scholarly journals Thermal Study of a Newly Synthesized Cu(II) Complex Binding to Bovineβ-Lactoglobulin

2013 ◽  
Vol 2013 ◽  
pp. 1-4
Author(s):  
Adeleh Divsalar ◽  
Lyla Barzegar ◽  
Gholamreza Rezaei Behbehani
Keyword(s):  
Thermodynamic Parameters ◽  
Tertiary Structure ◽  
Thermal Study ◽  
Titration Calorimetry ◽  
Solvation Model ◽  
Different Temperatures ◽  
Solvation Parameters ◽  
Partially Unfolded ◽  
Solvation Theory ◽  
Good Agreement

We have investigated the interactions betweenβ-lactoglobulin, BLG, and new synthesized Cu(II) complex (2,2′-dibipyridine Cu(II) chloride) using isothermal titration calorimetry (ITC) methods at different temperatures of 298 and 310 K. The heats of BLG + Cu(II) interactions are reported and analyzed in terms of the extended solvation theory for calculation of binding and thermodynamic parameters of the interaction. The results suggested that binding of Cu(II) complex on BLG resulted in significant changes on the tertiary structure and conformation of protein via increasing of hydrophobicity and inducing partially unfolded structure in BLG which has a good agreement with the solvation parameters recovered by the extended solvation model suggesting destabilization of the protein.

scholarly journals A Comparative Interaction between Copper Ions with Alzheimer'sβAmyloid Peptide and Human Serum Albumin

2012 ◽  
Vol 2012 ◽  
pp. 1-4 ◽  
Author(s):  
G. Rezaei Behbehani ◽  
L. Barzegar ◽  
M. Mohebbian ◽  
A. A. Saboury
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Copper Ions ◽  
Copper Ion ◽  
Titration Calorimetry ◽  
Solvation Model ◽  
Solvation Parameters ◽  
Induced Aggregation

The interaction of Cu2+with the first 16 residues of the Alzheimer's amyliodβpeptide,Aβ(1–16), and human serum albumin (HSA) were studied in vitro by isothermal titration calorimetry at pH 7.2 and 310 K in aqueous solution. The solvation parameters recovered from the extended solvation model indicate that HSA is involved in the transport of copper ion. Complexes betweenAβ(1–16) and copper ions have been proposed to be an aberrant interaction in the development of Alzheimer's disease, where Cu2+is involved inAβ(1–16) aggregation. The indexes of stability indicate that HSA removed Cu2+fromAβ(1–16), rapidly, decreased Cu-induced aggregation ofAβ(1–16), and reduced the toxicity ofAβ(1–16) + Cu2+significantly.

Thermal Study of Lysozyme Binding with β-Cyclodextrin

2011 ◽  
Vol 110-116 ◽  
pp. 1966-1969 ◽  
Author(s):  
Gholamreza Rezaei Behbehani ◽  
Lyla Barzegar
Keyword(s):  
Isothermal Titration Calorimetry ◽  
Thermal Study ◽  
Tris Buffer ◽  
Titration Calorimetry ◽  
Solvation Model ◽  
Buffer Solution ◽  
Tris Buffer Solution

Effects of β-cyclodextrin, βCD, on refolding of lysozyme was investigated at pH 12 employing isothermal titration calorimetry (ITC) at 300K in 30mM Tris buffer solution. βCD was employed as an anti-aggregation agent and the heats obtained for lysozyme+βCD interactions are reported and analyzed in terms of the extended solvation model. It was indicated that there are two sets of identical and non-cooperative sites for βCD.

