• Title/Summary/Keyword: bond evaluation

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Computational Optimization of Bioanalytical Parameters for the Evaluation of the Toxicity of the Phytomarker 1,4 Napthoquinone and its Metabolite 1,2,4-trihydroxynapththalene

  • Gopal, Velmani;AL Rashid, Mohammad Harun;Majumder, Sayani;Maiti, Partha Pratim;Mandal, Subhash C
    • Journal of Pharmacopuncture
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    • v.18 no.2
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    • pp.7-18
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    • 2015
  • Objectives: Lawsone (1,4 naphthoquinone) is a non redox cycling compound that can be catalyzed by DT diaphorase (DTD) into 1,2,4-trihydroxynaphthalene (THN), which can generate reactive oxygen species by auto oxidation. The purpose of this study was to evaluate the toxicity of the phytomarker 1,4 naphthoquinone and its metabolite THN by using the molecular docking program AutoDock 4. Methods: The 3D structure of ligands such as hydrogen peroxide ($H_2O_2$), nitric oxide synthase (NOS), catalase (CAT), glutathione (GSH), glutathione reductase (GR), glucose 6-phosphate dehydrogenase (G6PDH) and nicotinamide adenine dinucleotide phosphate hydrogen (NADPH) were drawn using hyperchem drawing tools and minimizing the energy of all pdb files with the help of hyperchem by $MM^+$ followed by a semi-empirical (PM3) method. The docking process was studied with ligand molecules to identify suitable dockings at protein binding sites through annealing and genetic simulation algorithms. The program auto dock tools (ADT) was released as an extension suite to the python molecular viewer used to prepare proteins and ligands. Grids centered on active sites were obtained with spacings of $54{\times}55{\times}56$, and a grid spacing of 0.503 was calculated. Comparisons of Global and Local Search Methods in Drug Docking were adopted to determine parameters; a maximum number of 250,000 energy evaluations, a maximum number of generations of 27,000, and mutation and crossover rates of 0.02 and 0.8 were used. The number of docking runs was set to 10. Results: Lawsone and THN can be considered to efficiently bind with NOS, CAT, GSH, GR, G6PDH and NADPH, which has been confirmed through hydrogen bond affinity with the respective amino acids. Conclusion: Naphthoquinone derivatives of lawsone, which can be metabolized into THN by a catalyst DTD, were examined. Lawsone and THN were found to be identically potent molecules for their affinities for selected proteins.

Evaluation of Strength and Durability of Casein-cemented Sand (카제인으로 고결된 모래의 강도 및 내구성 평가)

  • Park, Sung-Sik;Woo, Seong-Wook
    • Journal of the Korean Geotechnical Society
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    • v.35 no.1
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    • pp.31-42
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    • 2019
  • About 3% of Casein is included in milk and it accounts for 80% of milk's protein. It has an adhesive property when mixed with calcium hydroxide and sodium hydroxide solutions. It has been usually used to bond woods under dry condition but becomes weak when exposed to moisture. Such weakness is very critical when casein is applied for soil cementation under groundwater condition. Therefore, this study was aimed to protect such weakness by changing or adding certain ingredients of casein adhesive. Two types of cemented specimens were prepared with Nakdong river sand and tested for unconfined compressive strength and durability. Each specimen was mixed with casein or cement. Ingredients of casein binder suggested by the University of Wisconsin, which is called a standard casein recipe, was also prepared. This study tried 6 different types of casein binder recipe. Among them, one with 30% hydroxide calcium increase and 50% hydroxide sodium decrease compared with the standard casein was most effective. Based on the most effective casein recipe, cemented sand with 1-4% of casein ratio was prepared and tested. The unconfined compressive strength and durability index were 6,253kPa and 92% for the specimen with 4% of casein ratio and 1,500kPa and 62% for the one with 8% of cement ratio. Therefore, casein cemented sand showed better performance. In addition, over 3% of casein cemented sand had over 80% durability index.

