemical Society
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• v.30 no.12
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• pp.3061-3065
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• 2009

A series of mono- and 1,1'-bis(heteroaryl)-substituted ferrocenes were prepared by employing Frielander reaction of acetyl- and 1,1'-diacetylferrocene with a series of o-aminoaldehydes. Reactions of 1,1'-diacetylferrocene with two equivalents of 1-aminonaphthalene-2-carbaldehyde and 8-aminoquinoline-7-carbaldehyde afforded a mixture of mono- and 1,1'-bis(heteroaryl)-substituted ferrocenes in a ratio of 1 : 3.1 - 3.8, while the reaction with 4-aminoacridine-3-carbaldehyde did not provide any characterizable product presumably due to the redox instability of the product induced by low reduction potential of benzo[b]-1,10-phenanthroline. Structural and optical properties of the compounds prepared were described.

• Proceedings of the Korean Society Of Semiconductor Equipment Technology
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• 2003.12a
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• pp.130-135
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• 2003

Low dielectric constant SiOC(-H) films have been prepared by inductively coupled plasma chemical vapor deposition using bis-trymethylsilyl-methane (BTMSM) and $O_2$ precursors. The annealing effects on the structural and electrical properties were studied. The results indicate post-annealing could efficiently remove the hydroxyl (-OH) related groups from the as-deposited films and cause the chemical structure re-arrangement, resulting in the more nano-pores being formed in the annealed SiOC(-H) films. The dielectric constant decreased from 2.7 to 2.1, and the refractive index decreased from 1.427 to 1.32.

• Bulletin of the Korean Chemical Society
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• v.33 no.4
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• pp.1235-1241
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• 2012

Aluminium (Al)-doped zinc oxide (AZO) thin films with different Al concentrations were prepared by the solgel spin-coating method. Optical parameters such as the optical band gap, absorption coefficient, refractive index, dispersion parameter, and optical conductivity were studied in order to investigate the effects of the Al concentration on the optical properties of AZO thin films. The dispersion energy, single-oscillator energy, average oscillator wavelength, average oscillator strength, and refractive index at infinite wavelength of the AZO thin films were found to be affected by Al incorporation. The optical conductivity of the AZO thin films also increases with increasing photon energy.

• Bulletin of the Korean Chemical Society
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• v.31 no.12
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• pp.3632-3638
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• 2010

2-Iminopyrimidines (1a-e) and 2-thioxopyrimidine (2) were synthesized using the Biginelli three component cyclocondensation reaction of an appropriate $\beta$-diketone, arylaldehyde, and guanidine (for 1a-e) or thiourea (for 2). The electrochemical properties of the novel systems were investigated by CV and DPV. Moreover, B3LYP/6-31G(d,p) method was applied to the present structures in order to gather some structural and physicochemical data.

• Journal of the Korean Chemical Society
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• v.57 no.1
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• pp.63-72
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• 2013

Some vanadyl complexes were synthesized by treating a methanolic solution of the appropriate Schiff base ligand and one equivalent of $VO(SO_4)_2$ to yield [($VOL_2^{1-14}$)](L=Salicylaldehyde's derivatives, Schemes 1, 2). These oxovanadium (IV) complexes were characterized based on their FT-IR, UV-Vis spectroscopy and elemental analysis. The IR spectra suggest that coordination takes place through azomethine nitrogen and phenolate oxygen. In addition, the formation constants of the oxovanadium (IV) binary complexes were determined in methanolic medium. The ab initio calculations were also carried out to determine the structural and the geometrical properties of one of the complexes and its calculated vibrational frequencies were investigated.

• Proceedings of the Korean Powder Metallurgy Institute Conference
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• 2006.09a
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• pp.321-322
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• 2006

Nano-structured ceramics, which consist of structural elements with nanometer-size crystallites, are expected to show various unusual properties. We developed the novel nano-structured ceramics which consists of $Si_3N_4$ and TiN and a self-lubricant material. The ceramics was fabricated by powder metallurgy process using mechano-chemical grinding process and short-time sintering process. Each grain size of matrix and the self-lubricant particle was under about 50 nm and a few namometer. It showed high wear resistance and low friction coefficient by controlling of microstructure.

