• 제목/요약/키워드: chemical correlation

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The Time Correlation Function Near (and at) a Stable Steady State, When a Chemical System Relaxes from the Unstable Steady State$^*$

  • Lee, Dong-Jae;Ryu, Moon-Hee;Lee, Jong-Myung
    • Bulletin of the Korean Chemical Society
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    • 제6권2호
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    • pp.91-95
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    • 1985
  • The dynamic properties near (and at) a stable steady state are discussed, when a chemical system relaxes from the unstable steady state. The time-dependent correlation length for the fluctuating variable near a stable steady state is explicitly obtained by introducing the probability average for the variable satisfying the rate equation. The study is carried out about the effect of nonlinearity on the correlation length near (and at) a stable steady state.

Study on the of the Correlation between Soil Chemical Properties and Bioactive Compounds of Acer tegmentosum Maxim.

  • Lee, Dong Hwan;Park, Youngki;Hong, Seong Su;Park, Gwang Hun;Kim, Hyun-Jun
    • 한국자원식물학회지
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    • 제34권6호
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    • pp.566-574
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    • 2021
  • This research was carried out to investigate the correlation between soil chemical properties and bioactive compounds of Acer tegmentosum Maxim. The methods of determining bioactive compounds were determined by high performance liquid chromatography, that contained (-)-gallocatechin (0.04±0.01 ~ 0.43±0.28%), salidroside (0.90±0.06 ~ 3.86±0.59%), tyrosol (0.03±0.00 ~ 0.43±0.00%), (-)-catechin (0.05±0.01 ~ 0.37±0.14%), 6'-O-galloylsalidroside (0.02± 0.01 ~ 0.31±0.06%), (-)-epicatechin-gallate (0.01±0.00 ~ 0.04±0.01%). The soil chemical properties analysis such as soil pH, electric conductivity (EC), organic matter (OM), total nitrogen (TN), available phosphate (Avail. P2O5), exchangeable cation and cation exchange capacity (CEC) were performed following the standard manual. The correlation analysis between soil chemical properties and bioactive compounds of A. tegmentosum, soil pH, available phosphate and exchangeable cation (Ca2+ and Mg2+) were negatively correlated with content of salidroside. On the other hand, soil exchangeable cation (Na+) showed positive correlation with content of salidroside. The results of this study was able to investigate the correlation between soil chemical properties and bioactive compounds of A. tegmentosum.

Use of Correlation of 1H and 13C Chemical Shifts of N-Arylsuccinanilic Acids,N-Arylsuccinimides, N-Arylmaleanilic Acids, and N-Arylmaleimides with the Hammett Substituent Constants for the Studies of Electronic Effects

  • Lee, Hye-Sun;Yu, Ji-Sook;Lee, Chang-Kiu
    • Bulletin of the Korean Chemical Society
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    • 제30권10호
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    • pp.2351-2354
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    • 2009
  • A series of N-arylsuccinanilic acids, N-arylsuccinimides, N-arylmaleanilic acids, and N-arylmaleimides was prepared and their NMR spectra were examined by correlating the $^1H\;and\;^{13}C$ chemical shift values with the corresponding Hammett $\sigma$ values. The carbonyl carbons of the amides show a normal correlation with $\sigma$ but those of the imides show an inverse correlation.

Substituent Chemical Shifts of (E)-1-Aryl-3-thienylpropen-1-ones

  • HanLee, In-Sook;Jeon, Hyun-Ju;Yu, Ji-Sook;Lee, Chang-Kiu
    • Bulletin of the Korean Chemical Society
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    • 제31권6호
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    • pp.1689-1694
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    • 2010
  • Substituent chemical shifts were examined for the 2- and 3-thiophene derivatives of chalcone and compared to the thiophene series of derivatives with the phenyl series. The chemical shift values for the ${\alpha}$-carbons of the enones showed and inverse correlation with the Hammett $\sigma$ values, but the correlation coefficients were moderate (r = 0.836 - 0.878). On the other hand, the $\beta$-carbons showed a normal correlation with excellent correlation coefficients (r = 0.994). The absolute magnitude of the $\rho$ values for the $\alpha$-carbon are about half of those of the $\beta$-carbon. The observation may be the result of a through-space transition of the electronic effect of the substituents in addition to the through bond transition.

