• Molecules and Cells
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• v.38 no.5
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• pp.409-415
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• 2015

Low-barrier hydrogen bonds (LBHBs) have been proposed to have important influences on the enormous reaction rate increases achieved by many enzymes. ${\Delta}^5$-3-ketosteroi isomerase (KSI) catalyzes the allylic isomerization of ${\Delta}^5$-3-ketosteroid to its conjugated ${\Delta}^4$-isomers at a rate that approache the diffusion limit. Tyr14, a catalytic residue of KSI, has been hypothesized to form an LBHB with the oxyanion of a dienolate steroid intermediate generated during the catalysis. The unusual chemical shift of a proton at 16.8 ppm in the nuclear magnetic resonance spectrum has been attributed to an LBHB between Tyr14 $O{\eta}$ and C3-O of equilenin an intermediate analogue, in the active site of D38N KSI. This shift in the spectrum was not observed in Y30F/Y55F/D38N and Y30F/Y55F/Y115F/D38N mutant KSIs when each mutant was complexed with equilenin, suggesting that Tyr14 could not form LBHB with the intermediate analogue in these mutant KSIs. The crystal structure of Y30F/Y55F/Y115F/D38N-equilenin complex revealed that the distance between Tyr14 $O{\eta}$ and C3-O of the bound steroi was within a direct hydrogen bond. The conversion of LBHB to an ordinary hydrogen bond in the mutant KSI reduced the binding affinity for the steroid inhibitors by a factor of 8.1-11. In addition, the absence of LBHB reduced the catalytic activity by only a factor of 1.7-2. These results suggest that the amount of stabilization energy of the reaction intermediate provided by LBHB is small compared with that provided by an ordinary hydrogen bond in KSI.

• Bulletin of the Korean Chemical Society
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• v.33 no.9
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• pp.2917-2924
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• 2012

Four novel metal-organic complexes $[Cd_2(IP)_2(TBZ)_2(H_2O)_2]{\cdot}(H_2O)$ (1), $[Zn_4(IP)_4(TBZ)_4]{\cdot}2(H_2O)$ (2), $[Zn_2(BTC)(TBZ)_2(CO_2H)]$ (3), [Co(PDC)(TBZ)] (4) (where IP = isophthalate; TBZ = thiabendazole; BTC = 1,3,5-benzenetricarboxylate; PDC = pyridine-3,4-dicarboxylate) have been prepared and characterized by IR spectrum, elemental analysis, thermogravimetric analysis, and single-crystal X-ray diffraction. X-ray structure analysis reveals that 1, 2, and 3 are one-dimensional chain polymers, while 4 is a two-dimensional network polymer. The TBZ acts as a typical chelating ligand coordinated to the metal center in all complexes. The 1D chain architecture of 1 is constructed from isophthalates and cadmium atoms. A simultaneous presence of chelating, monodentate and bidentate coordination modes of IP ligands is observed in complex 2. In complex 3, the 16-membered rings are alternately arranged forming an infinite 1D double-chain structure. The 2D skeleton of 4 is formed by cobalt ions as nodes and PDC dianions as spacers, through coordination bonds. The hydrogen bonds and ${\pi}-{\pi}$ stacking play important roles in affecting the final structure where complexes 1 and 3 have 2D supramolecular networks, while complexes 2 and 4 have 3D supramolecular architectures.

• Journal of the Korean Wood Science and Technology
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• v.45 no.4
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• pp.432-443
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• 2017