Flexural Reinforcement of Timber Beams Using Carbon Fiber Plates (탄소섬유판을 사용한 목재 보의 휨보강)

  • Choi, Jin-Chul;Kim, Seung-Hun;Lee, Yong-Taeg
    • Journal of the Korea institute for structural maintenance and inspection
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    • v.26 no.6
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    • pp.238-246
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    • 2022
  • This paper summarizes the development and evaluation of the reinforcement details of CFRP plates to improve the bending performance of wooden beams. In this study, the reinforcing technology using high-strength bolts for the end of beam were developed as reinforcement details for reinforcing wooden beams with CFRP plates by EBM method. In order to evaluate the bending performance, a bending test was conducted for the specimens with details of reinforcement such as the EBM method and the NSM method. From the experimental results, the EBM specimens without end restraints had both the CFRP plate attachment failure and the splitting failure of the wood. In the load-displacement curve, the non-reinforced specimens exhibited linear elastic behavior and then brittle fracture after the maximum load. The maximum load of the specimens reinforced by the EBM method increased by 31.5~63.0% compared to the non-reinforced specimens, and the maximum load according to the end restraints of the high-strength bolts increased by 24.0%. Based on the reinforcement amount of the same CFRP plate, EBM reinforcement was 2.67 times larger in maximum load increase rate than NSM reinforcement.

Improving Lifetime Prediction Modeling for SiON Dielectric nMOSFETs with Time-Dependent Dielectric Breakdown Degradation (SiON 절연층 nMOSFET의 Time Dependent Dielectric Breakdown 열화 수명 예측 모델링 개선)

  • Yeohyeok Yun
    • The Journal of Korea Institute of Information, Electronics, and Communication Technology
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    • v.16 no.4
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    • pp.173-179
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    • 2023
  • This paper analyzes the time-dependent dielectric breakdown(TDDB) degradation mechanism for each stress region of Peri devices manufactured by 4th generation VNAND process, and presents a complementary lifetime prediction model that improves speed and accuracy in a wider reliability evaluation region compared to the conventional model presented. SiON dielectric nMOSFETs were measured 10 times each under 5 constant voltage stress(CVS) conditions. The analysis of stress-induced leakage current(SILC) confirmed the significance of the field-based degradation mechanism in the low electric field region and the current-based degradation mechanism in the high field region. Time-to-failure(TF) was extracted from Weibull distribution to ascertain the lifetime prediction limitations of the conventional E-model and 1/E-model, and a parallel complementary model including both electric field and current based degradation mechanisms was proposed by extracting and combining the thermal bond breakage rate constant(k) of each model. Finally, when predicting the lifetime of the measured TDDB data, the proposed complementary model predicts lifetime faster and more accurately, even in the wider electric field region, compared to the conventional E-model and 1/E-model.

Effect of RGD peptide coating of implant titanium surface on human mesenchymal stem cell response (양극산화 티타늄 표면에 서로 다른 RGD 펩타이드 코팅 방법이 인간간엽줄기세포 반응에 미치는 영향)

  • Kim, Min-Su;Jeong, Chang-Mo;Jeon, Young-Chan;Ryu, Jae-Jun;Huh, Jung-Bo;Yun, Mi-Jung
    • The Journal of Korean Academy of Prosthodontics
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    • v.49 no.3
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    • pp.245-253
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    • 2011
  • Purpose: The aim of this in vitro study was to estimate surface characteristic after peptide coating and investigate biological response of human mesenchymal stem cell to anodized titanium discs coated with RGD peptide by physical adhesion and chemical fixation. Materials and methods: Fluorescence isothiocyanate (FITC) modified RGD-peptide was coated on the anodized titanium discs (diameter 12 mm, height 3 mm) using two methods. One was physical adhesion method and the other was chemical fixation method. Physical adhesion was performed by dip and dry procedure, chemical fixation was performed by covalent bond via silanization. In this study, human mesenchymal stem cell was used for experiments. The experiments consisted of surface characteristic evaluation after peptide coating, analysis about cell adhesion, proliferation, differentiation, and mineralization. Obtained data are statistically treated using Kruskal-Wallis test and Bonferroni test was performed as post hoc test (P=.05). Results: The evaluation of FE-SEM images revealed no diffenrence at micro-surfaces between each groups. Total coating dose was higher at physical adhesion experimental group than at chemical fixation experimental group. In cell adhesion and proliferation, RGD peptide coating did not show a statistical significance compared with control group (P>.05). In cell differentiation and mineralization, physical adhesion method displayed significantly increased levels compared with control group and chemical fixation method (P<.05). Conclusion: RGD peptide coating seems to enhance osseointegration by effects on the response of human mesenchymal stem cell. Especially physical adhesion method showed more effective than chemical fixation method on response of human mesenchymal stem cell.

