• 제목/요약/키워드: neutral inhibition

검색결과 92건 처리시간 0.027초

탄소강 부식 억제제로서 알칸 티올의 Ab-initio DFT 모델링 (Ab-initio DFT Modeling of Alkanethiols as Carbon Steel Corrosion Inhibitors)

  • 핫산 라기즈;이한승
    • 한국건축시공학회:학술대회논문집
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    • 한국건축시공학회 2021년도 봄 학술논문 발표대회
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    • pp.91-92
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    • 2021
  • In the present work, we simulated and explained the bonding of three alkanethiols - hexanethiol (HT), decanethiol (DT), and 11-mercaptoundecanoic acid (MDA) - with Fe(110) surface and Fe2 clusters using Density Functional Theory (DFT) to probe the corrosion inhibition mechanisms. The interaction energies computed from periodic DFT calculations successfully predicted the experimental inhibition performance. We have found strong covalent bond formation between S(thiol) and Fe-atoms in both approaches, further confirmed by the projected density of states and electron density difference. Besides, natural bond orbital (NBO) charge distribution showed that DT had stronger electron-donation and back-donation synergic interactions with Fe-atoms.

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Synthesis of Selective Butyrylcholinesterase Inhibitors Coupled between α-Lipoic Acid and Polyphenols by Using 2-(Piperazin-1-yl)ethanol Linker

  • Yeun, Go Heum;Lee, Seung Hwan;Lim, Yong Bae;Lee, Hye Sook;Won, Moo-Ho;Lee, Bong Ho;Park, Jeong Ho
    • Bulletin of the Korean Chemical Society
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    • 제34권4호
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    • pp.1025-1029
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    • 2013
  • In the previous paper (Bull. Korean Chem. Soc., 2011, 32, 2997), the hybrid molecules between ${\alpha}$-lipoic acid (ALA) and polyphenols (PPs) connected with neutral 2-(2-aminoethoxy)ethanol linker (linker-1) showed new biological activity such as butyrylcholinesterase (BuChE) inhibition. In order to increase the binding affinity of the hybrid compounds to cholinesterase (ChE), the neutral 2-(2-aminoethoxy)ethanol (linker 1) was switched to the cationic 2-(piperazin-1-yl)ethanol linker (linker 2). The $IC_{50}$ values of the linker-2 hybrid molecules for BuChE inhibition were lower than those of linker-1 hybrid molecules (except 9-2) and they also had the same great selectivity for BuChE over AChE (> 800 fold) as linker-1 hybrid molecules. ALA-acetyl caffeic acid (10-2, ALA-AcCA) was shown as an effective inhibitor of BuChE ($IC_{50}=0.44{\pm}0.24{\mu}M$). A kinetic study using 7-2 showed that it is the same mixed type inhibition as 7-1. Its inhibition constant (Ki) to BuChE is $4.3{\pm}0.09{\mu}M$.

염산과 NaCl 수용액에서 알루미늄의 부식에 미치는 아미노산의 부식억제효과 (Comparative Study of Corrosion Inhibition in Acidic and Neutral Chloride Media by Some Amino Acids)

  • 윤종화;김연규
    • 대한화학회지
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    • 제62권5호
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    • pp.364-371
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    • 2018
  • 공기가 제거된 0.5 M HCl 과 0.5 M NaCl 용액에서 일어나는 알루미늄의 부식에 대하여 알라닌(Ala), 히스티딘(His) 과 메티오닌(Met)의 부식억제 효과를 조사하였다. HCl에 용해된 Ala, His, Met의 경우 모두 환원반응 속도가 감소되어 부식이 억제 되었으며, 부식억제 효율은 Met$10^{-4\;}M$ 보다 묽은 용액에서 Langmuir 흡착 등온식이 적용되었으나 $10^{-4\;}M$ 보다 진한 용액에서는 흡착된 분자 사이의 상호작용에 의하여 Temkin의 대수함수 등온식이 적용되었다.

3.5 중량% NaCl 매질에서 구리에 대한 새로운 티아졸리딘디온 유도체의 부식 억제 특성 (Corrosion Inhibition Properties of New Thiazolidinedione Derivatives for Copper in 3.5 wt.% NaCl Medium)

  • 하산 르가즈;이한승
    • 한국건축시공학회:학술대회논문집
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    • 한국건축시공학회 2021년도 가을 학술논문 발표대회
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    • pp.27-28
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    • 2021
  • The search for new corrosion inhibitors for different corrosive mediums is a never-ending task. In the present work, the corrosion inhibition behavior and adsorption mechanism of two novel synthetic thiazolidinedione derivatives noted MTZD and ATZD in 3.5 wt.% NaCl solution on copper were investigated. Electrochemical, scanning electron microscope (SEM), atomic force microscopy (AFM) techniques were used along with first-principles DFT calculations. At maximum inhibitor concentration i.e., 300 ppm corrosion inhibition efficiency reached maximum up to 90% and 96% for MTZD and ATZD, respectively, and thereby followed the order of ATZD > MTZD. The inhibition efficiency increased up to 24 h of immersion, and then decreased after 48h immersion. The potentiodynamic curves suggested that the inhibition action of tested compounds is a mixed type of inhibitor. The first-principles DFT calculations suggested that compounds under investigation formed covalent bonds with Cu(111) surface via reactive sites. SEM and AFM results confirmed the formation of protective barrier that prevent corrosion attack.

