• Nuclear Engineering and Technology
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• v.51 no.5
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• pp.1373-1380
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• 2019

Besides promising implications as fertile nuclear materials, thorium carbonitrides are of great interest owing to their peculiar physical and chemical properties, such as high density, high melting point, good thermal conductivity. This paper reports first-principles simulation results on the structural, electronic and magnetic properties of cubic thorium carbonitrides $ThC_xN_{(1-x)}$ (X = 0.03125, 0.0625, 0.09375, 0.125, 0.15625) employing formalism of density-functional-theory. For the simulation of physical properties, we incorporated full-potential linearized augmented plane-wave (FPLAPW) method while the exchange-correlation potential terms in Kohn-Sham Equation (KSE) are treated within Generalized-Gradient-Approximation (GGA) in conjunction with Perdew-Bruke-Ernzerhof (PBE) correction. The structural parameters were calculated by fitting total energy into the Murnaghan's equation of state. The lattice constants, bulk moduli, total energy, electronic band structure and spin magnetic moments of the compounds show dependence on the C/N concentration ratio. The electronic and magnetic properties have revealed non-magnetic but metallic character of the compounds. The main contribution to density of states at the Fermi level stems from the comparable spectral intensity of Th (6d+5f) and (C+N) 2p states. In comparison with spin magnetic moments of ThSb and ThBi calculated earlier with LDA+U approach, we observed an enhancement in the spin magnetic moments after carbon-doping into ThN monopnictide.

• Korean Journal of Medicinal Crop Science
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• v.28 no.6
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• pp.428-434
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• 2020

Background: This study aimed to investigate the quality characteristics of Astragalus membranaceus Bunge leaf (AMBL) fermented with lactic acid bacteria and the applicability of its biologically active compounds. Methods and Results: An assessment of physicochemical properties such as pH, total acidity, free sugars, and isoflavonoid (calycosin-7-o-β-d-glucoside, ononin, calycosin, and formononetin) was conducted. Furthermore, the levels of antioxidant compounds, including polyphenols and flavonoids, and radical scavenging activities of the extracts using 2,2-Diphenyl-1-picryl-hydrazyl-hydrate and 2,2-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) were investigated. The calycosin content in the water extract of AMBL fermented with Leuconostoc mesenteroides increased by approximately twice as much as the control. Conclusions: These results indicate that L. mesenteroides can be used to improve biological activity through fermentation, and that AMBL can be used as a functional materials and edible resource in industrial areas.

• Biomolecules & Therapeutics
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• v.31 no.2
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• pp.176-182
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• 2023

Among 14 subtypes of serotonin receptors (5-HTRs), 5-HT_2AR plays important roles in drug addiction and various psychiatric disorders. Agonists for 5-HT_2AR have been classified into three structural groups: phenethylamines, tryptamines, and ergolines. In this study, the structure-activity relationship (SAR) of phenethylamine and tryptamine derivatives for binding 5-HT_2AR was determined. In addition, functional and regulatory evaluation of selected compounds was conducted for extracellular signal-regulated kinases (ERKs) and receptor endocytosis. SAR studies showed that phenethylamines possessed higher affinity to 5-HT_2AR than tryptamines. In phenethylamines, two phenyl groups were attached to the carbon and nitrogen (R³ ) atoms of ethylamine, the backbone of phenethylamines. Alkyl or halogen groups on the phenyl ring attached to the β carbon exerted positive effects on the binding affinity when they were at para positions. Oxygen-containing groups attached to R³ exerted mixed influences depending on the position of their attachment. In tryptamine derivatives, tryptamine group was attached to the β carbon of ethylamine, and ally groups were attached to the nitrogen atom. Oxygen-containing substituents on large ring and alkyl substituents on the small ring of tryptamine groups exerted positive and negative influence on the affinity for 5-HT_2AR, respectively. Ally groups attached to the nitrogen atom of ethylamine exerted negative influences. Functional and regulatory activities of the tested compounds correlated with their affinity for 5-HT_2AR, suggesting their agonistic nature. In conclusion, this study provides information for designing novel ligands for 5-HT_2AR, which can be used to control psychiatric disorders and drug abuse.

