• Title/Summary/Keyword: in-group bonds

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A comparative study of pine rosin and glutaraldehyde cross linker on mechanical properties of jute corn starch based biocomposite

  • Karishma M. Sakhare;Suraj R. Bamane;Shashikant P. Borkar
    • Advances in materials Research
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    • v.13 no.4
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    • pp.269-283
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    • 2024
  • Biocompositesmade up of starch and jute fibres are biodegradable and environmentally friendly materials for sustainable development. In this study, corn starch has been separately modified with 15% pine rosin and 40% glutaraldehyde, and 30% glycerol is used as a plasticizer. The composites have been prepared for three different volume proportions of matrix and jute fibre such as 60:40, 70:30 and 80:20 by using a hot compression moulding machine. The effects of pine rosin and glutaraldehyde on mechanical properties have been studied. Pine rosin modified starch jute composites have shown higher tensile and flexural properties as compared with glutaraldehyde modified starch jute composite. The highest tensile strength and modulus are found at 60:40 matrix and jute fibre volume proportion of pine rosin modified starch jute composite which are 13.97 MPa and 782.94 MPa respectively. Similar trends were found in flexural strength and modulus for pine rosin modified starch jute composite having matrix to jute fibre proportion 60:40 which are 29.18 MPa and 1107.76 MPa respectively. But, in case of impact strength, glutaraldehyde modified starch jute composite having matrix to jute fibre proportion 80:20 have shown highest impact strength that is 59.05 KJ/m2. Starch-jute composite with glutaraldehyde shows 33% more water absorbency as compared to composite having pine rosin as cross linker. Highest FTIR graph indicates that the number of -OH group is much lower in case of pine rosin modified starch than glutatraldehyde modified starch which indicates that bonds formed by pine rosin are much stronger than the bonds formed by glutaraldehyde. The surface morphology of the composite was influenced by pine rosin and glutaraldehyde which is shown in the SEM image.

Conformation of Group "a" Epitope in Hepatitis B Surface Antigen

  • Chun, Mun-Ho;Park, Won-Bong;Bok, Jin-Woo;Kim, Ha-Won;Choi, Eung-Chil;Kim, Byong-Kak
    • Archives of Pharmacal Research
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    • v.15 no.4
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    • pp.347-355
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    • 1992
  • To elucidate structure of group "a" epitope, mouse antibodies that express idiotype monoclonal antibody and anti-idiotype monoclonal antibody against the group specific "a" determinant were purified by hydroxyapatite column. To obtain hepatitis B surface antigens (HBsAg). HBsAg positive blood was sequencially purified by ammonium sulfate precipitation, hydroxyapatite, sepharose 4B column chromatography and ultracentrifugation. The major protein (p25) and glycoprotein (gp30) of HBsAg were isolated by concanavalin-A-sepharose 4B. The ability of p25-gp30 among the HBsAg to inhibit the idiotype-anti-idiotype reaction was dependent on conformation, since reduced and alkylated p25-gp30 virtualy lost their inhibitory capacity when compared to native HBsAg. The data suggest that hepatitis B antigen is a conformational antigen critically dependent upon the disulfide bonds of p25-gp30.

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Hydrogen Bonding Dynamics of Phenol-(H2O)2 Cluster in the Electronic Excited State: a DFT/TDDFT Study (전자 여기상태에서 phenol-(H2O)2 크러스터의 수소결합 동력학: DFT/TDDFT 연구)

