• 한국토양환경학회지
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• 제4권3호
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• pp.85-93
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• 1999

유기 염소계 화합물과 니트로기 방향족 화합물 같은 난분해성 유해물질을 처리함에 있어, 0가 철 분말의 사용은 최근에 가장 활발히 논의되고 있는 기술 가운데 하나이다. 본 연구에서는 나노크기의 0가 철 분말을 실험실에서 만들어 유기 염소계 화합물의 탈염소화 반응과 니트로기 방향족 화합물의 니트로기 변환실험을 혐기성 회분식 반응조에서 실시하였다. 매우 큰 비표면적과 높은 반응성을 가지고 있는 나노크기 0가 철 입자는 10mg/$\ell$로 농도수용액상에 존재하는 TCE, 클로로포름, 니트로 벤젠, 니트로 톨루엔, 디니트로 밴젠, 디니트로 톨루엔등의 물질을 상온.상압의 조건에서 빨리 제거할 수 있었다. 본 연구에서는 반응 시간 30분 안에 TCE는 에탄으로, 클로로포름은 메탄으로 탈염소화 되었고, 니트로기 방향족 화합물의 니트로기는 모두 아민기로 변환되었다. 이러한 결과들은 유기 염소계 화합물과 니트로기 방향족 화합물 같은 난분해성 유해물질로 오염된 지하수나토양을 복원함에 있어, 나노크기의 0가 철 분말을 이용한 화학적 처리기술의 잠재성을 나타내주는 것이다.

• 대한화학회지
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• 제21권2호
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• pp.108-120
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• 1977

수소화붕소리튬-테트라히드로푸란용액의 환원특성에 대한 계통적인 연구가 52가지의 대표적인 작용기를 가진 유기화합물을 가지고 표준조건($0^{\circ}$, 테트라히드로 푸란)에서 대략의 반응속도 및 정량 관계를 알아봄으로서 이루어 졌다.

• Food Science and Biotechnology
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• 제16권1호
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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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• 제32권4호
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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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• 제68권
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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.

• 식품과학과 산업
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• 제45권1호
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• pp.60-69
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• 2012

• 통합자연과학논문집
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• 제16권2호
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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.

• 원예과학기술지
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• 제32권4호
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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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• 제31권1호
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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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• 제16권3호
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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.