• Title/Summary/Keyword: compound analysis

Search Result 2,499, Processing Time 0.031 seconds

HQSAR Analysis on Novel series of 1-(4-Phenylpiperazin-1-yl-2-(1H-Pyrazol-1-yl) Ethanone Derivatives Targeting CCR1

  • Balasubramanian, Pavithra K.;Cho, Seung Joo
    • Journal of Integrative Natural Science
    • /
    • v.6 no.3
    • /
    • pp.163-169
    • /
    • 2013
  • The chemokine receptor CCR1 a GPCR super family protein contains seven transmembrane domains. It plays an important role in rheumatoid arthritis, organ transplant rejection, Alzheimer's disease and also causes inflammation. Because of its role in disease processes, antagonism of CCR1 became an attractive therapeutic target. In the current study, we have taken a novel series of recently reported CCR1 antagonist of 1-(4-Phenylpiperazin-1-yl_-2-(1H-Pyrazol-1-yl) ethanone derivatives and performed a HQSAR analysis. The model was developed with Atom (A) and bond (B) parameters and with different set of atom counts to improve the model. The results of HQSAR showed good predictive ability in terms of $r^2$ (0.904) and $q^2$ (0.590) with 0.710 as standard error of prediction and 0.344 as standard error of estimate. The contribution map depicted the atom contribution in inhibitory effect. Compound-14 which was reported to be a highly active compound showed positive atom contribution in three R groups ($R^3$. $R^{5a}$ and $R^{2b}$) in inhibitory effect, which could be the reason why this compound is highly active compound whereas, the lowest active compound-6 showed negative contribution to inhibitory effect.

Compound K Activates Hyaluronan Synthase 2 in transformed human Keratinocytes and Fibroblasts and Increases hyaluronan in hairless mouse skin

  • Kim, Su-Jong;Kang, Byung-Yang;Cho, Si-Yang;Sung, Dae-Suk;Shin, Eiu-Suk;Chang, Hui-Kyung;Yeom, Myung-Hun;Woo, Kwang-Sik;Kim, Duk-Hee;Sim, Young-Chul;Lee, Yong-Sung
    • Proceedings of the SCSK Conference
    • /
    • 2003.09a
    • /
    • pp.741-762
    • /
    • 2003
  • Ginsenosides, the major active ingredients of ginseng, show a variety of biomedical efficacies such as anti-aging, anti oxidation and anti-inflammatory activities. To understand the effects of compound K (20-O-D-glucopyranosyl-20 (S)-protopanaxadiol), one of the major metabolite of ginsenosides on the skin, we assessed the expression level of ∼ 100 transcripts in compound K-treated HaCaT cells using cDNA microarray analysis. Compound K treatment induced differential expression of 21 genes, which have been reported to be involved in the organization of ECM structure as well as defense responses in human skin cells. One of the most interesting findings is 2-fold increase in hyaluronan synthase2 (HAS2) gene expression by compound K. We found that change in expression of HAS2 gene represents a specific response of HaCaT cells to compound K because hyaluronan synthase 1, 3 was not changed by treatment with compound K. We also demonstrated that the compound K effectively induced hyaluronan synthesis in human skin cells and hairless mouse skin. The human clinical study indicates that topical application of compound K-containing oil-in-water emulsion showed improvement of xerosis, wrinkle and fine lines in the aged skin. We concluded that compound K has anti-aging effects by the induction of HAS2 gene expression and following hyaluronan synthase.

