• Title/Summary/Keyword: high solubility

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Computational screening of electroactive indolequinone derivatives as high-performance active materials for aqueous redox flow batteries

  • Han, Young-Kyu;Jin, Chang-Soo
    • Current Applied Physics
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    • v.18 no.12
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    • pp.1507-1512
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    • 2018
  • The development of an organic-based aqueous redox flow battery (RFB) using quinone as an electroactive material has attracted great attention recently. This is because this battery is inexpensive, produces high energy density, and is environment friendly in stationary electrical energy storage applications. Herein, we investigate the redox potentials and solubilities of indole-5,6-quinone and indole-4,7-quinone derivatives in terms of the substituent effects of functional groups using theoretical calculations. Our results indicate that full-site substituted derivatives of indolequinone are more useful as active materials compared to single-site substituted derivatives. In particular, our calculations reveal that the substitution of $-PO_3H_2$ and $-SO_3H$ functional groups with multiple polar bonds is very effective in increasing the activity of the aqueous RFB. As a strategy to overcome the limitation that the aqueous solubility is intrinsically low because they are organic molecules, we suggest the substitution of functional groups with multiple polar bonds to the backbones of active organic materials. Among 180 indolequinone derivatives, 17 candidates that meet the redox potential standards ($${\leq_-}0.2V$$ or $${\geq_-}0.9V$$) and eight candidates with solubility exceeding 2 mol/L are identified. Three indolequinone derivatives that satisfy both conditions are finally presented as promising electroactive candidates for an aqueous RFB.

Analysis of Fuel Droplet Vaporization at High-Pressure Environment (고압상태에서의 연료액적의 증발특성 해석)

  • Lee, J.C.;Kim, Y.M.
    • Journal of ILASS-Korea
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    • v.1 no.1
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    • pp.35-43
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    • 1996
  • A vaporization model for single component fuel droplet has been developed for applying to sub- and supercritical conditions. This model can account for transient liquid heat ins and circulation effect inside the droplet, forced and natural convection, Stefan flow effect, real gas effect and ambient gas solubility into the liquid droplet in high-pressure conditions. Thermodynamic and transport properties are calculated as functions of temperature and pressure in both phases. Numerical calculations are carried out for several validation cases with the detailed experimental data. Numerical results confirm that this supercritical vaporization model is applicable to the high-pressure conditions encountered in the combustion processes of diesel engine.

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High-Pressure Droplet Vaporization with Emphasis on the Vapor-Liquid Equilibrium Calculation (플래쉬 상평형 계산에 의한 고압 액적기화의 수치적 연구)

  • Lee, Kang-Won;Chae, Jong-Won;Yoon, Woong-Sup
    • 한국연소학회:학술대회논문집
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    • 2001.06a
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    • pp.106-118
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    • 2001
  • A rigorous study of single droplet vaporization under quiescent high pressure atmosphere is attempted adopting method of flash evaporation calculation for vapor-liquid equilibrium. Results due to flash method shows excellent agreement with measurement. Also shown is the present model fairly capable of depicting transients of droplet vaporization under high pressure environment, such as ambient gas solubility, property variation, and multicomponent transports. Systematic treatment of these effects with emphasis on vapor-liquid phase equilibrium revealed; conventional treatment for subcritical droplet vaporization, such as $d^2$-law, leads to erroneous prediction of droplet history, augmented gas solubility is significant under supercritical pressure, and vaporization rate proportionally increase with pressure.

