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Optimization of LC-MS/MS for the Analysis of Sulfamethoxazole by using Response Surface Analysis (반응표면분석법을 이용한 설파메톡사졸의 액체크로마토그래프-텐덤형 질량분석 최적화)

  • Bae, Hyo-Kwan;Jung, Jin-Young
    • Journal of Korean Society of Environmental Engineers
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    • v.31 no.9
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    • pp.825-830
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    • 2009
  • Pharmaceutical compounds enter the water environment through the diverse pathways. Because their concentration in the water environment was frequently detected in the level of ppt to ppb, the monitoring system should be optimized as much as possible for finding appropriate management policies and technical solutions. One Factor At a Time (OFAT) approach approximating the response with a single variable has been preferred for the optimization of LC-MS/MS operational conditions. However, it is common that variables in analytical instruments are interdependent. Therefore, the best condition could be found by using the statistical optimization method changing multiple variables at a time. In this research, response surface analysis (RSA) was applied to the LC-MS/MS analysis of emerging antibiotic compound, sulfamethoxazole, for the best sensitivity. In the screening test, fragmentation energy and collision voltage were selected as independent variables. They were changed simultaneously for the statistical optimization and a polynomial equation was fit to the data set. The correlation coefficient, $R^2$ valuerepresented 0.9947 and the error between the predicted and observed value showed only 3.41% at the random condition, fragmentation energy of 60 and collision voltage of 17 eV. Therefore, it was concluded that the model derived by RSA successfully predict the response. The optimal conditions identified by the model were fragmentation energy of 116.6 and collision voltage of 10.9 eV. This RSA can be extensively utilized for optimizing conditions of solid-phase extraction and liquid chromatography.

Thermodynamic Studies on the Adsorption of 4-Octylphenol on Carboxen by GC/MS Analysis (GC/MS 분석에 의한 4-Octylphenol의 Carboxen 흡착에 대한 열역학적 연구)

  • Lee, Joon-Bae;Park, Woo-Yong;Shon, Shungkun;Jung, Ji Eun;Jeong, Yong Ae;Gong, Bokyoung;Kim, Yu-Na;Kwon, O-Seong;Paeng, Ki Jung
    • Applied Chemistry for Engineering
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    • v.29 no.3
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    • pp.356-361
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    • 2018
  • It is common to analyze volatile organic compound (VOC) or semi-VOC (SVOC) in a sample composed of a complex matrix consisting of multiple components such as bloods through a separation process. Adsorption is a physical phenomenon in which certain components accumulate on the surface of other phases. In order to overcome difficulties in the pretreatment process, an adsorption is frequently used. Solid phase microextraction (SPME) equipment with porous carbon carboxen (CAR) is an example of adsorption application. In this study, the adsorption of 4-octylphenol to carboxen was examined. To do so, the extraction efficiency for such solvents as dichloromethane ($CH_2Cl_2$, DCM), ethylacetate ($CH_3COOC_2H_5$, EA) and diethylether ($C_2H_5OC_2H_5$, $Et_2O$) was studied and also the derivatization reaction for 4-octylphenol with reagents of bistrimethylsilyltrifluoroacetamide (BSTFA), methylchloroformate (MCF) and pentafluorobenzylbromide (PFBBr) was compared. The combination of DCM and BSTFA showed good performance thus they were adopted for this study. Thermodynamic adsorption experiments showed that the adsorption process was endothermic and Freundlich isotherm equation was more suitable than Langmuir isotherm. It was also found that the adsorption followed a pseudo-$2^{nd}$ order kinetic model.

Air-sparging Technology for Remediation of Specific Aquifer Layer Using Surfactant (계면활성제를 이용한 오염대수층의 선택적 폭기기술)

  • Kim, Heon-Ki;Song, Young-Su;Kwon, Han-Joon
    • Journal of Soil and Groundwater Environment
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    • v.13 no.6
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    • pp.23-30
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    • 2008
  • Air sparging technique has been used for remediation of VOC(volatile organic compound)-contaminated aquifer. The aim of this study was to develop an innovative air sparging technique that enhances the efficiency of air intrusion into a specific horizontal layer of aquifer where the contaminants exist with the help of water-soluble surfactant. A twodimensional physical box model, packed with homogeneous sand, was used for simulating the aquifer in this study. Aqueous solution of anionic surfactant (100 mg/L, sodium dodecylbenzene sulfonate) was used to suppress the surface tension of groundwater. Three sets of experiments were conducted: air sparging experiment without surfactant application, air sparging experiments for box model where the surfactant solution was applied right above the air injection point, and air sparging experiments with surfactant solution layer formed in the middle of the box. It was found that the sparging influence zone was expanded up to five times of that formed by sparging without surfactant application. The size of sparging influence zone was more sensitive to the air flow (injection) rate with surfactant application than that without surfactant. More importantly, injection of air into the target aquifer layer was successful with surfactant application. Findings in this study are expected to provide more options for designing remediation processes using air sparging.