  • PDF

Analysis of Beauvericin and Unusual Enniatins Co-Produced by Fusarium oxysporum FB1501 (KFCC 11363P)

  • Song Hyuk-Hwan;Ahn Joong-Hoon;Lim Yoong-Ho;Lee Chan
    • Journal of Microbiology and Biotechnology
    • /
    • v.16 no.7
    • /
    • pp.1111-1119
    • /
    • 2006
  • Beauvericins and enniatins are cyclohexadepsipeptides exhibiting various biological activities on animal systems, including humans. Fusarium oxysporum FB1501 (KFCC 11363P) that produces four different cyclohexadepsipeptides was isolated from soil in Korea and the structures of the four cyclohexadepsipeptides elucidated by HPLC, MS, IR, and NMR analyses. The molecular weights for compounds 1,2,3, and 4 were determined to be 654.5, 784.5, 668.6, and 682.5, respectively, on the basis of ESI-MS measurements. The IR spectra for all the compounds exhibited absorptions for ester $(1,733-1,743\;cm^{-1})$ and amide $(1,649-1,655\;cm^{-1})$ bonds that were very similar to those for beauvericin and enniatins with ester and amide absorptions. The results of the NMR analysis $(^{1}H,\;^{13}C,\;135-DEPT,\;COSY,\;HMQC,\;and\;HMBC;\;in\;COCl_{3})$ revealed that compounds 1,3, and 4 consisted of $_{L}-N-methyl\;valine$ (N-MeVal), $_{D}-{\alpha}-hydroxyisovaleic\;acid$ (Hiv), and 2-hydroxy-3-methylpentanoic acid (Hmp) residues (compound 1: three N-MeVal residues, two Hiv residues, and one Hmp residue; compound 3: three N-MeVal residues, one Hiv, and two Hmp residues; compound 4: three N-MeVal residues and three Hmp residues). Therefore, the compounds were identified as enniatin H (compound 1), enniatin I (compound 3), and enniatin MK1688 (compound 4). Compound 2 was analyzed as beauvericin according to 1D and 2D NMR analyses. This study is the first report related to the co-production of beauvericin with other unusual enniatins, such as enniatin H, enniatin I, and enniatin MK1688, by Fusarium oxysporum.

A Study on the Analysis of Isothiazolinone Components by High Performance Liquid Chromatography (고성능액체크로마토그래피에 의한 Isothiazolinone Components의 분석에 관한 연구)

  • 김종규;이덕희
    • Journal of Environmental Health Sciences
    • /
    • v.18 no.2
    • /
    • pp.102-105
    • /
    • 1992
  • Introduction : Isothiazolinone product is one of new preservatives used in cooling tower, paper mill, and general industrial waters.l) It is also effective in controlling bacteria and fungi in the manufacture and storage of dispersed pigments, such as kaolin clays, titanium dioxide, calcium carbonate and others\ulcorner Its broad-spectrum activity, excellent physical and chemical compatibility with anionic, nonionic and cationic surfactants and most organic and inorganic compounds and low toxicity at recommended use levels provide formulators with an effective, economical, and environmentally acceptable alternative to other commercial biocides. It dose not contain or generate formaldehyde and is easy to formulate (1.5% solution is supplied as an aqueous solution), so that it gains advantage over the other preservatives. The active ingredients of the isothiazolinone product are unchlorinated compound (2-methyl-4-isothiazolin-3-one) and chlorinated one (5-chloro-2-methyl-4-isothiazolin-3-one). Methods preferred for the analysis of preservatives are chromatographic methods, especially high performance liquid chromatograph (HPLC). Although several methods were satisfactory in respect to separation, no offical method has been published for the isothiazolinone components. This study was performed to search for an alternative method in order to show flexible operating conditions of HPLC and to reduce assay time.

  • PDF

Flavonoidal constituent in Korean Lactuca dentata Makino (한국산 씀바귀의 Flavonoid 성분에 관한 연구)

