• Bulletin of the Korean Chemical Society
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• v.18 no.9
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• pp.939-945
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• 1997

Several types of 4-substituted-quinoline-2-carboxylic acid derivatives possessing different substituents at C4-position such as sulfonyl, phosphonyl, carbonyl groups, or a flexible alkyl chain have been synthesized and evaluated for their in vitro antagonistic activity at the glycine site on the N-methyl-D-aspartate (NMDA) receptor. Of them, 5,7-dichloro-4-(tolylsulfonylamino)-quinoline-2-carboxylic acid 9 was found to have the best in vitro binding affinity with IC50 of 0.57 μM. On the other hand, in compounds 21 and 22 the introduction of flexible alkyl chains on C4 of the quinoline mother nuclei caused a significant decrease of the in vitro binding affinity. In addition, replacement of polar carboxylic acid group on C2 by neutral bioisosteres in compounds 23a-d also seems to be disadvantageous to in vitro activity. In the structure-activity relationship (SAR) study of the 4-substituted quinoline-2-carboxylic acid acid derivatives, it was realized that the substitution pattern on C4 significantly influences on the binding affinity for the glycine site of NMDA receptor and the binding affinity might be increased by the introduction of a suitable electron rich substituent at C4 which has the ability of H-bonding donor.

• Bulletin of the Korean Chemical Society
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• v.22 no.9
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• pp.984-988
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• 2001

Since anti-angiogenesis could lead to the suppression of tumor growth, angiogenesis inhibitors have received particular attention for their therapeutic potential. In this study, two angiogenic inhibitors using the bioactive sequence from the kring le 5, AK1(KLYDY), AK2(KLWDF) were designed and synthesized. We have investigated their solution structures using NMR spectroscopy and their activities as angiogenesis inhibitors. AK2 has an intramolecular hydrogen bon d between the side chain amino proton of Lys1 and the carboxyl oxygen of Asp4 with a N ${\cdot}{\cdot}{\cdot}$O distance of $3.27\AA$, while AK1 shows more flexible structures than AK2. Indole ring in Trp is much bigger than the phenyl ring in Tyr and may have good face-to-edge interaction enforcing more rigid and constrained conformational features of AK2. Because of this relatively stable structure, Trp3 in AK2 may have better hydrophobic interaction with Phe5 than Tyr3 in AK1 if two adjacent aromatic groups are located in hydrophobic pocket of receptor. Since AK2 shows the similar anti-angiogenic activities to AK1, we are also able to confirm that the activity of AK1 is irrelevant to the Tyr phosphorylation. More rigid drug with higher activities can be provided by the mimetic approaches. For the further development of the angiogenesis inhibitors, these conformational studies on our lead peptides will be helpful in design of peptidomimetics.

• Journal of Industrial Technology
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• v.39 no.1
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• pp.41-45
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• 2019

Hydrogen sulfide ($H_2S$) is mainly produced along with methane and hydrocarbons in many gas fields as well as hydrodesulfurization processes of crude oils containing sulfur compounds and the emission of $H_2S$ has a considerable effect on both environmental problem and human health aspects due to formation of, e.g. acid rain and smog. In recent years, ionic liquids (ILs) have been proposed as the most promising solvents for $CO_2$ and hazardous pollutants capture, such as $H_2S$ and sulfur dioxide ($SO_2$). In this work, we demonstrate the use of the predictive COSMO-SAC model for the prediction of Henry's law constant of $H_2S$ in ILs. Furthermore, the method is used to screen for potential IL candidates for $H_2S$ capture from a set of 2,624 ILs formed from 82 cations and 32 anions. The effects of cation on the Henry's law constant of $H_2S$ such as (i) the variation of the alkyl chain length on cation, (ii) the substituent of methyl group ($-CH_3$) for H in C(2) position and (iii) the change of ring structure for cation family are clearly predicted by COSMO-SAC model.