Calorimetric and Spectroscopic investigations οf β-lactoglobulin upon interaction with copper ion

2012 ◽  
Vol 79 (2) ◽  
pp. 209-215 ◽  
Author(s):  
Adeleh Divsalar ◽  
Sajedeh Ebrahim Damavandi ◽  
Ali Akbar Saboury ◽  
Arefeh Seyedarabi ◽  
Ali Akbar Moosavi-Movahedi
Keyword(s):  
Tertiary Structure ◽  
Copper Ions ◽  
Copper Ion ◽  
Industrial Applications ◽  
Titration Calorimetry ◽  
Different Temperatures ◽  
Uv Visible ◽  
Cd Studies ◽  
Effect Of Copper ◽  
Β Lactoglobulin

The effect of copper(II) ions (Cu+2) on the structure of β-lactoglobulin (β-lg) was investigated spectroscopically using UV-visible, fluorescence and circular dichroism (CD) and calorimetrically using isothermal titration calorimetry (ITC), at different temperatures. Results of the UV-visible studies showed that adding Cu+2 to β-lg solution caused increasing turbidity, indicative of protein aggregation. It was noticeable that the rate of increasing turbidity was directly proportional to increasing temperature. The far-UV CD studies displayed that the Cu+2 cannot induce any significant changes in the secondary structures of β-lg at different temperatures. Also, the ITC data indicated that the binding process of Cu+2 to β-lg is mainly entropically driven. The results highlight that copper ions cause the tertiary structure of β-lg to change and induce a slightly open structure leading to the formation of supramolecular aggregates in β-lg which may result in the reduced allergenicity of β-lg and its increased use in industrial applications.

Partition Coefficients of Methylated DNA Bases Obtained from Free Energy Calculations with Molecular Electron Density Derived Atomic Charges.

2018 ◽  
Author(s):  
Alejandro Lara ◽  
Maximiliano Riquelme ◽  
Esteban Vöhringer-Martinez
Keyword(s):  
Electron Density ◽  
Partition Coefficients ◽  
Dna Bases ◽  
Atomic Charges ◽  
Free Energies ◽  
Solvation Model ◽  
Minimal Basis ◽  
Methylated Dna ◽  
Implicit Solvation Model ◽  
Good Agreement

<div> <div> <div> <p>Partition coefficients serve in various areas as pharmacology and environmental sciences to predict the hydrophobicity of different substances. Recently, they have been also used to address the accuracy of force fields for various organic compounds and specifically the methylated DNA bases. In this study atomic charges were derived by different partitioning methods (Hirshfeld and Minimal Basis Iterative Stockholder) directly from the electron density obtained by electronic structure calculations in vac- uum, with an implicit solvation model or with explicit solvation taking the dynamics of the solute and the solvent into account. To test the ability of these charges to describe electrostatic interactions in force fields for condensed phases the original atomic charges of the AMBER99 force field were replaced with the new atomic charges and combined with different solvent models to obtain the hydration and chloroform solvation free energies by molecular dynamics simulations. Chloroform-water partition coefficients derived from the obtained free energies were compared to experimental and previously reported values obtained with the GAFF or the AMBER-99 force field. The results show that good agreement with experimental data is obtained when the polarization of the electron density by the solvent has been taken into account deriving the atomic charges of polar DNA bases and when the energy needed to polarize the electron den- sity of the solute has been considered in the transfer free energy. These results were further confirmed by hydration free energies of polar and aromatic amino acid side chain analogues. Comparison of the two partitioning methods Hirsheld-I and Minimal Basis Iterative Stockholder (MBIS) revealed some deficiencies in the Hirshfeld-I method related to nonexistent isolated anionic nitrogen pro-atoms used in the method. Hydration free energies and partitioning coefficients obtained with atomic charges from the MBIS partitioning method accounting for polarization by the implicit solvation model are in good agreement with the experimental values. </p> </div> </div> </div>

scholarly journals Thermodynamic and detailed kinetic study of the formation of orthophthalaldehyde-agmatine complex by fluorescence intensities

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Khémesse Kital ◽  
Moumouny Traoré ◽  
Diégane Sarr ◽  
Moussa Mbaye ◽  
Mame Diabou Gaye Seye ◽  
...  
Keyword(s):  
Complex Formation ◽  
Thermodynamic Parameters ◽  
Initial Rate ◽  
Reaction Medium ◽  
Standard Entropy ◽  
Step Size ◽  
Formation Reaction ◽  
Different Temperatures ◽  
Kinetics Of ◽  
Complex Formation Process