  • Chung, Kang-Hyun;Yoon, Kwang-Ro;Kim, Jun-Pyong
    • Journal of the Korean Society of Food Culture
    • /
    • v.9 no.2
    • /
    • pp.131-136
    • /
    • 1994
  • The ethylacetate extract of Lactuca dentata Makino showed 6 flavonoidal components as detected by ferric chloride solution. The flavonoidal constituent of Lactuca dentata Makino was isolated and purified by the series of column chromatography. The chemical structure of one of the flavonoidal component named as compound E was identified by UV, IR and NMR spectrometry. The melting point range of compound E was $249.5^{\circ}C-251^{\circ}C$. The UV and IR spectra of purified compound E, and its genin were measured with the various shifting agents. The results of UV analysis showed the free state of hydroxy group at 3rd and 4th carbon and binding of sugar at the 7th carbon of compound. The sugar bound to the compound E was identified as glucose by TLC. The IR spectrum showed the presense of hydroxy group, conjugated carbonyl group and aromatic group. The analysis of NMR spectrum was done to the purified compound and its derivatives. The chemical shifts against hydrogen atom, hydroxy group, and the moiety of luteolin were observed in the NMR spectrum along with their position and number as well as type of sugar bound. The isolated and purified compound was identified as $luteolin-7-0-{\beta}-D-glucoside$.

  • PDF

Analysis of the Level of Cognitive Demands about Concepts of Ionic Compounds and Molecule on Science 2 Textbooks in Junior High School (II) (중학교 과학2 교과서에 서술된 이온 결합 화합물과 분자 내용이 요구하는 인지 수준 분석(제II보))

  • Kang, Soonhee;Bang, Dami;Kim, Sun-Jung
    • Journal of the Korean Chemical Society
    • /
    • v.56 no.6
    • /
    • pp.739-750
    • /
    • 2012
  • The purpose of this study is to analyze the cognitive demands level of the description about 'pure substance and mixture compound', 'ionic compound', 'molecule' on the 'science2' textbooks by the 2007 revised curriculum. The three types of Curriculum Analysis Taxonomy have been used to analyze the cognitive demands level of those contents on the 6 kinds of 'science2' textbooks. The first, the cognitive demand level about 'pure substance and mixture compound' on many textbooks is a late concrete operational stage because of class inclusion and hierarchical classification. And the descriptions as 'pure substance is conserved even when mixed with other pure substance' is a early formal operational stage. The second, the cognitive demand level about 'ionic compound' and 'molecule' is a early formal operational stage, because of "Formal modeling is the indirect interpretation of reality by deductive comparison from a postulated system with its own rules" and "Atoms have a structure". The third, the terms as 'ionic bonding', 'ionic compound', 'chemical formula', 'covalent bonding', 'covalent compound', and 'molecular formula' have been used on many 'science2' textbooks. Those terms would be used later on 'chemistry I' and 'chemistry II' in senior high school but not even 'science3' and 'science'.

A Study on the Fatigue Life of Autofrettaged Compound Cylinder (자긴가공된 이중후육실린더의 피로수명에 관한 연구)

  • Lee, Eun-Yup;Lee, Young-Shin;Yang, Qui-Ming;Kim, Jae-Hoon;Cha, Ki-Up;Hong, Suk-Kyun
    • Transactions of the Korean Society of Mechanical Engineers A
    • /
    • v.33 no.4
    • /
    • pp.296-309
    • /
    • 2009
  • Thick-walled cylinder with high pressure have had wide application in the armament industry. In the thick-walled cylinder, fatigue crack is generated at inner radius and developed toward the outer radius. To prevent generation of fatigue crack, the autofrettage process had been used. The compressive residual stress induced by the autofrettage process extends loading pressure and fatigue life of the thick-walled cylinder. In this study, the residual stress of single and compound cylinder by the autofrettage process was evaluated. The analytical compressive residual stress of single cylinder was good agreement with experimental result at inner radius. The analysis on the residual stress of compound cylinder was conducted. The compressive residual stress at inner radius was increased with the overstrain level. And fatigue life of the compound cylinder with initial crack was evaluated. The considered initial crack shape was straight and semi-elliptical. The fatigue life was extended with the overstrain level. The fatigue life of the compound cylinder with semi-elliptical crack was longer than straight crack. The suitable way to extend fatigue life of the compound cylinder was proposed.