Evaluation of polymerization shrinkage stress in silorane-based composites (Silorane계 복합레진의 중합수축응력의 평가)

  • Ryu, Seung-Ji;Cheon, Ji-Hoon;Min, Jeong-Bum
    • Restorative Dentistry and Endodontics
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    • v.36 no.3
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    • pp.188-195
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    • 2011
  • Objectives: The purpose of this study was to evaluate the polymerization shrinkage stress among conventional methacrylate-based composite resins and a silorane-based composite resin. Materials and Methods: The strain gauge method was used for the determination of polymerization shrinkage strain. Specimens were divided by 3 groups according to various composite materials. Filtek Z-250 (3M ESPE) and Filtek P-60 (3M ESPE) were used as a conventional methacrylate-based composites and Filtek P-90 (3M ESPE) was used as a silorane-based composites. Measurements were recorded at each 1 second for the total of 800 seconds including the periods of light application. The results of polymerization shrinkage stress were statistically analyzed using One way ANOVA and Tukey test (p = 0.05). Results: The polymerization shrinkage stress of a silorane-based composite resin was lower than those of conventional methacrylate-based composite resins (p < 0.05). The shrinkage stress between methacrylate-based composite resin groups did not show significant difference (p > 0.05). Conclusions: Within the limitation of this study, silorane-based composites showed lower polymerization shrinkage stress than methacrylate-based composites. We need to investigate more into polymerization shrinkage stress with regard to elastic modulus of silorane-based composites for the precise result.

유청단백질로 만들어진 식품포장재에 관한 연구

  • Kim, Seong-Ju
    • 한국유가공학회:학술대회논문집
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    • 2002.04a
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    • pp.59-60
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    • 2002
  • Edible films such as wax coatings, sugar and chocolate covers, and sausage casings, have been used in food applications for years$^{(1)}$ However, interest in edible films and biodegradable polymers has been renewed due to concerns about the environment, a need to reduce the quantity of disposable packaging, and demand by the consumer for higher quality food products. Edible films can function as secondary packaging materials to enhance food quality and reduce the amount of traditional packaging needed. For example, edible films can serve to enhance food quality by acting as moisture and gas barriers, thus, providing protection to a food product after the primary packaging is opened. Edible films are not meant to replace synthetic packaging materials; instead, they provide the potential as food packagings where traditional synthetic or biodegradable plastics cannot function. For instance, edible films can be used as convenient soluble pouches containing single-servings for products such as instant noodles and soup/seasoning combination. In the food industry, they can be used as ingredient delivery systems for delivering pre-measured ingredients during processing. Edible films also can provide the food processors with a variety of new opportunities for product development and processing. Depends on materials of edible films, they also can be sources of nutritional supplements. Especially, whey proteins have excellent amino acid balance while some edible films resources lack adequate amount of certain amino acids, for example, soy protein is low in methionine and wheat flour is low in lysine$^{(2)}$. Whey proteins have a surplus of the essential amino acid lysine, threonine, methionine and isoleucine. Thus, the idea of using whey protein-based films to individually pack cereal products, which often deficient in these amino acids, become very attractive$^{(3)}$. Whey is a by-product of cheese manufacturing and much of annual production is not utilized$^{(4)}$. Development of edible films from whey protein is one of the ways to recover whey from dairy industry waste. Whey proteins as raw materials of film production can be obtained at inexpensive cost. I hypothesize that it is possible to make whey protein-based edible films with improved moisture barrier properties without significantly altering other properties by producing whey protein/lipid emulsion films and these films will be suitable far food applications. The fellowing are the specific otjectives of this research: 1. Develop whey protein/lipid emulsion edible films and determine their microstructures, barrier (moisture and oxygen) and mechanical (tensile strength and elongation) properties. 2. Study the nature of interactions involved in the formation and stability of the films. 3. Investigate thermal properties, heat sealability, and sealing properties of the films. 4. Demonstrate suitability of their application in foods as packaging materials. Methodologies were developed to produce edible films from whey protein isolate (WPI) and concentrate (WPC), and film-forming procedure was optimized. Lipids, butter fat (BF) and candelilla wax (CW), were added into film-forming solutions to produce whey protein/lipid emulsion edible films. Significant reduction in water vapor and oxygen permeabilities of the films could be achieved upon addition of BF and CW. Mechanical properties were also influenced by the lipid type. Microstructures of the films accounted for the differences in their barrier and mechanical properties. Studies with bond-dissociating agents indicated that disulfide and hydrogen bonds, cooperatively, were the primary forces involved in the formation and stability of whey protein/lipid emulsion films. Contribution of hydrophobic interactions was secondary. Thermal properties of the films were studied using differential scanning calorimetry, and the results were used to optimize heat-sealing conditions for the films. Electron spectroscopy for chemical analysis (ESCA) was used to study the nature of the interfacial interaction of sealed films. All films were heat sealable and showed good seal strengths while the plasticizer type influenced optimum heat-sealing temperatures of the films, 130$^{\circ}$C for sorbitol-plasticized WPI films and 110$^{\circ}$C for glycerol-plasticized WPI films. ESCA spectra showed that the main interactions responsible for the heat-sealed joint of whey protein-based edible films were hydrogen bonds and covalent bonds involving C-0-H and N-C components. Finally, solubility in water, moisture contents, moisture sorption isotherms and sensory attributes (using a trained sensory panel) of the films were determined. Solubility was influenced primarily by the plasticizer in the films, and the higher the plasticizer content, the greater was the solubility of the films in water. Moisture contents of the films showed a strong relationship with moisture sorption isotherm properties of the films. Lower moisture content of the films resulted in lower equilibrium moisture contents at all aw levels. Sensory evaluation of the films revealed that no distinctive odor existed in WPI films. All films tested showed slight sweetness and adhesiveness. Films with lipids were scored as being opaque while films without lipids were scored to be clear. Whey protein/lipid emulsion edible films may be suitable for packaging of powder mix and should be suitable for packaging of non-hygroscopic foods$^{(5,6,7,8,)}$.

