• Title/Summary/Keyword: Acid-base model

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Acid/Base Buffer Capacity of Clays (점토의 산/염기 완충능)

  • 김건하;김길홍
    • Journal of the Korean Geotechnical Society
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    • v.16 no.6
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    • pp.97-103
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    • 2000
  • 지반내 중금속의 저류와 이동에 대한 가장 중요한 인자는 토양 간극수의 pH이다. 점토의 완충능을 kaolinite, hectorite, attapulgite, Na-bentonite와 같은 4가지 점토에 대하여 연구하였다. 완충능의 크기는 hectoriteattapulgite>kaolinite의 순으로 나타났다. 완충능의 크기는 지반내 탄산염 함량과 양이온 교환능력이 완충능의 크기에 가장 영향을 미치며 유기물 함량과 비표면적의 영향은 적었다. 토양의 완충능을 모델링하기 위하여 수소 이온과 토양표면의 화학반응 기간의 화학반응을 정전흡착 모델을 이용하여 모델링하였다. 또한 탄산염 함량과 양이온 교환능력을 함수로 하는 회귀식을 제안하였다. 모델 검증을 위하혀 모델 예측치와 실험치를 비교하였는데 정전 흡착모델을 이용한 예측치가 실험치와 근사한값을 나타냈다.

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Theoretical Evaluation of the Electrophilic Catalyses in Successive Enolization and Reketonization Reactions by Δ5-3-Ketosteroid Isomerase

  • Park, Hwang-Seo;Seh, Jung-Hun;Lee, Sang-Youb
    • Bulletin of the Korean Chemical Society
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    • v.23 no.6
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    • pp.837-845
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    • 2002
  • Based on ab initio calculations at the MP2(FULL)/6-31+G**//RHF/6-31G** level, we compare the energetic and mechanistic features of a model reaction for catalytic action of Δ?-3-ketosteroid isomerase (KSL,E.C.5.3,3.1) with those of a corresponding nonenzymatic reaction in aqueous solution. The results show that the two catalytic acid residues,Tyr14 and Asp99, can lower the free energy of activation by 8.6kcal/mol, which is in good agreement with the experimentally predicted~9 kcal/mol,contribution of electrophilic catalyses to the whole enzymatic rate enhancement. The dienolate intermediate formed by proton transfer from the substrate carbon acid to the catalytic base residue (Asp38) ins predicted to be stabilized by 12.0 kcal/mol in the enzymatic reaction, making its formation thermodynamically favorable. It has been argued that enzymes catalyzing the reactions of carbon acids should resolve the thermodynamic problem of stabilizing the enolate intermediate as well as the kinetic porblem of lowering the free energy of activation for porton abstraction. We find that KSI can successfully overcome the thermodynamic difficulty ingerent in the nonenzymatic reaction through the electrophilic catalyses of the two acid residues. Owing to the stabilization of dienolate intermediate, the reketonization step could influence the overall reaction rate more significantly in the KSI- catalyzed reaction than in the nonenzymatic reaction, further supporting the previous experimental findings. However, the electrophilic catalyses alone cannot account for the whole catalygic capability (12-13 kcal/mol), confiming the earlier experimental implications for the invement of additional catalytic components. The present computational study indicates clearly how catalytic residues of KSI resolve the fundamental problems associated with the entropic penalty for forming the rate-limiting transition state and its destabilization in the bulk solvation environment.

Transdermal Permeation of Xanthan Gum Bases on the Water-soluble and Lipophilic Antihyperlipoproteinemic Drugs (수용성과 지용성 항고지단백혈증제에 대한 Xanthan Gum 기재에서의 경피투과)

