• Bulletin of the Korean Chemical Society
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• v.7 no.2
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• pp.106-108
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• 1986

Exciton chirality method was applied for the determination of absolute configuration of panaxynol, a poly-yne compound from Panax ginseng roots for the first time. The circular dichroic spectra of panaxynol benzoates show the negative chirality at ${\lambda}_{ext}$, indicating the S configuration of C-3 chiral center.

• Archives of Pharmacal Research
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• v.14 no.2
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• pp.160-164
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• 1991

The existence in nature of two isomers of 28-nortriterpenes is known. One is normal D/E cis form and the other is $17\alpha$-hydrogen D/E trans form. Since the latter cannot exist with ring D in the chair conformation, the chiroptical method is not applicable to determination of the absolute configuration. The stereochemical assignment would now be made by NMR data. Confirmation of this view could be provided by the synthesis of $3\beta, 21\beta-{dihydroxy-16-keto-28-nor-17}\alpha, \;18\beta-{olean-12-ene}$ as a model compound.

• Proceedings of the Polymer Society of Korea Conference
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• 2006.10a
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• pp.241-241
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• 2006

Absolute configuration of carboxylic acids, including amino acids can be determined by circular dichroism (CD) exciton chirality method. This method employs cyclic oligopyrroles able to form stable complexes with carboxylic acids. Addition of carboxylic acids to the oligopyrroles induce CD spectrum at the macrocycle absorption region and in which the sign of the $1^{st}$ Cotton effect is determined solely by the absolute configuration of the carboxylic acid. The basicity of the pyrrole nitrogen can be controlled by macrocycle substitution thus yielding more sensitive chirality sensors.

• Biomolecules & Therapeutics
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• v.31 no.5
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• pp.566-572
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• 2023

A chiral derivatization strategy with phenylglycine methyl ester (PGME) was employed to develop a straightforward method to determine the absolute configurations of N,N-dimethyl amino acids. The PGME derivatives were analyzed using liquid chromatography-mass spectrometry to identify the absolute configurations of various N,N-dimethyl amino acids based on their elution time and order. The established method was applied to assign the absolute configuration of the N,N-dimethyl phenylalanine in sanjoinine A (4), a cyclopeptide alkaloid isolated from Zizyphi Spinosi Semen widely used as herbal medicine for insomnia. Sanjoinine A displayed production of nitric oxide (NO) in LPS-activated RAW 264.7 cells.

• Applied Chemistry for Engineering
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• v.23 no.6
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• pp.577-582
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• 2012

In this work, vibrational circular dichroism (VCD) technique was applied for the determination of %EE of chiral compounds. It may provide an easy way to determine the %EE with a proper accuracy within 2% error ranges as well as the absolute configuration of enantiomers. We demonstrated herein a flow cell VCD (FT-VCD) technique for time-dependent %EE measurements. The simultaneous monitoring of the mole fraction and %EE for two chiral species (epichlorohydrin and glycidol mixture) in the mixture was shown to be successful without any further separation steps. Thus, we demonstrate that FT-VCD is an appropriate analytical tool to monitor the kinetics of reactions involving chiral molecules. FT-VCD also provides a convenient nondestructive approach for the time dependent determination of the optical purity of individual components in a reaction mixture containing chiral molecules.

• Bulletin of the Korean Chemical Society
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• v.33 no.1
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• pp.297-300
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• 2012

• Proceedings of the PSK Conference
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• 2002.10a
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• pp.399.2-399.2
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• 2002

Capillary electrophoretic direct chiral separation method is described for the determination of the absolute configuration of chiral aromatic acids, The enantiomeric separation was achieved by capillary electrophoresis using HP $\beta$-cyclodextrin (CD) as the chiral selector. The effect of CD concentration was investigated to optimize the chiral separation and resolution. When applied to microbial culture fluid. the present method allowed positive identification of chiral aromatic acids and their chirality as well.

• Bulletin of the Korean Chemical Society
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• v.24 no.9
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• pp.1269-1275
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• 2003

The quaternary carbon-containing alcohols (1-6) were resolved enantioselectively by various lipases such as PFL (Pseudomonas fluorescens lipase), LAK (Pseudomonas fluorescens lipase), CRL (Candida rugosa lipase) and PCL (Pseudomonas cepacia lipase). The enzymatic resolution of racemic alcohol $({\pm})-2$ gave the excellent enantioselectivity in favor of (S)-2d in 99% ee, while those of the racemic alcohols (1, 3, 4, 5 and 6) gave the resolved alcohols with moderate to good enantioselectivity. Also, their absolute configurations were determined by chemical transformation to the known compounds.

• Bulletin of the Korean Chemical Society
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• v.31 no.8
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• pp.2211-2214
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• 2010

The whole plant of Euphorbia helioscopia is an important traditional Chinese medicine. Fom its BuOH soluble extract, one new lactam (1), three new terpenoids (2-4) including a new naturally occurring compound, and three known compounds were isolated. Their structures were identified by spectroscopic evidences. In particular, the absolute configurations of side chain of compounds 1 and 2 were determined using computational methods.

• Computers and Concrete
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• v.32 no.2
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• pp.149-163
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• 2023

One of the main design parameters traditionally utilized in projects of geotechnical engineering is the uniaxial compressive strength. The present paper employed three artificial intelligence methods, i.e., the stochastic fractal search (SFS), the multi-verse optimization (MVO), and the vortex search algorithm (VSA), in order to determine the compressive strength of concrete (CSC). For the same reason, 1030 concrete specimens were subjected to compressive strength tests. According to the obtained laboratory results, the fly ash, cement, water, slag, coarse aggregates, fine aggregates, and SP were subjected to tests as the input parameters of the model in order to decide the optimum input configuration for the estimation of the compressive strength. The performance was evaluated by employing three criteria, i.e., the root mean square error (RMSE), mean absolute error (MAE), and the determination coefficient (R²). The evaluation of the error criteria and the determination coefficient obtained from the above three techniques indicates that the SFS-MLP technique outperformed the MVO-MLP and VSA-MLP methods. The developed artificial neural network models exhibit higher amounts of errors and lower correlation coefficients in comparison with other models. Nonetheless, the use of the stochastic fractal search algorithm has resulted in considerable enhancement in precision and accuracy of the evaluations conducted through the artificial neural network and has enhanced its performance. According to the results, the utilized SFS-MLP technique showed a better performance in the estimation of the compressive strength of concrete (R²=0.99932 and 0.99942, and RMSE=0.32611 and 0.24922). The novelty of our study is the use of a large dataset composed of 1030 entries and optimization of the learning scheme of the neural prediction model via a data distribution of a 20:80 testing-to-training ratio.