• Title/Summary/Keyword: Residue Energy

Search Result 254, Processing Time 0.024 seconds

The Kinetics and Activation Energy for the Mutarotation or Optically Active Poly(trans-5-methyl-L-proline (광활성 Poly(trans-5-methyl-L-proline)의 변광회전에 대한 반응속도와 활성화에너지)

  • Han Man Jung
    • Journal of the Korean Chemical Society
    • /
    • v.22 no.6
    • /
    • pp.386-395
    • /
    • 1978
  • The rates of the forward mutarotation of poly(trans-5-methyl-L-proline) in trifluoro-ethanol and of the reverse mutarotation in trifluoroethanol-n-butanol (1:4 v/v) have been measured at a number of temperatures and polymer concentrations. It was found that both mutarotations are of first-order with respect to the polymer concentration. A modified Arrhenius equation to evalute the activation energy was derived for the reaction kinetics, in which the relation between the measured physical properties and concentration, and the order of tle reaction are uncertain. The activation energies for the forward and reverse mutarotation were found to be 32.5 and 33.5 kcal per residue mole, respectively, which are about 10 kcal per residue mole higher than the $E_a$ for the mutarotation of polyproline (the resonance energy of amide bonds). The excessive quantity of the activation energy was attributed to the steric barrier between carbonyl and methyl groups during the cis-trans isomerization of amide bonds in the polymer.

  • PDF

Theoretical Characterization of Binding Mode of Organosilicon Inhibitor with p38: Docking, MD Simulation and MM/GBSA Free Energy Approach

  • Gadhe, Changdev G.;Balupuri, Anand;Kothandan, Gugan;Cho, Seung Joo
    • Bulletin of the Korean Chemical Society
    • /
    • v.35 no.8
    • /
    • pp.2494-2504
    • /
    • 2014
  • P38 mitogen activated protein (MAP) kinase is an important anti-inflammatory drug target, which can be activated by responding to various stimuli such as stress and immune response. Based on the conformation of the conserved DFG loop (in or out), binding inhibitors are termed as type-I and II. Type-I inhibitors are ATP competitive, whereas type-II inhibitors bind in DFG-out conformation of allosteric pocket. It remains unclear that how these allosteric inhibitors stabilize the DFG-out conformation and interact. Organosilicon compounds provide unusual opportunity to enhance potency and diversity of drug molecules due to their low toxicity. However, very few examples have been reported to utilize this property. In this regard, we performed docking of an inhibitor (BIRB) and its silicon analog (Si-BIRB) in an allosteric binding pocket of p38. Further, molecular dynamics (MD) simulations were performed to study the dynamic behavior of the simulated complexes. The difference in the biological activity and mechanism of action of the simulated inhibitors could be explained based on the molecular mechanics/generalized Born surface area (MM/GBSA) binding free energy per residue decomposition. MM/GBSA showed that biological activities were related with calculated binding free energy of inhibitors. Analyses of the per-residue decomposed energy indicated that van der Waals and non-polar interactions were predominant in the ligand-protein interactions. Further, crucial residues identified for hydrogen bond, salt bridge and hydrophobic interactions were Tyr35, Lys53, Glu71, Leu74, Leu75, Ile84, Met109, Leu167, Asp168 and Phe169. Our results indicate that stronger hydrophobic interaction of Si-BIRB with the binding site residues could be responsible for its greater binding affinity compared with BIRB.

A Study of Microwave Waste Tire Pyrolysis in a Batch Reactor (회분식 반응기에서의 마이크로파 폐타이어 열분해 연구)

  • KIM, SEONG-SOO
    • Transactions of the Korean hydrogen and new energy society
    • /
    • v.28 no.5
    • /
    • pp.577-583
    • /
    • 2017
  • A series of microwave waste tire pyrolysis experiments were conducted using a lab-scale batch reactor to delineate the effects of microwave ouput power on the pyrolysis behavior of waste tire. As results of experiments, it was found that as the microwave output power was increased from 1.22 kW/kg to 2.26 kW/kg, the reaction temperature and oil yield increased significantly and the required time and microwave power consumption decreased remarkably, respectively. With increased power consumption, the content of the fixed carbon of pyrolysis residue increased.