  • 이석우;임윤택;공승대;황성규;이우윤
    • KSBB Journal
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    • v.16 no.3
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    • pp.253-258
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    • 2001
  • Recently, there were many studies not only to enhance drug delivery effect but to reduce side effect. Drug delivery system(DDS) is able to improve efficiency with decreasing side effect of drug dosage. Among these application fields, DDS is often used as the method of drug dosage into the epidermic skin. We investigated characters of transdermal therapeutic system(TTS) and the skin permeability of that with applying DDS. We investigated the permeation of xanthan gum containing drug in rat skin using borizontal membrane cell model. Permeation properties of materials were investigated for water-soluble drug with oxiniacic acid and also for lipophilic drug with clofibrate. The permeation rate of lipophilic drug was found to be faster than that of water-soluble drug in vitro. The rate differences of both water-soluble drug and lipophilic drug according to drug content were negligible. We used glycerin, PEG 600 and oleic acid as enhancers. These results showed that skin permeation rate of each drug across the composite was mainly dependent on the property of base and chemical property of drug etc.. Proper selection of the polymeric materials which resemble and enhance properties of the delivering drug was found to be important in controlling the skin permeation rate. This result suggests a possible use of natural polymer base as a transdermal delivery system of antihyperlipoproteinemic agent.

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Kinetics of Cr(VI) Sorption/Reduction from Aqueous Solution on Activated Rice Husk

  • El-Shafey, E.I.;Youssef, A.M.
    • Carbon letters
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    • v.7 no.3
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    • pp.171-179
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    • 2006
  • A carbonaceous sorbent was prepared from rice husk via sulphuric acid treatment. After preparation and washing, the wet carbon with moisture content 85% was used in its wet status in this study due to its higher reactivity towards Cr(VI) than the dry carbon. The interaction of Cr(VI) and the carbon was studied and two processes were investigated in terms of kinetics and equilibrium namely Cr(VI) removal and chromium sorption. Cr(VI) removal and chromium sorption were studied at various initial pH (1.6-7), for initial Cr(VI) concentration (100 mg/l). At equilibrium, maximum Cr(VI) removal occurred at low initial pH (1.6-2) where, Cr(III) was the only available chromium species in solution. Cr(VI) removal, at such low pH, was related to the reduction to Cr(III). Maximum chromium sorption (60.5 mg/g) occurred at initial pH 2.8 and a rise in the final pH was recorded for all initial pH studied. For the kinetic experiments, approximate equilibrium was reached in 60-100 hr. Cr(VI) removal data, at initial pH 1.6-2.4, fit well pseudo first order model but did not fit pseudo second order model. At initial pH 2.6-7, Cr(VI) removal data did not fit, anymore, pseudo first order model, but fit well pseudo second order model instead. The change in the order of Cr(VI) removal process takes place in the pH range 2.4-2.6 under the experimental conditions. Other two models were tested for the kinetics of chromium sorption with the data fitting well pseudo second order model in the whole range of pH. An increase in cation exchange capacity, sorbent acidity and base neutralization capacity was recorded for the carbon sorbent after the interaction with acidified Cr(VI) indicating the oxidation processes on the carbon surface accompanying Cr(VI) reduction.

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Removal of Nitrate-Nitrogen in Pickling Acid Wastewater from Stainless Steel Industry Using Electrodialysis and Ion Exchange Resin (전기투석과 이온교환수지를 이용한 스테인레스 산업의 산세폐수 내 질산성 질소의 제거)

  • Yun, Young-Ki;Park, Yeon-Jin;Oh, Sang-Hwa;Shin, Won-Sik;Choi, Sang-June;Ryu, Seung-Ki
    • Journal of Environmental Science International
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    • v.18 no.6
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    • pp.645-654
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    • 2009
  • Lab-scale Electrodialysis(ED) system with different membranes combined with before or after pyroma process were carried out to remove nitrate from two pickling acid wastewater containing high concentrations of $NO_3\;^-$(${\approx}$150,000 mg/L) and F($({\approx}$ 160,000 mg/L) and some heavy metals(Fe, Ti, and Cr). The ED system before Pyroma process(Sample A) was not successful in $NO_3\;^-$ removal due to cation membrane fouling by the heavy metals, whereas, in the ED system after Pyroma process(Sample B), about 98% of nitrate was removed because of relatively low $NO_3\;^-$ concentration (about 30,000 mg/L) and no heavy metals. Mono-selective membranes(CIMS/ACS) in ED system have no selectivity for nitrate compared to divalent-selective membranes(CMX/AMX). The operation time for nitrate removal time decreased with increasing the applied voltage from 10V to 15V with no difference in the nitrate removal rate between both voltages. Nitrate adsorption of a strong-base anion exchange resin of $Cl\;^-$ type was also conducted. The Freundlich model($R^2$ > 0.996) was fitted better than Langmuir mode($R^2$ > 0.984) to the adsorption data. The maximum adsorption capacity ($Q^0$) was 492 mg/g for Sample A and 111 mg/g for Sample B due to the difference in initial nitrate concentrations between the two wastewater samples. In the regeneration of ion exchange resins, the nitrate removal rate in the pickling acid wastewater decreased as the adsorption step was repeated because certain amount of adsorbed $NO_3\;^-$ remained in the resins in spite of several desorption steps for regeneration. In conclusion, the optimum system configuration to treat pickling acid wastewater from stainless-steel industry is the multi-processes of the Pyroma-Electrodialysis-Ion exchange.

