• Title/Summary/Keyword: 6/4 SRM

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Identification of Selective STAT1 Inhibitors by Computational Approach

  • Veena Jaganivasan;Dona Samuel Karen;Bavya Chandrasekhar
    • Journal of Integrative Natural Science
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    • v.16 no.3
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    • pp.81-95
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    • 2023
  • Colorectal cancer is one of the most common types of cancer worldwide, ranking third after lung and breast cancer in terms of global prevalence. With an expected 1.93 million new cases and 935,000 deaths in 2020, it is more prevalent in males than in women. Evidence has shown that during the later stages of colon cancer, STAT1 promotes tumor progression by promoting cell survival and resistance to chemotherapy. Recent studies have shown that inhibiting STAT1 pathway leads to a reduction in tumor cell proliferation and growth, and can also promote apoptosis in colon cancer cells. One of the recent approaches in the field of drug discovery is drug repurposing. In drug repurposing approach we have virtually screened FDA database against STAT1 protein and their interactions have been studied through Molecular docking. Cross docking was performed with the top 10 compounds to be more specific with STAT1 comparing the affinity with STAT2, STAT3, STAT4, STAT5a, STAT5b and STAT6. The drugs that showed higher affinity were subjected to Conceptual - Density functional theory. Besides, the Molecular dynamic simulation was also carried out for the selected leads. We also validated in-vitro against colon cancer cell lines. The results showed mainly Acetyldigitoxin has shown better binding to the target. From this study, we can predict that the drug Acetyldigitoxin has shown noticeable inhibitory efficiency against STAT1, which in turn can also lead to the reduction of tumor cell growth in colon cancer.

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.

Distribution Characteristics of Platinum Group Elements in Roadside Dust from Daejeon, Korea (대전 도로변 먼지내 Platinum Group Elements의 분포 특성)

  • Lim, Jong-Myoung;Jeong, Jin-Hee;Lee, Jin-Hong
    • Journal of Environmental Impact Assessment
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    • v.27 no.5
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    • pp.405-416
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    • 2018
  • In this research, the distribution of Platinum Group Elements (PGEs) at roadside dust in Daejeon, Korea was examined using an ICP-MS (Inductively Coupled Plasma-Mass Spectrometry) technique. For the quality assurance of the determination, method validation based on its accuracy and precision was conducted using SRM (Standard Reference Material). It was found that the relative errors of Pt, Pd, and Rh against each SRM value were -0.7%, -10.0%, and -20.4%, respectively, while relative standard deviations for three elements were less than 10%. The concentrations of Pt, Pd and Rh in roadside dust averaged as $17.4{\pm}9.2{\mu}g/kg$, $283.6{\pm}20.5{\mu}g/kg$, and $7.3{\pm}2.8{\mu}g/kg$, respectively. The concentrations of Pt and Rh have significantly higher distribution patterns in the dust at roadside and underground parking lot than those in soil of the background or other urban area. The correlation analysis between concentrations of PGEs in roadside dust indicates that the distribution of Pt and Rh concentration were strongly affected by automobile sources.

Study on Determination of Boron using the PGAA Facility at HANARO Research Reactor (하나로의 즉발감마선 방사화분석 장치를 이용한 붕소의 정량에 대한 연구)

  • Chung, Young-Sam;Cho, Hyun-Jae;Moon, Jong-Hwa;Kim, Sun-Ha;Kim, Young-Jin
    • Analytical Science and Technology
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    • v.16 no.5
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    • pp.391-398
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    • 2003
  • Basic research for the determination of boron content in biological sample has been carried out using the PGAA facility of the 24MW research reactor(HANARO). For investigation of characteristics for the measurement condition, neutron flux and its homogeneity were measured at irradiating geometry. The size of thermal neutron beam collimated from beam guide is $2{\times}2cm^2$ at the sample position. The neutron flux measured was the range of $1.0{\sim}6.5{\times}10^7n{\cdot}cm^{-2}{\cdot}s^{-1}$, and flux distribution from center within the radius of 4.5 mm and 9.0 mm was $5.77{\pm}0.71{\times}10^7n{\cdot}cm^{-2}{\cdot}s^{-1}$ and $4.68{\pm}1.64{\times}10^7n{\cdot}cm^{-2}{\cdot}s^{-1}$, respectively. Accordingly, sample size is adjusted within 10 mm for a homogeneous irradiation of high quality. Measurement system is designed to reduce the background source by Compton scattering and to improve the analytical sensitivity. To investigate the energy calibration and Compton suppression effect of gamma-ray counting system, the background conditions on both of Compton and single-mode were measured using NaCl standard. On the other hand, degree of spectral interference for sodium 472 keV peak as a matrix effect in the sample is established for an accurate boron analysis, and then boron content in three certified reference materials (NIST SRM 1570a, 1547, 1573a) was measured by using two modes and the results were compared with each other.

Performance of Switched Reluctance Motor Driven by Novel C-Dump Inverter (Novel C-Dump 인버터에 의한 SRM의 구동특성)

  • An, Young-Joo;Joe, Cheol-Je;Ahn, Jin-Woo;Hwang, Young-Moon
    • Proceedings of the KIEE Conference
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    • 1993.11a
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    • pp.163-165
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    • 1993
  • This study describes the influence of the mutual inductance between the adjacent phase windings of variable reluctance motor[VRM] and presents a new type of inverter for reduction of such influence. In this inverter topology, though an additional power switch is used as compared with the conventional C-dump inverter circuit, unwanted negative torque produced by the mutual inductance is remarkably reduced. Hence, the circuits results in increase of the average torque and contributes to the improvement of overall drive efficiency. Theoretical prediction is verified by experimental results obtained with the integration of presented inverter and prototype 6/4 VRM.

