• The Journal of the Korea institute of electronic communication sciences
• /
• v.11 no.10
• /
• pp.969-982
• /
• 2016

Recently, the researches to discovery drug candidates from natural herbs have received considerable attention. In human body, enzyme mostly metabolize the compounds of natural herbs. In this study, we analysis the enzyme interactions using assoication mining. We get this data from BRENDA(: BRaunschweig ENzyme DAtabase) system. Based on enzyme interaction model, we divide the metabolites into substrate metabolites, product metabolites, inhibitor metabolites, and activating metabolites. We then compose substrate metabolite transaction, product metabolite transaction with each metabolites and enzyme interaction transaction with all metabolites. Also we take account of organism for each transactions. We mine frequent metabolites and patterns from six transactions using association rule mining. And we analysis the relationship among metabolites. As a result, we identify the distributions and patterns of metabolites consist in enzyme interactions. We found that metabolites include in only substrate are identified and have very low supports. This results can be useful to develop the effective metabolism prediction model for compounds of natural herbs.

• Toxicological Research
• /
• v.23 no.1
• /
• pp.1-9
• /
• 2007

Transporters are membrane proteins that mediate the transfer of substrate across the cellular membrane. In this overview, the characteristics and the toxicological relevance were discussed for various types of transporters. For drug transporters, the overview focused on ATP-binding cassette transporters and solute carrier family 21A/22A member transporters. Except for OCTN transporters and OATP transporters, drug transporters tend to have broad substrate specificity, suggesting drug-drug interaction at the level of transport processes (e.g., interaction between methotrexate and non-steroidal anti-inflammatory agents) is likely. For metal transporters, transporters for zinc, copper and multiple metals were discussed in this overview. These metal transporters have comparatively narrow substrate specificity, except for multiple metal transporters, suggesting that inter-substrate interaction at the level of transport is less likely. In contrast, the expressions of the transporters are often regulated by their substrates, suggesting cellular adaptation mechanism exists for these transporters. The drug-drug interactions in drug transporters and the cellular adaptation mechanisms for metal transporters are likely to lead to alterations in pharmacokinetics and cellular metal homeostasis, which may be linked to the development of toxicity. Therefore, the transporter-mediated alterations may have toxicological relevance.

• Journal of the Korean Ceramic Society
• /
• v.30 no.6
• /
• pp.441-448
• /
• 1993

The Ba1-xSrxTiO3 thin films deposited on ITO-coated glass substrate at 55$0^{\circ}C$ by rf magnetron sputtering method have individual preferential orientations as a function of composition (X=0, 0.25, 0.5, 0.75, 1) due to the stress relief interactions among the intrinsic compressive stress, thermal tensile stress adn extrinsic compressive stress (compressive stress in case of BaTiO3(Tc=12$0^{\circ}C$) and Ba0.75Sr0.25TiO3(Tc=57$^{\circ}C$)). This behavior also appears on the (BaSr)TiO3 thin films (X=0.5) deposited on ITO-coated glass substrate at deposition temperature between 35$0^{\circ}C$ and 55$0^{\circ}C$. The composition of Ba1-xSrxTiO3 thin films deposited on ITO-coated glass substrate at 55$0^{\circ}C$ is close to stoichiometry (1.009~1.089 in A/B ratio), but the compositional deviation from a stoichiometry is larger as SrTiO3 is added. The morphology of Ba1-xSrxTiO3 thin films is very similar for over all substrate temperatures, and the roughness due to the differences of cluster size is the smallest at X=0.25.

• BMB Reports
• /
• v.42 no.3
• /
• pp.166-171
• /
• 2009

Hsp70s assist in the process of protein folding through nucleotide-controlled cycles of substrate binding and release by alternating from an ATP-bound state in which the affinity for substrate is low to an ADP-bound state in which the affinity for substrate is high. It has been long recognized that the two-domain structure of Hsp70 is critical for these regulated interactions. Therefore, it is important to obtain information about conformational changes in the relative positions of Hsp70 domains caused by nucleotide binding. In this study, analytical ultracentrifugation and dynamic light scattering were used to evaluate the effect of ADP and ATP binding on the conformation of the human stress-induced Hsp70.1 protein. The results of these experiments showed that ATP had a larger effect on the conformation of Hsp70 than ADP. In agreement with previous biochemical experiments, our results suggest that conformational changes caused by nucleotide binding are a consequence of the movement in position of both nucleotide- and substrate-binding domains.

• Archives of Pharmacal Research
• /
• v.25 no.6
• /
• pp.807-816
• /
• 2002

Dihydrofolate reductases (DHFR) of human, Candida albicans and E. coli were docked with their original ligands of X-ray crystal complex using QXP (Quick eXPlore), a docking program. Conditions to reproduce the crystal structures within the root mean square deviation (rmsd) of 2.00 $\AA$ were established. Applying these conditions, binding modes and species-specificities of a novel antibacterial compound, $N^4-(2-acetoxyethoxymethyl)-2-acetylpyridine$ thiosemicarbazone (MTSC), were studied. As the results, the docking program reproduced the crystal structures with average rmsd of six ligands as 0.91 $\AA$ ranging from 0.49 to 1.45 $\AA$. The interactions including the numbers of hydrogen bonds and hydrophobic interactions were the same as the crystal structures and superposition of the crystal and docked structures almost coincided with each other. For AATSC, the results demonstrated that it could bind to either the substrate or coenzyme sites of DHFR in all three species with different degrees of affinity. It confirms the experimentally determined kinetic behavior of uncompetitive inhibition against either the inhibitor or the coenzyme. The docked MTSC overlapped well with the original ligands and major interactions were consistent with the ones in the crystal complexes. The information generated from this work should be useful for future development of antibacterial and antifungal agents.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2000.02a
• /
• pp.145-145
• /
• 2000

