• 대한화학회지
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• 제55권3호
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• pp.418-429
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• 2011

[ $N^1,N^2$ ]bis(3-((3-hydroxynaphthalen-2-yl)methylene-amino)propyl)phthalamide ($H_4L$, 1) 의 새로운 크롬(III), 망간(II), 철(III), 코발트(II), 니켈(II), 구리(II), 루테늄(III) 및 산화 지르코늄(II) 착물을 합성하여 원소분석, 물리적 성질 및 분광학적으로 특성을 규명하였다. 분광학적 결과를 통해 이 리간드는 $[H_4LMX_2(H_2O)]{\cdot}nH_2O$ (M = Cu(II), Ni(II), Co(II), X = Cl 또는 $NO_3$)의 일반식을 갖는 착물2-5에서는 중성의 삼배위 리간드로 행동한다. 또는 $[H_4L(ZrO)_2Cl_2]{\cdot}8H_2O$ 의 일반식을 갖는 착물 6-9 에서는 이염기성 육배위 리간드로 행동한다. DMF 용액에서의 몰전기전도도 실험결과 이들 착물은 비이온성을 나타낸다. 고체 구리착물 2, 5 및 6 의 ESR 스펙트럼에서 $g_{\parallel}$ >g> $g_e$을 보이는데, 이는 일그러진 팔면체구조와 큰 공유결합성을 갖는 $d{_x}^2{_{-y}}^2$ 오비탈에 비공유 전자쌍이 존재함을 의미한다. 이합체 구리(II) 착물 $[H_2LCu_2Cl_2(H_2O)_4]{\cdot}3H_2O$ (6)에 대해 두 구리원자 사이의 거리를 ESR 스펙트럼으로부터 추정한 parallel component 의 field zero splitting 파라메타를 이용하여 계산하였다. 이들 화합물의 항박테리아 및 항균 활성도를 측정한 결과, 몇가지 금속 착물의 경우 표준시약인 tetracycline (박테리아) 및 Amphotricene B (균류)보다 더 큰 저해효과를 보였다.

• 대한화학회지
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• 제44권3호
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• pp.194-199
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• 2000

The chemical behavior for Mo(0) and W(0) complexes, [M(CO)$_2$(PPh$_3$)$_4$] (M=Mo and W),has been investigated by UV-vis spectroscopic, magnetic, and electrochemical methods. Three absorption bands are observed in the UV-spectra. The crystal-field-splitti ng energy, spin-pairing energy, and bond strengths were deduced from the spectra. The metal d electrons in both complexes seemed to be delocalized in low-spin state.Metal ligand correlation appeared to strongly depend on bond strengths and diamagnetic properties. In electrochemical processes, both complexes exhibit an irreversible reduction wave.

• 통합자연과학논문집
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• 제8권3호
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• pp.214-220
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• 2015

Cancer has emerged as one of the leading cause of deaths worldwide. A three-dimensional quantitative structure-activity relationship (3D-QSAR) analysis was performed on a series of quinazoline-based anticancer agents. Purpose of the study is to understand the structural basis for their inhibitory activity. Comparative molecular field analysis (CoMFA) technique was employed to develop 3D-QSAR model. Ligand-based alignment scheme was used to generate a reliable CoMFA model. The model produced statistically significant results with a cross-validated correlation coefficient ($q^2$) of 0.589 and a non-cross-validated correlation coefficient ($r^2$) of 0.928. Model was further validated by bootstrapping and progressive scrambling analysis. This study could assist in the design of novel and more potent anticancer agents.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2003년도 하계학술대회 논문집 Vol.4 No.1
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• pp.216-218
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• 2003

The Judd-Ofelt theory is becoming basis that induced of ligand field of electric dipole transitions of between 4f electic states. It is developed for the rare earth ions through judd and of ofelt. This theory be applicate success to the raer earth ions in solid, liquid and gas state. This paper reports a optical characteristices of Nd:glass by using the Judd-Ofelt Method.

• 통합자연과학논문집
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• 제4권4호
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• pp.266-272
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• 2011

Focal adhesion kinase (FAK) is a potential target for the treatment of primary cancers as well as prevention of tumor metastasis. To understand the structural and chemical features of FAK inhibitors, we report comparative molecular field analysis (CoMFA) for the series of 7H-pyrrolo(2,3-d)pyrimidines. The CoMFA models showed good correlation between the actual and predicted values for training set molecules. Our results indicated the ligand-based alignment has produced better statistical results for CoMFA ($q^2$ = 0.505, $r^2$ = 0.950). Both models were validated using test set compounds, and gave good predictive values of 0.537. The statistical parameters from the generated 3D-QSAR models were indicated that the data are well fitted and have high predictive ability. The contour map from 3D-QSAR models explains nicely the structure-activity relationships of FAK inhibitors and our results would give proper guidelines to further enhance the activity of novel inhibitors.

