• Title/Summary/Keyword: 3-D Analytical Method

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Molecular Characterization of Legionellosis Drug Target Candidate Enzyme Phosphoglucosamine Mutase from Legionella pneumophila (strain Paris): An In Silico Approach

  • Hasan, Md. Anayet;Mazumder, Md. Habibul Hasan;Khan, Md. Arif;Hossain, Mohammad Uzzal;Chowdhury, A.S.M. Homaun Kabir
    • Genomics & Informatics
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    • v.12 no.4
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    • pp.268-275
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    • 2014
  • The harshness of legionellosis differs from mild Pontiac fever to potentially fatal Legionnaire's disease. The increasing development of drug resistance against legionellosis has led to explore new novel drug targets. It has been found that phosphoglucosamine mutase, phosphomannomutase, and phosphoglyceromutase enzymes can be used as the most probable therapeutic drug targets through extensive data mining. Phosphoglucosamine mutase is involved in amino sugar and nucleotide sugar metabolism. The purpose of this study was to predict the potential target of that specific drug. For this, the 3D structure of phosphoglucosamine mutase of Legionella pneumophila (strain Paris) was determined by means of homology modeling through Phyre2 and refined by ModRefiner. Then, the designed model was evaluated with a structure validation program, for instance, PROCHECK, ERRAT, Verify3D, and QMEAN, for further structural analysis. Secondary structural features were determined through self-optimized prediction method with alignment (SOPMA) and interacting networks by STRING. Consequently, we performed molecular docking studies. The analytical result of PROCHECK showed that 95.0% of the residues are in the most favored region, 4.50% are in the additional allowed region and 0.50% are in the generously allowed region of the Ramachandran plot. Verify3D graph value indicates a score of 0.71 and 89.791, 1.11 for ERRAT and QMEAN respectively. Arg419, Thr414, Ser412, and Thr9 were found to dock the substrate for the most favorable binding of S-mercaptocysteine. However, these findings from this current study will pave the way for further extensive investigation of this enzyme in wet lab experiments and in that way assist drug design against legionellosis.

Warping and porosity effects on the mechanical response of FG-Beams on non-homogeneous foundations via a Quasi-3D HSDT

  • Mokhtar Nebab;Hassen Ait Atmane;Riadh Bennai;Mouloud Dahmane
    • Structural Engineering and Mechanics
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    • v.90 no.1
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    • pp.83-96
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    • 2024
  • This paper suggests an analytical approach to investigate the free vibration and stability of functionally graded (FG) beams with both perfect and imperfect characteristics using a quasi-3D higher-order shear deformation theory (HSDT) with stretching effect. The study specifically focuses on FG beams resting on variable elastic foundations. In contrast to other shear deformation theories, this particular theory employs only four unknown functions instead of five. Moreover, this theory satisfies the boundary conditions of zero tension on the beam surfaces and facilitates hyperbolic distributions of transverse shear stresses without the necessity of shear correction factors. The elastic medium in consideration assumes the presence of two parameters, specifically Winkler-Pasternak foundations. The Winkler parameter exhibits variable variations in the longitudinal direction, including linear, parabolic, sinusoidal, cosine, exponential, and uniform, while the Pasternak parameter remains constant. The effective material characteristics of the functionally graded (FG) beam are assumed to follow a straightforward power-law distribution along the thickness direction. Additionally, the investigation of porosity includes the consideration of four different types of porosity distribution patterns, allowing for a comprehensive examination of its influence on the behavior of the beam. Using the virtual work principle, equations of motion are derived and solved analytically using Navier's method for simply supported FG beams. The accuracy is verified through comparisons with literature results. Parametric studies explore the impact of different parameters on free vibration and buckling behavior, demonstrating the theory's correctness and simplicity.