Development of Health, Safety and Environmental Risks from the Operation of CdTe and CIS Thin-Film Modules (CdTe와 CIS 박막 모듈의 운전시 건강, 안전 및 환경위험에 대한 고찰)

  • Lee, Sung-Rae
    • Journal of the Korean Solar Energy Society
    • /
    • v.28 no.3
    • /
    • pp.21-26
    • /
    • 2008
  • Solar cells are renewable energy source which is not only environmentally friendly but also economically viable. For that matter, thin film materials are in observed with great in terest by a number of sources throughout the nations. Among these, CdTe (Cadium telluride) and CIS (copper indium diselenide) are the latest commercial products that are gathering attention in the solar cells markets. However there are some downsides to this newly invention. Since the materials are embedded, in the occasion of damage, certain amount of module residue can be released to water or soil. This paper outlines the results of our outdoor leaching experiments on photovoltaic (PV) samples broken into small fragments and been observed for 1 year.

Estimation of Biomass Resources Potential (바이오매스 자원 잠재량 산정)

  • Lee, Joon-pyo;Park, Soon-chul
    • Journal of the Korean Solar Energy Society
    • /
    • v.36 no.1
    • /
    • pp.19-26
    • /
    • 2016
  • Biomass has been used for energy sources from the prehistoric age. Biomass are converted into solid, liquid or gaseous fuels and are used for heating, electricity generation or for transportation recently. Solid biofuels such as bio-chips or bio-pellet are used for heating or electricity generation. Liquid biofuels such as biodiesel and bioethanol from sugars or lignocellulosics are well known renewable transportation fuels. biogas produced from organic waste are also used for heating, generation and vehicles. Biomass resources for the production of above mentioned biofuels are classified under following 4 categories, such as forest biomass, agricultural residue biomass, livestock manure and municipal organic wastes. The energy potential of those biomass resources existing in Korea are estimated. The energy potential for dry biomass (forest, agricultural, municipal waste) were estimated from their heating value contained, whereas energy potential of wet biomass (livestock manure, food waste, waste sludge) is calculated from the biological methane potential of them on annual basis. Biomass resources potential of those 4 categories in Korea are estimated to be as follows. Forest biomass 355.602 million TOE, agricultural biomass 4.019 million TOE, livestock manure biomass 1.455 million TOE, and municipal organic waste 1.074 million TOE are available for biofuels production annually.

A Study on the Neoasozine Residues in Rice Grain by Neutron Activation Method (방사화(放射化) 분석법(分析法)에 의한 미곡(米穀)중 네오아소진 잔류분(殘留分)에 관한 연구(硏究))

  • Kim, Yong-Hwa;Lee, Koon-Ja;Lee, Su-Rae
    • Korean Journal of Food Science and Technology
    • /
    • v.13 no.1
    • /
    • pp.20-24
    • /
    • 1981
  • Residues of neoasozine in rice grain were determined by neutron activation and colorimetric techniques. Twice application of the chemical before flowering did not lead to any increased residue level while 4-times application resulted in significant increase in the residue level up to 0.54-0.75 mg $As_2O_3/kg$. The partition ratio of arsenic residues into polished rice grain and bran was 73 : 27 in 100% polishing while most of the residues in the bran was transferred to oil cake fraction during solvent extraction, reaching up to 2.9 mg $As_2O_3/kg$. The neutron activation technique was advantageous because of its high sensitivity and the smaller sample amounts required for analysis.

  • PDF

Analysis on the Performance and the Emission of the Integrated Gasification Combined Cycle Using Heavy Oil (중잔사유 가스화 복합발전 사이클의 성능 및 환경배출 해석)

  • Lee, Chan;Yun, Yong-Seong
    • Journal of Energy Engineering
    • /
    • v.10 no.3
    • /
    • pp.188-194
    • /
    • 2001
  • The process simulations are made on the IGCC power plant using heavy residue oil from refinery process. In order to model combined power block of IGCC, the present study employs the gas turbine of MS7001FA model integrated with ASU (Air Separation Unit), and considers the air extraction from gas turbine and the combustor dilution by returned nitrogen from ASU. The exhaust gas energy of gas turbine is recovered through the bottoming cycle with triple pressure HRSG (Heat Recovery Steam Generator). Clean syngas fuel of the gas turbine is assumed to be produced through Shell gasification of Visbreaker residue oil and Sulfinol-SCOT-Claus gas cleanup processes. The process optimization results show that the best efficiency of IGCC plant is achieved at 20% air extraction condition in the case without nitrogen dilution of gas turbine combustor find at the 40% with nitrogen dilution. Nitrogen dilution of combustor has very favorable and remarkable effect in reducing NOx emission level, while shifting the operation point of gas turbine to near surge point.

