• 한국진공학회:학술대회논문집
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• 한국진공학회 2011년도 제41회 하계 정기 학술대회 초록집
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• pp.205-205
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• 2011

The self-assembly of ${\gamma}$-phenylalanine on Au(111) at 150 K was investigated using scanning tunneling microscopy (STM). Phenylalanine can potentially form two-dimensional (2D) molecular networks through hydrogen bonding (through the carboxyl and amino groups) and ${\pi}-{\pi}$ stacking interactions (via aromatic rings). We found that ${\gamma}$-phenylalanine molecules self-assembled on Au(111) surfaces into well-ordered structures such as ring-shaped clusters (at low and intermediate coverages) and 2D molecular domains (intermediate and monolayer coverages), whereas ${\alpha}$-phenylalanine molecules formed less-ordered structure on Au(111). The self-assembly of ${\gamma}$- but not ${\alpha}$-phenylalanine may be related to the flexibility of the carboxyl and amino groups in the molecule. Moreover, as expected, the 2D molecular network of ${\gamma}$-phenylalanine on Au(111) was mediated by a combination of hydrogen bonding and ${\pi}-{\pi}$ stacking interactions.

• Bulletin of the Korean Chemical Society
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• 제15권11호
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• pp.967-971
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• 1994

The stability constants, log K of the 1 : 1 complexation for IA ions, $Ag^+$, and $Tl^+$ with a series of podands having different aromatic end-groups (I-IV) have been determined conductometrically in methanol at 25.0 $^{\circ}$C. Exceptionally the equivalent conductivity, ${\lambda}_{eq}\;of\;Li^+\;and\;Na^+$ were increased by the addition of I, because the complexed ions are less mobile than solvated ions. The order of log K values for I was $Ag^+{\gg}Tl^+>K^+>Na^+>Rb^+>Cs6+>Li^+$. The log K sequence of the podands for the certain cations was I>II>III${\geq}$IV. And every podands except IV showed the maximum selectivity for $Ag^+$ among the cations. These results were discussed in terms of the aromatic end-group effects, such as hetero-donor atoms or conformational changes by ${\pi}-{\pi}$ stacking interactions. The detailed conformations of ${\pi}-{\pi}$ stacking were also discussed by the observations of upfield shifts of some aromatic protons upon complexation from $^1H$ NMR spectra.

• 폴리머
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• 제30권5호
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• pp.380-384
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• 2006

구조가 제어된 polyhedral oligomeric silsesquioxane (POSS)을 무기물로 폴리스티렌(PS)을 유기고분자로 사용하여 유기용매에 가역적으로 용해될 수 있는 새로운 유기-무기 나노복합재료를 합성하였다. 페닐기가 도입된 POSS와 PS와의 복합화에서는 다양한 중량비에서 투명하고, 균일한 복합재료를 얻을 수 있었다. 반면에 사이클로헥실기가 도입된 POSS와 PS와의 복합화에서는 불투명하구 불균일한 복합체를 얻었다. 따라서 페닐기가 도입된 POSS와 PS간의 물리적인 결합(physical bonding), 즉 aromatic(${\pi}-{\pi}$) 결합을 통하여 지금까지 유기물질과 무기물질을 복합화하기 위해 주로 사용되었던 화학결합(chemical bonding) 없이도 두 성분이 서로 균일하게 나노 크기로 혼성된 새로운 나노복합재료를 제조할 수 있었다. 또한 POSS를 이용해 얻어진 나노복합체는 기존의 솔-젤(sol-gel)방법으로 얻어진 복합체와는 달리, 용매에 다시 녹고 물리적인 결합을 이용했기 때문에 가역적으로 반복해서 복합재료를 만들 수 있는 장점을 가지고 있었다. 합성되어진 복합재료의 균일성과 분산성은 시차 주사열분석기(DSC)와 주사전자현미경(SEM) 및 X-선 회절분석기(XRD)에 의해 확인하였다.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2012년도 제43회 하계 정기 학술대회 초록집
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• pp.71-71
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• 2012

Chemically modified graphene has been great interest for the application of printed electronics using solution prossesable technique. Here, we demonstrate a large area graphene exfoliation method with fewer defects on the basal plane by application of shear stress in solution to obtain high quality reduced graphene oxide (RGO). Moreover, we introduce a novel route to preparing highly concentrated and conductive RGO in various solvents by monovalent cation-${\pi}$ interaction. Noncovalent binding forces can be induced between a monopole (cation) and a quadrupole (aromatic ${\pi}$ system). The stability of this RGO dispersion was more sensitive to the strength of the cation-${\pi}$ interactions than to the cation-oxygen functional group interactions. The RGO film prepared without a post-annealing process displayed superior electrical conductivity of 97,500 S/m. Our strategy can facilitate the development of large scalable production methods for preparing printed electronics made from high-quality RGO nanosheets.