Effect of Teaching Program for Model Ignorance on the Perception and Teaching Practice of Pre-service Chemistry Teachers (모델 이그노런스 교수프로그램이 예비화학교사의 인식 및 교수 실행에 미치는 효과)

  • Jeon, Eunsun;Paik, Seoung-Hey
    • Journal of the Korean Chemical Society
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    • v.66 no.3
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    • pp.228-242
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    • 2022
  • In this study, the educational effect was investigated by providing a teaching program so that pre-service chemistry teachers could apply model ignorance education to teacher training practice. The teaching program was constructed in consideration of the sensemaking concept proposed in the study of Odden & Russ and the process of teacher sensemaking proposed by Asli et al. The subjects of this study were 23 pre-service teachers in the 4th year of chemistry education department at a teacher training university in the central region of Korea. In order to form a sensemaking for the model's ignorance education, the teaching program consisted of four stages; the initial idea generation stage, cognition of model's ignorance stage in a inconsistent situation, the lesson strategy construction stage for model ignorance education, and lesson plan & practice stage during teacher training practice. In the first stage of this program, pre-service teachers' initial ideas about the Arrhenius model and Bronsted-Lowry model of acid-base reaction, and the electron transfer model of the oxidation-reduction reaction were investigated. In the second stage, inconsistant situation that cannot be explained by the knowledge of model was presented to recognize the ignorance of the model. The third stage was to develop the teaching ability of model's ignorance through textbook analysis and lesson strategy composition activities. As a final stage, during the teacher training practice, the pre-service teachers were asked to plan and practice the implementation of the model's ignorance education. Through the teaching program to form a sensemaking for ignorance education of the models, pre-service teachers had come to recognize the ignorance of the model, acquired ability to organize and execute lesson strategies reflecting model ignorance, and acquired recognition of the educational value and necessity of teaching the ignorance of models.

Growth of Endothelial Cells on Microfabricated Silicon Nitride Membranes for an In Vitro Model of the Blood-brain Barrier

  • Harris, Sarina G.;Shuler, Michael L.
    • Biotechnology and Bioprocess Engineering:BBE
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    • v.8 no.4
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    • pp.246-251
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    • 2003
  • The blood-brain barrier (BBB) is composed of the brain capillaries, which are lined by endothelial cells displaying extremely tight intercellular junctions. Several attempts at creating an in vitro model of the BBB have been met with moderate success as brain capillary endothelial cells lose their barrier properties when isolated in cell culture. This may be due to a lack of recreation of the in vivo endothelial cellular environment in these models, including nearly constant contact with astrocyte foot processes. This work is motivated by the hypothesis that growing endothelial cells on one side of an ultra-thin, highly porous membrane and differentiating astrocyte or astrogliomal cells on the opposite side will lead to a higher degree of interaction between the two cell types and therefore to an improved model. Here we describe our initial efforts towards testing this hypothesis including a procedure for membrane fabrication and methods for culturing endothelial cells on these membranes. We have fabricated a 1 $\mu\textrm{m}$ thick, 2.0 $\mu\textrm{m}$ pore size, and 55% porous membrane with a very narrow pore size distribution from low-stress silicon nitride (SiN) utilizing techniques from the microelectronics industry. We have developed a base, acid, autoclave routine that prepares the membranes for cell culture both by cleaning residual fabrication chemicals from the surface and by increasing the hydrophilicity of the membranes (confirmed by contact angle measurements). Gelatin, fibronectin, and a 50/50 mixture of the two proteins were evaluated as potential basement membrane protein treatments prior to membrane cell seeding. All three treatments support adequate attachment and growth on the membranes compared to the control.