• Journal of Korean Medicine for Obesity Research
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• v.23 no.1
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• pp.10-17
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• 2023

Objectives: The aim of this study was to compare the total phenolic content of Korean Acanthopanax senticosus stems harvested in different seasons and provide basic data for developing functional reinforcement products based on the optimal harvesting time. Methods: Each sample harvested in different seasons was extracted and concentrated twice for 2 hours using 70% ethyl alcohol. Phenolic compounds were analyzed using high-performance liquid chromatography for simultaneous multi-component analysis of 14 compounds, including syringaresinol and so on. Results: The results showed that the stem of Korean Acanthopanax senticosus harvested in winter (November 29th) (EAS-5) had the highest phenolic content of 1.038%. The stem of Korean Acanthopanax senticosus harvested in autumn (October 1st) (EAS-4) showed the second-highest phenolic content of 0.764%, followed by the stem of Korean Acanthopanax senticosus harvested in spring (February 2nd) (EAS-1) with a content of 0.390%. On the other hand, the stem of Korean Acanthopanax senticosus harvested in the summer (June 2nd) (EAS-3) showed the lowest content at 0.342%. In conclusion, the stem of Korean Acanthopanax senticosus harvested in winter (EAS-5) showed the highest phenolic compound content. Conclusions: Considering the extraction yield and the total phenolic content, as well as the concentrations of key functional components such as eleutheroside B, chlorogenic acid, and syringaresinol in the 70% ethyl alcohol extract of Korean Acanthopanax senticosus, it is suggested that the stems of Korean Acanthopanax senticosus harvested during the winter season are suitable for the development of novel materials with enhanced anti-obesity functionality.

• The Korea Journal of Herbology
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• v.38 no.6
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• pp.73-91
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• 2023

Objectives : This study used a network pharmacology approach to elucidate the efficacy and molecular mechanisms of Daehwangmokdanpitang (DHMDPT) on Psoriasis. Methods : Using OASIS databases and PubChem database, compounds of DHMDPT and their target genes were collected. The putative target genes of DHMDPT and known target genes of psoriasis were compared and found the correlation. Then, the network was constructed using Cytoscape 3.10.1. The key target genes were screened by Analyzer network and their functional enrichment analysis was conducted based on the Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) Pathways to predict the mechanisms. Results : The result showed that total 30 compounds and 439 related genes were gathered from DHMDPT. 264 genes were interacted with psoriasis gene set, suggesting that the effects of DHMDPT are closely related to psoriasis. Based on GO enrichment analysis and KEGG pathways, 'Binding', 'Cytokine Activity', 'Receptor Ligand Activity' 'HIF-1 signaling pathway', 'IL-17 signaling pathway', 'Toll-like receptor signaling pathway', and 'TNF signaling pathway' were predicted as functional pathways of 16 key target genes of DHMDPT on psoriasis. Among the target genes, IL6, IL1B, TNF, AKT1 showed high correlation with the results of KEGG pathways. Additionally, Emodin, Acetovanillone, Gallic acid, and Ferulic acid showed a high relevance with key genes and their mechanisms. Conclusion : Through a network pharmacological method, DHMDPT was predicted to have high relevance with psoriasis. This study could be used as a basis for studying therapeutic effects of DHMDPT on psoriasis.

• The Korea Journal of Herbology
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• v.39 no.3
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• pp.37-47
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• 2024

Objectives : Because predicting the potential efficacy and mechanisms of Korean medicines is challenging due to their high complexity, employing an approach based on network pharmacology could be effective. In this study, network pharmacological analysis was utilized to anticipate the effects of YunPye-Hwan (YPH) in treating Chronic obstructive pulmonary disease (COPD). Methods : Compounds and their related target genes of YPH were gathered from the TCMSP and PubChem databases. These target genes of YPH were subsequently compared with gene sets associated with COPD to assess correlation. Next, core genes were identified through a two-step screening process, and finally, functional enrichment analysis of these core genes was conducted using both Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) Pathways. Results : A total of 15 compounds and 437 target genes were gathered, resulting in a network comprising 473 nodes and 14,137 edges. Among them, 276 genes overlapped with gene sets associated with COPD, indicating a significant correlation between YPH and COPD. Functional enrichment analysis of the 18 core genes revealed biological processes and pathways such as "miRNA Transcription," "Nucleic Acid-Templated Transcription," "DNA-binding Transcription Factor Activity," "MAPK signaling pathway," and "TNF signaling pathway" were implicated. Conclusion : YPH exhibited significant relevance to COPD by modulating cell proliferation, differentiation, inflammation, and cell death pathways. This study could serve as a foundational framework for further research investigating the potential use of YPH in the treatment of COPD.

