• Bulletin of the Korean Chemical Society
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• v.23 no.8
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• pp.1073-1077
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• 2002

Binding of dodecyl trimethylammonium bromide (DTAB) to human and bovine hemoglobin and globin samples has been investigated in 50 mM glycine buffer pH = 10, I = 0.0318 and 300 K by equilibrium dialysis and temperature scanning spectrophotometry techniques and method for calculation of average hydrophobicity. The binding data has been analyzed, in terms of binding capacity concept $({\theta})$, Hill coefficient (nH) and intrinsic Gibbs free energy of binding $({\Delta}Gbv).$ The results of binding data, melting point (Tm) and average hydrophobicity show that human hemoglobin has more structural stability than bovine hemoglobin sample. Moreover the results of binding data analysis represent the systems with two and one sets of binding sites for hemoglobin and globin, respectively. It seems that the destabilization of hemoglobin structure due to removal of heme group, is responsible of such behavior. The results indicating the removal of heme group from hemoglobin caused the depletion of first binding set as an electrostatic site upon interaction with DTAB and exposing the hydrophobic patches for protein.

• Bulletin of the Korean Chemical Society
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• v.25 no.6
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• pp.791-795
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• 2004

The binding of cethyl trimethylammonium bromide, (CTAB) with human serum albumin (HSA) has been investigated at 5 mM phosphate buffer pH 7.0, 27 $^{\circ}C$ and various ionic strength using ion selective membrane electrodes. This method is faster and much more accurate than equilibrium dialysis technique, so provides sufficient and accurate data for binding data analysis. A novel and simple method was introduced for resolution and characterization of binding sets on basis of binding capacity concept. The values of Hill binding parameters were estimated for each set and used for calculation of intrinsic binding affinity. The results interpreted on basis of nature of forces which interfered in the interaction and represent the existence of three and two binding sets for binding of CTAB at $10^{-4}$ and $10^{-3}$ M of NaBr, respectively.

• Journal of the Korean Magnetic Resonance Society
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• v.22 no.4
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• pp.125-131
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• 2018

Chemical shift perturbation (CSP) is a simple NMR technique for studying binding of a protein to various ligands. CSP is the only technique that can directly provide both a value for the dissociation constant and a binding site from the same set of measurements. To accurately analyze the CSP data, the exact binding mode such as multiple binding, should be carefully considered. In this review, we analyzed systematically the CSP data with multiple modes. This analysis might provide insight into the mechanism on how proteins selectively recognize their target ligands to achieve the biological function.

• Bulletin of the Korean Chemical Society
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• v.30 no.11
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• pp.2717-2722
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• 2009

The use of the classification and regression tree (CART) methodology was studied in a quantitative structure-activity relationship (QSAR) context on a data set consisting of the binding affinities of 39 imidazobenzodiazepines for the α1 benzodiazepine receptor. The 3-D structures of these compounds were optimized using HyperChem software with semiempirical AM1 optimization method. After optimization a set of 1481 zero-to three-dimentional descriptors was calculated for each molecule in the data set. The response (dependent variable) in the tree model consisted of the binding affinities of drugs. Three descriptors (two topological and one 3D-Morse descriptors) were applied in the final tree structure to describe the binding affinities. The mean relative error percent for the data set is 3.20%, compared with a previous model with mean relative error percent of 6.63%. To evaluate the predictive power of CART cross validation method was also performed.

• Computers and Concrete
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• v.17 no.5
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• pp.655-672
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• 2016

A predictive model for chloride binding isotherms of blended cements with various supplementary cementitious materials (SCMs) was established in this work. Totally 560 data points regarding the chloride binding isotherms of 106 various cements were collected from literature. The total amount of bound chloride for each mixture was expressed a combinational function of the predicted phase assemblage and binding isotherms of various hydrated phases. New quantitative expressions regarding the chloride binding isotherms of calcium-silicate-hydrate (C-S-H), AFm, and hydrotalcite phases were provided. New insights about the roles of SCMs on binding capabilities of ordinary portland cements (OPC) were discussed. The proposed model was verified using separate data from different sources and was shown to be reasonably accurate.

• The KIPS Transactions:PartA
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• v.13A no.1 s.98
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• pp.71-78
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• 2006

For using XML data in programming languages, there is a data binding method, which generates classes from XML type definitions. However, since existing binding frameworks for this method generate all classes for element definitions, the number of generated classes becomes large and the complexity of the overall application system gets high. In this research, we propose an inline binding method for selecting necessary classes from element definitions. In the proposed method, classes are created only for elements with repetitions and recursions, and they include fields for values of terminal elements. We introduce a generation algorithm for binding classes and the marshaling methods for recovering the omitted paths. We develop IBinder system to validate the proposed method and compare the generated codes with the ones of existing systems. As a result, we carl show that the number of generated classes decrease substantially compared to other systems.