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Evaluation of Tensions and Prediction of Deformations for the Fabric Reinforeced -Earth Walls (섬유 보강토벽체의 인장력 평가 및 변형 예측)

  • Kim, Hong-Taek;Lee, Eun-Su;Song, Byeong-Ung
    • Geotechnical Engineering
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    • v.12 no.4
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    • pp.157-178
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    • 1996
  • Current design methods for reinforced earth structures take no account of the magnitude of the strains induced in the tensile members as these are invariably manufactured from high modulus materials, such as steel, where straits are unlikely to be significant. With fabrics, however, large strains may frequently be induced and it is important to determine these to enable the stability of the structure to be assessed. In the present paper internal design method of analysis relating to the use of fabric reinforcements in reinforced earth structures for both stress and strain considerations is presented. For the internal stability analysis against rupture and pullout of the fabric reinforcements, a strain compatibility analysis procedure that considers the effects of reinforcement stiffness, relative movement between the soil and reinforcements, and compaction-induced stresses as studied by Ehrlich 8l Mitchell is used. I Bowever, the soil-reinforcement interaction is modeled by relating nonlinear elastic soil behavior to nonlinear response of the reinforcement. The soil constitutive model used is a modified vertsion of the hyperbolic soil model and compaction stress model proposed by Duncan et at., and iterative step-loading approach is used to take nonlinear soil behavior into consideration. The effects of seepage pressures are also dealt with in the proposed method of analy For purposes of assessing the strain behavior oi the fabric reinforcements, nonlinear model of hyperbolic form describing the load-extension relation of fabrics is employed. A procedure for specifying the strength characteristics of paraweb polyester fibre multicord, needle punched non-woven geotHxtile and knitted polyester geogrid is also described which may provide a more convenient procedure for incorporating the fablic properties into the prediction of fabric deformations. An attempt to define improvement in bond-linkage at the interconnecting nodes of the fabric reinforced earth stracture due to the confining stress is further made. The proposed method of analysis has been applied to estimate the maximum tensions, deformations and strains of the fabric reinforcements. The results are then compared with those of finite element analysis and experimental tests, and show in general good agreements indicating the effectiveness of the proposed method of analysis. Analytical parametric studies are also carried out to investigate the effects of relative soil-fabric reinforcement stiffness, locked-in stresses, compaction load and seepage pressures on the magnitude and variation of the fabric deformations.

