• Bulletin of the Korean Chemical Society
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• v.32 no.1
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• pp.41-48
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• 2011

The wettabilities of the partially fluorinated polymers (ethylene-tetrafluoroethylene copolymer (ETFE), ethylenechlorotrifluoroethylene copolymer (ECTFE), and poly(vinylidene fluoride) (PVDF)) were investigated by contact angle measurements. Zisman plots for ETFE and ECTFE exhibited linear relationships, while the Zisman plot for PVDF showed a slight curvature, which was interpreted to indicate strong non-dispersive interactions between the surface and the contacting liquids. The Lifshitz-van der Waals forces of the fluoropolymers were estimated to increase in the order of ETFE < PVDF $\ll$ ECTFE. An evaluation of the polar or "acid-base" interaction energies showed that PVDF, which possesses the most acidic hydrogens among the examined fluoropolymers, has the strongest acid-base interactions.

• Bulletin of the Korean Chemical Society
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• v.28 no.12
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• pp.2454-2458
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• 2007

Exploring the basic concepts for the design of CO2-philic molecules is important due to the possibility for “green” chemistry in supercritical CO2 as substitute solvent systems. The Lewis acid-base interactions and C?H…O weak hydrogen bonding were suggested as two key factors for the solubility of CO2-philic molecules. We have performed high level quantum mechanical calculations for the van der Waals complexes of CO2 with trimethylphosphate and trimethylphosphine oxide, which have long been used for metal extractants in supercritical CO2 fluid. Structures and energies were calculated using the MP2/6-31+G(d) and recently developed multilevel methods. These studies indicate that the Lewis acid-base interactions have larger impact on the stability of structure than the C?H…O weak hydrogen bonding. The weak hydrogen bonds in trimethylphosphine oxide have an important role to the large supercritical CO2 solubility when a metal is bound to the oxygen atom of the P=O group. Trimethylphosphate has many Lewis acid-base interaction sites so that it can be dissolved into supercritical CO2 easily even when it has metal ion on the oxygen atom of the P=O group, which is indispensable for a good extractant.

• Proceeding of EDISON Challenge
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• 2015.03a
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• pp.151-155
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• 2015

The molecular interactions between the nucleic acid bases and water molecules are important in organism. Despite Adenine-Thymine Hoogsteen base pair and Guanine-Cytosine Watson-Crick base pair have been demonstrated to be most stable in a gas phase, the effect of water on the stability of these base pairs remains elusive. Here we report the structural and thermodynamic characteristics on possible Adenine-Thymine and Guanine-Cytosine base pairs in a gas phase as well as in an aqueous phase by using quantum mechanical method and statistical mechanical calculations. First, we optimized the direct base-pair interaction energies of four Adenine-Thymine base pairs (Hoogsteen base pair, reverse Hoogsteen base pair, Watson-Crick base pair, and reverse Watson-Crick base pair) and three Guanine-Cytosine base pairs (GC1 base pair, GC2 base pair, and Watson Crick base pair) in a gas phase at the $B3LYP/6-31+G^{**}$ level. Then, the effect of solvent was quantified by the electronic reorganization energy and the solvation free energy by statistical mechanical calculations. Thereby, we discuss the effect of water on the stability of Adenine-Thymine and Guanine-Cytosine base pairs, and argue why Adenine-Thymine Watson-Crick base pair and Guanine-Cytosine Watson-Crick base pair are most stable in an aqueous environment.

• Bulletin of the Korean Chemical Society
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• v.18 no.1
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• pp.18-23
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• 1997

Data from structure/activity studies in vir gene induction system have led to evaluate the working hypothesis of interaction between phenolic inducers and phenol binding proteins. The primary specificity in the association of a phenolic inducer with its receptor in our system is hypothesized to be the hydrogen bonding interactions through the ortho methoxy substituents as well as the proton transfer between the inducer and the binding protein. In this paper the proposed working model for phenol-mediating signal transduction was evaluated in several ways. The importance of the general acid-base catalysis was first addressed by the presence of an acidic residue and a basic residue in the phenol binding protein. Series of compounds were tested for vir gene expression activity to confirm the generation of a strong nucleophile by an acidic residue and an involvement of a basic residue as a proton acceptor. An attempt was made to correlate the pKa values of the phenolic compounds with vir gene induction activities as inducers to further support the proposed proton transfer mechanism. Finally, it was also observed that the regioselectively attached methoxy group on phenol compounds is required as the proper hydrogen bond acceptor.