  • Wang, Se;Hao, Ce;Wang, Dandan;Dong, Hong;Qiu, Jieshan
    • Journal of the Korean Chemical Society
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    • v.55 no.3
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    • pp.385-391
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    • 2011
  • The time-dependent density functional theory (TDDFT) method has been carried out to investigate the excitedstate hydrogen-bonding dynamics of phenol-$(H_2O)_2$ complex. The geometric structures and infrared (IR) spectra in ground state and different electronically excited states ($S_1$ and $T_1$) of the hydrogen-bonded complex have been calculated using the density functional theory (DFT) and TDDFT method. A ring of three hydrogen bonds is formed between phenol and two water molecules. We have demonstrated that the intermolecular hydrogen bond $O_1-H_2{\cdots}O_3-H$ of the three hydrogen bonds is strengthened in $S_1$ and $T_1$ states. In contrast, the hydrogen bond $O_5-H_6{\cdots}O_1-H$ is weakened in $S_1$ and $T_1$ states. These results are obtained by theoretically monitoring the changes of the bond lengths of the hydrogen bonds and hydrogen-bonding groups in different electronic states. The hydrogen bond $O_1-H_2{\cdots}O_3-H$ strengthening in both the $S_1$ and $T_1$ states is confirmed by the calculated stretching vibrational mode of O-H (phenol) being red-shifted upon photoexcitation. The hydrogen bond strengthening and weakening behavior in electronically excited states may exist in other ring structures of phenol-$(H_2O)_n$.

NMR Investigation on the Intermolecular Hydrogen Bondings of the Macrocyclic Compounds Containing Nitrogen-Oxygen Donor Sets (질소-산소 주게 거대고리 화합물의 분자간 수소결합에 관한 NMR 연구)

  • Chang Ju Yoon;Jeong Kim;Si Joong Kim
    • Journal of the Korean Chemical Society
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    • v.29 no.2
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    • pp.151-157
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    • 1985
  • The intermolecular hydrogen bondings of 1,10-diaza-4,7,13,16-tetraoxacyclooctadecane(cryptand 22), 1,7-diaza-4,10,13-trioxacyclopentadecane(cryptand 21), 1,12,15-triaza-5,8-dioxa-3,4:9,10-dibenzocycloheptadecane ($N_3O_2$) and 1,12-diaza-5,8-dioxa-3,4:9,10-dibenzocyclotetradecane ($N_2O_2$) have been studied in chloroform solutions by $^1H$-nmr spectrometry at various temperatures. The molecules dimerize each other with the hydrogen bonds through N-H groups in the dilute solutions. The formation constants of the hydrogen bonds are in the order of cryptand 22 > cryptand 21 > $N_3O_2$ > $N_2O_2$. It appears that the constants depend on the molecular symmetry, the number of N-H group, and the localization of N-H groups in the molecule.

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Hydrothermal Synthesis, Crystal Structure of Four Novel Complexes Based on Thiabendazole Ligand

  • Wei, Shui-Qiang;Lin, Cui-Wu;Yin, Xian-Hong;Huang, Yue-Jiao;Luo, Pei-Qi
    • 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.

Synthesis, Crystal Structure and Characterization of Cu(II) and Cd(II) Coordination Compounds Based on Ligand 2-(3-(Pyridin-2-yl)-1H-pyrazol-1-yl)acetic Acid

  • Zhang, Ya-Jun;Wang, Cui-Juan;Mao, Kai-Li;Liu, Xiao-Lei;Huang, Shuai;Tong, Yan;Zhou, Xian-Li
    • 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.

Disproportionation/Dehydrocoupling of Endocrine Disruptor, Tributyltin Hydride to Polystannanes Using Cp2TiCl2/N-Selectride (Cp' = Cp' = C5H5, Cp; Me-C5H4, Me-Cp; Me5C5, Cp*) Catalyst

  • Park, Jaeyoung;Kim, Seongsim;Lee, Beomgi;Cheong, Hyeonsook;Lee, Ki Bok;Woo, Hee-Gweon
    • Journal of Integrative Natural Science
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    • v.6 no.1
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    • pp.34-38
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    • 2013
  • Tributyltin hydride ($n-Bu_3SnH$), an endocrine disruptor, was slowly polymerized by the group 4 ${Cp^{\prime}}_2TiCl_2/N$-selectride (Cp' = $C_5H_5$, Cp; $Me-C_5H_4$, Me-Cp; $Me_5C_5$, $Cp^*$) catalyst combination to give two phases of products: one is an insoluble cross-linked solid, polystannane in 3-25% yield as minor product via disproportionation/dehydrocoupling combination process, and the other is an oil, hexabutyldistannane in 65-90% yield as major product via simple dehydrocoupling process. Disproportionation/dehydrocoupling process first produced a low-molecular-weight oligostannane possessing partial backbone Sn-H bonds which then underwent an extensive cross-linking reaction of backbone Sn-H bonds, resulting in the formation of an insoluble polystannane. The disproportionation/dehydrocoupling of a tertiary hydrostannane mediated by early transition metallocene/inorganic hydride is quite unusual and applicable.

