• Title/Summary/Keyword: 4/2 SRM

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In - Silico approach and validation of JNK1 Inhibitors for Colon Rectal Cancer Target

  • Bavya, Chandrasekhar;Thirumurthy, Madhavan
    • Journal of Integrative Natural Science
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    • v.15 no.4
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    • pp.145-152
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    • 2022
  • Colon rectal cancer is one of the frequently diagnosed cancers worldwide. In recent times the drug discovery for colon cancer is challenging because of their speedy metastasis and morality of these patients. C-jun N-terminal kinase signaling pathway controls the cell cycle survival and apoptosis. Evidence has shown that JNK1 promotes the tumor progression in various types of cancers like colon cancer, breast cancer and lung cancer. Recent study has shown that inhibiting, JNK1 pathway is identified as one of the important cascades in drug discovery. One of the recent approaches in the field of drug discovery is drug repurposing. In drug repurposing approach we have virtually screened ChEMBL dataset against JNK1 protein and their interactions have been studied through Molecular docking. Cross docking was performed with the top compounds to be more specific with JNK1 comparing the affinity with JNK2 and JNK3.The drugs which exhibited higher binding were subjected to Conceptual - Density functional theory. The results showed mainly Entrectinib and Exatecan showed better binding to the target.

Determination of Lead in Steels by Hydride generation-Inductively Coupled Plama/Mass Spectrometry (수소화물 발생-유도결합플라스마 질량분석법에 의한 철강 중의 납의 정량)

  • Park, Chang Joon;Song, Sun Jin;Lee, Dong Soo
    • Analytical Science and Technology
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    • v.14 no.5
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    • pp.410-415
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    • 2001
  • An analytical method has been developed which determines lead in steel samples by inductively coupled plasma mass spectrometry (ICP-MS) with sample introduction by the hydride generation. The lead hydride is not stable and requires and oxidant for the oxidation into metastable Pb(IV) before reduction to $PbH_4$ with $NaBH_4$. A study was carried out to find and optimum lead hydride generation condition for a sample solution with more than $1000{\mu}g/mL$ Fe matrix. $K_2Cr_2O_7$ was found to work as an efficient oxidant when more than $10{\mu}g/mL$ Fe matrix was present. Lactic acid was used with the oxidant as a complexing agent of the metastable Pb(IV) to enhance sensitivity. Optimum concentrations of the sample acidity, oxidant and lactic acid were different depending on the matrix concentration. The isotope dilution method was employed for the quantitation of lead. The determined Pb concentrations of the NIST steel SRM 361 and 362 were in good agreement with the certified values within the uncertainty range.

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An Experimental Fault Analysis and Speed Control of an Induction Motor using Motor Solver

  • Sengamalai, Usha;Chinnamuthu, Subramani
    • Journal of Electrical Engineering and Technology
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    • v.12 no.2
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    • pp.761-768
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    • 2017
  • This paper deals with the performance analysis of three phase induction motor considering its stator side faults and operating thermal limits. The speed control of induction motor using three phase boost converter operated by a MOSFET switch and a PI controller is demonstrated and presented in this article. IGBTs switches are used for inverter drive mechanism. The experimental result of speed control of induction motor using voltage control technique clearly shows better accuracy than conventional methods of speed control. A three phase 1HP 415V 0.78 kW 4 Pole induction motor is designed using motor solver software. Based on the parameters used in the software thermal analysis of induction motor is done and torque variation with conductor area, efficiency, output curve, losses in different parts of motor has been obtained. Also different types of faults namely under voltage, over voltage, stator imbalanced voltage, turn to turn, locked rotor bar, wrong alignment of rotor bar with respect to stator are studied and fault analysis is performed. Hence comparison is made based upon the results obtained before and after faults.

Partial Oxidation of Methane over Ni/SiO2

  • Roh, Hyun-Seog;Dong, Wen-Sheng;Jun, Ki-Won;Liu, Zhong-Wen;Park, Sang-Eon;Oh, Young-Sam
    • Bulletin of the Korean Chemical Society
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    • v.23 no.5
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    • pp.669-673
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    • 2002
  • Ni catalyst (Ni: 15 wt%) supported on precalcined SiO2 has been investigated in reforming reactions of methane to synthesis gas. The catalyst exhibited fairly good activity and stability in partial oxidation of methane (POM), whereas it deactivated in steam reforming of methane (SRM). Pulse reaction results of CH4, O2, and CH4/O2 revealed that Ni/SiO2 has high capability to dissociate methane. The results also revealed that both CH4 and O2 are activated on the surface of metallic Ni, and then surface carbon species react with adsorbed oxygen to produce CO and CO2 depending on the bond strength of the oxygen species on the catalyst surface.