Development of Optimum PAC Dose Prediction Program using $^{14}C$-radiolabled MIB and HSDM ($^{14}C$-radiolabeled MIB와 HSDM을 이용한 최적 PAC 투입량 예측프로그램의 개발)

  • Kim, Young-Il;Bae, Byung-Uk;Kim, Kyu-Hyoung;Hong, Hyun-Su;Westerhoff, Paul
    • Journal of Korean Society of Environmental Engineers
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    • v.27 no.10
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    • pp.1123-1128
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    • 2005
  • NIB(methylisoborneol) is an earthy/musty odor compound produced as a second metabolite by cyanobacteria and actinomycetes. MIB is not removed by conventional water treatment(coagulation, sedimentation, filtration) and its presence in tap water, even at low ng/L levels, can result in consumer complaints. PAC(powdered activated carbon) can effectively remove MIB when the correct dose is applied. But, since most operators in water treatment plants apply a PAC dose and then adjust that dose depending on direct observation (odor detection) after treatment, the result is often under-dose or eve,-dose. In this study, kinetic and isotherm tests using $^{14}C$-radiolabeled MIB were performed to determine coefficients for the HSDM(homogeneous surface diffusion model), including liquid film mass transfer coefficient($K_f$) and surface diffusion coefficient ($D_s$). The HSDM gave a reasonable fit and allowed prediction with the experimental data. Base on the HSDM, the authors developed an optimum PAC dose prediction program using the Excel spreadsheet. When the developed program was applied at two water treatment plants, the PAC dose based on the experience of operators in the water treatment plant was significantly different from that recommended by the newly developed program. If operators are willing to use the optimum PAC dose prediction program, it should solve dosing problems.

In Vitro and In Vivo Anti-Oxidative and Anti-Inflammatory Activities of Acer tegmentosum Maxim Extracts (RAW 264.7 대식세포와 염증유도 동물모델에서 산겨릅나무 추출물의 항산화 및 항염증 효과)

  • Lee, Cho-Eun;Jeong, Hyeon-Hee;Cho, Jin-Ah;Ly, Sun Yung
    • Journal of the Korean Society of Food Science and Nutrition
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    • v.46 no.1
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    • pp.1-9
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    • 2017
  • Acer tegmentosum Maxim (ATM) is known as traditional medicine for treatment of hepatic disorders such as hepatitis, related-inflammatory disease, and hepatic cancer. In this study, we evaluated the antioxidant and anti-inflammatory effects of ATM extracted with $80^{\circ}C$ water or 95% ethanol. Antioxidant activities of ATM extracts were measured based on DPPH and ABTS radical scavenging activities, total polyphenolic compound contents, and ferric reducing antioxidant power. The anti-inflammatory effects of ATM extract were assayed on release of nitric oxide, tumor necrosis factor $(TNF)-{\alpha}$, and interferon $(IFN)-{\gamma}$ from lipopolysaccharide (LPS)-induced macrophages. In these experiments, 95% ethanol extract of ATM showed stronger antioxidant and anti-inflammatory effects than water extract. Therefore, we determined the effects of ATM ethanol extract on an animal model of sepsis. Seven days oral gavage of ATM ethanol extract followed by LPS stimulation reduced the protein levels of $TNF-{\alpha}$ and $IFN-{\gamma}$ in serum as well as mRNA levels of $TNF-{\alpha}$ and interleukin-6 in intestinal epithelial cells. In addition, ATM ethanol extract reduced DNA damage in mouse lymphocytes. These results indicate that ATM extract has strong antioxidant and anti-inflammatory in vitro and in vivo effects and may be developed as a potential food material for prevention of inflammatory diseases.