• Journal of the Korean Society of Food Science and Nutrition
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• v.34 no.4
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• pp.513-518
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• 2005

Volatile compounds of $\gamma-irradiation$ leeks (Aillum tuberosum R.) were isolated by simultaneous steam distillation and extraction method (SDE) and analyzed by gas chromatography/mass spectrometry (GC/MS) along with the non-irradiated sample. Leeks were irradiated at dose of 20 kGy and non-irradiated samples were considered as control sample. 56 and 54 compounds were identified in non-irradiated and irradiated samples, respectively. These components included the functional groups; alcohols, aldehydes, esters, ketones, N- and S-containing compounds. S-containing compounds such as dimethyl trisulfide, methyl-(Z)-l-proenyl trisulfide, dimethyl disulfide, 3-ethyl-l,2-dithi-5-ene and methyl allyl disulfide were the major compounds. Methyl-(Z)-l-propenyl trisulfide, diallyl trisulfide, (E)-2-hexanal and 3-ethyl-l,2-dithi-5-ene were clearly decreased by the $\gamma-irradiation$, but dimethyl disulfide, diallyl sulfide, allyl methyl sulfide and pyridine were increased by the $\gamma-irradiation$.

• Journal of Life Science
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• v.28 no.12
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• pp.1523-1528
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• 2018

This study investigated the chemical composition of four Korean cultivated Chrysanthemum indicum L. (Gamguk 1 ho, Gamguk 2 ho, Gamguk 3 ho, and Wonhyang) which are used in the food and fragrance industries to identify their volatile flavor compounds. These compounds were analyzed using headspace GC-MS from plant samples cultivated in the same region of Korea (Sancheong-gun, Gyeongsangnam-do). A total of 23 compounds were identified, eight of which were common across the four cultivars. The major flavor components in the three Gamguk plants were identified as 3-carene, camphene, ${\beta}$-phellandrene, eucalyptol and (+)-camphor. Eleven compounds, including (+)-camphor at 31.40%, were identified in Gamguk 1 ho. Gamguk 2 ho was found to contain 12 flavor compounds, predominant of which was camphene at 25.60%. Thirteen compounds including (+)-camphor (26.88%) were identified in Gamguk 3 ho, while 17 were detected in the Wonhyang cultivar, including trans-piperitol (47.33%), sabinene, and ${\gamma}$-terpinyl acetate. These results indicate differences in the type and ratio of functional volatile flavor ingredients in Chrysanthemum indicum L. cultivars which is highly valuable as material for fragrance product development.

• Journal of Applied Biological Chemistry
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• v.65 no.3
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• pp.215-219
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• 2022

The flowers of Cosmos bipinnatus were extracted with solvent made with methanol:water (4:1) and the concentrates were partitioned into ethyl acetate (EtOAc), n-butanol (n-BuOH), and water (H₂O) fractions. The octadecyl silica gel (ODS) and silica gel (SiO₂) column chromatographies were repeated for the EtOAc fraction to isolated of two phenolic compounds. The chemical structure of the isolated compounds were identified as benzyl O-β-ᴅ-glucopyranoside (1), and 2-phenylethyl O-β-ᴅ-glucopyranoside (2) through spectroscopic datas such as nuclear magnetic resornance, infrarad spectroscopy, and mass spectroscopy. These two compounds were first isolated from C. bipinnatus flowers through this study. To evaluate the anti-atopic activity of the two isolated compounds using a HaCaT cell line induced by ultraviolet light, several experiments were conducted and neither both compounds showed toxicity in the concentration range of 1 to 1,000 ㎍/mL. In the results of anti-atopic activity through Thymus and activation regualted chemokine (TARC) assay, both compounds showed dose-dependent TARC inhibitory activity. In particular, compound 1 showed significant activity even in a low concentration range of 10 ㎍/mL, and in different concentration ranges. Also compound 1 showed higher inhibitory activity than other compound, confirming that the anti-atopic activity was the most excellent. Based on these results, it is considered that it can be used as a functional cosmetic material.

• Analytical Science and Technology
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• v.20 no.5
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• pp.361-369
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• 2007

Uncomfortable odor emitted from air conditioning system is the main cause of indoor air quality deterioration. To solve evaporator odor problems, odor active compounds, have to be identified then the quality of the product can be improved its quality. Because evaporator odor in exhaust gas has low odor intensity and discontinuity, it is very difficult to collect and analyze sample. In this study through the identification of odor compounds in condensed water, the evaluation of the eraporator was tested. Odor compounds were extracted from water by headspace-solid-phase microextraction (HS-SPME) method. The single odor was separated by GC/FID/Olfactometry (GC/FID/O) and odor active compounds were identified by GC/AED and GC/MS. Compared to air sample, result of sensory evaluation and the single odor compound appeared similarly. It was identified that odor active compounds have functional group containing oxygen such as alcohols and acids. Evaluation method of odor active compounds using condensed water in evaporator appeared effective on the side of simplicity of collection, low expanse and rapid analysis.