A Study on the Status of Work Environment in the Manufacturing with Less Than Five Workers in Gimhae Area (김해지역 5인 미만 제조업 사업장의 작업환경실태)

  • Lee, Kyung-Yeul;Moon, Deog-Hwan
    • Journal of Korean Society of Occupational and Environmental Hygiene
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    • v.16 no.2
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    • pp.131-144
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    • 2006
  • For the purpose of preparing the fundamental data on working environment of small scale manufacturing industries and preventing the occupational diseases of workers in these industries, authors surveyed the status of working environment to several chemical substances and physical agents by types of industry and types of process in the small scale manufacturing industries with less than five workers in Gimhae including 235 workplaces, 14 types of industry and 25 types of process from January 2002 to December 2004. This measurement method was work environment measurement method (established in Ministry of Labor, Korea), analytical methods (2nd Ed.) of Occupational Safety and Health Administration (OSHA) and manual of analytical methods (4th Ed.) of National Institute for Occupational Safety and Health (NIOSH) and collected data was analyzed by using SPSS 10.0 for windows, the results were as follows: 1. Noise generated in 14 types of industry and 22 types of process. an actual level of mean exposure (90.7 dB(A)) exceeded threshold limit values (TLVs) in manufacture of other transport equipment. An actual level of mean exposure (90.2dB) exceeded TLVs in the process of wire-drawing and 90.4dB in the process of wire-stranding. 2. Dusts of type I, II, III were generated in 9 types of industry and 8 types of process. Its mean concentration did not exceed TLVs. 3. Heavy metals (Pb, Mn, Cr, Ni) were generated in 7 types of industry and 7 types of process. Its mean concentration did not exceed TLVs. 4. 16 kinds of organic solvents were generated in 11 types of industry and 6 types of process. Its mean concentration did not exceed TLVs. As the above results, chemical substances and physical agents were generated in the several different types of industry and process of the manufacturing industry with less than five workers, and only mean level of noise was exceeded TLVs. In case of exceeding threshold limit values, improvement of work environment is actively needed, and work environment management should be performed continuously for prevention of an occupational diseases and work related diseases.

Quantitative Analysis of Ellagic Acid in Nymphaea tetragona Georgi Root by HPLC-UVD (HPLC-UVD를 이용한 수련(Nymphaea tetragona Georgi)의 Ellagic Acid 정량 분석)

  • Lee, Dong Young;Jeong, Eun Ju;Jeon, Byung Ju;Sung, Sang Hyun
    • Korean Journal of Pharmacognosy
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    • v.45 no.1
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    • pp.84-87
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    • 2014
  • A high performance liquid chromatography (HPLC) method for the quantitation of ellagic acid in Nymphaea tetragona was developed for the quality control of functional cosmetic ingredient, the extract of N. tetragona. Separation and quantitation were successfully achieved with a Kromasil C18 column ($5{\mu}m$, $250mm{\times}4.6mm$, i.d.) by isocratic elution of a mixture of acetonitrile containing 0.1% trifluoroacetic acid and water containing 0.03% phosphoric acid at a flow rate of 1.0 ml/min. The UV detector was used for the detection and the wavelength for quantitation was set at 254 nm. The presence of ellagic acid in the extract was determined by comparison of retention time and spiking with authentic standard. Analytical results showed good linearity ($R^2=0.99996$) in relatively wide concentration ranges. The R.S.D. for precision test was less than 3.0%. Recovery of the compound was 98.55~101.72% with R.S.D values less than 4.0%. In conclusion, this method has been successfully applied to the determination of ellagic acid in N. tetragona.

Simultaneous Determination of Eight Compounds in Lysimachia christinae by HPLC-DAD

