• Journal of Integrative Natural Science
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• v.10 no.4
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• pp.197-201
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• 2017

Organosilicon compound containing silphenylene unit as an eletrolyte for the application of lithium-ion batteries was synthesized by hydrosilylation method between 1,4-bis(dimethylsilylhydro)benzene and 3-[2-(2-methoxyethoxy)ethoxy]-1-propene. As-prepared new organosilicon compounds containing spacer such as propyl group with ethylene glycol are synthesized to improve thermal stability and to promote conductivity. The products are characterized by spectroscopic analysis.

• Proceedings of the Korean Vacuum Society Conference
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• 1997.07a
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• pp.45-45
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• 1997

• Journal of Integrative Natural Science
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• v.10 no.3
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• pp.171-174
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• 2017

Non-hydrolyzable fluorinated organosilicon compounds as an eletrolyte for the application of lithium-ion batteries (LIB) are synthesized. New synthetic method for the perfluorinated organosilicon compound containing spacer such as ethyl and propyl group with cyano moiety instead of ethylene glycol to prevent hydrolysis and to promote conductivity are developed in one pot reaction with moderately high yield. Air-sensitive boron trifluoride etherate is no longer required in this reaction. The products are characterized by spectroscopic analysis.

• Bulletin of the Korean Chemical Society
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• v.16 no.10
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• pp.915-923
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• 1995

The parameters for an empirical net atomic charge calculation method, Modified Partial Equalization of Orbital Electronegativity (MPEOE), were determined for the atoms in organosilicon compounds and zeolites. For the organosilicon family, the empirical parameters were determined by introducing both experimental and ab initio observables as constraints, these are the experimental and ab initio dipole moments, and the ab initio electrostatic potential of the organosilicon molecules. The Mulliken population was also introduced though it is not a quantum mechanical observable. For the parameter optimization of the atoms in the aluminosilicates, the dipole moments and the electrostatic potentials which calculated from the 6-31G** ab initio wave function were used as constraints. The empirically calculated atomic charges of the organosilicons could reproduce both the experimental and the ab inito dipole moments well. The empirical atomic charges of the aluminosilicates could reproduce the ab initio electrostatic potentials well also.

• 한국정보디스플레이학회:학술대회논문집
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• 2009.10a
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• pp.948-950
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• 2009

A few organosilicon compounds (OC) - both cyclic and linear siloxanes with different structure of the substituents - have been synthesized. Properties of the LC anchoring on OC films have been measured. The OC investigated provide the homogeneous planar alignment with LC tilt angle in the range from $0.7^{\circ}$ to $1.9^{\circ}$. An increase of the microrelief depth results in a small increase of the tilt angle. The azimuthal anchoring is better for the films of the OC without molecular microrelief or the OC comprising polar groups.

• Bulletin of the Korean Chemical Society
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• v.35 no.5
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• pp.1495-1500
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• 2014

Two new complexes with 5-methyl-1-(pyridine-3-yl)-1H-1,2,3-triazole-4-carboxylic acid (Hmptc) ligand: [$Cd(mptc)_2(H_2O)_4$] (1) and $[Cu(mptc)_4{\cdot}2H_2O]_n$ (2) were prepared and their crystal structures were determined by single crystal X-ray diffraction analyses. In complex 1, the Cd(II) ions coordinates with the pyridyl nitogen atom from the Hmptc ligand, forming a mononuclear Cd(II) compound. Complex 2 exhibits a novel two-dimensional (2D) polymer in which four Hmptc ligands stabilize the Cu(II) atom. And the coordination involves one nitrogen atom of the triazole, one oxygen atom of the carboxylic acid and the pyridyl nitrogen atom. In addition, FT-IR and solid-state fluorescent emission spectroscopy of two compounds have been determined.

