• Bulletin of the Korean Chemical Society
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• 제32권9호
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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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• 제34권4호
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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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• 제33권11호
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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.

• 한국식품과학회지
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• 제45권2호
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• pp.174-179
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• 2013

본 연구에서는 동양배에 함유된 유용성분을 분자수준에서 밝히고자, 우리나라에서 가장 많이 섭취되고 있는 품종 중의 하나인 추황배를 대상으로 배 과피의 MeOH 추출물을 해리성을 이용하여 용매분획하였다. 얻어진 획분들을 대상으로 항산화 활성에 초점을 맞추어 open column chromatography와 high performance liquid chromatography를 행하여 3종의 항산화 화합물을 단리하였다, 그 결과, BuOH 획분으로부터 화합물 1을, EtOAc-산성 획분으로부터 화합물 2를, 그리고 EtOAc-페놀성 획분으로부터 화합물 3을 단리하고, 각각 NMR 및 MS 분석을 행하여 구조해석을 행하였다. 그 결과, 화합물 1-3은 각각 2-carboxyl 4(1H)-quinolinone (kynurenic acid, 화합물 1), cis-coumaric acid (화합물 2), 그리고 vanillin(화합물 3)으로 동정되었다. 이 3종의 화합물 모두 본 연구에 의해 배로부터 처음 동정되었다. 본 연구결과가 배의 유용성 및 기능성 연구를 위한 기초자료로 활용되길 기대한다.

• Food Science and Biotechnology
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• 제15권2호
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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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• 제35권5호
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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.

• 통합자연과학논문집
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• 제15권4호
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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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• 제57권4호
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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.

• EDISON SW 활용 경진대회 논문집
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• 제6회(2017년)
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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.

• Preventive Nutrition and Food Science
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• 제21권1호
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• pp.1-8
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• 2016

Increasing knowledge on the link between diet and human health has generated a lot of interest in the development of functional foods. However, several challenges, including discovering of beneficial compounds, establishing optimal intake levels, and developing adequate food delivering matrix and product formulations, need to be addressed. A number of new processes and materials derived from nanotechnology have the potential to provide new solutions in many of these fronts. Nanotechnology is concerned with the manipulation of materials at the atomic and molecular scales to create structures that are less than 100 nm in size in one dimension. By carefully choosing the molecular components, it seems possible to design particles with different surface properties. Several food-based nanodelivery vehicles, such as protein-polysaccharide coacervates, multiple emulsions, liposomes and cochleates have been developed on a laboratory scale, but there have been very limited applications in real food systems. There are also public concerns about potential negative effects of nanotechnology-based delivery systems on human health. This paper provides an overview of the new opportunities and challenges for nanotechnology-based systems in future functional food development.