공중발사형 3단 로켓 개발에 관한 연구

  • 이재우;황진용;변영환;이창진
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2000.04a
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    • pp.12-12
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    • 2000
  • 우리 나라는 일본상공의 비행을 피하기 위하여 제주도와 남해안 근해로 발사장 선정이 국한되는 지정학적인 위치로 볼 때 발사장 선택에 제한이 없는 공중발사에 대한 가능성 연구가 필요한 시점에 있다. 본 연구는 우리 나라와 같은 분단 된 특수상황 그리고 지정학적 위치에서의 발사장을 고려한 우주 발사체 개발의 필요성에 따라 F-4에 장착 가능한 3단형 공중발사 로켓을 설계하고 1/3의 축소 모형을 제작하였다. 2kg의 payload를 갖는 발사체의 1단은 LRM ( Lox/kerosene )을 사용하였고 2, 3단은 SRM ( HTPB/AP/Al )을 사용하였으며 발사고도는 11-l2km 상공에서 F-4에 의해서 발사되고 31km지점에서 1단 분리가 이루어지며 62km지점에서 2단 분리와 nose fairing을 분리하게 된다. 전장은 6.85m 이며 전체 무게는 560.6kg 이고 전체 발사체 시스템의 CAD 도면은 아래 그림 1과 같이 주어져 있다. 그림 2에서는 F-4E phantom의 장착성을 검토해 본 결과 장착이 가능함을 알 수 있었으며 추진제 양의 감소로 크기를 대폭 줄일 수 있었다.

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Hologram Based QSAR Analysis of Xanthine Oxidase Inhibitors

  • Sathya., B
    • Journal of Integrative Natural Science
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    • v.10 no.4
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    • pp.202-208
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    • 2017
  • Xanthine Oxidase is an enzyme, which oxidizes hypoxanthine to xanthine, and xanthine to uric acid. It is widely distributed throughout various organs including the liver, gut, lungs, kidney, heart, brain and plasma. It is involved in gout pathogenesis. Hence, in the present study, Hologram based Quantitative Structure Activity Relationship Study was performed on a series of Xanthine Oxidase antagonist named 2-(indol-5-yl) thiazole derivatives. The best HQSAR model was obtained using Atoms, Bonds, Connection, Hydrogen, Chirality and Donor Acceptor as fragment distinction parameter using hologram length 71 and 4 components with fragment size of minimum 2 and maximum 5. Significant cross-validated correlation coefficient ($q^2$= 0.563) and non cross-validated correlation coefficients ($r^2$= 0.967) were obtained. The model was then used to evaluate the six external test compounds and its $r^2{_{pred}}$ was found to be 0.798. Contribution map show that presence of propyl ring in indole thiazole makes big contributions for improving the biological activities of the compounds. We hope that our HQSAR model and analysis will be helpful for future design of xanthine oxidase antagonists.

Fragment based QSAR Analysis of CXCR-2 Inhibitors Using Topomer CoMFA Approach

  • Thirumurthy, M
    • Journal of Integrative Natural Science
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    • v.10 no.4
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    • pp.209-215
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    • 2017
  • CXC chemokine receptor 2 (CXCR2) is a prominent chemokine receptor on neutrophils. CXCR2 antagonist may reduce the neutrophil chemotaxis and alter the inflammatory response because the neutrophilic inflammation in the lung diseases is found to be largely regulated through CXCR2 receptor. Hence, in the present study, Topomer based Comparative Molecular Field Analysis (Topomer CoMFA) was performed on a series of CXCR2 antagonist named pyrimidine-5-carbonitrile-6-alkyl derivatives. The best Topomer COMFA model was obtained with significant cross-validated correlation coefficient ($q^2$ = 0.487) and non cross-validated correlation coefficients ($r^2$ = 0.980). The model was evaluated with six external test compounds and its $r^2{_{pred}}$ was found to be 0.616. The steric and electrostatic contribution map show that presence of bulkier and electropositive group around cyclopropyl ring may contribute more for improving the biological activities of these compounds. The generated Topomer CoMFA model could be helpful for future design of novel and structurally related CXCR2 antagonists.