  • PDF

Natural Compounds as Inhibitors of Plasmodium Falciparum Enoyl-acyl Carrier Protein Reductase (PfENR): An In silico Study

  • Narayanaswamy, Radhakrishnan;Wai, Lam Kok;Ismail, Intan Safinar
    • Journal of Integrative Natural Science
    • /
    • v.10 no.1
    • /
    • pp.1-6
    • /
    • 2017
  • Demand for a new anti-malarial drug has been dramatically increasing in the recent years. Plasmodium falciparum enoyl-acyl carrier protein reductase (PfENR) plays a vital role in fatty acid elongation process, which now emerged as a new important target for the development of anti-microbial and anti-parasitic molecules. In the present study, 19 compounds namely alginic acid, atropine, chlorogenic acid, chrotacumine A & B, coenzyme $Q_1$, 4-coumaric acid, curcumin, ellagic acid, embelin, 5-O-methyl embelin, eugenyl glucoside, glabridin, hyoscyamine, nordihydroguaiaretic acid, rohitukine, scopolamine, tlatlancuayin and ursolic acid were evaluated on their docking behaviour on P. falciparum enoyl-acyl carrier protein reductase (PfENR) using Auto dock 4.2. The docking studies and binding free energy calculations exhibited that glabridin gave the highest binding energy (-8.07 kcal/mol) and 4-coumaric acid in contrast showed the least binding energy (-4.83 kcal/mol). All ligands except alginic acid, ellagic acid, hyoscyamine and glabridin interacted with Gln409 amino acid residue. Interestingly four ligands namely coenzyme $Q_1$, 4-coumaric acid, embelin and 5-O-methyl embelin interacted with Gln409 amino acid residue present in both chains (A & B) of PfENR protein. Thus, the results of this present study exhibited the potential of these 19 ligands as P. falciparum enoyl-acyl carrier protein reductase (PfENR) inhibitory agents and also as anti-malarial agents.

Comparison of Analytical Methods of Products in Hydrocracking of Vacuum Residue (감압잔사유 수첨분해반응의 생성물 분석방법 비교)

  • Kweon, Hyuk-Min;Kim, Han-Na;Huy, Chinh Nguyen;Kim, Do-Kyong;Kim, Do-Woan;Oh, Seung-Hoon;Shin, Eun-Woo
    • Clean Technology
    • /
    • v.17 no.1
    • /
    • pp.56-61
    • /
    • 2011
  • In this study, hydrocarcking of vacuum residue was carried out in an autoclave reactor at $450^{\circ}C$ and $500^{\circ}C$ with a commercial catalyst (HDM) and the quantitative product distributions were analyzed by GC-SIMDIS method or simple distillation. During catalytic hydrocracking, thermal cracking also occurred together with catalytic cracking and the higher conversion and selectivity of gasoline and naphtha were obtained at high reaction temperature. GC-SIMDIS and simple distillation revealed different results for the analysis of products produced at different hydrocracking temperatures; almost same results were obtained for the product produced at $500^{\circ}C$ but different ones for the product produced at $450^{\circ}C$. In the analysis of product produced at $450^{\circ}C$, the GC-SIMDIS showed that a main product was VGO while a main product in the simple distillation was diesel, which implies that the simple distillation for the $450^{\circ}C$ reaction was not accurate due to thermal cracking of the product by the simple distillation.

Investigation on Sorting Efficiency for Recyclable Materials and Its Improvement Measure at Domestic Sorting Facility (국내 재활용품 선별시설에서 선별 현황 및 개선방안)

  • Kim, Joo-Sin;Pak, Daewon
    • Journal of the Korea Organic Resources Recycling Association
    • /
    • v.25 no.2
    • /
    • pp.15-26
    • /
    • 2017
  • This study was conducted to investigate and analyze the discharge characteristics of recyclable material from S-city, S-district, in order to improve the sorting efficiency in recycling sorting facility. The characteristics of recyclable materials collected were analyzed in three different scopes; source origin, collection and transportation, and sorting steps. The average of recyclable waste generation is $0.121kg/day^*man$. Regional collection period appears to be three times a week, and the density of mixed recyclable wastes showed the average of $202.4kg/m^3$ in the waste collection vehicle. In the analysis into the sorting steps, the average of carrying amount of mixed recycling products is 1,154.6 ton/month, the average of appeared density is $181kg/m^3$, the average amount of separated recycling products is 448.5kg/month, and the density of recycling residue is found out to be $48kg/m^3$. The sorting rate of recyclable material is 38.85% and the percentage of residues is 55.90%. Out of 7,744.8 tons of the total recyclable residues, 4,272.1 tons were found out to be possible recylable materials. As a result of increasing the recycling rate of residues, the encouragement of base-recycling, the automation and retrofit of sorting equipment, and energy recovery from recycling residue were discussed.