화학플랜트에서의 화학물질 누출사고에 대한 배상책임 위험도 산정 (Estimation of the Liability Risk for Release of Chemicals at Chemical Plant)

  • 문정만;박달재
    • Korean Chemical Engineering Research
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    • 제58권3호
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    • pp.438-449
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    • 2020
  • 본 연구는 화학 및 석유화학 플랜트 등의 장치산업에서 사업장 외부로 유해화학물질이 누출·확산되어 발생할 수 있는 배상책임 위험도에 대한 산정 방식을 개선하고자 하였다. 이를 위해 환경부 사고대비 물질(14종)에 대해 누출·확산 시뮬레이션, 화학물질 누출사고 사례 분석, 식물피해 영향 자료 분석 등을 통하여 화학물질 누출사고 배상책임 위험도와의 상관관계인자를 도출하였고, 도출된 결과를 바탕으로 화학물질 배상 책임 위험도 산정 방법을 수정·보완하였다. 14종의 화학물질의 Probit 값과 EURAM 배상책임 위험도의 상관계수는 -0.526로 나타났고, 수정된 화학물질 누출사고 배상책임 위험도와의 상관계수는 0.319로 상관성이 있는 것으로 분석되었다. 수정된 산정 방법론으로 97종에 대한 배상책임 위험도와 ERPG-2 값의 상관계수는 -0.494로 분석되었고, 이는 기존 배상책임 위험도와의 상관관계보다 약 19배 높은 상관관계를 보였고, 부식위험도 값과의 상관계수는 0.91로 분석되었다. 위험도의 증가와 감소에 영향을 미친 상관관계 인자의 표준화 회귀계수(β) 값은 Corrosion Index (0.713), ERPG-2 (0.400), NFPA_Health Index (0.068) 크기 순서로 도출되었다. 이러한 연구결과는 기존과 신규 화학물질의 합리적인 배상책임 위험도 산정이 가능하게 하고, 사업장에서 정량적인 배상책임 위험관리 지표로 활용하는데 도움이 되리라 판단된다.

Estimation for Retention Factor of Isoflavones in Physico-Chemical Properties

  • Lee, Seung-Ki;Row, Kyung-Ho
    • Bulletin of the Korean Chemical Society
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    • 제24권9호
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    • pp.1265-1268
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    • 2003
  • The estimation of retention factors by correlation equations with physico-chmical properties maybe helpful in chromatographic work. The physico-chemical properties were water solubility (S), hydrophobicity (P), total energy ($E_t$), connectivity index 1 ($^1{\chi}$), hydrophilic-lipophlic balance (x) and hydrophilic surface area (h) of isoflavones. The retention factors were experimentally measured by RP-HPLC. Especially, the empirical regulations of water solubility and hydrophobicity were expressed in a linear form. The equation between retention factors and various physico-chemical properties of isoflavones was suggested as $k = a_0 + a_1\;log S + a_2log\;P^Q + a_3(E_t) + a_4(^1{\chi}) + a_5(x) + a_6(h)$, and the correlation coefficients estimated were relatively higher than 0.95. The empirical equations might be successfully used for a prediction of the various chromatographic characteristics of substances, with a similar chemical structure.

The Time Correlation Function between Fluctuating Concentrations in the Metabolic System with Negative Feedback

  • Kim, Cheol-Ju;Ko, Seuk-Beum;Lee, Jong-Myung;Jeon, Il-Cheol;Lee, Dong J.;Shin, Kook-Joe
    • Bulletin of the Korean Chemical Society
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    • 제9권6호
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    • pp.382-384
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    • 1988
  • The explicit form of time correlation function between fluctuating concentrations is obtained for the model of metabolic system with negative feedback near a stable(or marginally stable) steady state.