Gene Co-expression Network Analysis Associated with Acupuncture Treatment of Rheumatoid Arthritis: An Animal Model

  • Ravn, Dea Louise;Mohammadnejad, Afsaneh;Sabaredzovic, Kemal;Li, Weilong;Lund, Jesper;Li, Shuxia;Svendsen, Anders Jorgen;Schwammle, Veit;Tan, Qihua
    • Journal of Acupuncture Research
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    • v.37 no.2
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    • pp.128-135
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    • 2020
  • Background: Classical acupuncture is being used in the treatment of rheumatoid arthritis (RA). To explore the biological response to acupuncture, a network-based analysis was performed on gene expression data collected from an animal model of RA treated with acupuncture. Methods: Gene expression data were obtained from published microarray studies on blood samples from rats with collagen induced arthritis (CIA) and non-CIA rats, both treated with manual acupuncture. The weighted gene co-expression network analysis was performed to identify gene clusters expressed in association with acupuncture treatment time and RA status. Gene ontology and pathway analyses were applied for functional annotation and network visualization. Results: A cluster of 347 genes were identified that differentially downregulated expression in association with acupuncture treatment over time; specifically in rats with CIA with module-RA correlation at 1 hour after acupuncture (-0.27; p < 0.001) and at 34 days after acupuncture (-0.33; p < 0.001). Functional annotation showed highly significant enrichment of porphyrin-containing compound biosynthetic processes (p < 0.001). The network-based analysis also identified a module of 140 genes differentially expressed between CIA and non-CIA in rats (p < 0.001). This cluster of genes was enriched for antigen processing and presentation of exogenous peptide antigen (p < 0.001). Other functional gene clusters previously reported in earlier studies were also observed. Conclusion: The identified gene expression networks and their hub-genes could help with the understanding of mechanisms involved in the pathogenesis of RA, as well understanding the effects of acupuncture treatment of RA.

Impact Assessment of Sea_Level Rise based on Coastal Vulnerability Index (연안 취약성 지수를 활용한 해수면 상승 영향평가 방안 연구)

  • Lee, Haemi;Kang, Tae soon;Cho, Kwangwoo
    • Journal of Korean Society of Coastal and Ocean Engineers
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    • v.27 no.5
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    • pp.304-314
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    • 2015
  • We have reviewed the current status of coastal vulnerability index(CVI) to be guided into an appropriate CVI development for Korean coast and applied a methodology into the east coast of Korea to quantify coastal vulnerability by future sea_level rise. The CVIs reviewed includes USGS CVI, sea_level rise CVI, compound CVI, and multi scale CVI. The USGS CVI, expressed into the external forcing of sea_level rise, wave and tide, and adaptive capacity of morphology, erosion and slope, is adopted here for CVI quantification. The range of CVI is 1.826~22.361 with a mean of 7.085 for present condition and increases into 2.887~30.619 with a mean of 12.361 for the year of 2100(1 m sea_level rise). The index "VERY HIGH" is currently 8.57% of the coast and occupies 35.56% in 2100. The pattern of CVI change by sea_level rise is different to different local areas, and Gangneung, Yangyang and Goseong show the highest increase. The land use pattern in the "VERY HIGH" index is dominated by both human system of housing complex, road, cropland, etc, and natural system of sand, wetland, forestry, etc., which suggests existing land utilization should be reframed in the era of climate change. Though CVI approach is highly efficient to deal with a large set of climate scenarios entailed in climate impact assessment due to uncertainties, we also propose three_level assessment for the application of CVI methodology in the site specific adaptation such as first screening assessment by CVI, second scoping assessment by impact model, and final risk quantification with the result of impact model.

Minimum Structural Requirements of R-phenoxy Substituents for Herbicidal Evaluation of O-(2-phenoxy)ethyl-N-aralkylcarbamate Analogues against Phytoene Desaturase (Phytoene Desaturase에 대한 O-(2-Phenoxy)ethyl-N-aralkylcarbamates 유도체의 제초성 평가를 위한 R-phenoxy 치환기들의 구조적인 요건)

  • Choi, Won-Seok;Lee, Jae-Whang;Hwang, Seung-Woo;Sung, Nack-Do
    • The Korean Journal of Pesticide Science
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    • v.14 no.1
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    • pp.72-77
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    • 2010
  • The minimum structural requirements of R-phenoxy substituents for herbicidal evaluation of O-(2-(R)-phenoxy)-ethyl-N-aralkylcarbamate (1-15) analogues against phytoene desaturase (PDS) based on the three dimensional quantitative structure-activity relationships (3D-QSARs: CoMFA and CoMSIA) were studied quantitatively. The correlativity and predictability ($r^2_{cv.}=0.753$ and $r^2_{ncv.}=0.964$) of the CoMFA 1 model were higher than those of the rest models. The PDS inhibitory activities from the optimized CoMFA 1 model were depend upon the steric field (44.0%), electrostatic field (36.3%), and hydrophobic field (19.6%) of O-(2-(R)-phenoxy)ethyl-Naralkylcarbamate analogues. From the CoMFA contour maps on the structure of the most active compound (5), if it has the steric favor at meta-, para-position on the phenoxy ring, the negative charge favor in meta-position and positive charge favor in the outside part of para-position, the inhibitory activity will be predicted to increase. Also, if ortho-, para-position, and outside of phenoxy ring are hydrophilic favor, and meta-position is hydrophobic favor, it is predicted that the inhibitory activity against PDS will be able to increase.