Template-free preparation of TiO2 microspheres for the photocatalytic degradation of organic dyes

  • Al Ruqaishy, Mouza;Al Marzouqi, Faisal;Qi, Kezhen;Liu, Shu-yuan;Karthikeyan, Sreejith;Kim, Younghun;Al-Kindy, Salma Mohamed Zahran;Kuvarega, Alex Tawanda;Selvaraj, Rengaraj
    • Korean Journal of Chemical Engineering
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    • v.35 no.11
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    • pp.2283-2289
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    • 2018
  • $TiO_2$ microspheres were successfully synthesised by simple solution phase method by using various amount of titanium butoxide as precursor. The prepared $TiO_2$ were characterized by X-ray diffraction (XRD), UV-vis diffuse reflectance absorption spectra (UV-DRS), X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM). XRD analysis revealed that the as-synthesized $TiO_2$ microsphere poses an anatase phase. The photocatalytic degradation experiments were carried out with three different dyes, such as methylene blue, brilliant black, reactive red-120 for four hours under UV light irradiation. The results show that $TiO_2$ morphology had great influence on photocatalytic degradation of organic dyes. The experimental results of dye mineralization indicated the concentration was reduced by a high portion of up to 99% within 4 hours. On the basis of various characterization of the photocatalysts, the reactions involved to explain the photocatalytic activity enhancement due to the concentration of titanium butoxide and morphology include a better separation of photogenerated charge carriers and improved oxygen reduction inducing a higher extent of degradation of aromatics.

Effects and optimum conditions of pre-reductant in the analysis of inorganic arsenic by hydride generation-atomic absorption spectrometry (HG-AAS에 의한 무기비소 분석 시 예비환원제의 최적화 조건과 분석에 미치는 영향)

  • Song, Myung Jin;Park, Kyung Su;Kim, Young Man;Lee, Won
    • Analytical Science and Technology
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    • v.18 no.5
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    • pp.396-402
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    • 2005
  • We try to look for optimum conditions of pre-reductants like L-Cysteine, KI and $FeSO_4$ when analyzing inorganic arsenic by using hydride generation-atomic absorption spectrometry, and run a comparative study of effect in the analysis of them. Also, we separated and analyzed only inorganic arsenic by using $H_2SO_4$-trap to eliminate organic arsenic which are MMA(monomethylarsonate) and DMA(dimethylarsinate). Under the conditions of mixture acid of 1.8 M HCl and 0.08 M $HNO_3$, arsenic standard solution of 20 ppb have more higher absorbance than without adding acid. In case of L-Cysteine, As(V) completely reduces into As(III) when 0.5 g of L-Cysteine is reacted more than 30 mins. in weak acid condition of approximately 0.07 M $HNO_3$ or HCl. In the event of KI, As(V) completely reduces into As(III) when 3 g of KI is reacted more than 1hour in acid condition of 0.8 M $HNO_3$. On the occasion of $FeSO_4$, the inside of tube is blocked by precipitation by mixture reaction of $NaBH_4$ and $Fe^{2+}$, therefore, comparing to other pre-reductants, reproducibility of efficiency of reducing As(V) to As(III) is low. To evaluate the accuracy of the analytical results, we use NIST SRM 1643C Trace Elements in Water ($82.1{\pm}1.2ng/mL$). The results are satisfactory.

Synthesis, Antibacterial, Docking and Anticancer Evaluation of N-Substituted Benzoyl Derivatives

  • Arthi, P.;Shobana, S.;Srinivasan, P.;Rahiman, A. Kalilur
    • Journal of Integrative Natural Science
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    • v.7 no.4
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    • pp.241-252
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    • 2014
  • A series of N-benzoylated ligands incorporating three different benzoyl groups 2,2'-(benzoyliminodiethylene)-4-substituted phenols ($L^{1,4,7}$), 2,2'-(4-nitrobenzoyliminodiethylene)-4-substituted phenols ($L^{2,5,8}$) and 2,2'-(3,5-dinitrobenzoyliminodiethylene)-4-substituted phenols ($L^{3,6,9}$) were synthesized and characterized by IR, $^1H$ NMR, $^{13}C$ NMR and mass spectroscopy. The In vitro antibacterial activity of investigated ligands were tested against human pathogenic bacteria such as four Gram (-) Enterococcus faecalis, Pseudomonas aeruginosa, Staphylococcus aureus, Vibrio cholera, Vibrio harveyi and two Gram (+) Staphylococcus aureus, Streptococcus mutans. Furthermore, docking studies were undertaken to gain insight into the possible binding mode of these compounds with the binding site of the topoisomerase II (PDB: 4FM9) enzyme which is involved in DNA superhelicity and chromosome seggregation. The N-benzoylated derivatives $L^{5,7,8}$ have significant anticancer activity as Topoisomerase inhibitors. The ligands $L^5$ and $L^8$ were tested for their anticancer activity against human liver adenocarcinoma (HepG2) cell line with the MTT assay.