• Title/Summary/Keyword: Hydrogen-bonding

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Preparation of Molecularly Imprinted Poly(methacrylic acid) and Its HPLC Separation Characteristics of Retinoids (분자각인 Poly(methacrylic acid)의 제조 및 레티노이드 화합물의 HPLC 분리 특성)

  • 남기훈;권영돈;김덕준
    • Polymer(Korea)
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    • v.26 no.6
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    • pp.710-717
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    • 2002
  • Molecularly imprinted polymers were prepared in particle forms by crosslinking methacrylic acid (MAA)) using all trans-retinoic acid as a template. The HPLC column packed with the prepared molecular imprinted polymers showed high capability in separation of retinoid derivatives. The column capacity factor and selectivity increased with increasing MAA to template ratio when the incorporated template amount was fixed, as it statistically generated more binding sites between host molecules and template. Molecularly imprinted polymer particles prepared via an emulsion polymerization method were round-shaped and their sizes were more uniformly distributed, but their separation capability was inferior to those obtained by solution polymerization method. It was presumably because the loss of interaction strength between MAA and the template due to hydrogen bonding either between MAA and water or between template and water during the synthesis of molecularly imprinted polymers.

Surface Characterization of the d-PMMA Thin Films Treated by Oxygen Plasma (산소 플라즈마 처리된 d-PMMA 박막의 표면특성 분석)

  • Kim, Soong-Hoon;Choi, Dong-Jin;Lee, Jeong-Su;Choi, Ho-Suk
    • Polymer(Korea)
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    • v.33 no.3
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    • pp.263-267
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    • 2009
  • In order to improve the hydrophilic property on the surface of d-PMMA(deuterated poly-(methyl methacrylate)) film, it was exposed to oxygen plasma, All experimental conditions were same except to plasma exposure time that was varied from 0 to 180 s, The effects according to the exposure time were identified using contact angles, X-ray reflectometer(XRR), neutron reflectometer(NR), and X-ray photoelectron spectroscopy(XPS). By confirming that as the exposure time increases, water contact angle decreases while the composition of oxygen increases, it was confirmed that the composition of oxygen has a huge influence on improving the hydrophilic property. The physical characters as a function of the exposure time were investigated by the XRR. By analyzing complementally the results of the XRR, NR, and XPS, more detailed chemical bonding conditions were studied by obtaining not only composition of the carbon and oxygen but that of the hydrogen.

The effect of calcium concentration and temperature on the gelation of Aigeok Polysaccharide (Aigeok polysaccharide의 겔화에 미치는 칼슘농도와 온도의 효과)

  • Lee, Hyang-Aee;Kim, Keyng-Yi
    • Korean Journal of Food Science and Technology
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    • v.33 no.1
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    • pp.7-11
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    • 2001
  • The influence of temperature and calcium concentration on the gelation kinetics of purified Aigeok system has been investigated by small deformation oscillatory measurement. DE(degree of esterification) of the present sample was indicated of low methoxyl Aigeok polysaccharide by FT-IR. The calcium induced gelation of Aigeok has been studied. Both moduli reached the saturation value during the period of experiments. Rate constant increased with increasing calcium concentration, however above 4.08 mM calcium chloride caused a sudden drop in gel strength. The experimental result that the decrease in gel strength at high calcium concentration was seems to be phase separation or competitive inhibition between calcium ions. The storage and loss shear moduli decreased with increasing temperature. The rate constant of Aigeok system remarkably dropped above $35^{\circ}C$. Thus hydrogen bonding is prior to hydrophobic interaction for Aigeok molecule.

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Near-IR Spectroscopic Studies of the Hydrogen Bonding between Thioacetamide and N,N-Dimethylacetamide in $CCl_4$ ($CCl_4$중에서 Thioacetamide와 N,N-Dimethylacetamide사이의 수소 결합에 관한 분광학적인 연구)

  • Kang Bong Lee;Byung-Chul Kim;Chang-ju Yun;O. D. Bonner;Young-Sang Choi
    • Journal of the Korean Chemical Society
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    • v.30 no.6
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    • pp.510-515
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    • 1986
  • Spectra for the $v_3$+ Amide II combination band of thioacetamide(TA) were obtained in carbon tetrachloride solutions and in very dilute solutions of TA-N,N-dimethlylacetamide (DMA) in carbon tetrachloride in the range of 5~55$^{\circ}$C. The combination band in the three component system can be resolved into components due to monomeric TA, 1 : 1 TA-DMA complex and 1 : 2 TA-DMA complex. In the dilute solutions the experimental spectrum was resolved by using the computer into its two Lorentzian-Gaussian product components which have been identified with the monomeric TA and the 1 : 1 complex. The equilibrium constants and thermodynamic parameters of 1 : 1 complex were determined by analysis of concentration and temperature dependent spectra. The ${\Delta}H^{\circ}$ and ${\Delta}S^{\circ}$ for the 1 : 1 complex were -14.4 KJ mol$^{-1}$ and -15.6 J mol$^{-1}deg^{-1}$, respectively.

