• Bulletin of the Korean Chemical Society
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• v.32 no.9
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• pp.3367-3371
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• 2011

An easy and convenient synthetic route to (S)-2-hydroxy-2'-(3-phenyluryl-benzyl)-1,1'-binaphthyl-3-carboxaldehyde (1), capable of recognizing tryptophan by fluorescence has been developed. The binol carboxaldehyde 1 exhibited a high selectivity to L-tryptophan over other examined L-${\alpha}$-amino acids such as alanine, phenylalanine, glutamine, arginine, lysine, serine, threonine, aspartat, valine, histidine and cysteine, with a fluorescence "turn-on" signal. In addition, 1 displayed chiral discrimination with good enantioselectivity toward L-tryptophan over D-tryptophan through different fluorescence enhancement factors.

• Bulletin of the Korean Chemical Society
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• v.34 no.4
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• pp.1061-1064
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• 2013

A known $Hg^{2+}$ selective rhodamine B derivatised probe 1 was reinvestigated as a colorimetric and fluorescent probe for $Cu^{2+}$ through changing the applied solvent media. Probe 1 exhibited good selectivity and sensitivity to $Cu^{2+}$ in $CH_3CN-H_2O$ (7:3, v/v, HEPES 10 mM, pH 7.0) solution with a detection limit of $9.74{\times}10^{-7}$ M. The $Cu^{2+}$ sensing event was proved to be irreversible through hydrolysis of 1 to release rhodamine B.

• Bulletin of the Korean Chemical Society
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• v.33 no.11
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• pp.3696-3700
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• 2012

The colorimetric and fluorescent cyanide recognition properties of 2-[(9-ethyl-9H-carbazol-3-yl)methylene]-propanedinitrile (1) in $CH_3CN-H_2O$ (2/1, v/v, HEPES 10 mM, pH = 7.0) solution were evaluated. The optical recognition process of probe 1 exhibited high sensitivity and selectivity to cyanide ion with the detection limit of $2.04{\times}10^{-6}$ M and barely interfered by other coexisting anions. The sensing mechanism of probe 1 is speculated to undergo a nucleophilic addition of cyanide to dicyanovinyl group present in compound 1. The colorimetric and fluorescent dual-modal response to cyanide makes probe 1 has a potential utility in cyanide detection.

• Korean Journal of Food Science and Technology
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• v.45 no.2
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• pp.174-179
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• 2013

Three low-molecular compounds were isolated from methanol extracts of pear (Pyrus pyrifolia N. cv. Chuhwangbae) fruit peels using solvent fractionation, various types of column chromatogrphy (Diaion HP-20, Sephadex LH-20, and silica gel), and high performance liquid chromatography with an assay guided by 1,1-diphenyl-2-picrylhydrazyl radical-scavenging activity. The isolated compounds were identified as 2-carboxyl-4(1H)-quinolinone (kynurenic acid, 1) from butanol fraction, cis-p-coumaric acid (2) from ethyl acetate-acidic fraction, and vanillin (3) from the ethyl acetate-phenolic fraction, respectively. These isolated compounds were confirmed on the basis of the spectroscopic data of electrospray ionization mass spectrometry and nuclear magnetic resonance. This is the first time that compounds 1-3 were isolated and identified in pear.

• Food Science and Biotechnology
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• v.15 no.2
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• pp.214-219
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• 2006

A bacterial strain, initially identified as B1-3, was isolated from cheonggukjang, a traditional Korean dish made from fermented soybeans. Using the Biolog system and 16S rRNA sequence analysis, we identified B1-3 as Bacillus mojavensis. We manufactured a quickly fermented soybean (QFS) food product using the B. mojavensis, and guided by their 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical-scavenging ability. We isolated substances with antioxidative activity from it. Using mass spectrometry (MS) and nuclear magnetic resonance (NMR) techniques, we isolated 4 compounds from the ethyl acetate (EtOAc)-soluble neutral fraction of methyl alcohol (MeOH) extracts of the QFS food product (genistein, daidzein, 3R,4R-3-methyl-3,4-dihydroxy-2-pentanone, and 3S,4R-3-methyl-3,4-dihydroxy-2-pentanone) and 3 compounds from its acidic fraction (4-hydroxyphenylacetic acid, genistin, and daidzein). Two compounds from the neutral fraction (3R,4R-3-methyl-3,4-dihydroxy-2-pentanone and 3S,4R-3-methyl-3,4-dihydroxy-2-pentanone) were not detected in nonfermented soybeans (NFS) or in the filtrate of the LB broth used to culture B. mojavensis. However, they were detected in the filtrate of the same broth when it contained 2% glucose. These results suggest that these 2 compounds were derived from glucose (or other saccharides) in the soybean during fermentation. One compound that was found in the acidic fraction (4-hydroxyphenylacetic acid) was readily detected in NFS, but not in the culture broth. This suggests that 4-hydroxyphenylacetic acid was derived from NFS. We concluded that the antioxidative activity of cheonggukjang is a result of the interactions between soybean components and the microorganisms used in the fermentation of cheonggukjang.

