• Proceedings of the Korean Institute of Building Construction Conference
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• 2023.05a
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• pp.255-256
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• 2023

The development of corrosion inhibitors with outstanding performance is a never-ending and complex process engaged in by researchers, engineers and practitioners. Computational assessment of organic corrosion inhibitors performance is a crucial step towards the design of new task-pecific materials. Herein, electronic features, adsorption characteristics and bonding mechanisms of two pyridine oximes, namely 2-pyridylaldoxime (2POH) and 3-pyridylaldoxime (3POH) with the iron surface were investigated using molecular dynamics (MD), and self-consistent-charge density-unctional tight-binding (SCC-DFTB) simulations. SCC-DFTB simulations revealed that 3POH molecule can form covalent bonds with iron atoms in its neutral and protonated states, while 2POH molecule can only bond with iron through its protonated form, resulting in interaction energies of -2.534, -2.007, -1.897, and -0.007 eV for 3POH, 3POH+, 2POH+, and 2POH, respectively. Projected density of states (PDOSs) analysis of pyridines-Fe(110) interactions indicated that pyridine molecules chemically adsorbed on the iron surface.

• Analytical Science and Technology
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• v.7 no.3
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• pp.329-338
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• 1994

The retention behaviors of natural gas components were studied on a single column by gas chromatography. The dead time, $t_0$ was obtained by using extrapolation of homologous series to determine capacity factors. The plots of retention data for homologous series and carbon number at different temperatures were shown to converge into a single point, which point was determined as a dead time. The results of the effect of temperature on the column efficiency for n-butane exhibited the plate number, N incerased with temperature, but the resolution among the fast eluted components decreased. The adsorption enthalpy (${\Delta}H^0{_{ads}}$) for each component on 28% DC 200 stationary phase was determined, and in order to investigate the retention behaviors of natural gas components the regression analysis of log $t_R$, log k' and log ${\alpha}$ vs. van der Waals volume(Vw), molecular connectivity index(X) and hydrophobic fragmental constant(f) were carred out. Good correlation was found between log k' vs. Vw, and log k' vs. f. The correlations between the physical properties of natural gas and the physical parameters were investigated by the linear regression analysis. The relationships between Vw vs. molecular weight and heating value(${\Delta}H_{comb}$), X vs. boiling point, and f vs. molecular weight, boiling point and heating value exhibited the high correlation coefficient more than 0.99. Using the regression equation between the heating value of natural gas and Vw the predicted heating values from $C_6$ to $C_{10}$ showed good agreement with those reported in the literature within 0.2% relative error.

• Applied Chemistry for Engineering
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• v.7 no.2
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• pp.299-307
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• 1996

The surface tension of PO added sodium poly(oxyethylene(EO), oxyisopropylene(PO)) dodecyl ether sulfate firstly were slightly lower than EO added sulfate in the concentration range of $10^{-6}{\sim}10^{-3}mol/{\ell}$. And they had lower critical micelle concentration ($10^{-4}{\sim}9{\times}10^{-5}mol/{\ell}$) than general anionic surfactants. The adsorptivity ($2.2{\times}10^{-10}mol/cm^2$) of sodium $(PO)_{10}(EO)_5$ dodecyl ether(compound of PO addition firstly) calculated by Gibbs' adsorption isotherm were higher than that of sodium $(EO)_{10}(PO)_5$, dodecyl ether(compound of EO addition firstly), but were lower than that of sodium dodecyl sulfate (${\Gamma}=3.2{\times}10^{-10}mol/cm^2$). These could be understood that the adsorption areas of compounds were very large because of their high molecular weight. Moreover, PO compounds showed better properties than EO compounds in foamability, emulsifying power for organics (n-hexane, benzene), detergency for the lard, tallow oil mixture and dispersability for iron oxide. It was interpreted in terms of surface properties of the PO compounds. These showed that the interfacial activity become higher when hydrophilic and hydrophobic portion existed in aggoromerated state respectively. The test results of emulsifying power for organics (n-hexane, benzene) showed better for benzene than n-hexane. Eight kinds of sodium (EO, PO) dodecyl ether derivatives showed irregular dispersibilities for polar iron oxide in water dispersed media.

• Journal of the Korean Chemical Society
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• v.46 no.1
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• pp.26-36
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• 2002

A solid-state reaction of $MoO_3$ with as-synthesized H-SAPO-34 generated paramagnetic Mo(V) species. The dehydration resulted in weak Mo(V) species, and subsequent activation resulted in the formation of Mo(V) species such as $Mo(V)_{5c}$ and $Mo(V)_{6c}$ that are characterized by ESR. The data of ESR and ESEM show the oxomolybdenum species, to be $(MoO_2)^+$ or $(MoO)^{3+}$. The $(MoO_2)^+$ species seems to be more probable. Since H-SAPO-34 has a low framework negative charge, $(MoO)^{3+}$ with a high positive charge can not be easily stabilized. A solution reaction between the solution of silico-molybdic acid and calcined H-SAPO-34 resulted in only $(MoO_2)^+$ species. A rhombic ESR signal is observed on adsorption of $D_2O$, $CD_3OH$, $CH_3Ch_2OD$ and $ND_3$. The Location and coordination structure of Mo(V) species has been determined by three-pulse electron spin-echo modulation data and their simulations. After the adsorption of methanol, ethylene, ammonia, and water for MoH-SAPO-34, three molecules, one molecule, one and one molecule, respectively, are directly coordinated to $(MoO_2)^+)$.