• Bulletin of the Korean Chemical Society
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• v.35 no.1
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• pp.236-242
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• 2014

Isospecific propylene polymerization behavior of meta- and para-Lewis base (E) functionalized unbridged zirconocenes ($[1-(E_n-Ph)-3,4-Me_2C_5H_2]_2ZrCl_2$, E = $NMe_2$, OMe; n = 1 or 2) was investigated under bulk conditions. Catalytic activity of the zirconocenes, and molecular weight and isotacticity of polypropylenes are found to be dependent on the position and number of the Lewis base functional groups in the zirconocenes. All the crude polypropylenes possess a broad molecular weight distribution and multi-melting transitions, indicating an involvement of multi-catalytic active species in the polymerization. The highest [mmmm] value of an isotactic portion of the polypropylenes reached 89%, which is higher than that (85%) from the well-known $C_2$-symmetric EBIZr (rac-$Et(Ind)_2ZrCl_2$) catalyst. These results support that the in situ generated, rigid rac-like cation-anion pair through the Lewis acid-base interactions between the functional groups of zirconocenes and methylaluminoxane anion is effective in the formation of isotactic polypropylene under bulk propylene polymerization conditions.

• Carbon letters
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• v.4 no.1
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• pp.31-35
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• 2003

The specific adsorption behaviors of activated carbons (ACs) treated with 30 wt% $H_3PO_4$ or NaOH were investigated in the removals of NO or $NH_3$. The acid and base values were determined by Boehm's titration method. And, the surface properties of ACs were studied by FT-IR and XPS analyses. Also, $N_2/77K$ adsorption isotherm characteristics, including the specific surface area and micropore volume were studied by BET and t-plot methods, respectively. From the adsorption tests of NO and $NH_3$, it was revealed in the case of acidic treatment on ACs that the $NH_3$ removal was more effective due to the increase of acidic functional groups in carbon surfaces. Also, the NO removal was increased, in the case of basic treatment, due to the improvement of basic functional groups, in spite of significant decreases of BET's specific surface area and total pore volume. It was found that the adsorption capacity of ACs was not only determined by the textural characteristics but also correlated with the surface functional groups in the acid-base intermolecular interactions.

• Journal of The Korean Association For Science Education
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• v.28 no.1
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• pp.67-74
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• 2008

The purpose of this study was to investigate the effects of an MBL instrument in laboratory execution by analyzing an experimental time and student to student interactions in the MBL and traditional method of the acid-base titration experiment. The MBL method used a conductivity sensor and the traditional method used a current meter on the HCl/NaOH titrations. In comparison of the two methods, the traditional method required more time than the MBL and most of the extra time were used in the execution. In the execution, the MBL method showed more numbers of student to student interaction and higher level of verbal interaction than the traditional method.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.17 no.1
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• pp.433-440
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• 2016

Composite membranes were prepared by the solution casting method from sulfonated poly(etheretherketone)(sPEEK) and imidazole and phosphotungstic acid(PWA) to enhance the electrolytic properties of the membrane. TGA measurements showed that physical crosslinking due to acid-base interactions improved the thermal resistance to the desulfonation of sulfonic acid groups of the composite membrane and the addition of PWA enhanced the resistance to thermal decomposition of the composite membrane. The acid-base interaction decreased the water uptake, proton conductivity and methanol permeability of the sPEEK/imidazole composite membranes. The addition of PWA increased the proton conductivities while it decreased the water uptake and methanol permeability of sPEEK/imidazole/PWA composite membranes. Therefore, the selectivity of the composite membranes was enhanced by the addition of PWA.

• BMB Reports
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• v.41 no.1
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• pp.48-54
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• 2008

PM0188 is a newly identified sialyltransferase from P. multocida which transfers sialic acid from cytidine 5'-monophosphonuraminic acid (CMP-NeuAc) to an acceptor sugar. Although sialyltransferases are involved in important biological functions like cell-cell recognition, cell differentiation and receptor-ligand interactions, little is known about their catalytic mechanism. Here, we report the X-ray crystal structures of PM0188 in the presence of an acceptor sugar and a donor sugar analogue, revealing the precise mechanism of sialic acid transfer. Site-directed mutagenesis, kinetic assays, and structural analysis show that Asp141, His311, Glu338, Ser355 and Ser356 are important catalytic residues; Asp141 is especially crucial as it acts as a general base. These complex structures provide insights into the mechanism of sialyltransferases and the structure-based design of specific inhibitors.

• Proceedings of the Membrane Society of Korea Conference
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• 1998.04a
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• pp.89-92
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• 1998

1. Introduction : Among many azeotropic compounds, pyridine which forms an azeotropic mixture with three moles of water boiling at 92-93$\circ$C is very useful synthetic intermediate in laboratory and industry. With conventional separation method, the dehydration of pyridine aqueous solution is difficult and requires strong drying chemicals. To overcome these difficulties, several researchers have investigated on the separation of pyridine from aqueous solution through polymer membranes. Kujawski reported several ion-exchang membranes containing carboxylic and sulfonic fuctional group for dehydration of aqueous pyridine solution [1]. We have applied the idea of activation of water tranport through ion-dipole interactions between polymer membrane and aclueous feed. Our previous studies reported on the in-situ complex membrane to separate water from aqueous pyridine solution based on simple acid'-base theory [2, 3]. Water transport was enhanced through in-situ complex formation between the , acid moiety in the membrane and the incoming pyridine moiety in the feed.