• Bulletin of the Korean Chemical Society
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• v.35 no.5
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• pp.1391-1396
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• 2014

In the present study, ten metal free non-linear optical (NLO) compounds have been designed. These compounds have designed by structural modification of (2-cyano-5-(4-(phenyl(4-vinylphenyl)amino)phenyl) penta-2,4-dienoic acid (TC4). Density functional theory was used for structure optimization and determination of photo-physical properties. These compounds contain triphenylamine as electron-donor and cyanoacrylic acid as acceptor. Five ${\pi}$-spacers are used to connect the donor and acceptor. Two auxiliary donors are also used to assist the donor. Results of this study indicate that stronger electron-donating auxiliary groups and longer ${\pi}$-conjugation enhance NLO response. Major absorption peaks of all systems were in the visible region. These absorption peaks are associated with the ${\pi}-{\pi}^*$ transitions of the entire molecule. From calculations it is clear that all system will be good NLO material. The present calculations will provide new ways for experimentalists to synthesize high-performance NLO material.

• Journal of Integrative Natural Science
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• v.15 no.4
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• pp.171-177
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• 2022

ROS1 (c-ros oncogene) is one of the gene with mutation in NSCLC (non-small cell lung cancer). The increased expression of ROS1 is leading to the increase proliferation of cell, cell migration and survival. Crizotinib and Entrectinib are the drugs that have been approved by FDA against ROS1 protein, but recently patients started to develop resistance against Crizotinib and there is a need of new drug that could act as an effective drug against ROS1 for NSCLC. In this study, we have performed virtual screening, where compounds are taken from Zinc 15 dataset and molecular docking was performed. The top compounds were taken based upon their binding affinity and their interactions with the residues. The compounds stability and chemical reactivity was also studied through Density Functional theory and their properties. Further study of these compounds could reveal the required information of ROS1-inhibitor complex and in the discovery of potent inhibitors.

• Elastomers and Composites
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• v.57 no.4
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• pp.129-137
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• 2022

Low molecular weight liquid butadiene rubber (LqBR) is a processing aid that can resolve the migration problem of tire tread compounds. Various studies are being conducted to replace the petroleum-based processing oil with LqBR. However, the effect of the loading time of LqBR in the compounding process on silica dispersion and vulcanizate properties is not well known. In this study, we analyzed silica dispersion, vulcanizate properties, and viscoelastic properties of silica-filled tire tread compound according to the processing aid type (TDAE oil, non-functional LqBR) and, silane terminated LqBR) and input timing. In the non-functional LqBR compounds, the 'with TESPT' mixing procedure showed excellent dynamic viscoelastic properties while silane-terminated LqBR compounds showed that the 'after TESPT' mixing procedure was good for 300% modulus and abrasion resistance.

• Journal of the Korean Applied Science and Technology
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• v.41 no.2
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• pp.520-529
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• 2024

Lycium barbarum extract has a high potential to be developed as a health functional food due to the various health-promoting effects of Lycium barbarum. This study analyzed changes in nutritional and functional components depending on the extraction solvent (purified water and a mixture of purified water and alcohol) and the condition of the sample. The nutritional components (carbohydrates, protein, fat, ash), organic acids, amino acids, total phenolic compounds, and total flavonoids of the extract produced during the extraction process were analyzed. The nutritional composition and functional substances of the extracts showed some differences depending on the type of solvent and the condition of the sample. The amounts of crude protein (7.61%), crude fat (1.63%), carbohydrate (90.22%), and ash (0.54%) of dried Lycium barbarum extract using purified water as a solvent were similar to those of the powder sample extract. The highest content of citric acid was 4.31 mg/mL, similar to the case of acetic acid, when the powder sample used a mixture of purified water and alcohol as a solvent. The highest amino acid content was 357.39 mg/mL when the powder sample was mixed with purified water and alcohol as a solvent. The total amount of phenolic compounds was 686.16 g/L when the powder sample was extracted with a mixture of purified water and alcohol as a solvent. The highest total flavonoid content was 111.32 g/L when the powder sample was extracted with a mixture of purified water and alcohol as a solvent.

• Proceeding of EDISON Challenge
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• 2017.03a
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• pp.11-15
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• 2017

We present a study of transition metal compounds using density functional theory (DFT), and density-corrected density functional theory(DC-DFT). By replacing the self-consistent density with that obtained from Hartree-Fock calculation, i.e., HF-DFT, the abnormality driven by self-interaction error is removed in several important cases. We discuss when and how HF-DFT works by examining 3d orbital dimers using approximate functionals and by comparing the results from self-consistent-DFT and HF-DFT with experimental values.