• Macromolecular Research
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• v.17 no.3
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• pp.156-162
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• 2009

Supramolecular hydrogels were instantaneously fabricated by mixing aqueous solutions of $\alpha$-cyclodextrins ($\alpha$-CDs) and amphiphilic methoxy (polyethylene glycol) (MPEG)-$\varepsilon$-caprolactone (CL) oligomer, which was synthesized via the ring-opening polymerization of the CL monomer using low-molecular-weight MPEG ($M_n$ of MPEG=2,000 g/mol) as an initiator. The supramolecular structure of the hydrogels was revealed by X-ray diffraction (XRD) analyses. Rheological studies of the hydrogels revealed an elastic character when the number of CL units in the oligomer was more than 2, and the obtained hydrogels showed high storage modulus but relatively low shearing viscosity due to the low-molecular-weight character of the oligomer, which was more preferable for use as an injectable delivery system. The physical properties of the hydrogels could be modulated by controlling the chain morphology and concentration of the oligomers, as well as the feed molar ratio of the oligomer to $\alpha$-CD. The components of the supramolecular hydrogels are biocompatible and can readily be eliminated from the body. These features render the supramolecular hydro gels suitable as drug delivery systems and tissue engineering scaffolds.

• Elastomers and Composites
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• v.56 no.3
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• pp.152-163
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• 2021

Liquid butadiene rubber (LqBR) is used as a processing aid and plays a vital role in the manufacture of high-performance tire tread compounds. In this study, center-functionalized LqBR (C-LqBR) was polymerized with different vinyl content via anionic polymerization. The effects of the vinyl content on the properties of the compounds were investigated by partially replacing the treated distillate aromatic extract (TDAE) oil with C-LqBR in silica-filled rubber compounds. C-LqBR compounds showed a low Payne effect and Mooney viscosity regardless of the vinyl content, because of improved silica dispersion due to the ethoxysilyl group. As the vinyl content of C-LqBR increased, the optimum cure time (t₉₀) increased owing to a decrease in the number of allylic hydrogen. Moreover, the glass transition temperature (T_g) of the compound increased, and snow traction and abrasion resistance performance decreased, whereas wet grip improved. The energy loss characteristics revealed that the hysteresis attributed to the free chain ends of C-LqBR was dominant.

• Elastomers and Composites
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• v.56 no.4
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• pp.223-233
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• 2021

In this study, epoxidized liquid isoprene rubber (E-LqIR) was used as a processing aid in a silica-filled natural rubber compound to improve the fuel efficiency, abrasion resistance, and oil migration problems of truck and bus radial tire tread. The wear resistance, fuel efficiency, and extraction resistance of the compound were evaluated according to the molecular weight of E-LqIR. Results of the evaluation showed that the E-LqIR compound had a lower chemical crosslink density than that of a treated distillate aromatic extract (TDAE) oil compound because of the sulfur consumption of E-LqIR. However, the filler-rubber interaction improved because of the reaction of E-LqIR with silica and crosslink with the base rubber by sulfur. As the molecular weight of E-LqIR increased, crosslink with sulfur was facilitated, and the filler-rubber interaction improved, resulting in improved abrasion resistance. The fuel efficiency performance of the E-LqIR compound was poorer than that of the TDAE oil compound because of the low chemical crosslink density and hysteresis loss at the free chain end of E-LqIR. However, the fuel efficiency performance improved as the molecular weight of E-LqIR increased.

• Journal of Hydrogen and New Energy
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• v.29 no.6
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• pp.578-586
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• 2018

In this study, we prepared the modified PBI random copolymer to reduce the problems of the pristine PBI about low solubility and proton conductivity. The random copolymer was synthesized from suberic acid, 5-aminoisophthalic acid, and 3,3'-diaminobenzidine to obtain $X_1Y_9$, $X_1Y_1$, $X_9Y_1$. Then, the membrane was fabricated by using solvent casting method with methanesulfonic acid at $140^{\circ}C$. Subsequently, the membrane was doped with phosphoric acid at $40^{\circ}C$. The chemical structure of the polymers was characterized by FT-IR. In addition, the physiochemical properties of the PBI were investigated by TGA, oxidative stability, acid uptake. Finally, the proton conductivity was measured at $100-180^{\circ}C$ without humidification. As the result, $X_1Y_9$ PBI random copolymer membrane showed higher conductivity.