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Modal Analysis of the Switched Reluctance Motor Using 3D Transfer Matrix Method (3차원 전달행렬법을 이용한 스위치드 릴럭턴스 전동기의 모달 해석)

  • Ha, K.H.;Kang, K.H.;Hong, J.P.;Kim, G.T.
    • Proceedings of the KIEE Conference
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    • 1999.07a
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    • pp.173-175
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    • 1999
  • This paper deals with the rotor vibration analysis of Switched Reluctance Motor(SRM) with the 6/4 poles. For this analysis, 3-dimensional mode shapes corresponding to the natural frequency and critical speed map according to rotor speed are presented by using 3D Transfer Matrix Method(TMM). The gyroscopic effect and shear deformation of rotor are considered.

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A Low Cost Position Sensing Method with Optical Sensors for Switched Reluctance Motor

  • Yoon Yong-Ho;Jeong Kyun-Ha;Kim Jae-Moon;Won Chung-Yuen;Kim Ji-Won
    • Journal of Power Electronics
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    • v.5 no.3
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    • pp.240-246
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    • 2005
  • Considering the start-up and economical efficiency, the optical sensor technique using a slotted-disk and an opto-interrupter are appropriate, however, this method needs three opto-interrupters and a slotted-disk when driving the 6/4 pole SRM(switched reluctance motor). In this paper, we propose an economic method by replacing the conventional opto-interrupter and slotted-disk with only optical sensor which enables the motor to start up and forward and reverse operation. Also the control circuit includes only analog devices, which makes the process more economical.

Preconcentration and Determination of Fe(III) from Water and Food Samples by Newly Synthesized Chelating Reagent Impregnated Amberlite XAD-16 Resin

  • Tokahoglu, Serife;Ergun, Hasan;Cukurovah, Alaaddin
    • Bulletin of the Korean Chemical Society
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    • v.31 no.7
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    • pp.1976-1980
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    • 2010
  • A simple and reliable method has been developed to selectively separate and concentrate trace amounts of Fe(III) ions from water and food samples by using flame atomic absorption spectrometry. A new reagent, 5-hydroxy-4-ethyl-5,6-di-pyridin-2-yl-4,5-dihydro-2H-[1,2,4] triazine-3-thione, was synthesized and characterized by using FT-IR spectroscopy and elemental analysis. Effects of pH, concentration and volume of elution solution, sample flow rate, sample volume and interfering ions on the recovery of Fe(III) were investigated. The optimum pH was found to be 5. Eluent for quantitative elution was 10 mL of 2 M HCl. The preconcentration factor of the method, detection limit (3s/b, ${\mu}gL^{-1}$) and relative standard deviation values were found to be 25, 4.59 and 1%, respectively. In order to verify the accuracy of the method, two certified reference materials (TMDA 54.4 lake water and SRM 1568a rice flour) were analyzed. The results obtained were in good agreement with the certified values. The method was successfully applied to the determination of Fe(III) ions in water and food samples.

Quantitative analysis of cholesterol in infant formula by isotope dilution liquid chromatography-tandem mass spectrometry (동위원소희석 액체크로마토그래피 질량분석법에 의한 분유 내 콜레스테롤의 정량)

  • Ahn, Eun Jeong;Lee, Hwa Shim;Kim, Byung Joo;Lee, Gae Ho
    • Analytical Science and Technology
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    • v.28 no.6
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    • pp.460-466
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    • 2015
  • An isotope dilution liquid chromatography tandem mass spectrometry was developed as a primary method for the quantitative analysis of cholesterol in infant formula. Cholesterol-d4 was used as an internal standard and spiked into the infant formula sample. In order to release cholesterol out of cholesteryl ester, which is cholesterol bound to fatty acids in infant formula, saponification was carried out. Saponification conditions were optimized with heating temperature, reaction time and the concentration of KOH. The optimum conditions were as follows; heating temperature was 70 ℃, reaction time was 180 min and the concentration of KOH was 0.8 mL of 8 M KOH for about 0.1 g infant formula sample. Extraction of cholesterol out of sample solution was carried out with hexane uisng liquid-liquid extraction. Chromatographic analysis was carried out using Phenomenex Kinetex C18 column. Mobile phase was 0.1% acetic acid in methanol/water (v/v, 99/1) and flow rate was 0.3 mL/min. Cholesterol and cholesterol-d4 were monitored at mass transfer m/z 369/259 and 373/263 respectively. Reproducibility of the method was evaluated to be 0.23% of the measurement result. The expanded uncertainty of the measurement result of cholesterol in infant formula was approximately 1.9% at a 95% confidence level. NIST standard reference material having certified values of cholesterol in infant formula, was analyzed in order to verify this method. The ID-LC/MS/MS results were well agreed with the certified values of NIST SRM within the uncertainty.

Hologram Based QSAR Analysis of CXCR-2 Inhibitors

  • Sathya., B
    • Journal of Integrative Natural Science
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    • v.10 no.2
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    • pp.78-84
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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, Hologram based Quantitative Structure Activity Relationship Study was performed on a series of CXCR2 antagonist named pyrimidine-5-carbonitrile-6-alkyl derivatives. The best HQSAR model was obtained using atoms, bonds, and chirality as fragment distinction parameter using hologram length 151 and 6 components with fragment size of minimum 4 and maximum 7. Significant cross-validated correlation coefficient ($q^2=0.774$) and non cross-validated correlation coefficients ($r^2=0.977$) were obtained. The model was then used to evaluate the six external test compounds and its $r^2_{pred}$ was found to be 0.614. Contribution map show that presence of cyclopropyl ring and its bulkier substituent's 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 novel and structurally related CXCR2 antagonists.