• Bulletin of the Korean Chemical Society
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• 제35권2호
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• pp.448-456
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• 2014

A series of seven Ru(II) complexes bearing NHC ligands have been synthesized. The electronic structures of these complexes were analysed by spectroscopic and electrochemical methods and further examined by theoretical calculations. Data show that absorption maxima are dependent on the HOMO level rather than the HOMO-LUMO gaps.

• Bulletin of the Korean Chemical Society
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• 제24권1호
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• pp.32-36
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• 2003

Co nanoparticles were prepared by the reverse micelle technique (NaBH₄reduction of cobalt chloride in a reversed micelle solution of didodecyldimethylammoniumbromide (DDAB)/toluene). The size and the shape of Co nanoparticles could be easily controlled by changing the water contents and micelle concentrations, and the solubility of Co nanoparticles was systematically tuned by choosing appropriate surface capping organic ligand molecules. Furthermore, a novel nanofabrication process was clearly demonstrated, which generated oxide over-coated Co nanorods from Co nanoparticles in organic solution by slow oxidation with an external magnetic field.

• Bulletin of the Korean Chemical Society
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• 제13권1호
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• pp.80-83
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• 1992

The secondary nitrogen donors of the Ni(II) complexes of macrotricyclic ligands 8-methyl-1,3,6,8,10,13,15-heptaazatricyclo $[13.1.1.1^{13,15}]$octadecane (A) and 1,3,6,9,11,14-hexaazatricyclo $[12.2.1.1^{6,9}]$octadecane (B) are N-alkylated and the Ni(II) complexes of $N-Me_2A,\;N-Et_2A,\;and\;N-Me_2B$ are obtained. The Ni(II) complexes of $N-Me_2A\;and\;N-Et_2A$ are stable in acidic aqueous solutions while that of $N-Me_2B$ decomposes relatively rapidly. The N-alkylation leads to the decrease in the ligand field strength as well as an anodic shift in both of the oxidation and the reduction potentials of the Ni(II) complexes.

• Bulletin of the Korean Chemical Society
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• 제16권6호
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• pp.518-523
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• 1995

New square planar nickel(Ⅱ) complexes with various 1-alkyl (4a-4c) and 1-hydroxyalkyl (4d-4f) derivatives of the 14-membered pentaaza macrocycle 8-ethyl-8-nitro-1,3,6,10,13-pentaazacyclotetradecane have been synthesized by two-step metal template condensation reactions of ethylenediamine, nitroethane, formaldehyde, and appropriate primary amines. The nitro group and/or hydroxyl group of 4a-4f are not directly involved in the coordination. The nickel(Ⅱ) complexes exist in coordinating solvents such as MeCN, Me2SO, and H2O as equilibrium mixtures of the square planar [Ni(L)]2+(L=4a-4f) and octahedral species [Ni(L)S2]2+(S=solvent molecule). Although the ligand field strength and redox potentials of the complexes are not affected by the nature of the substituents, the formation of octahedral species for 4d-4f in MeCN is strongly restricted by the hydroxyl group. Synthesis, characterization, and solution behaviors of the nickel(Ⅱ) complexes are described.

• Bulletin of the Korean Chemical Society
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• 제16권3호
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• pp.211-214
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• 1995

The catalytic activities of palladium(0,Ⅰ,Ⅱ)-diphosphine complexes were investigated in styrene oxidation using H2O2 as terminal oxidant. The rates showed a dependence on the chelate ring patterns of complexes (PdCl2L); 5-membered ring (L=dppe: 1,2-bis(diphenylphosphino)ethane) < 6-membered ring (L=dppp: 1,3-bis(diphenylphosphino)propane) < 4-membered ring (L= dppm: bis(diphenylphosphino)methane). This sequence correlates with the ligand field strength and interactions between metal and phosphine ligands. Pd(Ⅱ,Ⅰ)-diphosphine complexes which are capable of making 4-membered chelate ring showed an enhancement of catalytic activities for styrene oxidation. The catalytic activities of Pd(0,Ⅰ,Ⅱ)-diphosphine complexes are described in terms of electronic and steric factors.