• Journal of Korea Soil Environment Society
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• v.4 no.3
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• pp.85-93
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• 1999

The destruction of hazardous chemicals such as chlorinated organic compounds(COCs) and nitroaromatic compounds(NACs) by zero-valent iron powder is one of the latest innovative technologies. In this paper. the rapid dechlorination of chlorinated compounds as well as transformation of nitro functional group to amine functional group in the nitroaromatic compounds using synthesized zero-valent iron powder with nanoscale were studied in anaerobic batch system. Nanoscale iron, characterized by high surface area to mass ratios(31.4$\textrm{m}^2$/g) and high reactivity, could quickly reacts with compounds such as TCE, chloroform, nitrobenzene, nitrotoluene, dinitrobenzene and dinitrotoluene, at concentration of 10mg/L in aqueous solution at room temperature and pressure. In this study, the TCE was dechlorinated to ethane and chloroform to methane and nitro groups in NACs were transformed to amino groups in less than 30min. These results indicated that this chemical method using nanoscale iron powder has the high potential for the remediation of soils and groundwater contaminated with hazardous toxic chemicals including chlorinated organic compounds and nitro aromatic compounds.

• Journal of the Korean Chemical Society
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• v.21 no.2
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• pp.108-120
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• 1977

The approximate rates and stoichiometries of the reaction of lithium borohydride, with fifty two selected organic compounds containing representative functional groups under the standard condition (tetrahydrofuran, $0^{\circ}$), were studied.Among the active hydrogen compounds,primary alcohols and compounds containing an acidic proton liberated hydrogen relatively fast, but secondary and tertiary alcohols very sluggishly. All the carbonyl compounds examined were reduced rapidly within one hour. Especially, among the ${\alpha}{\beta}$-unsaturated carbonyl compounds tested, the aldehydes consumed one hydride cleanly, however the cyclic ketones consumed more than one hydride even at $-20^{\circ}$. Carboxylic acids were reduced very slowly, showing about 60% reduction in 6 days at $25^{\circ}$, however acyl chlorides reduced immediately within 30 minutes. On the other hand, the reductions of cyclic anhydrides proceeded moderately to the hydroxy acid stage, however the further reductions were very slow. Aromatic and aliphatic esters, with exception of the relatively moderate reduction of acetate, were reduced very slowly, however lactones were reduced at a moderate rate. Epoxides reacted slowly, but amides and nitriles as well as the nitro compounds were all inert to this reagent. And cyclohexanone oxime and phenyl isocyanate were reduced very sluggishly. Last of all, all sulfur compounds studied were inert to this hydride.

• Food Science and Biotechnology
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• v.16 no.1
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• pp.116-122
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• 2007

Four compounds with antioxidant activity were isolated from the MeOH extract of peanut shells (pod) and identified as 5,7-dihydroxychromone (1), eriodictyol (2), 3',4',7-trihydroxyflavanone (3), and luteolin (4) by electron impact-mass spectrometry (EI-MS) and nuclear magnetic resonance (NMR) analyses. The relationship between antioxidant activity and chemical structure of the isolated compounds with their analogues [(-)-epicatechin, quercetin, taxifolin] was examined by measuring 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical-scavenging activity and using the 2-deoxy-D-ribose degradation system. The order of antioxidant activity on the basis of DPPH radical-scavenging was quercetin = (-)-epicatechin (6.0 molecules) > taxifolin (4,5 molecules) > 4 (luteolin; 4.0 molecules) > 2 (eriodictyol; 2.5 molecules) > 3 (3',4',7-trihydroxy-flavanone; 2.0 molecules) > 1 (5,7-dihydroxychromone; 0.5 molecules). On the other hand, using the 2-deoxy-D-ribose degradation system, the order of antioxidant activity was quercetin > 4 >> (-)-epicatechin ${\geq}\;2\;{\geq}$ taxifolin > 3 > 1. These compounds from peanut shells may provide defensive measures against oxidative stress and insects in the soil.

• Bulletin of the Korean Chemical Society
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• v.32 no.4
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• pp.1231-1236
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• 2011

Chiral discrimination is the ability to distinguish one enantiomeric form over another. The differential binding interaction between two molecules with the same helicity and those with the opposite helicity was investigated by using dispersion-corrected density functional theory. [5]helicene, tetrahydro[5]helicene and the polar D-${\pi}$-A compounds, 3,12-dimethoxy-7,8-dicyano-[5]helicene and 3,12-dimethoxy-7,8-dicyano-tetrahydro[5]helicene were the monomers considered in this study. In gas phase, the dimeric interaction from two helical molecules with the opposite handedness is greater than from those with the same handedness. The stable configurations of such dimers were identified. The most stable configuration tends to be the one with maximum contact between monomers.

• Journal of Industrial and Engineering Chemistry
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• v.68
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• pp.282-292
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• 2018

This study aimed to compare the chemical composition of Morus nigra leaves extracts, obtained by maceration, accelerated solvent (ASE) and supercritical fluid extraction (SFE) under different extraction conditions. With regards to chemical composition, mainly phenolic acids and flavonoids were identified. HPLC-ESI-QTOF-MS allowed the identification of 13 new compounds reported in M. nigra leaves for the first time. ASE as a fast, green and innovative approach, seems to be the best choice for extracting compounds of different polarities within the shortest extraction time. The present study also highlights the potential application of M. nigra extracts as constituents of new added-value formulations.