• Bulletin of the Korean Chemical Society
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• v.35 no.8
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• pp.2494-2504
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• 2014

P38 mitogen activated protein (MAP) kinase is an important anti-inflammatory drug target, which can be activated by responding to various stimuli such as stress and immune response. Based on the conformation of the conserved DFG loop (in or out), binding inhibitors are termed as type-I and II. Type-I inhibitors are ATP competitive, whereas type-II inhibitors bind in DFG-out conformation of allosteric pocket. It remains unclear that how these allosteric inhibitors stabilize the DFG-out conformation and interact. Organosilicon compounds provide unusual opportunity to enhance potency and diversity of drug molecules due to their low toxicity. However, very few examples have been reported to utilize this property. In this regard, we performed docking of an inhibitor (BIRB) and its silicon analog (Si-BIRB) in an allosteric binding pocket of p38. Further, molecular dynamics (MD) simulations were performed to study the dynamic behavior of the simulated complexes. The difference in the biological activity and mechanism of action of the simulated inhibitors could be explained based on the molecular mechanics/generalized Born surface area (MM/GBSA) binding free energy per residue decomposition. MM/GBSA showed that biological activities were related with calculated binding free energy of inhibitors. Analyses of the per-residue decomposed energy indicated that van der Waals and non-polar interactions were predominant in the ligand-protein interactions. Further, crucial residues identified for hydrogen bond, salt bridge and hydrophobic interactions were Tyr35, Lys53, Glu71, Leu74, Leu75, Ile84, Met109, Leu167, Asp168 and Phe169. Our results indicate that stronger hydrophobic interaction of Si-BIRB with the binding site residues could be responsible for its greater binding affinity compared with BIRB.

• Journal of Integrative Natural Science
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• v.3 no.1
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• pp.19-23
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• 2010

A simple and rapid method is described for detecting nitroaromatic explosives in air or seawater with the use of photoluminescent organosilicon compounds. The synthesis, spectroscopic characterization, and fluorescence quenching efficiency of silafluorenes are reported. Silafluorenes were synthesized from the reduction of dilithiobiphenyl with dichlorosilanes. Two silafluorenes were used for the detection of nitroaromatic compounds. Detection of nitroaromatic molecules, such as 2,4-dinitrotoluene (DNT), 2,4,6-trinitrotoluene (TNT), and picric acid (PA), has been explored. A linear Stern-Volmer relationship was observed for the first three analytes. Fluorescence spectra of silafluorenes obtained in either toluene solutions or thin films displayed no shift in the maximum of the emission wavelength. The photoluminescence quenching occurs by a static mechanism.

• Journal of the Korean institute of surface engineering
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• v.29 no.6
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• pp.781-787
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• 1996

Silicom oxide films with good water repellency were prepared by rf plasma-enhanced CVD (rf-PECVD) using four kinds of organosilicon compound, which had different number of methyl ($CH_3$) groups, and oxygen as gas sources. The differences in the deposition rates, film composition and film properties were studied in detail. Water repellency depended on the number of $CH_3$ groups in the organosilicon compounds and the partial pressure of oxygen in the plasma. The highest contact angle for water drops, about 95 degrees, was obtained when trimethy lmethoxy silane (TMMOS) was used. The contact angle decreased with the amount of oxygen gas introduced into the plasma. The dissociation of $CH_3$ groups by adding oxygen was comfirmed by Fourier transform infrared spectroscopy(FTIR) and X-ray photoelectron spectroscopy (XPS). The optical properties were estimated by double-beam spectroscopy and ellipsometry. The transmittance of the glass plate coated by the film prepared with tetramethoxy silane (TMOS) was about 90% and the refractive index of film was 1.44. This value was smaller than the refractive index of a glass plate(soda lime glass, refractive index is 1.515) and this film played a role of anti-refractive coating.

• Bulletin of the Korean Chemical Society
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• v.23 no.6
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• pp.845-851
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• 2002

The synthesis of the intramolecular donor - stabilized silyl and germyl complexes of the type ($Cab^c.p) MMe_2X$ (2a:M=Si, X=Cl;2b;M= Ge, X=Cl;2e;M=Si,X=H) was achieved by the reaction of $LiCab^c,p$ (1) with $Me_2SiClX$ and $Me_2GeCl_2$ respectively. The intramolecular M←P interacion in 2a-2c is provided by $^1H$, $13^C.$, $31^P$ and $29^Si$ NMR spectroscopy. The salt elimination reactions of dichlorotetramethyldisilane and -digermane with 1 afforded the $bis(\sigma-carboranylphosphino)disilane$ and disgermane [$(Cab^C.P)MMe_2]_2(4a;M$ = Si;4b: M=Ge). The oxidative addition reaction of 4a-4b with $pd_2(dba)_3CHCl_3afforded$ the bis(silyl)-and bis(germyl)-palladium complexes. The chloro-bridged dipalladium complexes were obtained by the reaction of 2a-2b with $pd_2(dba)_3CHCl_3$ The crystal structures of 5a and 7b were determined by X-ray structural studies.