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Neutral Pretense를 생산하는 Bacillus sp. DS-1 균주의 분리와 효소 생산성 (Isolation and Enzyme Production of a Neutral Protease-Producing Strain, Bacillus sp. DS-1.)

  • 전대식;강대경;김하근
    • 한국미생물·생명공학회지
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    • 제30권4호
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    • pp.346-351
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    • 2002
  • 토양으로부터 pretease활성이 우수한 균주를 선별하여 형태학적, 생화학적 동정과정 및 16 rRNA염기서열 분석 등의 방법을 이용하여 Bacillus sp. DS-1으로 동정하였다. Bacillus sp. DS-1은 초기 배지의 pH가 7.0인 조건에서 정지기에서 가장 높은 활성을 나타내었다. Bacillus sp. DS-1으로부터 protease를 생산하기 위해 탄소원으로는 1% glucose, 질소원으로는 1% yeast extract를 첨가할 때 대조구와 비교하여 각각 20%와 30% 더 효과적인 것으로 나타났다. Bacillus sp. DS-1이 생산하는 protease의 최적활성은 55$^{\circ}C$와 pH 7.0이었다. 1 mM의 EDTA첨가에 의해 protease활성이 84%실활 되었고 이 결과로부터 Bacillus sp. DS-1의 상등액에 존재하는 주된 protease 활성은 metalloprotease임을 알 수 있었다.

Stability of Separated ACE Inhibitory Peptides under Condition of Various pH, Temperature, Gastric Digestion (In Vitro)

  • Jang, Ae-Ra;Lee, Moo-Ha
    • 한국축산식품학회:학술대회논문집
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    • 한국축산식품학회 2005년도 제36차 추계 학술발표대회
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    • pp.329-333
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    • 2005
  • ACE inhibition activity of peptides was measured after 2 months of storage at $4^{\circ}C$ under condition of pH 6.0, 6.5, 7.0, 7.5, 8.0. and the ACE inhibitory activity were changed only slightly. After 2 months of chilled storage ($4^{\circ}C$), no dramatic change and significance was found. This indicates that acidic, neutral, weak alkali conditions did not affect ACE inhibitory activity of those peptides. Among peptide 1134, 1152, and 1155, peptides from thermolysin + protease A hydrolysates, inhibition activity of peptide 1134 and 1152 was decreased significantly at $60^{\circ}C$, however, they showed stable inhibition activity from $70^{\circ}C$ to $100^{\circ}C$ (P<0.001). Also, chromatogram of peptide 1134, 1152, and 1155 was shown that retention time of peptide of $60^{\circ}C$ was not correspond to the retention time of the rest of peptides. This indicated that temperature may change the inhibitory activity and profile of peptides.

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삼화산(三和散)이 대뇌피질(大腦皮質) microsome분획(分劃)에서 Na-K-ATPase활성(活性)에 미치는 영향(影響) (Effect of Sam Hwa San on Na-K-ATPase Activity in Microsomal Fraction of Rabbit Cerebral Cortex)

  • 김길섭;정지천
    • 대한한의학회지
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    • 제16권1호통권29호
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    • pp.281-294
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    • 1995
  • The effect of Sam Hwa San on the Na-K-ATPase activity was evaluated in microsomal fraction prepared from rabbit cerebral cortex to determine whether Sam Hwa San affects Na-K-ATPase activity of nervous system. Sam Hwa San markedly inhibited the Na-K-ATPase activity in a dose-dependent manner with an estimated $I_{50}$ of 0.12%. Optimal pH for the Na-K-ATPase activity was at 7.5 in the presence or absence of Sam Hwa San. The degree of inhibition by the drug more increased at acidic and alkalic pHs than neutral pH. Kinetic studies of substrate and cationic activation of the enzyme indicate classic noncompetitive inhibition fashion for ATP, Na and K, showing significant reduction in Vmax without a change in Km. Dithiothreitol, a sulfhydryl reducing reagent, partially protects the inhibition of Na-K-ATPase activity by Sam Hwa San. Combination of Sam Hwa San and ouabain showed higher inhibition than cumulative inhibition. These results suggest that Sam Hwa San inhibits Na-K-ATPase activity in central nervous system by reacting with, at least a part, sulfhydryl group and ouabain binding site of the enzyme protein, but with different binding site from those of ATP, Na and K.