  • Gahee Ryu;Choong Je Ma
    • Natural Product Sciences
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    • v.28 no.4
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    • pp.187-193
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    • 2022
  • Lysimachia christinae Hance was commonly used in Oriental medicine for treating the hepatitis virus, cholecystitis and cholagogic efficiency. According to the previous study, it possesses high antioxidant and anti-inflammatory activity. Simultaneous determination analytical method of isolated eight compounds, cynaroside (1), 2-(3,4-dimethoxyphenyl) ethyl O-α-L-arabinopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→3)] β-D-glucopyranoside (2), stearylester ricinoleic acid (3), (E)-4-(3,4-dimethoxyphenyl) but-3-en-1-yl palmitate (4), 2-hydroxy-24-methoxy-4-tetracosenoic acid (5), 2-hydroxy-24-propoxy-4-tetracosenoic acid (6), β-sitosterol (7), and androst-16-ene-3,6-diol (8) were established by using HPLC-DAD. This HPLC analysis was detected on a Dionex C18 column (5 ㎛, 120 Å, 4.6 mm × 150 mm) at 25℃. The mobile phase consisted of 0.1% trifluoroacetic acid and acetonitrile at a flow rate of 1 mL/min. Validation of the method was assessed by linearity, precision and accuracy test. Calibration curve was good at r2 > 0.9998. Limits of detection (LOD) ranged from 0.19 to 8.18 g/ml and Limits of quantification (LOQ) ranged from 0.19 to 24.80 g/ml. The relative standard deviations (RSD) values of precision test, intra- and inter- day, were less than 0.99% and 1.0%. The accuracy test results ranged from 98.81% to 106.49% and RSD values were less than 0.95%. These results showed that the HPLC-DAD method was very reliable and accurate for the quantity analysis of eight compounds in L. christinae extract for quality control.

Analysis of Imidazoline Type Cationic Surfactants (Imidazoline계 양이온 계면활성제 분석)

  • Bak, Hong-Soon;Choi, Kyu-Yeol;Lee, Jae-Duk;Kim, Yeo-Kyung;Ahn, Ho-Jeong
    • Applied Chemistry for Engineering
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    • v.9 no.3
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    • pp.404-406
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    • 1998
  • Analysis for the imidazoline type cationic surfactants was performed by the gas chromatography(GC) and high performance liquid chromatography(HPLC). The composition of the alkyl chain distribution was investigated by GC after base/Acid hydrolysis of the imidazoline ring. The distribution of total alkyl chain was separated clearly by a Bondclone C18/NOVA-Pak C18 HPLC column using 50% acetonitrile in methanol containing 0.1M sodium perchlorate as a mobile phase. Alkyl chain distribution and average molecular weight of imidazoline type cationic surfactants were obtained based on these analytical methods. The agreement of results from GC and HPLC was good. The detection limit of imidazoline by HPLC method was 10ng without pretreatment.

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A Study on the Transport of Soil Contaminant (A Development of FDM Model for 3-D Advection-Diffusion Equation with Decay Term) (토양 오염원의 이동에 관한 연구 (감쇠항이 있는 3차원 이송-확산 방정식의 수치모형 개발))

  • Kim, Sang-Jun
    • Journal of Korea Water Resources Association
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    • v.45 no.2
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    • pp.179-189
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    • 2012
  • To simulate the transport of pollutant, a numeric model for the advection-diffusion equation with the decay term is developed. This is finite-difference model using the implicit method (with the weight factor ${\alpha}$) and Gauss-Seidel SOR(successive over-relaxation). This model is compared to the analytical solutions (of simpler dimensional or boundary conditions), and in the condition of Peclet number < 5~20, the result shows stable condition, and Crank-Nicolson method (${\alpha}$=0.5) shows the more accurate results than fully-implicit method (${\alpha}$=1). The mass of advection, diffusion and decay is calculated and the error of mass balance is less than 3%. This model can evaluate the 3-D concentrations of the advection-diffusion and decay problems, but this model uses only the finite-difference method with the fixd grid system, so it can be effectively used in the problems with small Peclet numbers like the pollutant transport in groundwater.

Application of Dynamic Reaction Cell - Inductively Coupled Plasma Mass Spectrometry for the Determination of Calcium by Isotope Dilution Method (반응셀 유도결합플라스마 질량분석분석기를 이용한 칼슘 동위원소비율의 측정과 동위원소희석법의 적용)