Maltodextrin and citric acid are two types of natural materials with the potential as an eco-friendly binder. Maltodextrin is a natural substance rich in hydroxyl groups and can form hydrogen bonds with lignoselulosic material, while citric acid is a polycarboxylic acid which can form an ester bond with a hydroxyl group at lignoselulosic material. The combination of maltodextrin and citric acid as a natural binder materials supposed to be increase the ester bonds formed within the particleboard. This research determined to investigate the bonding properties of a new adhesive composed of maltodextrin/citric acid for nipa frond particleboard. Maltodextrin and citric acid were dissolved in distillated water at the ratios of 100/0, 87.5/12.5, 75/25 and 0/100, and the concentration of the solution was adjusted to 50% for maltodextrin and 60% citric acid (wt%). This adhesive solution was sprayed onto the particles at 20% resin content based on the weight of oven dried particles. Particleboards with a size of $25{\times}25{\times}1cm$, a target density $800kg/m^3$ were prepared by hot-pressing at press temperatures of $180^{\circ}C$ or $200^{\circ}C$, a press time of 10 minute and board pressure 3.6 MPa. Physical and mechanical properties of particleboard were tested by a standard method (JIS A 5908). The results showed that added citric acid level in maltodextrin/citric acid composition and hot-pressing temperature had affected to the properties of particleboard. The optimum properties of the board were achieved at a pressing temperature of $180^{\circ}C$ and the addition of only 20% citric acid. The results also indicated that the peak intensity of C=O group increased and OH group decreased with the addition of citric acid and an increase in the pressing temperature, suggesting an interreaction between the hydroxyl groups from the lignocellulosic materials and carboxyl groups from citric acid to form the ester groups.

• Elastomers and Composites
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• v.52 no.3
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• pp.180-186
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• 2017

In this work, the effect of low-temperature dehydration of a poly(styrene-co-styrenesulfonic acid) (PSSA) membrane was investigated by differential scanning calorimetry, fourier transform infrared spectroscopy (FT-IR), electron magnetic resonancespectroscopy (EMR), and $^1H$- and $^{13}C$ solid-state nuclear magnetic resonance spectroscopy. These analyses were performed at room temperature for powdered PSSA specimens with and without dehydration and the following key observations were made. First, FT-IR analysis showed that low-temperature dehydration not only transformed the [${SO_3}^-{\cdots}H^+$] ionic pair in the non-hydrated PSSA to an $SO_3H$ group, but also induced the formation of -C=C- double bonds in the dehydrated PSSA. Second, the ${-SO_3}^{\bullet}$ radical was unambiguously identified by EMR spectroscopy. Third, H-abstraction was detected by $^1H$ magic-angle spinning spectroscopy. Finally, an unexpected color shift from white for the non-hydrated PSSA to a yellowish brown for the dehydrated sample was observed. In order to explain these experimental results, it was proposed that the formation of the intermediate hydrogen ($H^{\bullet}$) or hydroxyl radical ($HO^{\bullet}$) species was initiated by the dehydration process. The sespecies attacked the $SO_3H$ group and the tertiary proton at the ${\alpha}-carbon$, resulting in the formation of $-SO^{\bullet}$ radicals and -C=C- double bonds, which correlated with the color shift in the dehydrated PSSA sample. The semechanisms are useful for understanding the simultaneous loss of an aromatic ring and -SO- groups in the PSSA fuel cell membrane.

• Applied Biological Chemistry
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• v.48 no.4
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• pp.326-330
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• 2005

In the catalytic hydrolysis of 2',3'-cAMP by the Cu(II) complexes of 2,9-(N,N-dimethylethylenediamino)-1,10-phenanthroline (A) and 2,9-(N,N-dimethylethylenediaminomethyl)-1,10-phenanthroline (B) that are designed as a new ligand molecule of artificial DNase, due to the four intramolecular H-bonds forming between amino groups of ligand molecule and phosphoryl group of 2',3'-cAMP. It is anticipated that Cu(II) complexes of (A) and (B) are able to promote a rate that is as much as seventy thousand times faster than the catalytic hydrolysis rate of 2',3'-cAMP by Cu(II) complexes of 2,9-dimethyl-o-phenanthroline.

• The Journal of Korean Institute for Practical Engineering Education
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• v.2 no.1
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• pp.35-41
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• 2010

An enzyme-catalized reaction is usually characterized by a very large increase in the rate and high specificity. Kinetics of simple enzyme-catalized reactions are often referred to as Michelis-Menten kinetics. A chemical that interferes with an enzyme's activity is called inhibitor. There are two types of enzyme inhibitions (viz. reversible and irreversible). If an inhibitor attaches to the enzyme with weak bonds, such as hydrogen bonds, the inhibition is usually reversible. Many enzyme reactions are also inhibited reversibly by their corresponding products. The rate of substrate disappearance together with the rate of product formation may be written by nonlinear differential equations. In the present study, numerical analyses of simple enzyme kinetics and inhibited enzyme kinetics are reported for the purpose of undergraduate education in engineering.