• 한국환경과학회지
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• 제12권8호
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• pp.871-879
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• 2003

The complexation of co-contaminant mixtures between Ag(I) and polycyclic aromatic hydrocarbon (PAH) molecules (naphthalene, pyrene, and perylene) were investigated to quantify the equilibrium constants of their complexes and elucidate the interactions between Ag(I) and PAH molecules. The apparent solubilities of PAHs in aqueous solutions increased with increasing Ag(I) ion concentration. The values, K$_1$ and K$_2$ of equilibrium constants of complexes of Ag(I)-PAHs, were 2.990 and 0.378, 3.615 and 1.261, and 4.034 and 1.255, for naphthalene, pyrene, and perylene, respectively, The K$_1$and K$_2$ values of PAHs for Ag(I) increased in the order of naphthalene ＜ pyrene ＜ perylene and naphthalene ＜ pyrene ≒ perylene, respectively, indicating that a larger size of PAH molecule is likely to have more a richer concentration of electrons on the plane surfaces which can lead to stronger complexes with the Ag(I) ion. For the species of Ag(I)-PAH complexes, a 1:1 Ag(I) : the aromatic complex, AgAr$\^$＋/, was found to be a predominant species over a 2:1 Ag(I) : aromatic complex, Ag$_2$Ar$\^$＋＋/. The PAH molecules with four or more aromatic rings and/or bay regions were observed to have slightly less affinity with the Ag(I) ion than expected, which might result from inhibiting forces such as the spread of aromatic $\pi$ electrons over o wide molecular surface area and the intermolecular electronic repulsion in bay regions.

• Bulletin of the Korean Chemical Society
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• 제34권12호
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• pp.3591-3596
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• 2013

The enantioselective aza-Morita Baylis Hillman reaction of nitroalkene and N-tosylimine catalyzed by thiourea-tertiary amine has been investigated using density functional theory. Enantioselectivity is dominated by the cooperative effect of non-covalent and weak covalent interactions imposed by different units of catalyst. As Lewis base, the tertiary amine unit activates nitroalkene via weak covalent bond. The weak covalent interaction orients the reaction in a major path with smaller variations of this bond. The aromatic ring unit activates N-tosylimine via ${\pi}-{\pi}$ stacking. The non-covalent interaction selects the major path with smaller changes of the efficient packing areas. Thiourea unit donates more compact H-bonded network for species of the major path. The calculated ee value in xylene solution phase (97.6%) is much higher than that in N,N-Dimethylformamide (27.2%). Our conclusion is also supported by NBO analysis.

• Advances in nano research
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• 제6권4호
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• pp.357-375
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• 2018

Two dimensional (2D) atomic layered nanomaterials exhibit some of the most striking phenomena in modern materials research and hold promise for a wide range of applications including energy and biomedical technologies. Graphene has received much attention for having extremely high surface area to mass ratio and excellent electric conductivity. Graphene has also been shown to maximize the activity of surface-assembled metal nanoparticle catalysts due to its unique characteristics of enhancing mass transport of reactants to catalysts. This paper specifically investigates the strategy of pre-formed nanoparticle self-assembly used for the formation of various metal nanoparticles supported on graphene families such as graphene, graphene oxide, and reduced graphene oxide and aims at understanding the interactions between ligand-capped metal nanoparticles and 2D nanomaterials. By varying the functional groups on the ligands between alkyl, aromatic, amine, and alcohol groups, different interactions such as van der Waals, ${\pi}-{\pi}$ stacking, dipole-dipole, and hydrogen bonding are formed as the 2D hybrids produced.

• Bulletin of the Korean Chemical Society
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• 제32권1호
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• pp.162-168
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• 2011

Many ligands have been experimentally designed and tested for their activities as inhibitors against bacterial enoyl-ACP reductase (FabI), ENR. Here the binding energies of the reported ligands with the E. coli ENR-$NAD^+$ were calculated, analyzed and compared, and their molecular dynamics (MD) simulation study was performed. IDN, ZAM and AYM ligands were calculated to have larger binding energies than TCL and IDN has the largest binding energy among the considered ligands (TCL, S54, E26, ZAM, AYM and IDN). The contribution of residues to the ligand binding energy is larger in E. coli ENR-NAD+-IDN than in E. coli ENR-$NAD^+$-TCL, while the contribution of $NAD^+$ is smaller for IDN than for TCL. The large-size ligands having considerable interactions with residues and $NAD^+$ have many effective functional groups such as aromatic $\pi$ rings, acidic hydroxyl groups, and polarizable amide carbonyl groups in common. The cation-$\pi$ interactions have large binding energies, positively charged residues strongly interact with polarisable amide carbonyl group, and the acidic phenoxyl group has strong H-bond interactions. The residues which have strong interactions with the ligands in common are Y146, Y156, M159 and K163. This study of the reported inhibitor candidates is expected to assist the design of feasible ENR inhibitors.