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Physical properties and determination of eupatilin, a new antigastritic agent, by high performance liquid chromatography

  • Jang, Ji-Myun;Shim, Hyun-Joo;Ahn, Byung-Ok;Kim, Soon-Hoe;Kim, Won-Bae
    • Proceedings of the PSK Conference
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    • 2003.10b
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    • pp.215.3-216
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    • 2003
  • Eupatilin is a major active component of Stillen\ulcorner(Artemisia Herba Extract) having a potent antigastritic effect. We investigated the physical properties of eupatilin using high performance liquid chromatography. Solubility, stability & partition coefficient of eupatilin were investigated. pH-stability of eupatilin was examined over the broad range through pH1-9 at 37$^{\circ}C$ & it has good stability above the broad range pH. The solubility of eupatilin was extremely low but the value of logP was more than 2. Also, a high performance liquid chromatographic method was developed for the determination of eupatilin in rat plasma. (omitted)

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Hydrolysis characteristics and applications of silk sericin I. Control of molecular weight of sericin (실크 세리신의 가수분해 특성과 응용 I. 세리신의 분자량 제어)

  • 김정호;배도규
    • Journal of Sericultural and Entomological Science
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    • v.45 no.1
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    • pp.46-57
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    • 2003
  • This study was carried out to investigate the characteristics of the soluble sericins after degumming and after hydrolysis of insoluble sericin with various enzymes. Especially, the hydrolysis characteristics were examined in terms of molecular weight of the soluble sericin. Amino acid composition and molecular weight characteristics of the soluble sericins were also studied. When the insoluble sericin was hydrolyzed with kojizyme and flavourzyme, the solubility was highest at pH 7 and 50$^{\circ}C$. On the other hand, in the cases of protamex and alcalase, the highest solubility was obtained at 60$^{\circ}C$. In these cases, solubility increased with pH. In enzymatic hydrolysis, the solubility was increased with concentration of enzymes until 4 hours. After then, a slight difference was found along with treatment times. In enzymatic hydrolysis, the absorbance of the soluble sericin was increased with concentration of enzymes and treatment times. Average degree of polymerization was decreased with treatment time and concentration. The amino acid compositions were similar in low(low molecular weight by degumming) and high (high molecular weight by degumming). Those of PK (soluble sericin hydrolyzed with kojizyme), PP (soluble sericin hydrolyzed with protamex), and PA(soluble sericin hydrolyzed with alcalase) were similar to each other. Serine and tyrosine compositions were higher in low and high than those of PK, PP, and PA. However proline was absent in low and high. Molecular weights of the various sericins became higher as KP>high>PP>low>PA and those of KP and PA were 9,800 and 905 respectively.

Studies on the Removal of Phytate from Korean Rapeseed(Brassica napus, L) Proteins -Ⅰ. Effects of pH and Salts on Protein and Phytate Solubility of Defatted Rapeseed Flour- (한국산 평지 종실 단백질의 Phytate 제거에 관한 연구 -제1보. 평지 종실 단백질과 Phytate 의 용해도에 대한 pH와 염류의 영향-)

  • Huh, Chai-Ok;Yang, Cha-Bum
    • Applied Biological Chemistry
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    • v.29 no.2
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    • pp.212-218
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    • 1986
  • Proteins in Korean rapeseeds, as in many other plantseeds, are usually bound to phytate molecules. These phytate-bound proteins are of little value as foodstuffs because of their poor solubility in digestive systems. Therefore it is necessary to remove phytates from proteins in order to convert these proteins io a useful foodstuff. In the work, an efficient procedure for removal of phytates from defatted Korean rapeseed was found. The influence of pH on the solubility of protein and phytate of rapeseed flour showed that the former was the lowest at pH 5.0 and began to increase as pH further raised. Meanwhile, the latter was the highest at pH 6.0, however, it was decreased abruptly at alkaline pH, especially to content of 1.3% at pH 11.5. The solubility cf protein was relatively high in NaCl aqueous solution at $pH\;6.0{\sim}8.0$, and did not male any noticeable difference depending on NaCl concentration. On the other hand, the solubility of phytate was high at pH of below 6.0 showing an abrupt decrease at pH of above 6.0. The solubility of protein in $CaCl_2$ aqueous solution was highest at $pH\;6.0{\sim}8.0$, however, there was no significant change at the whole range of tested pH of the solution. A maximum solubility of phytate was shown at $pH\;3.0{\sim}4.0$. And it was decreased abruptly at a higher pH of the above range and also decreased at a lower pH with higher $CaCl_2$ concentration. The solubility of phytate in $Na_2SO_3$ aqueous solution was highest at $pH\;5.0{\sim}8.0$. As the concentration goes up the maximum value of solubility was found to move to higher pHs. Depending on the concentration of $Na_2SO_3$, the decreasing pattern was changed in an alkaline solution. The solubility of phytate in the solution containing low concentration of $Ca^{2+}$ ion was low in all treatments at pH of above 7.0 and showed the maximum value at low pH as $Ca^{2+}$ ion concentration increases. The solubility of protein at pH 11.5 showed the highest value in $1mM\;Ca^{2+}$ ion solution.