• Food Science and Industry
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• v.45 no.1
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• pp.60-69
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• 2012

• Journal of Integrative Natural Science
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• v.16 no.2
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• pp.53-59
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• 2023

Lavender oil is a prolonged history in ancient medicine and has a wide range of biological effects. The lavender essential oil has 50 different constituents that have different therapeutic significance. The compounds that are separated from essential oil can be used for the anticancer treatment of non-small cell lung cancer. ROS1 is one of the major targets for NSCLC. The compounds from lavender essential oil are separated through GC-MS. From 91 compounds the top compounds that are having high retention values are taken for Molecular docking study against the ROS1 target protein. The binding affinity and the docked pose for those compounds are studied. Later, the chemical reactivity of the compounds is studied by Density Functional Theory. The potent compounds must be validated by in vivo study.

• Horticultural Science & Technology
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• v.32 no.4
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• pp.558-570
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• 2014

This study was conducted to compare the volatile flavor compounds found in the leaves of 15 taxa of Korean native Chrysanthemum species. The volatile flavor compounds from the taxa were collected using a simultaneous steam distillation and extraction technique and were analyzed using gas chromatography/mass selective detector (GC/MSD). A total of 45 volatile flavor compounds were identified with six functional groups: 14 alcohols, 4 ketones, 19 hydrocarbons, 5 esters, 2 acids, and 1 aldehyde. The main functional group in 15 taxa of Chrysanthemum species was alcohols, accounting for 28.7% of volatile flavor compounds, followed by ketones (21.2%) and hydrocarbons (13.2%). Camphor, which is known for its antimicrobial properties, was the most abundant volatile compound (30%) in C. zawadskii ssp. latilobum and var. leiophyllum. In particular, C. indicum subspecies and C. boreale contained ${\alpha}$-thujone, which has outstanding anti-bacterial, anti-cancer, anti-inflammatory, anti-ulcer, and anti-diabetic efficacies. C. indicum var. albescens could be used in perfumes, since it showed 21 times more camphene than C. indicum. In addition, C. indicum var. acuta contained a fairly high content of 1,8-cineole, which has an inhibitory effect on mutagenesis. C. lineare contained only pentadecanoic acid compounds, whereas other taxa hexadecanoic acids. Overall, the Korean native Chrysanthemum species had considerable variation in volatile flavor compounds in their leaves. This study provides a good indication of specific potential use for various applications.

• Biomolecules & Therapeutics
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• v.31 no.1
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• pp.108-115
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• 2023

Numerous psychotropic and addictive substances possess structural features similar to those of β-phenethylamine (β-PEA). In this study, we selected 29 β-PEA derivatives and determined their structure-activity relationship (SAR) to their ability to inhibit dopamine (DA) reuptake; conducted docking simulation for two selected compounds; and identified their potential functionals. The compounds were subdivided into arylethylamines, 2-(alkyl amino)-1-arylalkan-1-one derivatives and alkyl 2-phenyl-2-(piperidin-2-yl)acetate derivatives. An aromatic group, alkyl group, and alkylamine derivative were attached to the arylethylamine and 2-(alkyl amino)-1-arylalkan-1-one derivatives. The inhibitory effect of the compounds on dopamine reuptake increased in the order of the compounds substituted with phenyl, thiophenyl, and substituted phenyl groups in the aromatic position; compounds with longer alkyl groups and smaller ring-sized compounds at the alkylamine position showed stronger inhibitory activities. Docking simulation conducted for two compounds, 9 and 28, showed that the (S)-form of compound 9 was more stable than the (R)-form, with a good fit into the binding site covered by helices 1, 3, and 6 of human dopamine transporter (hDAT). In contrast, the (R, S)-configuration of compound 28 was more stable than that of other isomers and was firmly placed in the binding pocket of DAT bound to DA. DA-induced endocytosis of dopamine D₂ receptors was inhibited when they were co-expressed with DAT, which lowered extracellular DA levels, and uninhibited when they were pretreated with compound 9 or 28. In summary, this study revealed critical structural features responsible for the inhibition of DA reuptake and the functional role of DA reuptake inhibitors in regulating D₂ receptor function.

• Food Science and Biotechnology
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• v.16 no.3
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• pp.349-354
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• 2007

The objectives of this study were to systemically identify phenolic compounds in roasted wild ginseng (Panax ginseng C.A. Meyer) leaves and investigate their radical scavenging activities. Seven phenolic compounds were identified by NMR (H, C, COSY, HMQC, HMBC) and mass (EI-MS, FAB-MS) analyses: 5-caffeoylquinic acid, kaempferol, quercetin, 3,4-dihydroxy-benzoic acid, 4-hydroxy-benzoic acid, 3-(3,4-dihydroxyphenyl)-2-propenoic acid, and 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid. Their concentrations ranged from 0.4 (3,4-dihydroxy-benzoic acid) to 7.5 mg (kaempferol) per 100 g of roasted leaves. Among these compounds, 5-caffeoylquinic acid, kaempferol, and quercetin were found exclusively in the leaf portions of the ginseng plants. When their antioxidant activities were measured by DPPH and superoxide anion radical scavenging activity, quercetin, and kaempferol were most effective.