• Bulletin of the Korean Chemical Society
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• 제35권1호
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• pp.250-252
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• 2014

Lipoprotein-associated phospholipase A2 (Lp-$PLA_2$) is a crucial enzyme in atherosclerosis as a potential drug target. The most remarkable Lp-$PLA_2$ inhibitory drug is Darapladib. We determined the binding pose of Darapladib to Lp-$PLA_2$ through docking study. Darapladib formed two hydrogen bonding interactions with the side chain of Tyr160 and Gln352 and several pi-pi interactions with aromatic and aliphatic hydrophobic residues of Lp-$PLA_2$. It is known that the dietylpropan-amine moiety of Darapladib has influence on the improvement of its oral bioavailability and we supposed this in our docking results.

• 공업화학
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• 제9권2호
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• pp.207-213
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• 1998

전편의 연구결과[1]를 토대로 또 다른 방법으로써 폴리이미드의 구조를 변화시켜 방향족 폴리벤즈이미다졸(PBI)과의 블렌드들의 상용성 및 상용성을 가져다 주는 상호작용의 세기를 상대적으로 비교하였다. 이 연구에서 방향족 폴리이미드(PI)는 두 개의 디아민인 4,4'-methylene dianiline (4,4'-MDA)과 4,4'-oxydianiline (4,4'-ODA)을 dianhydride인 3,3',4,4'-diphenylsulfone tetracarboxylic dianhydride (DSDA)와의 축합반응을 통하여 용매인 DMAc로 폴리아믹산(PAA)을 합성한 후 열경화하여 얻었다. 이들 폴리아믹산(PAA)을 poly2,2-(m-phenylene)-5,5'-bibenzimidazole (PBI)와 용액 블렌딩하여 PBI/PAA 블렌드를 열경화시켜 PBI/PI의 블렌드로 전환시킨후 상용성을 조사하고 전편의 블렌드에 사용된 폴리이미드[1]와 이 연구에 사용된 폴리이미드의 구조변화에 대한 상호작용의 상대적인 크기를 조사하였다. 연구에 사용된 두 가지 블렌드인 PBI/DSDA+4.4'-MDA (Blend-V)와 PBI/DSDA+4.4'-ODA (Blend-VI)는 사용성을 보였다. 이는 성현된 필름이 투명하고, 전 블렌드 조성에 대해서 하나의 $T_g$를 가지며, 또한 블렌드 조성에 따른 N-H ($3418cm^{-1}$)와 C=O 스트레칭 밴드(1730 및 $1780cm^{-1}$)의 주파수 이동폭이 각각 $39{\sim}40cm^{-1}$, $5{\sim}6cm^{-1}$와 $3{\sim}4cm^{-1}$이었다. 이 연구에 사용된 블렌드들에 대하여 두 성분 고분자간 상호작용의 세기를 실험치와 Fox식으로 계산된 유리전이온도차로 생긴 면적(A), Gordon-Taylor 식에서의 ${\kappa}$ 값, 그리고 관능기인 N-H와 카보닐기의 주파수 이동폭의 변화로 살펴보았다. 이들에 대한 결과로 먼저, 면적 (A)와 ${\kappa}$ 값에 있어서 Blend-V와 Blend-VI이 전편의 블렌드 [1]인 Blend-III와 Blend-IV에 비해 작은 값을 보였다. 또한 관능기의 주파수 이동에 있어서도 이에 대한 결과와 유사한 결과를 보였다. 따라서 블렌드에 사용된 PI의 구조변화에 따라 상호작용이 다른 것은 PI 합성시에 사용된 서로 다른 dianhydride의 구조에서 페닐링 사이에 존재하는 linkage인 C=O보다 $SO_2$가 존재할 때[Fig. 2] 블렌드를 이루는 두 고분자사이의 상호작용인 수소결합력을 약화시키는 spacer로 작용한 것으로 사료된다. 다시 말하면, 전자가 후자보다 더 큰 입체장애를 일으켰기 때문이라 사려된다.