• Bulletin of the Korean Chemical Society
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• v.35 no.7
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• pp.2086-2092
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• 2014

Two novel coordination compounds $[Cu_2(pypya)_3(H_2O)_2]{\cdot}Cl{\cdot}(H_2O)_5$ (1) and $\{[Cd(pypya)(ta)_{1/2}]{\cdot}H_2O\}_n$ (2) (Hpypya=2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)acetic acid, $H_2ta$=terephthalic acid) were synthesized and characterized by single X-ray diffraction. Structure determination reveals that complex 1 and complex 2 crystallize in the triclinic system, with the P-1 space group. The asymmetric unit of 1 contains two Cu(II) ions, and their coordination modes are different. These units of complex 1 are linked together via hydrogen bonds and ${\pi}-{\pi}$ interactions, and the 3D structure of complex 1 was formed. Complex 2, a mononuclear Cd(II) coordination compound, has a 2D structure which was constructed via coordination bonds. TGA and fluorescence spectra analysis of complex 1 and complex 2 have also been studied. In addition, the geometry parameters of complex 1 have been optimized with the B3LYP method of density functional theory (DFT) to explain its coordination behavior. The electronic properties of the complex 1 and ligand Hpypya have been investigated based on the nature bond orbital (NBO) analysis at the B3LYP level of theory. The result verifies that the synergistic effect have occurred in the compound.

• Korean Chemical Engineering Research
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• v.58 no.2
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• pp.176-183
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• 2020

In this study, synthesis of a hydrogel consisted of a coordination bond network between small organic molecules and transition metals had been carried out. By adding a tackifying material to the gel, the potential of the gel to be used as an adhesive material had been also confirmed. Synthesis of the adhesive had been done with simple mixing of 3 components: tannic acid, transition metal, and polymer. The tannic acid molecule possesses multiple hydroxyl groups that can form coordination bonds with the transition metals and hydrogen bonds with the hydrophilic polymers. Due to the morphology of the metal-organic complex and polymer dispersed in water, the fabricated material exhibited high adhesiveness and cohesiveness. Optimizing the rheological property had been conducted for use in adhesive by the synthesis with varying the transition metal (Fe³⁺, Ti⁴⁺), polymer, and treatment conditions. Rheological measurement results demonstrate the promising potential of the material as a bio-compatible and versatile pressure-sensitive adhesive with both high adhesiveness and cohesiveness.

• ETRI Journal
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• v.31 no.6
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• pp.660-666
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• 2009

We investigate the effects of interfacial dielectric layers (IDLs) on the electrical properties of top-gate In-Ga-Zn-oxide (IGZO) thin film transistors (TFTs) fabricated at low temperatures below $200^{\circ}C$, using a target composition of In:Ga:Zn = 2:1:2 (atomic ratio). Using four types of TFT structures combined with such dielectric materials as $Si_3N_4$ and $Al_2O_3$, the electrical properties are analyzed. After post-annealing at $200^{\circ}C$ for 1 hour in an $O_2$ ambient, the sub-threshold swing is improved in all TFT types, which indicates a reduction of the interfacial trap sites. During negative-bias stress tests on TFTs with a $Si_3N_4$ IDL, the degradation sources are closely related to unstable bond states, such as Si-based broken bonds and hydrogen-based bonds. From constant-current stress tests of $I_d$ = 3 ${\mu}A$, an IGZO-TFT with heat-treated $Si_3N_4$ IDL shows a good stability performance, which is attributed to the compensation effect of the original charge-injection and electron-trapping behavior.

• Polymer(Korea)
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• v.37 no.4
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• pp.507-512
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• 2013

A graphene/waterborne polyurethane (WPU) nano composite was prepared by in-situ polymerization of PU and graphene having isocyanate (iGO) group in order to improve physicochemical/electrical characteristics. The properties of the graphene/WPU nanocomposite can effectively be enhanced as compared pristine WPU; up to 57% of tensile strength and $10^2$ fold of electrical conductivity with introduction of 2 wt% graphene. In addition, mechanical/electrical properties of the graphene/WPU nanocompsite were higher than those of graphene/WPU composite prepared by a simple physical blend method. It might attribute to homogeneous dispersion of iGO in the WPU matrix via covalent bonds and hydrogen bonds between WPU and iGO from the results of morphological analysis by scanning electron microscopy (SEM).