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Cellular Analysis and Measurement of Mucin in Sputum of Chronic Airway Disease (만성기도질환의 객담세포분석과 mucin의 측정)

  • Kim, Ki-Up;Kim, Yang-Ki;Shin, Chan-Young;Kim, Do-Jin;Uh, Soo-Taek;Kim, Yong-Hoon;Ko, Kwang-Ho;Park, Choon-Sik
    • Tuberculosis and Respiratory Diseases
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    • v.49 no.1
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    • pp.82-92
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    • 2000
  • Background : In chronic airway disease, mucus secretion is increased, but extraction of mucin, which is the main component of mucus secretion, is a very complicated and limited in clinical use. Recently, monoclonal antibody for mucin was developed for possible clinical use. In this study, cellular analysis and quantification of respiratory mucin in sputum of patients with chronic airway diseases were performed. Method : Sputum was collected from patients with asthma(n=33), bronchiectasis(n=8) or chronic bronchitis (n=13) by spontaneous expectoration or by hypertonic saline induction. Collected sputums was treated by 0.1% dithiotreitol to dissociate the disulfide bond of the mucus and filtered through a nylon gauze. Total cell count, viability and differential count were measured. For detection of mucin, collected samples were treated with sodium dodecyl sulfate polyacrylamide gel electrophoresis and then with monoclonal antibody(HMO2), as the primary antibody, and PAS stain. The amount of mucin was measured with ELISA by HMO2. Correlation with clinical information, cellular analysis, and amount of measured mucin were analyzed. Results : Total cell counts of sputum were significantly increased in patients with bronchiectasis but viability remained the same. Eosinophils were significantly increased in patients with asthma, neutrophils in bronchiectasis chronic bronchitis, respectively (p<0.05). The results of Western blotting and PAS staining confirmed the presence of glycoproteins and matched? with mucin. The amounts of mucin measured by ELISA were not significantly different among the disease groups. Significant correlation was identified between the amount of mucin and viability(r=-0.482, p<0.05). Conclusion : Inflammatory cells in the sputum of those with chronic airway disease were different for each disease type. Measurement of mucin by ELISA via monoclonal antibodies may be a simple method for the evaluation of chronic airway disease.

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Are Bound Residues a Solution for Soil Decontamination\ulcorner

  • Bollag, Jean-Marc
    • Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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    • 2003.10a
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    • pp.111-124
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    • 2003
  • Processes that cause immobilization of contaminants in soil are of great environmental importance because they may lead to a considerable reduction in the bioavailability of contaminants and they may restrict their leaching into groundwater. Previous investigations demonstrated that pollutants can be bound to soil constituents by either chemical or physical interactions. From an environmental point of view, chemical interactions are preferred, because they frequently lead to the formation of strong covalent bonds that are difficult to disrupt by microbial activity or chemical treatments. Humic substances resulting from lignin decomposition appear to be the major binding ligands involved in the incorporation of contaminants into the soil matrix through stable chemical linkages. Chemical bonds may be formed through oxidative coupling reactions catalyzed either biologically by polyphenol oxidases and peroxidases, or abiotically by certain clays and metal oxides. These naturally occurring processes are believed to result in the detoxification of contaminants. While indigenous enzymes are usually not likely to provide satisfactory decontamination of polluted sites, amending soil with enzymes derived from specific microbial cultures or plant materials may enhance incorporation processes. The catalytic effect of enzymes was evaluated by determining the extent of contaminants binding to humic material, and - whenever possible - by structural analyses of the resulting complexes. Previous research on xenobiotic immobilization was mostly based on the application of $^{14}$ C-labeled contaminants and radiocounting. Several recent studies demonstrated, however, that the evaluation of binding can be better achieved by applying $^{13}$ C-, $^{15}$ N- or $^{19}$ F-labeled xenobiotics in combination with $^{13}$ C-, $^{15}$ N- or $^{19}$ F-NMR spectroscopy. The rationale behind the NMR approach was that any binding-related modification in the initial arrangement of the labeled atoms automatically induced changes in the position of the corresponding signals in the NMR spectra. The delocalization of the signals exhibited a high degree of specificity, indicating whether or not covalent binding had occurred and, if so, what type of covalent bond had been formed. The results obtained confirmed the view that binding of contaminants to soil organic matter has important environmental consequences. In particular, now it is more evident than ever that as a result of binding, (a) the amount of contaminants available to interact with the biota is reduced; (b) the complexed products are less toxic than their parent compounds; and (c) groundwater pollution is reduced because of restricted contaminant mobility.

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