M-CeO2 (M : noble metal) catalysts have been widely studied as three-way catalysts and methanol synthesis catalysts. Ceria is thought to play a number of roles in these catalysts. The Ce(IV)/Ce(III) redox pair may store/release gases under oxidizing/reducing conditions, extending the operational window. Additionally, metal-ceria interactions lead to several effects, including the dispersion of the active components and promoting the activation of molecules such as CO or NO. Pd is a promising component to current TWC formulations and behaves particularly well when compared with Pt and Rh-based catalysts for low-temperature oxidation of Co and hydrocarbon. However the effect of Pd-ceria interactions on the physicochemical properties of Pd and the redox properties of Ce is not elucidated yet. In order to know exactly about the metal-ceria interactions, the model study are expecting to give a better environment, resulting in the wide use of the surface science tools. The substrate was Si(100) wafer, on which Ta metal was sputtered as a thickness of 100nm. The CeO2 thin film of 30nm was deposited by using the magnetron sputtering. Spin coating and magnetron sputtering methods were used to make the Pd thin film layer. The prepared sample was investigated by in-situ XPS, AES, SEM and AFM analysis.

• Journal of Preventive Medicine and Public Health
• /
• v.42 no.6
• /
• pp.360-370
• /
• 2009

Genetic factors clearly play a role in carcinogenesis, but migrant studies provide unequivocal evidence that environmental factors are critical in defining cancer risk. Therefore, one may expect that the lower availability of substrate for biochemical reactions leads to more genetic changes in enzyme function; for example, most studies have indicated the variant MTHFR genotype 677TT is related to biomarkers, such as homocysteine concentrations or global DNA methylation particularly in a low folate diet. The modification of a phenotype related to a genotype, particularly by dietary habits, could support the notion that some of inconsistencies in findings from molecular epidemiologic studies could be due to differences in the populations studied and unaccounted underlying characteristics mediating the relationship between genetic polymorphisms and the actual phenotypes. Given the evidence that diet can modify cancer risk, gene-diet interactions in cancer etiology would be anticipated. However, much of the evidence in this area comes from observational epidemiology, which limits the causal inference. Thus, the investigation of these interactions is essential to gain a full understanding of the impact of genetic variation on health outcomes. This report reviews current approaches to gene-diet interactions in epidemiological studies. Characteristics of gene and dietary factors are divided into four categories: one carbon metabolism-related gene polymorphisms and dietary factors including folate, vitamin B group and methionines; oxidative stress-related gene polymorphisms and antioxidant nutrients including vegetable and fruit intake; carcinogen-metabolizing gene polymorphisms and meat intake including heterocyclic amins and polycyclic aromatic hydrocarbon; and other gene-diet interactive effect on cancer.

• Proceedings of the KSME Conference
• /
• 2007.05a
• /
• pp.343-348
• /
• 2007

Molecular dynamics study of thermal NIL (Nano Imprint Lithography) process is performed to examine stamp-resist interactions. A layered structure consists of Ni stamp, poly-(methylmethacrylate) thin film resist and Si substrate was constructed for isothermal ensemble simulations. Imposing confined periodicity to the layered unit-cell, sequential movement of stamp followed by NVT simulation was implemented in accordance with the real NIL process. Both vdW and electrostatic potentials were considered in all non-bond interactions and resultant interaction energy between stamp and PMMA resist was monitored during stamping and releasing procedures. As a result, the stamp-resist interaction energy shows repulsive and adhesive characteristics in indentation and release respectively and irregular atomic concentration near the patterned layer were observed. Also, the spring back and rearrangement of PMMA molecules were analyzed in releasing process.

• Korean Journal of Materials Research
• /
• v.14 no.10
• /
• pp.707-712
• /
• 2004

$BiFeO_3$ films grown on (111) $SrTiO_3$ substrate have a rhombohedral structure, identical to that of single crystals. On the other hand, films grown on (110) or (001) $SrTiO_3$ substrate are monoclinically distorted from the rhombohedral structure due to the epitaxial constraint. The easy axis of spontaneous polarization is close to [111] for the variously oriented films. Dramatically enhanced polarization and magnetization have been found for hetero-epitaxially grown $BiFeO_3$ thin films comparing to that of $BiFeO_3$ crystals. The results are explained in terms of an epitaxially-induced transition between cycloidal and homogeneous spin states, via magneto-electric interactions.

• Advances in aircraft and spacecraft science
• /
• v.2 no.3
• /
• pp.263-273
• /
• 2015

Carbon nanotube strain sensors, or so called "fuzzy fiber" sensors have not yet been studied sufficiently. These sensors are composed of a bundle of fiberglass fibers coated with CNT through a thermal chemical vapor deposition process. The characteristics of these fuzzy fiber sensors differ from a conventional nanocomposite in that the CNTs are anchored to a substrate fiber and the CNTs have a preferential orientation due to this bonding to the substrate fiber. A numerical model was constructed to predict the strain response of a composite with embedded fuzzy fiber sensors in order to compare result with the experimental results obtained in an earlier study. A comparison of the numerical and experimental responses was conducted based on this work. The longitudinal sensor output from the model matches nearly perfectly with the experimental results. The transverse and off-axis tests follow the correct trends; however the magnitude of the output does not match well with the experimental data. An explanation of the disparity is proposed based on microstructural interactions between individual nanotubes within the sensor.