  • Suh, Jungkee;Yim, Yonghyeon;Hwang, Euijin;Lee, Sanghak
    • Analytical Science and Technology
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    • v.15 no.5
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    • pp.417-426
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    • 2002
  • Inductively Coupled Plasma Dynamic Reaction Cell Quadrupole Mass Spectrometry (ICP-DRC-QMS) was characterized for the detection of the six naturally occurring calcium isotopes. The effect of the operating conditions of the DRC system was studied to get the best signal-to-noise ratio. This experiment shows that the potentially interfering ions such as $Ar^+$, ${CO_2}^+$, ${NO_2}^+$, $CNO^+$ at the calcium masses m/z 40, 42, 43, 44 and 48 were removed by flowing $NH_3$ gas at the rate of 0.7 mL/min $NH_3$ as reactive cell gas in the DRC with a RPq value (rejection parameter) of 0.6. The limits of detection for $^{40}Ca$, $^{42}Ca$, $^{43}Ca$, $^{44}Ca$, and $^{48}Ca$ were 1, 29, 169, 34, and 15 pg/mL, respectively. This method was applied to the determination of calcium in synthetic food digest samples (CCQM-P13) provided by LGC for international comparison. The isotope dilution method was used for the determination of calcium in the samples. The uncertainty evaluation was performed according to the ISO/GUM and EURACHEM guidelines. The determined mean concentration and its expanded uncertainty of calcium was ($66.4{\pm}1.2$) mg/kg. In order to assess our method, two reference samples, Riverine Water reference sample (NRCC SLRS-3) and Trace Elements in Water reference sample (NIST SRM 1643d), were analyzed.

N-oleoyl-D-erythro-sphingosine-based Analysis of Ceramide by High Performance Liquid Chromatography and Its Application to Determination in Diverse Biological Samples

  • Lee, Youn-Sun;Choi, Heon-Kyo;Yoo, Jae-Myung;Choi, Kyong-Mi;Lee, Yong-Moon;Oh, Sei-Kwan;Kim, Tack-Joong;Yun, Yeo-Pyo;Hong, Jin-Tae;Okino, Nozomu;Ito, Makoto;Yoo, Hwan-Soo
    • Molecular & Cellular Toxicology
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    • v.3 no.4
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    • pp.273-281
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    • 2007
  • Ceramide is involved in cell death as a lipid mediator of stress responses. In this study, we developed an improved method of ceramide quantification based on added synthetic ceramide and thin layer chromatography (TLC) separation, and applied to biological samples. Lipids were extracted from samples spiked with N-oleoyl-D-erythro-sphingosine ($C_{17}$ ceramide) as an internal standard. Ceramide was resolved by TLC, complexed with fatty-acidfree bovine serum albumin (BSA), and deacylated by ceramidase (CDase). The released sphingosine was derivatized with o-phthalaldehyde (OPA) and measured by high performance liquid chromatography (HPLC). The limit of detection for ceramide was about 1-2 pmol and the lower limit of quantification was 5 pmol. Ceramide recovery was approximately 86-93%. Ceramide concentrations were determined in biological samples including cultured cells, mouse tissues, and mouse and human plasma. TLC separation of ceramide provides HPLC chromatogram with a clean background without any interfering peaks and the enhanced solubility of ceramide by BSAceramide complex leads to the increased deacylation of ceramide. The use of an internal standard for the determination of ceramide concentration in these samples provides an accurate and reproducible analytical method, and this method can be applicable to diverse biological samples.

Graphic Information Acquisition of Architectures using Multi-Image System (다중영상시스템을 이용한 건축물의 도형정보취득)

  • 이재기;박경식;정성혁
    • Journal of the Korean Society of Surveying, Geodesy, Photogrammetry and Cartography
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    • v.15 no.1
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    • pp.97-105
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    • 1997
  • In order to conserve architecture accurately as original feature, we need to get the data which is measured in detail about the information of size, position, type, shape, and other terms for architectures. Recently, we need to get data fast and correctly, to compose and to update the database of geographic information system, but using existing method. it is difficult to update the data effectively in the rapid development of information industry. In this study, therefore, It is measured precisely architecture using accurate close-range photogrammetry The aims of this study are real-measured plan by processing acquired image through multi-image matching method if photogrammetry, suggesting the method which is able to draw in detail front plane and plane of well-established architecture, and giving data to obtain accurate size and 3-D coordinate using analytical method.

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