• Bulletin of the Korean Chemical Society
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• 제27권2호
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• pp.211-218
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• 2006

This work deals with 24 substances composed of nitrogen-containing heterocycles. The relationships between the chromatographic retention factor (k) and those physicochemical properties which are relevant in quantitative structure-properties relationship (QSPR) studies, such as the polarizability $(\alpha)$, molar refractivity (MR), lipophilicity (logP), dipole moment $(\mu)$, total energy $(E_{tot})$, heat of formation $(\Delta H_f)$, molecular surface area $(S_M)$, and binding energy $(E_b)$, were investigated. The accuracy of the simple linear regressions between the chromatographic retention and the descriptors for all of the compounds was satisfactory (correlation coefficient, $0.8 \leq r \leq 1.0$). The QSPR models of these nitrogen-containing heterocyclic compounds could be predicted with a multiple linear regression equation having the statistical index, r = 1.000. This work demonstrated the successful application of the multiple linear approaches through the development of accurate predictive equations for retention factors in liquid chromatography.

• 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.

• Bulletin of the Korean Chemical Society
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• 제29권5호
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• pp.979-984
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• 2008

In this study, 8 solutes (aniline, caffeine, p-cresol, ethyl benzene, methylparaben, phenol, pyridine, and toluene) have been tested in terms of linear solvation energy relationships (LSER). Several micellar liquid chromatography (MLC) systems using cationic surfactant cetyltrimethylammonium bromide (CTAB) and a mixture of water with (methanol, n-propanol, and n-butanol) modifiers were characterized using the LSER solvation parameter model. The effects of the surfactant and modifier concentration on the retention in MLC were discussed. LSER model had demonstrated high potential to predict retention factors with high squared correlation coefficients ($r^2$ > 0.99). A comparison of predicted and experimental retention factors suggests that LSER formalism is able to reproduce adequately the experimental retention factors of the solutes studied in the different experimental conditions investigated. This model is a helpful tool to understand the solute-surfactant interactions and evaluate the retention characteristic of micellar liquid chromatography.

• Biotechnology and Bioprocess Engineering:BBE
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• 제8권1호
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• pp.47-53
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• 2003

An experimental study on the chromatographic separation of maltopentaose from a mixture, including glucose, maltose, maltotriose, and maltopentaose, was carried out in a nonionic polymeric sorbent column while varying the operating conditions, such as the solution pH, buffer contents, and isopropyl alcohol (1PA) concentration. Unlike the pH and buffer contents, the IPA concentration had a Significant impact on the single component chromatograms for maltopentaose. The retention times of the maltooligosaccharides with the nonionic polymeric sorbent Sp207 were in the following order: glucose < maltose < maltotriose < maltopentaose. From the experimental binary, ternary, and quaternary chromatograms, gradient chromatographic separation with a changing IPA concentration as a function of time was required to obtain high-purity maltopentaose and reduce the elution time.

• 약학회지
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• 제39권3호
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• pp.283-288
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• 1995

Rapid gas chromatographic profiling method was applied to saliva from healthy subjects for the analysis of free organic acids. Saliva samples were first saturated with NaHCO$_{3}$ and extracted with diethyl ether. The aqueous phase was solid-phase extracted using Chromosorb P as the adsorbent and diethyl ether as the eluent after the acidification and NaCl saturation, followed by triethylamine treatment. The resulting tiiethylammonium salts of acids were directly converted into stable tert.-butyl-dimethylsflyl derivatives, with subsequent analysis by dual-capiuary column gas chromatography and gas chromatograpy -mass spectrometry. From the ten saliva samples studied, twenty eight free organic acids including various fatty acids, hydroxy acids, dicarboxylic acids, md aromatic acids were tentatively identified. Among the acids identified , the concentration of lactic acid was highest for five saliva samples while $\alpha$-hydroxyisocaproic acid was most abundant for me sample, and succinic acid and glycolic acid for two samples. respectively. When the GC profiles were simplified to the corresponding acid retention index spectra of bar graphical form, they presented characteristic patterns for each individual.

• Bulletin of the Korean Chemical Society
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• 제21권3호
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• pp.358-360
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• 2000

• Journal of Oral Medicine and Pain
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• 제25권1호
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• pp.9-28
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• 2000

The purpose of this article, the first part of series, is to describe the general theory applicable to various chromatographic procedures. History of chromatography, separation of matters, classification of chromatography, underlying principles of separation in chromatography, covering resolution, column efficiency, column selectivity, and capacity factor, movement of solute in chromatographic phase, including elution development, displacement development, and frontal analysis, were discussed. Mathematical description of plate theory and thermodynamic viewpoint of retention were emphasized.

• Bulletin of the Korean Chemical Society
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• 제24권12호
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• pp.1757-1762
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• 2003

The interrelation between retention factors of several L-amino acids and their physico-chemical and structural properties can be determined in chromatographic research. In this paper we describe a predictor for retention factors with various properties of the L-amino acids. Eighteen L-amino acids are included in this study, and retention factors are measured experimentally by RP-HPLC. Binding energy ($E_b$), hydrophobicity (log P), molecular refractivity (MR), polarizability (${\alpha}$), total energy ($E_t$), water solubility (log S), connectivity index (${\chi}$) of different orders and Wiener index (w) are theoretically calculated. Relationships between these properties and retention factors are established, and their predictive and interpretive ability are evaluated. The equation of the relationship between retention factors and various descriptors of L-amino acids is suggested as linear and multiple linear form, and the correlation coefficients estimated are relatively higher than 0.90.

• KSBB Journal
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• 제20권4호
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• pp.260-265
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• 2005

N-CBZ-L-phenylalanine를 주형분자로 하고 MAA와 4-VPY를 기능성 단량체로 하여 분자각인 고분자를 합성하였다. N-CBZ-L-phenylalanine와 MAA, 4-VPY는 수소결합의 영향을 많이 받고 있으며 이온결합과 소수성결합도 작용하고 있다. 혼합성분을 기능성 단량체로 사용함으로 하여 단량체의 성분들 사이에서 상호작용 효과를 나타냈다. 실험결과에 의하면 혼합 성분인 MAA와 4-VPY를 기능성 단량체로 한 분자각인 고분자에서의 체류인자가 단일성분인 MAA를 사용한 고분자에서의 체류인자보다 컸고 컬럼 효율은 낮았지만 분리도는 높았다. 산성인 MAA와 염기성인 4-VPY를 함께 사용함으로써 거울상 이성질체인 N-CBZ-L-phenylalanine과 N-CBZ-D- phenylalanine의 분리도를 증가시킬 수 있었다. 혼합된 성분의 기능성 단량체로하여 제조된 분자각인 고분자를 키랄 물질의 분리를 비롯한 천연물질의 분리에 더 광범위하게 사용될 수 있을 것이다.

• Bulletin of the Korean Chemical Society
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• 제25권12호
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• pp.1807-1811
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• 2004

Supercritical fluid chromatography (SFC) was considered for separating racemic ibuprofen. The chromatographic column (3.9 ${\times}$ 150 mm) was packed with Kromasil$^{\circledR}$ CHI-TBB, and the mobile phase was supercritical carbon dioxide with modifier of IPA. The experimental variables were the content of IPA, and temperature and pressure of supercritical mobile phase. To determine the separation condition, the empirical equation of retention factor and resolution was proposed. In the case of retention factor, the empirical equation was in the form, $k\;=\;a{\rho}\;+b/F\;+\;c\;({\rho}/F)\;+\;d$. The empirical equation for resolution was proposed as a linear form, $R\;=\;a{\rho}\;+\;bF\;+\;c$.