Theoretical Studies on the A2 Hydrolysis of Methyl Acetimidate

  • Ikchoon Lee;Chang Kon Kim;Bon-Su Lee
    • Bulletin of the Korean Chemical Society
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    • v.11 no.3
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    • pp.194-200
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    • 1990
  • Various mechanistic aspects of the A2 hydrolysis of methyl acetimidate were explored using the MNDO method. As in thecorresponding reactions of acetamide and methyl carbamate, a proton transfer pre-equilibrium exists between the N-protonated and the O-protonated tautomers, and the subsequent hydrolysis proceeds from the more stable N-protonated form. Of the two reaction pathways, the $A_{AL}2$ path is favored in the gas phase and in concentrated acid solutions, whereas the $A_{AC}2$ path is favored in less acidic solutions with a stable cationic tetrahedral intermediate formed in the rate determining step. Negative charge development on the alkoxy oxygen in the transition state suggested a rate increase with the increase in the electron withdrawing power of the alkoxy group. Calculations on the reaction processes with AM1 indicated that MNDO is more reliable in this type of work, although AM1 is better than MNDO in reproducing hydrogen bonds.

Emerging roles of protein disulfide isomerase in cancer

  • Lee, Eunyoug;Lee, Do Hee
    • BMB Reports
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    • v.50 no.8
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    • pp.401-410
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    • 2017
  • The protein disulfide isomerase (PDI) family is a group of multifunctional endoplasmic reticulum (ER) enzymes that mediate the formation of disulfide bonds, catalyze the cysteine-based redox reactions and assist the quality control of client proteins. Recent structural and functional studies have demonstrated that PDI members not only play an essential role in the proteostasis in the ER but also exert diverse effects in numerous human disorders including cancer and neurodegenerative diseases. Increasing evidence suggests that PDI is actively involved in the proliferation, survival, and metastasis of several types of cancer cells. Although the molecular mechanism by which PDI contributes to tumorigenesis and metastasis remains to be understood, PDI is now emerging as a new therapeutic target for cancer treatment. In fact, several attempts have been made to develop PDI inhibitors as anti-cancer drugs. In this review, we discuss the properties and diverse functions of human PDI proteins and focus on recent findings regarding their roles in the state of diseases including cancer and neurodegeneration.

A STUDY ON THE EFFECT OF GLASS INSERTS ON MARGINAL LEAKAGE OF COMPOSITE RESIN RESTORATION (복합레진 충전시 Glass Inserts의 적용이 변연누출에 미치는 영향에 관한 연구)

  • Kim, Yong-Cheol;Kim, Yong-Kee
    • Journal of the korean academy of Pediatric Dentistry
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    • v.24 no.2
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    • pp.383-404
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    • 1997
  • In this study, we tried to compare the effect of glass inserts on marginal leakage of composite resin restoration by comparing with that of several filling methods. The results obtained from this experiment were as follows ; 1. The degree of microleakage measured in glass inserts group was generally lower than that of the other groups. Statistical analysis showed significant intergroup difference between glass inserts and one complete unit, pre-polymerized composite resin ball(P<.05), but no significant difference between groups of glass inserts and increments(P>.05). 2. Scanning electron microscopic observation showed relatively large gap around resin-tooth interface in specimens restored the method of using the one complete unit and pre-polymerized composite resin ball whereas a denser and tighter was observed in increments and glass inserts group. Generally the gingival margin was shown to have better bonds than the occlusal margin in specimen of all groups. 3. In the present experiment, methods using the techniques of glass inserts and increments were evaluated to be superior to those of one complete unit, pre-polymerized composite resin ball in the aspect of microleakage. However, the result of this study could not determine the superiority of the use of glass inserts over incremental method. Besides the physical properties observed in this study, the practical aspect of clinical convenience should be considered in determining the selection of material.

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