• Journal of the Korean Magnetic Resonance Society
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• v.22 no.4
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• pp.139-143
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• 2018

Short antimicrobial peptide, A4W, have been studied by molecular dynamics (MD) simulation in an explicit dodecylphosphocholine (DPC) micelle. Peptide was aligned with DPC micelle and transferred new peptide-micelle coordinates within the same solvent box using specific micelle topology parameters. After initial energy minimization and equilibration, the conformation and orientation of the peptide were analyzed from trajectories obtained from the RMD (restrained molecular dynamics) or the subsequent free MD. Also, the information of solvation in the backbone and the side chain of the peptide, hydrogen bonding, and the properties of the dynamics were obtained. The results showed that the backbone residues of peptide are either solvated using water or in other case, they relate to hydrogen bonding. These properties could be a critical factor against the insertion mode of interaction. Most of the peptide-micelle interactions come from the hydrophobic interaction between the side chains of peptide and the structural interior of micelle system. The interaction of peptide-micelle, electrostatic potential and hydrogen bonding, between the terminal residues of peptide and the headgroups in micelle were observed. These interactions could be effect on the structure and flexibility of the peptide terminus.

• Bulletin of the Korean Mathematical Society
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• v.56 no.1
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• pp.131-150
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• 2019

In this paper, we consider the structure of ${\gamma}$-constacyclic codes of length $2p^s$ over the Galois ring $GR(p^a,m)$ for any unit ${\gamma}$ of the form ${\xi}_0+p{\xi}_1+p^2z$, where $z{\in}GR(p^a,m)$ and ${\xi}_0$, ${\xi}_1$ are nonzero elements of the set ${\mathcal{T}}(p,m)$. Here ${\mathcal{T}}(p,m)$ denotes a complete set of representatives of the cosets ${\frac{GR(p^a,m)}{pGR(p^a,m)}}={\mathbb{F}}p^m$ in $GR(p^a,m)$. When ${\gamma}$ is not a square, the rings ${\mathcal{R}}_p(a,m,{\gamma})=\frac{GR(p^a,m)[x]}{{\langle}x^2p^s-{\gamma}{\rangle}}$ is a chain ring with maximal ideal ${\langle}x^2-{\delta}{\rangle}$, where ${\delta}p^s={\xi}_0$, and the number of codewords of ${\gamma}$-constacyclic code are provided. Furthermore, the self-orthogonal and self-dual ${\gamma}$-constacyclic codes of length $2p^s$ over $GR(p^a,m)$ are also established. Finally, we determine the Rosenbloom-Tsfasman (RT) distances and weight distributions of all such codes.

• Microbiology and Biotechnology Letters
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• v.49 no.1
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• pp.9-17
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• 2021

A γ-aminobutyric acid (GABA)-producing microorganism was isolated from galchi (hairtail fish, Trichiurus lepturus) jeotgal, a Korean salted and fermented seafood. The G144 isolate produced GABA excessively when incubated in MRS broth containing monosodium glutamate (MSG, 3%, w/v). G144 was identified as Lactobacillus brevis through 16S rRNA and recA gene sequencing. gadB and gadC encoding glutamate decarboxylase (GAD) and glutamate/GABA antiporter, respectively, were cloned and gadB was located downstream of gadC. The operon structure of gadCB was confirmed by reverse transcription (RT)-polymerase chain reaction. gadB was overexpressed in Escherichia coli and recombinant GAD was purified and its size was 54.4 kDa as evidenced by SDS-PAGE results. Maximum GAD activity was observed at pH 5.0 and 40℃ and the activity was dependent on pyridoxal 5'-phophate. The K_m and V_max of GAD were 8.6 mM and 0.01 mM/min, respectively.