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Solubility of carbon dioxide in ionic liquids with methylsulfate anion (Methylsulfate 음이온을 갖는 이온성 액체에 대한 이산화탄소의 용해도)

  • Jung, Jun-Young;Lee, Byung-Chul
    • Analytical Science and Technology
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    • v.24 no.6
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    • pp.467-476
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    • 2011
  • Solubility data of carbon dioxide ($CO_2$) in the imidazolium-based ionic liquids with methylsulfate anion are presented at pressures up to about 45 MPa and at temperatures between 303.15 K and 343.15 K. The ionic liquids studied in this work were 1-ethyl-3-methylimidazolium methylsulfate ([emim][$mSO_4$]), 1-butyl-3-methylimidazolium methylsulfate ([bmim][$mSO_4$]). The solubilities of $CO_2$ were determined by measuring the bubble point or cloud point pressures of the binary mixtures using a high-pressure equilibrium apparatus equipped with a variable-volume view cell. The equilibrium pressure increased very steeply at high $CO_2$ compositions. The $CO_2$ solubility in ionic liquids increased with increase of the total length of alkyl chains attached to the imidazolium cation of the ionic liquids. The phase equilibrium data for the $CO_2$ + ionic liquid systems have been correlated using the Peng-Robinson equation of state.

Bioproduction of trans-10,cis-12-Conjugated Linoleic Acid by a Highly Soluble and Conveniently Extracted Linoleic Acid Isomerase and an Extracellularly Expressed Lipase from Recombinant Escherichia coli Strains

  • Huang, Mengnan;Lu, Xinyao;Zong, Hong;Zhuge, Bin;Shen, Wei
    • Journal of Microbiology and Biotechnology
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    • v.28 no.5
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    • pp.739-747
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    • 2018
  • The low solubility and high-cost recovery of Propionibacterium acnes polyunsaturated fatty acid isomerase (PAI) are key problems in the bioproduction of high value-added conjugated linoleic acid (CLA). To improve the solubility of recombinant PAI, six chaperone proteins were coexpressed with PAI. Introduction of GroELS proteins dramatically improved the PAI solubility from 29% to 97%, with increased activity by 57.8%. Combined expression of DnaKJ-GrpE and GroELS proteins increased the activity by 11.9%. In contrast, coexpression of DnaKJ-GrpE proteins significantly reduced the activity by 57.4%. Plasmids pTf16 harboring the tig gene and pG-Tf2 containing the tig and groEL-groES genes had no visible impact on PAI expression. The lytic protein E was then introduced into the recombinant Escherichia coli to develop a cell autolysis system. A 35% activity of total intracellular PAI was released from the cytoplasm by suspending the lysed cells in distilled water. The PAI recovery was further improved to 81% by optimizing the release conditions. The lipase from Rhizopus oryzae was also expressed in E. coli, with an extracellular activity of 110.9 U/ml. By using the free PAI and lipase as catalysts, a joint system was established for producing CLA from sunflower oil. Under the optimized conditions, the maximum titer of t-10,c-12-CLA reached 9.4 g/l. This work provides an effective and low-cost strategy to improve the solubility and recovery of the recombinant intracellular PAI for further large-scale production of CLA.