An Exploratory Study on the Speed Limit of Compound Gyroplane(1) : Aerodynamic Analysis of Rotor and Airframe (복합 자이로플레인의 한계 속도에 대한 탐색연구(1) : 로터와 기체의 공력해석)

  • Shin, Byung-joon;Kim, Hak-Yoon
    • Journal of the Korean Society for Aeronautical & Space Sciences
    • /
    • v.43 no.11
    • /
    • pp.971-977
    • /
    • 2015
  • A numerical analysis for the performance of compound gyroplane in forward flight was performed. TSM(Transient Simulation Method) was used to analyze the performance of autorotating rotor. CFD was conducted for the fuselages to recognize the variation of aerodynamic performance according to flight speed. At given conditions; airspeed, shaft angle and collective pitch, the quasi-static states of autorotation were determined and the variation of rotor performance was observed. Performance analysis results showed that the effect of aerodynamic characteristics in accordance with the shape of fuselage is so important that the streamlined fuselage is essential to fly fast. Forward flight speed limit is dependent on the autorotation performance of rotor.

NEAR INFRARED TRANSFLECTANCE SPECTROSCOPY (NIRS) IN PHYTOCHEMISTRY

  • Huck, C.W.;W.Guggenbichler;Bonn, G.K.
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
    • /
    • 2001.06a
    • /
    • pp.3114-3114
    • /
    • 2001
  • During the last years phytochemistry and phytopharmaceutical applications have developed rapidly and so there exists a high demand for faster and more efficient analysis techniques. Therefore we have established a near infrared transflectance spectroscopy (NIRS) method that allows a qualitative and quantitative determination of new polyphenolic pharmacological active leading compounds within a few seconds. As the NIR spectrometer has to be calibrated the compound of interest has at first to be characterized by using one or other a combination of chromatographic or electrophoretic separation techniques such as thin layer chromatography (TLC), high performance liquid chromatography (HPLC), capillary electrophoresis (CE), gas chromatography (GC) and capillary electrochromatography (CEC). Both structural elucidation and quantitative analysis of the phenolic compound is possible by direct coupling of the mentioned separation methods with a mass spectrometer (GC-MS, LC-MS/MS, CE-MS, CEC-MS) and a NMR spectrometer (LC-NMR). Furthermore the compound has to be isolated (NPLC, MPLC, prep. TLC, prep. HPLC) and its structure elucidated by spectroscopic techniques (UV, IR, HR-MS, NMR) and chemical synthesis. After that HPLC can be used to provide the reference data for the calibration step of the near infrared spectrometer. The NIRS calibration step is time consuming, which is compensated by short analysis times. After validation of the established NIRS method it is possible to determine the polyphenolic compound within seconds which allows to raise the efficiency in quality control and to reduce costs especially in the phytopharmaceutical industry.

  • PDF

Integrated Indexing Method using Compound Noun Segmentation and Noun Phrase Synthesis (복합명사 분할과 명사구 합성을 이용한 통합 색인 기법)

  • Won, Hyung-Suk;Park, Mi-Hwa;Lee, Geun-Bae
    • Journal of KIISE:Software and Applications
    • /
    • v.27 no.1
    • /
    • pp.84-95
    • /
    • 2000
  • In this paper, we propose an integrated indexing method with compound noun segmentation and noun phrase synthesis. Statistical information is used in the compound noun segmentation and natural language processing techniques are carefully utilized in the noun phrase synthesis. Firstly, we choose index terms from simple words through morphological analysis and part-of-speech tagging results. Secondly, noun phrases are automatically synthesized from the syntactic analysis results. If syntactic analysis fails, only morphological analysis and tagging results are applied. Thirdly, we select compound nouns from the tagging results and then segment and re-synthesize them using statistical information. In this way, segmented and synthesized terms are used together as index terms to supplement the single terms. We demonstrate the effectiveness of the proposed integrated indexing method for Korean compound noun processing using KTSET2.0 and KRIST SET which are a standard test collection for Korean information retrieval.

  • PDF