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Evaluation of Molecular Structural Changes in Starch Depending on Amylose Content Using Dynamic Light Scattering (동적광산란법을 이용한 아밀로즈 함량에 따른 전분 분자 구조 변화 분석)

  • Moon, Ju-Hyeon;Ma, Jin-Gyeong;Kim, Jong-Yea
    • Journal of the Korean Society of Food Science and Nutrition
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    • v.46 no.5
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    • pp.653-658
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    • 2017
  • To evaluate the effects of amylose content and dissolution media on the molecular structure of maize starch, changes in the hydrodynamic diameter of starch molecules were assessed via dynamic light scattering depending on amylose content and dissolution media. As the amylose content of starch increased, the hydrodynamic diameter of starch molecules proportionally decreased from 204 to 92 nm. To alter ionic strength, hydrogen bonding, or polarity of dissolution media, various contents of NaCl (1, 2, or 3 M), urea (1, 2, or 3 M), or 1-butanol (0.1, 0.5, or 1.0%) were added to media, respectively, resulting in increased hydrodynamic diameter of starch. However, the degree of expansion was dependent on amylose content and the concentration and/or type of additive. The hydrodynamic diameter of starch molecules exhibited significant correlation with amylose content obtained by size exclusion chromatography, regardless of dissolution conditions.

In Silico Study of miRNA Based Gene Regulation, Involved in Solid Cancer, by the Assistance of Argonaute Protein

  • Rath, Surya Narayan;Das, Debasrita;Konkimalla, V Badireenath;Pradhan, Sukanta Kumar
    • Genomics & Informatics
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    • v.14 no.3
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    • pp.112-124
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    • 2016
  • Solid tumor is generally observed in tissues of epithelial or endothelial cells of lung, breast, prostate, pancreases, colorectal, stomach, and bladder, where several genes transcription is regulated by the microRNAs (miRNAs). Argonaute (AGO) protein is a family of protein which assists in miRNAs to bind with mRNAs of the target genes. Hence, study of the binding mechanism between AGO protein and miRNAs, and also with miRNAs-mRNAs duplex is crucial for understanding the RNA silencing mechanism. In the current work, 64 genes and 23 miRNAs have been selected from literatures, whose deregulation is well established in seven types of solid cancer like lung, breast, prostate, pancreases, colorectal, stomach, and bladder cancer. In silico study reveals, miRNAs namely, miR-106a, miR-21, and miR-29b-2 have a strong binding affinity towards PTEN, TGFBR2, and VEGFA genes, respectively, suggested as important factors in RNA silencing mechanism. Furthermore, interaction between AGO protein (PDB ID-3F73, chain A) with selected miRNAs and with miRNAs-mRNAs duplex were studied computationally to understand their binding at molecular level. The residual interaction and hydrogen bonding are inspected in Discovery Studio 3.5 suites. The current investigation throws light on understanding miRNAs based gene silencing mechanism in solid cancer.

A Novel Linking Schiff-Base Type Ligand (L: py-CH=N-C6H4-N=CH-py) and Its Zinc Coordination Polymers:Preparation of L, 2-Pyridin-3-yl-1H-benzoimidazol, trans-[Zn(H2O)4L2].(NO3)2.(MeOH)2[Zn(NO3)(H2O)2(L)].(NO3).(H2O)2 and [Zn(L)(OBC)(H2O)] (OBC = 4,4'-Oxybis(benzoate))

  • Kim, Han-Na;Lee, Hee-K.;Lee, Soon-W.
    • Bulletin of the Korean Chemical Society
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    • v.26 no.6
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    • pp.892-898
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    • 2005
  • A long, bis(monodentate), linking Schiff-base ligand L (py-CH=N-$C_6H_4$-N=CH-py) was prepared from 1,4-phenylenediamine and 3-pyridinecarboxaldehyde by the Schiff-base condensation. Ligand L has two terminal pyridyl groups capable of coordinating to metals through their nitrogen atoms. In contrast, the same reaction between 1,2-phenylenediamine and 3-pyridinecarboxaldehyde produced a mixture of imidazol isomers (2-pyridin-3-yl-1H-benzoimidazole), which are connected to one another by the N-H…N hydrogen bonding to form a tetramer. From Zn($NO_3)_2{\cdot}6H_2O$ and ligand L under various conditions, one discrete molecule, trans- [Zn($H_2O)_4L_2]{\cdot}(NO_3)_2{\cdot}(MeOH)_2$, and two 1-D zinc polymers, [Zn$(NO_3)(H_2O)_2(L)]{\cdot}(NO_3){\cdot}(H_2O)_2$ and [Zn(L) (OBC)($H_2O$)], were prepared. In ligand L, the N$\ldots$N separation between the terminal pyridyl groups is 13.994 $\AA$, with their nitrogen atoms at the meta positions (3,3’) in a trans manner. The corresponding N$\ldots$N separations in its compounds range from 13.853 to 14.754 $\AA$.