• BMB Reports
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• v.37 no.5
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• pp.533-537
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• 2004

Previously published kinetic data on the interactions of seventeen different enzymes with their physiological substrates are re-examined in order to understand the connection between ground state binding energy and transition state stabilization of the enzyme-catalyzed reactions. When the substrate ground state binding energies are normalized by the substrate molar volumes, binding of the substrate to the enzyme active site may be thought of as an energy concentration interaction; that is, binding of the substrate ground state brings in a certain concentration of energy. When kinetic data of the enzyme/substrate interactions are analyzed from this point of view, the following relationships are discovered: 1) smaller substrates possess more binding energy concentrations than do larger substrates with the effect dropping off exponentially, 2) larger enzymes (relative to substrate size) bind both the ground and transition states more tightly than smaller enzymes, and 3) high substrate ground state binding energy concentration is associated with greater reaction transition state stabilization. It is proposed that these observations are inconsistent with the conventional (Haldane) view of enzyme catalysis and are better reconciled with the shifting specificity model for enzyme catalysis.

• Archives of Pharmacal Research
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• v.14 no.3
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• pp.271-278
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• 1991

To investigate further whether the effects of the dihydropyridine (DHP) drugs on calcium channels are related to those of these drugs on muscarinic receptors, the binding characteristics of the DHP calcium channel agonist, Bay K 8644, on muscarinic receptors and calcium channels were compared to those of the DHP calcium channel antagonists, nicardipine and nimodipine in the dog cardiac sarcolemma. Bay K 8644, nicardipine and nimodipine inhibited the specific $[^3H]$QNB binding with $K_i$ values of 16.7\mu{M}$, 3.5\mu{M}$ and 15.5\mu{M}$ respectively. Saturation data of $[^3H]$QNB binding with $K_i$ VALUES OF 16.7\mu{M}$ 3.5\mu{M}$ and 15.5\mu{M}$ respectively. Saturation data of $[^3H]$QNB binding in the presence of these DHP drugs showed this inhibition to be competitive. Bay K 8644, like nicardipine and nimodipine, blocked the binding of $[^3H]$nitrendipine to the high affinity DHP binding sites, but atropine did not, indicating that the muscarinic receptors and the DHP binding sites m but atropine did not, indicating that the muscarinic receptors and the DHP bindings sites on calcium channels are distinct. The $K_i$ value of Bay K 8644 for the DHP binding sites was 4nM. Nicardipine and nimodipine $(K_i:0.1-0.2\;nM)$ were at least 20 times more potent than Bay K 8644 in inhibiting $[^3H]$ nitrendipine binding. Thus, the muscarinic receptors were about 4000 times less sensitive than thes high afinity DHP binding sites to Bay K 8644. These results suggest that the DHP calcium agonist Bay K 8644 binds directly to the muscarinic receptors but its interaction with the muscarinic receptors is not related to its binding to the DHP binding sites on calcium channels.

• Journal of the Korean Chemical Society
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• v.28 no.3
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• pp.185-193
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• 1984

At the spermine concentration to cover the number of the binding site of spermine 0.016 per nucleotide, the Hill coefficient of the ethidium binding to the calf thymus DNA was 1.7, while the value was 0.38 in the absence of the spermine. On the basis of the data, together with other present data on the viscometric titration of the DNA with spermine and anomalous absorbance-temperature profile at 260nm and viscosity-temperature profile, it can be speculated that allosteric propagation of the conformational transition induced by the binding of the spermine may be involved in the monomolecular collapse of the DNA to a condensed structure.

• The Journal of Korean Institute of Communications and Information Sciences
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• v.36 no.11B
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• pp.1269-1276
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• 2011

In the Proxy Mobile IPv6 (PMIPv6), the data transmission performance may be degraded when the two communicating hosts are located within the same mobile domain, since all the data packet shall be delivered by way of Local Mobility Anchor (LMA). In this paper we propose an extensional scheme of PMIPv6 using binding query. In the proposed Query-based PMIPv6 (Q-PMIPv6) scheme, the Mobile Access Gateway (NAG) of Correspondent Node (CN) sends a binding query to LMA to obtain the Proxy Care-of-Address of Mobile Node (MN). Since then, CN and MN can communicate with each other by using an optimized data path. For comparison, we performed the numerical analysis and the ns-2 simulations for the proposed Q-PMIPv6 scheme and the existing PMIPv6 and PMIPv6 Localized Routing (PMIPv6-LR). From the results, we can see that the proposed scheme outperforms the existing PMIPv6 and PMIPv6-LR schemes in terms of the signaling control and data delivery costs.