Structural Interpretation on the Mechanism of High $La_2S_3$ Solubility in $GeS_2-Ga_2S_3-La_2S_3$Glasses ($GeS_2-Ga_2S_3-La_2S_3$ 유리 구조 분석을 통한 $La_2S_3$ 용융성 규명)

  • Yoon, Joong-Min;Heo, Jong;Ryou, Sun-Youn
    • Journal of the Korean Ceramic Society
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    • v.34 no.8
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    • pp.870-876
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    • 1997
  • Ge-Ga-S glasses, contrary to other well-known chalcogenide glasses, show high rare-earth solubility. Raman spectra of GeS2-Ga2S3 glasses showed that two peaks at 260 cm-1 and 385 cm-1 increased in intensity with the addition of Ga2S3. These peaks are associated with the vibration of Ge-Ge bonds and edge-shared [GsS4] tetrahedra, respectively. In GeS2-Ga2S3-La2S3 glasses, the peak at 260 cm-1 decreased in intensity with addition of La2S3 and the one at 375 cm-1 due to the vibration of tetrahedra with non-bridging sulfurs increased. It indicated that La, or rare-earths in general, can easily be dissolved into the glass network as charge compensators for non-bridging sulfurs which were formed through the dissociation of Ge-Ge bonds and edge-shared [GaS4] tetrahedra. Since no such structural modification is expected in glasses as Ga-As-S, these peculiar transitions on the connection scheme in Ga-containing chalcogenide glasses seem to be playing the most important role on the enhanced rare-earth solubility.

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Geochemical Modeling on Behaviors of Radionuclides (U, Pu, Pd) in Deep Groundwater Environments of South Korea (한국 심부 지하수 환경에서의 방사성 핵종(우라늄, 플루토늄, 팔라듐)의 지화학적 거동 모델링)

  • Jaehoon Choi;SunJu Park;Hyunsoo Seo;Hyun Tai Ahn;Jeong-Hwan Lee;Junghoon Park;Seong-Taek Yun
    • Economic and Environmental Geology
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    • v.56 no.6
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    • pp.847-870
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    • 2023
  • The safe disposal of high-level radioactive waste requires accurate predictions of the long-term geochemical behavior of radionuclides. To achieve this, the present study was conducted to model geochemical behaviors of uranium (U), plutonium (Pu), and palladium (Pd) under different hydrogeochemical conditions that represent deep groundwater in Korea. Geochemical modeling was performed for five types of South Korean deep groundwater environment: high-TDS saline groundwater (G1), low-pH CO2-rich groundwater (G2), high-pH alkaline groundwater (G3), sulfate-rich groundwater (G4), and dilute (fresh) groundwater (G5). Under the pH and Eh (redox potential) ranges of 3 to 12 and ±0.2 V, respectively, the solubility and speciation of U, Pu, and Pd in deep groundwater were predicted. The result reveals that U(IV) exhibits high solubility within the neutral to alkaline pH range, even in reducing environment with Eh down to -0.2 V. Such high solubility of U is primarily attributed to the formation of Ca-U-CO3 complexes, which is important in both G2 located along fault zones and G3 occurring in granitic bedrocks. On the other hand, the solubility of Pu is found to be highly dependent on pH, with the lowest solubility in neutral to alkaline conditions. The predominant species are Pu(IV) and Pu(III) and their removal is predicted to occur by sorption. Considering the migration by colloids, however, the role of colloid formation and migration are expected to promote the Pu mobility, especially in deep groundwater of G3 and G5 which have low ionic strengths. Palladium (Pd) exhibits the low solubility due to the precipitation as sulfides in reducing conditions. In oxidizing condition, anionic complexes such as Pd(OH)3-, PdCl3(OH)2-, PdCl42-, and Pd(CO3)22- would be removed by sorption onto metal (hydro)oxides. This study will improve the understanding of the fate and transport of radionuclides in deep groundwater conditions of South Korea and therefore contributes to develop strategies for safe high-level radioactive waste disposal.