The Effects of Phenol on Biokinetic Coefficient of Multiple Phenol Derivatives of 2,4-Dichlorophenol and 2,4-Dinitrophenol in Activated Sludge Process (활성슬러지공정에서 페놀이 2,4-디클로로페놀과 2,4-디니트로페놀을 함유한 복합페놀폐수의 미생물분해계수에 미치는 영향)

  • Lim, Gye-Gyu
    • Applied Chemistry for Engineering
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    • v.10 no.3
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    • pp.349-353
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    • 1999
  • A study was carried out to see the effects of phenol on the biological degradation of a wastewater containing 2,4-dichlorophenol and 2,4-dinitrophenol and the biodegradation kinetic coefficients of Eckenfelder's modified model for the activated sludge process. The system containing base mix (BM) which was formulated with essential energy sources and nutrients was run down and washed out when 2,4-dichlorophenol and 2,4-dinitrophenol was introduced into the base mix unit without acclimation to phenol. Whereas for the system acclimated to phenol, the treatment efficiency was 91.9% in terms of $BOD_5$ and treatability for each chemical of phenol, 2,4-dichlorophenol, and 2,4-dinitrophenol was 99.8%, 43.3% and 62.5% based on concentration, respectively. Additional BM was added into the combined unit containing phenol, 2,4-dichlorophenol, 2,4-dinitrophenol so that the better treatment efficiency was achieved for each compound. The biokinetic coefficient of Eckenfelder's modified model without phenol acclimation was not estimated because the system did not reach the steady state. Thc coefficient for the phenol acclimation was 12.44 /day, however it was changed as 46.91 /day in addition of both of phenol acclimation and 47 mg/l of BM. The results presented above could be useful for the process design and further study in the field of biodegradation of benzene derivatives.

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Sintering Mixtures in the Stage of Establishing Chemical Equilibrium

  • Savitskii, A.P.
    • Proceedings of the Korean Powder Metallurgy Institute Conference
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    • 1999.04a
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    • pp.5-5
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    • 1999
  • The Principal deficiency of the existing notion about the sintering-mixtures consists in the fact that almost no attention is focused on the Phenomenon of alloy formation during sintering, its connection with dimensional changes of powder bodies, and no correct ideas on the driving force for the sintering process in the stage of establishing chemical equilibrium in a system are available as well. Another disadvantage of the classical sintering theory is an erroneous conception on the dissolution mechanism of solid in liquid. The two-particle model widely used in the literature to describe the sintering phenomenon in solid state disregards the nature of the neighbouring surrounding particles, the presence of pores between them, and the rise of so called arch effect. In this presentation, new basic scientific principles of the driving forces for the sintering process of a two-component powder body, of a diffusion mechanism of the interaction between solid and liquid phases, of stresses and deformation arising in the diffusion zone have been developed. The major driving force for sintering the mixture from components capable of forming solid solutions and intermetallic compounds is attributed to the alloy formation rather than the reduction of the free surface area until the chemical equilibrium is achieved in a system. The lecture considers a multiparticle model of the mixed powder-body and the nature of its volume changes during solid-state and liquid-phase sintering. It explains the discovered S-and V-type concentration dependencies of the change in the compact volume during solid-state sintering. It is supposed in the literature that the dissolution of solid in liquid is realised due to the removal of atoms from the surface of the solid phase into the melt and then their diffusicn transfer from the solid-liquid interface into the bulk of liquid. It has been shown in our experimental studies that the mechanism of the interaction between two components, one of them being liquid, consist in diffusion of the solvent atoms from the liquid into the solid phase until the concentration of solid solutions or an intermetallic compound in the surface layer enables them to pass into the liquid by means of melting. The lecture discusses peculimities of liquid phase formation in systems with intermediate compounds and the role of the liquid phase in bringing about the exothermic effect. At the frist stage of liquid phase sintering the diffusion of atoms from the melt into the solid causes the powder body to grow. At the second stage the diminution of particles in size as a result of their dissolution in the liquid draws their centres closer to each other and makes the compact to shrink Analytical equations were derived to describe quantitatively the porosity and volume changes of compacts as a result of alloy formation during liquid phase sinteIing. Selection criteria for an additive, its concentration and the temperature regime of sintering to control the density the structure of sintered alloys are given.

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