Crystal Structures and Magnetic Properties of Sparteinium Tetrahalocuprate Monohydrate Compounds

  • Lee, Yong-Min;Park, Sung-Min;Kang, Sung-Kwon;Kim, Young-Inn;Choi, Sung-Nak
    • Bulletin of the Korean Chemical Society
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    • v.25 no.6
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    • pp.823-828
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    • 2004
  • The crystal structures of sparteinium tetrachlorocuprate monohydrate $[(C_{15}H_{28}N_2)CuCl_4{\cdot}H_2O]$, 1 and sparteinium tetrabromocuprate monohydrate $[(C_{15}H_{28}N_2)CBr_4{\cdot}H_2O]$, 2, were determined. The structures of 1 [orthorhombic, $P2_12_12_1$, a = 8.3080(10) ${\AA}$, b = 14.6797(19) ${\AA}$ and c = 16.4731(17) ${\AA}$], and 2 [orthorhombic, $P2_12_12_1$, a = 8.4769(7) ${\AA}$, b = 15.166(3) ${\AA}$ and c = 16.679(3) ${\AA}$], are composed of a doubly protonated sparteinium cation, $[C_{15}H_{28}N_2]^{2+}$, a discrete $CuX_4^{2-}$ anion $(X=Cl^-\;or\;Br^-)$, and one water molecule. These monomeric compounds are stabilized through various types of hydrogen bonding interaction in their packing structures. Crystal 2 exhibits weak anti-ferromagnetism (J = -3.24 $cm^{-1}$) as opposed to the magnetically isolated paramagnetism observed for 1. The results of comparative magneto-structural investigations of 1 and 2 suggest that the pathway for the weak anti-ferromagnetic super-exchange in 2 might be through a Cu-Br${\cdots}$Br-Cu contact.

Docking Studies of Camptothecin Analogues into Human Topoisomerase I-DNA Complex (Camptothecin 유도체의 Human Topoisomerase I-DNA 복합체에 대한 Docking 연구)

  • Park, In-Seon;Kim, Bo-Yeon;Kim, Choon-Mi;Choi, Sun
    • YAKHAK HOEJI
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    • v.53 no.4
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    • pp.222-227
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    • 2009
  • Human topoisomerase I (Topo I) plays a pivotal role in cell replication, transcription and repair and, therefore, is an important anti-cancer target. 20S-camptothecin (CPT) is a representative Topo I inhibitor. Compounds belonging to CPT family inhibit the religation step of Topo I-DNA by binding to the DNA cleavage site. Computational docking studies with Surflex-Dock were carried out to investigate the binding modes between Topo I-DNA binary complex structure and the ligand such as 20S-CPT and 9,10-substituted 20S-CPT analogues. The docking results demonstrated that most of the compounds with $IC_{50}$ value under $0.5{\mu}M$ intercalated exactly between the -1 and +1 DNA bases, deeply toward the cleavage site. The complex was stabilized by hydrogen-bonding and hydrophobic interactions with both the enzyme and the DNA. The compounds with $IC_{50}$ value above $0.5{\mu}M$ were poorly docked and did not intercalate. In addition, the docking results confirmed the overall correlation between the $IC_{50}$ values and docking scores, indicating the possible use of the modeling for the prediction of biological activity and design of potential inhibitors.

Cure Behaviors and Mechanical Interfacial Properties of Epoxy/Polyurethane Blends Initiated by Latent Thermal Catalyst (열잠재성 개시제에 의한 에폭시/폴리우레탄 블렌드의 경화거동 및 파괴인성)

  • Park, Soo-Jin;Seok, Su-Ja;Kang, Jun-Gil;Kwon, Soo-Han
    • Elastomers and Composites
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    • v.39 no.1
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    • pp.42-50
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    • 2004
  • In this work, the diglycidylether of bisphenol A (DGEBA) and modified polyurethane (PU) blends were initiated by N-benzylpyrazinium hexafluoroantimonate (BPH). The cure and fracture toughness of neat DGEBA with the addition of PU were investigated. The cure properties of DGEBA/PU blend system were examined by DSC and near-IR measurements. The fracture touhtness were investigated by measuring the critical stress intensity factor ($K_{IC}$) and the critical strain energy release rate ($G_{IC}$). According to the results, the maximum values of owe activation energy ($E_a$) and conversion (${\alpha}$) were found at 10 phr of PU. Also the $K_{IC}$ showed a similar behavior with the results of conversion. These results were probably due to increase of crosslinking density in the blends resulted from increase of the hydrogen bonding between the hydroxyl groups of DGEBA and isocyanate groups of PU.