Optimization Strategies for Amine Regeneration Process with Heat-Stable Salt Removal Unit (열 안정성 염 제거장치를 고려한 아민 재생 공정 최적화 전략)

  • Lee, Jesung;Lim, Jonghun;Cho, Hyungtae;Kim, Junghwan
    • Applied Chemistry for Engineering
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    • v.31 no.5
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    • pp.575-580
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    • 2020
  • In this study, we simulated an amine regeneration process with heat-stable salts removal unit. We derived the optimal operating conditions considering the flow rate of waste, the removal rate of heat-stable salts, and the loss rate of MDEA (methyl diethanolamine). In the amine regeneration process that absorbs and removes acid gas, heat-stable salt impairs the absorption efficiency of process equipment and amine solution. An ion exchange resin method is to remove heat-stable salts through neutralization by using a strong base solution such as NaOH. The acid gas removal process was established using the Radfrac model, and the equilibrium constant of the reaction was calculated using Gibbs free energy. The removed amine solution is separated and flows to the heat-stable salts remover which is modeled by using the Rstoic model with neutralization reaction. Actual operation data and simulation results were compared and verified, and also a case study was conducted by adjusting the inflow mass of removal unit followed by suggesting optimal conditions.

Modeling and Characterization of Steam-Activated Carbons Developed from Cotton Stalks

  • Youssef, A.M.;Hassan, A.F.;Safan, M.
    • Carbon letters
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    • v.14 no.1
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    • pp.14-21
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    • 2013
  • Physically and chemically activated carbons (ACs) exhibited high adsorption capacities for organic and inorganic pollutants compared with other adsorbents due to their expanded surface areas and wide pore volume distribution. In this work, seven steam-ACs with different burn-off have been prepared from cotton stalks. The textural properties of these sorbents were determined using nitrogen adsorption at $-196^{\circ}C$. The chemistry of the surface of the present sorbents was characterized by determining the surface functional C-O groups using Fourier transform infrared spectroscopy, surface pH, $pH_{pzc}$, and Boehm's acid-base neutralization method. The textural properties and the morphology of the sorbent surface depend on the percentage of burn-off. The surface acidity and surface basicity are related to the burn-off percentage. A theoretical model was developed to find a mathematical expression that relates the % burn-off to ash content, surface area, and mean pore radius. Also, the chemistry of the carbon surface is related to the % burn-off. A mathematical expression was proposed where % burn-off was taken as an independent factor and the other variable as a dependent factor. This expression allows the choice of the value of % burn-off with required steam-AC properties.

Release Characteristics to Vitamin $B_{2}$ of Chitosan Ointments In vitro (In vitro에서 키토산 연고의 비타민 $B_{2}$ 방출 특성)

  • Oh, Se-Young;Hwang, Sung-Kwy;Hwang, Yong-Hyun
    • Journal of the Korean Applied Science and Technology
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    • v.17 no.1
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    • pp.43-48
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    • 2000
  • Drug delivery system(DDS) applied to various fields, such as medicine, cosmetics, agriculture and necessities of life. Among these application fields, DDS is often used as the method of drug dosage into the epidermic skin. We investigated characters of transdermal therapeutic system(TTS) and the skin permeability of that with applying DDS. Chitosan was selected as material of TTS. We investigated the permeation of chitosan ointment containing drug in rat skin using horizontal membrane cell model. Permeation properties of materials were investigated for water-soluble drug such as riboflavin in vitro. We used glycerin, PEG 600 and oleic acid as enhancers. Since dermis has more content water(hydration) than the stratum corneum, skin permeation rate at steady state was highly influenced when glycerin was used in water-soluble drug. The permeation rate of content enhancer and drug was found to be faster than that of content water-soluble drug only. These results showed that skin permeation rate of drug across the composite was manly dependent on the property of ointment base and drug. Proper selection of the polymeric materials which resemble and enhance properties of the delivering drug was found to be important in controlling the skin permeation rate.