• Journal of Life Science
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• v.13 no.1
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• pp.90-98
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• 2003

An allium rhizobacterium Serratia plymuthica AL-1 was previously selected as a biocontrol agent of allium white rot. The chitinase from S. plymuthica AL-1 produced in medium containing colloidal chitin was purified by ammonium sulfate precipitation (40~70%), affinity adsorption, column chromatography on DEAE-sephadex A-50 and sephadex C-200 gel filtration. The enzyme was purified 10.8-fold with a yield of 7.3% from the starting culture broth. The purified chtinase gave a single band on sodium dodecyl sulfate polyacrylamide gel electrophoresis, it's molecular weight was estimated to be 55 kDa. The optimum pH and temperature of the purified enzyme were pH 5.5 and $55^{\circ}C$, respectively and it is stable up to $50^{\circ}C$ and maintains around 90% of its activity for 60min. The enzyme were activated by $Ca^{2+}$, $Mn^{2+}$ and $Mg^{2+}$ and inhibited by $Cu^{2+}$, SDS, $\rho$-CMB, MIA, respectively. The purified chitinase showed broad spectrum of antifungal activities against plant pathogenic fungi Sclerotium cepivoruin, Alternana alternnta, Colletotrichum glceosporioidrs, Phoma sp., Sclerotinia sclerotiorum, Stemphylium solani, Fusarium oxysporium f. sp. niveum but rarely inhibited Phytophthora capsici and Pythium ultimum.. The purified chitinase from S. plymuthica AL-1 caused swelling, lysis, deceleration and degradation of the hyphal tips of S. sczerotiorum causing allium white rot. It suggest that S. prymuthica AL-1 chitinase play an important part in the bifunctional chitinase / lysozyme activity.

• Journal of Microbiology and Biotechnology
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• v.27 no.6
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• pp.1138-1149
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• 2017

The use of microalgal biomass is an interesting technology for the removal of heavy metals from aqueous solutions owing to its high metal-binding capacity, but the interactions with bacteria as a strategy for the removal of toxic metals have been poorly studied. The goal of the current research was to investigate the potential of Burkholderia tropica co-immobilized with Chlorella sp. in polyurethane discs for the biosorption of Hg(II) from aqueous solutions and to evaluate the influence of different Hg(II) concentrations (0.041, 1.0, and 10 mg/l) and their exposure to different contact times corresponding to intervals of 1, 2, 4, 8, 16, and 32 h. As expected, microalgal bacterial biomass adhered and grew to form a biofilm on the support. The biosorption data followed pseudo-second-order kinetics, and the adsorption equilibrium was well described by either Langmuir or Freundlich adsorption isotherm, reaching equilibrium from 1 h. In both bacterial and microalgal immobilization systems in the co-immobilization of Chlorella sp. and B. tropica to different concentrations of Hg(II), the kinetics of biosorption of Hg(II) was significantly higher before 60 min of contact time. The highest percentage of biosorption of Hg(II) achieved in the co-immobilization system was 95% at pH 6.4, at 3.6 g of biosorbent, $30{\pm}1^{\circ}C$, and a mercury concentration of 1 mg/l before 60 min of contact time. This study showed that co-immobilization with B. tropica has synergistic effects on biosorption of Hg(II) ions and merits consideration in the design of future strategies for the removal of toxic metals.

• Elastomers and Composites
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• v.47 no.1
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• pp.54-64
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• 2012

Acrylonitrile was introduced in the emulsion SBR to increase compatibility between silica and rubber. AN-SBR/silica compounds showed faster vulcanization time and higher delta torque values than SBR 1721/silica compounds because interaction between nitrile group of AN-SBR and silanol group on the silica surface could make hydrogen bond that prevented adsorption of the accelerator on the silica surface, which improved the vulcanization reaction efficiency and enhanced the degree of crosslinking. AN-SBR/silica compound showed higher values in minimum torque than SBR 1721/silica compound during the vulcanization because AN-SBR has higher molecular weight than SBR 1721 in the raw material. When PEG was added to the SBR 1721 and AN-SBR compounds, vulcanization time was faster than SBR 1721 and AN-SBR compounds without PEG because PEG has a large number of ether linkages which show high compatibility with silanol group on the silica surface that prevented the adsorption of the accelerator and the ingredients on the silica surface, which improved the vulcanization reaction efficiency. In the mechanical properties, AN-SBR compounds showed higher modulus values at 100%, 300% than SBR 1721 compounds because interaction between nitrile group of AN-SBR and silanol group on the silica surface enhanced the degree of crosslinking. In the dynamic properties, AN-SBR compounds showed lower tan ${\delta}$ values at $0^{\circ}C$ than SBR 1721 compounds in accordance with the $T_g$ values. AN-SBR compounds showed lower tan ${\delta}$ values at $60^{\circ}C$ than SBR 1721 compounds because interaction between acrylonitrile and silica caused strong filler-rubber interaction that induced low energy dissipation by the filler-filler interaction.