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CALMOSTINOL, A NEW CALPAIN INHIBITOR PRODUCED BY AN ACTINOMYCETE

  • Chung, Myung-Chul;Lee, Ho-Jae;Lee, Choong-Hwan;Chun, Hyo-Kon;Kho, Yung-Hee
    • 한국응용약물학회:학술대회논문집
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    • 한국응용약물학회 1998년도 Proceedings of UNESCO-internetwork Cooperative Regional Seminar and Workshop on Bioassay Guided Isolation of Bioactive Substances from Natural Products and Microbial Products
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    • pp.127-127
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    • 1998
  • Specific inhibitors of a calcium activated neutral protease calpain could be used for the treatment of neurodegenerative diseases, cataract and muscular dystrophy diseases because of their therapeutic effects. In the course of screening for potential calpain inhibitors from microorganisms, a new analogue of chymostatins named calmostinol was isolated from the culture filtrate of an actinomycete. The MW was determined to be 596 [(M + H)$\^$+/] by FAB-MS in glycerol matrix. The structure was elucidated to be N-[((S)-1-carboxy-2-phenylethyl)-carbamoyl]-${\alpha}$-[2- iminohexahydro-4(S)-pyrimidyl]-L-glycyl- L-valyl-phenylalaninol, by the spectroscopic methods such as NMR and MS fragmentation studies. Calmostinol exhibited strong activity against calpain while not against a Ca$\^$2+/ -independent cysteine protease papain.

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Three-Phase Four-Wire Inverter Topology with Neutral Point Voltage Stable Module for Unbalanced Load Inhibition

  • Cai, Chunwei;An, Pufeng;Guo, Yuxing;Meng, Fangang
    • Journal of Power Electronics
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    • 제18권5호
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    • pp.1315-1324
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    • 2018
  • A novel three-phase four-wire inverter topology is presented in this paper. This topology is equipped with a special capacitor balance grid without magnetic saturation. In response to unbalanced load and unequal split DC-link capacitors problems, a qusi-full-bridge DC/DC topology is applied in the balance grid. By using a high-frequency transformer, the energy transfer within the two split dc-link capacitors is realized. The novel topology makes the voltage across two split dc-link capacitors balanced so that the neutral point voltage ripple is inhibited. Under the condition of a stable neutral point voltage, the three-phase four-wire inverter can be equivalent to three independent single phase inverters. As a result, the three-phase inverter can produce symmetrical voltage waves with an unbalanced load. To avoid forward transformer magnetic saturation, the voltages of the primary and secondary windings are controlled to reverse once during each switching period. Furthermore, an improved mode chosen operating principle for this novel topology is designed and analyzed in detail. The simulated results verified the feasibility of this topology and an experimental inverter has been built to test the power quality produced by this topology. Finally, simulation results verify that the novel topology can effectively improve the inhibition of an inverter with a three-phase unbalanced load while decreasing the value of the split capacitor.

Identification of Three Competitive Inhibitors for Membrane­Associated, $Mg^{2+}-Dependent$ and Neutral 60 kDa Sphingomyelinase Activity

  • Kim Seok Kyun;Jung Sang Mi;Ahn Kyong Hoon;Jeon Hyung Jun;Lee Dong Hun;Jung Kwang Mook;Jung Sung Yun;Kim Dae Kyong
    • Archives of Pharmacal Research
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    • 제28권8호
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    • pp.923-929
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    • 2005
  • Methanol extracts of domestic plants of Korea were evaluated as a potential inhibitor of neutral pH optimum and membrane-associated 60 kDa sphingomyelinase (N-SMase) activity. In this study, we partially purified N-SMase from bovine brain membranes using ammonium sulfate. It was purified approximately 163-fold by the sequential use of DE52, Butyl-Toyopearl, DEAE-Cellulose, and Phenyl-5PW column chromatographies. The purified N-SMase activity was assayed in the presence of the plant extracts of three hundreds species. Based on the in vitro assay, three plant extracts significantly inhibited the N-SMase activity in a time- and concentration-dependent manner. To further examine the inhibitory pattern, a Dixon plot was constructed for each of the plant extracts. The extracts of Abies nephrolepis, Acer tegmentosum, and Ginkgo biloba revealed a competitive inhibition with the inhibition constant (Ki) of $11.9 {\mu}g/mL,\;9.4{\mu}g/mL,\;and\;12.9{\mu}g/mL$, respectively. These extracts also inhibited in a dose-dependent manner the production of ceramide induced by serum deprivation in human neuroblastoma cell line SH-SY5Y.