• Bulletin of the Korean Chemical Society
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• 제23권8호
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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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• 제25권6호
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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.

• 한국자기공명학회논문지
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• 제22권4호
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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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• 제30권11호
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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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• 제17권5호
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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.

• 정보처리학회논문지A
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• 제13A권1호
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• pp.71-78
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• 2006

어플리케이션에서 XML 데이터를 이용하기 위한 방법으로 XML 타입 정의에 맞는 클래스를 생성하고 데이터의 인터페이스를 담당하게 하는 XML 바인딩 방법이 있다. 그런데 이러한 방법을 지원하는 기존의 바인딩 프레임워크에서는 XML 정의 문법에서 정의된 모든 요소에 대해 클래스를 생성하여 클래스의 수가 많아지고 전체 어플리케이션의 복잡도가 높아지는 문제가 있다. 본 연구에서는 XML 정의 문법에서 XML 바인딩 클래스 생성이 필요한 요소들을 추출하는 인라인 방법을 제안한다. 제안된 바인딩 클래스생성 방법은 반복과 재귀 등의 경우에만 클래스를 생성하고 터미널 요소의 값은 필드로 표현하는 클래스를 생성한다. 그리고 인라인된 요소들의 경로를 회복하여 XML 문서를 생성하기 위한 마샬링 알고리즘을 소개한다. 제안된 방법을 검증하기 위하여 IBinder 시스템을 개발하고 생성된 결과를 기존의 방법과 비교하였다. 그 결과 IBinder 시스템에서 생성된 XML 바인딩 클래스의 수가 크게 줄어드는 것을 보일 수 있었다.

• BMB Reports
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• 제37권5호
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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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• 제14권3호
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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.

• 대한화학회지
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• 제28권3호
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• pp.185-193
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• 1984

송아지 胸線 DNA의 nucleotide 당 spermine 0.016 분자의 비율로 結合되는 spermine 濃度에서 그 DNA와 ethidium과의 結合에 對한 Hill 係數는 1.7인 反面에 spermine이 存在하지 않는 條件에서는 그 Hill 係數가 0.38이었다. Spermine에 依한 DNA의 viscometric titration data, 260nm에서의 anomalous absorbance-temperature profile 및 粘性度-溫度 樣相과 더불어 이 data를 基礎로 하여 spermine 結合에 依하여 誘發되는 conformational transition의 allosteric propagation이 DNA의 凝縮된 構造로의 單分子的 collapse에 관여됨을 豫測할 수 있다.

• 한국통신학회논문지
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• 제36권11B호
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• pp.1269-1276
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• 2011

Proxy Mobile IPv6 (PMIPv6) 프로토콜에서는 단말간 통신 시에 모든 데이터 패킷이 Local Mobility Anchor (LMA)를 거쳐 전달되어 통신단말이 모두 동일 망에 위치한 경우 데이터 패킷이 최적화되지 않은 경로를 사용함으로 인해 성능이 저하된다. 본 논문에서는 Binding Query를 활용한 PMIPv6의 경로최적화 기법을 제안한다. 제안되는 Query-based PMIPv6 (Q-PMIPv6) 기법에서 Correspondent Node (CN)의 Mobile Access Gateway (MAG)는 Mobile Node (MN)의 Proxy Care-of-Address를 획득하기 위하여 LMA로 Binding Query를 보내고, 이후에 CN과 MN는 최적화된 경로를 이용하여 데이터 전송을 수행한다. 성능분석을 위해 제안하는 Q-PMIPv6 기법과 기존의 PMIPv6 및 PMIPv6 Localized Routing (PMIPv6-LR) 기법을 이론적인 수치 분석 및 ns-2 시뮬레이션을 통해 비교하였다. 비교 분석 결과, 제안하는 Q-PMIPv6 기법이 시그널링 비용 및 데이터 전달 비용 측면에 서 기존 PMIPv6 및 PMIPv6-LR 기법에 비해 우수함을 확인하였다.