• Journal of Integrative Natural Science
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• v.5 no.1
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• pp.1-5
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• 2012

Quantitative structure-activity relationship (QSAR) methodologies have been applied for many years, to correlate the relationship between physicochemical properties of chemical substances and their biological activities to generate a statistical model for prediction of the activities of new chemical entities. The basic principle behind the QSAR models is that, how structural variation is responsible for the difference in biological activities of the compounds. 3D-QSAR has emerged as a natural extension to the classical Hansch and Free-Wilson approaches, which develops the 3D properties of the ligands to predict their biological activities using various chemometric techniques (PLS, G/PLS, ANN etc). It has served as a valuable predictive tool in the design of pharmaceuticals and agrochemicals. This review seeks to provide different 3D-QSAR approaches involved in drug designing process to develop structure-activity relationships and also discussed the fundamental limitations, as well as those that might be overcome with the improved methodologies.

• Journal of the Korean Magnetic Resonance Society
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• v.23 no.2
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• pp.40-45
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• 2019

The phase transition temperatures and thermodynamic properties of $(NH_4)_2MnCl_4{\cdot}2H_2O$ grown by the slow evaporation method were studied using differential scanning calorimetry and thermogravimetric analysis. A structural phase transition occurred at temperature $T_{C1}$ (=264 K), whereas the changes at $T_{C2}$ (=460 K) and $T_{C3}$ (=475 K) seemed to be chemical changes caused by thermal decomposition. In addition, the chemical shift and the spin-lattice relaxation time $T_{1{\rho}}$ were investigated using $^1H$ magic-angle spinning nuclear magnetic resonance (MAS NMR), in order to understand the role of $NH_4{^+}$ and $H_2O$. The rise in $T_{1{\rho}}$ with temperature was related to variations in the symmetry of the surrounding $H_2O$ and $NH_4{^+}$.

• Proceedings of the Korea Concrete Institute Conference
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• 1994.10a
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• pp.235-239
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• 1994

Polymer mortars are mainly used as protective coatings in concrete, reinforced concrete, and more rarely, steel, while polymer concretes represent a new type of structural material capable of withstanding highly corrosive environments. The mechanical properties, chemical stability, and some other useful properties are the reasons research, design, and production organizations. However polymer mortars and polymer concretes have been introduced only recently, and many of their properties are still imperfectly known. And, the main technique in producing polymer concrete is to minimize void volume in the aggregate mass so as to reduce the quantity of the relatively impressive polymer necessary for binding the aggregate. In this study, compressive strength and flexural strength of unsaturated polyester resin concrete are related to quantity of resin and solid volume of aggregate. It was founded that the more solid volume of aggregate increase, the less using quantity of resin decrease with out reducing mechnical properties. When solid volume ratio of aggregate is 70.6%, using quantity of resin is minimized to 10wt.%.

• Bulletin of the Korean Chemical Society
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• v.30 no.3
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• pp.623-629
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• 2009

We have performed replica-exchange molecular dynamics simulations on 41 residue peptide mainly composed of NAC (non A$\beta$ component) sequence in $\alpha$-Synuclein. To investigate conformational characteristics of intrinsically unstructured peptides, we carried out structural analysis on the ‘representative structures’ for ensemble of structures occurring at different temperatures. The secondary structure profile obtained from our simulations suggests that the NAC region of $\alpha$-synuclein can be divided into roughly three helical-like segments. It is found that the overall helix-turn-helix like topology is conserved even though the conformational fluctuations grow as the temperature increases. The coordinate-based and the distance-based representative structures exhibit noticeable differences at higher temperatures while they are similar at lower temperatures. It is found that structural variations for the coordinate-based representative structures are much larger, suggesting that distance-based representative structures provide more reliable information concerning characteristic features of intrinsically unstructured proteins. The present analysis also indicates that the conformational features of representative structures at high temperatures might be related to those in membrane or low pH environment.