• Journal of Life Science
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• v.19 no.11
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• pp.1672-1678
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• 2009

The purified antifungal substances produced by Bacillus amyloliquefaciens IUB158-03 was positive to ninhydrin but negative to aniline, suggesting that the antifungal substance could be a peptide. FAB-MS, UV adsorption spectrum, and amino acid composition analysis revealed that the molecular weight of the antifungal substance was 1042 and that maximal adsorption was at 220 nm and 277 nm. The antifungal substance was composed of $Asn_3$, $Gln_2$, $Ser_1$, $Gly_1$, and $Tyr_1$. The composition and structural characteristics of antifungal substance were analysed by $^1H$-NMR spectrum, $^1H$-COSY, HMQC, which revealed that the compound belongs to the iturin A family. Temperature and pH had little effect on the stability of the antifungal substance in the ranges of $-70{\sim}121^{\circ}C$ and pH 6.0~10.0, respectively. It showed strong antibiotic activity against fungi. An in vitro cytotoxicity test using NIH3T3 cell showed that the antifungal substance does not have cytotoxicity. The number of circulating leukocytes and the hematobiological analysis of the mice administered with the antifungal substances was similar to those of the control group, indicating no cytotoxicity in vivo. Therefore, the antifungal substances extracted from culture broth of Bacillus amyloliquefaciens IUB158-03 have future potential as biocontrol agents against plant diseases caused by fungi.

• Membrane Journal
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• v.20 no.4
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• pp.312-319
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• 2010

Carbon membrane materials have received considerable attention for the gas separation including hydrocarbon mixture of ingredients of the volatile organic compounds(VOCs) because they possess their higher selectivity, permeability, and thermal stability than the polymeric membranes. The use of activated carbon membranes makes it possible to separate continuously the VOCs mixture by the selective adsorption-diffusion mechanism which the condensable components are preferentially adsorbed in to the micropores of the membrane. The activated carbon hollow fiber membranes with uniform adsorptive micropores on the wall of open pores and the surface of the membranes have been fabricated by the carbonization of a thin film of phenolic resin deposited on porous alumina hollow fiber membrane. Oxidation, carbonization, and activation processing variables were controlled under different conditions in order to improve the separation characteristics of the activated carbon membrane. Properties of activated carbon hollow fiber membranes and the characterization of a gas permeation by pyrolysis conditions were studied. As the result, the activated carbon hollow fiber membranes with good separation capabilities by the molecular size mechanism as well as selective adsorption on the pores surface followed by surface diffusion effective in the recovery hydrocarbons have been obtained. Therefore, these activated carbon membranes prepared in this study are shown as promising candidate membrane for separation of VOCs.

• Membrane Journal
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• v.31 no.3
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• pp.219-227
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• 2021

Molecularly imprinted membrane (MIM) is a porous polymer membrane incorporating with the molecular recognizing sites. In this study, the supporting P(AN-co-MA) asymmetric membrane was prepared by nonsolvent induced phase separation (NIPS) method. And then, MIM with lysozyme template sites was prepared using the surface imprinting method on the P(AN-co-MA) asymmetric membrane introducing a photoactive iniferter and then photo-grafting. The P(AN-co-MA) asymmetric membrane was modified with 3-chloropropyltrimethoxysilane and dithiocarbamate as a photoactive iniferter. To prepare a lysozyme imprinted membrane, the modified P(AN-co-MA) membrane was copolymerized with acrylamide as a functional momomer, N,N'-methylene bisacrylamide as a crosslinker and lysozyme as a template in the UV irradiation environment. The lysozyme imprinted MIM was analyzed by using SEM, FT-IR and EDS measurements. Its results confirm that all the P(AN-co-MA) membranes have an asymmetric structure and the iniferter group is successfully introduced on the membrane surface. The process parameters were adjusted to obtain MIM having the excellent lysozyme adsorption. The maximum lysozyme adsorption capacity reaches at 2.7 mg/g, which is 13 times higher than that of the non imprinted membrane (NIM). The permselective membrane filtration experiments of ovalbumin to lysozyme show that the P(AN-co-MA) MIM preferentially bounds a greater amount of lysozyme.