Abstract The aim of this work is to determine the thermodynamic parameters and the kinetics of complex formation between orthophthalaldehyde (OPA) and agmatine (AGM) in an alkaline medium (pH 13). Firstly, the association constant (Ka) between orthophthalaldehyde and agmatine was determined at different temperatures (between 298 K and 338 K) with a step size of 10 K. Secondly, the thermodynamic parameters such as standard enthalpy (ΔH°), standard entropy (ΔS°),and Gibbs energy (∆G) were calculated, where a positive value of ΔH° (+45.50 kJ/mol) was found, which shows that the reaction is endothermic. In addition, the low value of ΔS°(+0.24 kJ/mol) indicates a slight increase in the disorder in the reaction medium. Furthermore, the negative values of ΔG between −35.62 kJ/mol and −26.02 kJ/mol show that the complex formation process is spontaneous. Finally, the parameters of the kinetics of the reaction between OPA and AGM were determined as follows: when the initial concentration of AGM (5 × 10−6 M) is equal to that of the OPA, the results show that the reaction follows an overall 1.5 order kinetics with an initial rate of 5.1 × 10−7Mmin−1 and a half-life of 8.12 min. The partial order found in relation to the AGM is 0.8. This work shows that the excess of OPA accelerates the formation reaction of the complex.

scholarly journals Experimental and Numerical Buckling Analyses of Laminated Composite Plates under Temperature Effects

2010 ◽  
Vol 19 (4) ◽  
pp. 096369351001900 ◽  
Author(s):  
Emin Ergun
Keyword(s):  
Composite Plate ◽  
Numerical Solutions ◽  
Laminated Composite ◽  
Composite Plates ◽  
Buckling Load ◽  
Fibre Reinforcement ◽  
Stacking Sequence ◽  
Laminated Composite Plates ◽  
Different Temperatures ◽  
Good Agreement

The aim of this study is to investigate, experimentally and numerically, the change of critical buckling load in composite plates with different ply numbers, orientation angles, stacking sequences and boundary conditions as a function of temperature. Buckling specimens have been removed from the composite plate with glass-fibre reinforcement at [0°]i and [45°]i (i= number of ply). First, the mechanical properties of the composite material were determined at different temperatures, and after that, buckling experiments were done for those temperatures. Then, numerical solutions were obtained by modelling the specimens used in the experiment in the Ansys10 finite elements package software. The experimental and numerical results are in very good agreement with each other. It was found that the values of the buckling load at [0°] on the composite plates are higher than those of other angles. Besides, symmetrical and anti-symmetrical conditions were examined to see the effect of the stacking sequence on buckling and only numerical solutions were obtained. It is seen that the buckling load reaches the highest value when it is symmetrical in the cross-ply stacking sequence and it is anti-symmetrical in the angle-ply stacking sequence.

Temperature Dependence of Hole Impact Ionization Coefficient in 4H-SiC Photodiodes

2009 ◽  
Vol 615-617 ◽  
pp. 311-314 ◽  
Author(s):  
W.S. Loh ◽  
J.P.R. David ◽  
B.K. Ng ◽  
Stanislav I. Soloviev ◽  
Peter M. Sandvik ◽  
...  
Keyword(s):  
Phonon Scattering ◽  
Impact Ionization ◽  
Positive Temperature Coefficient ◽  
Positive Temperature ◽  
Different Temperatures ◽  
Ionization Coefficients ◽  
Increasing Temperature ◽  
The Impact ◽  
Good Agreement ◽  
Ionization Rates

Hole initiated multiplication characteristics of 4H-SiC Separate Absorption and Multiplication Avalanche Photodiodes (SAM-APDs) with a n- multiplication layer of 2.7 µm were obtained using 325nm excitation at temperatures ranging from 300 to 450K. The breakdown voltages increased by 200mV/K over the investigated temperature range, which indicates a positive temperature coefficient. Local ionization coefficients, including the extracted temperature dependencies, were derived in the form of the Chynoweth expression and were used to predict the hole multiplication characteristics at different temperatures. Good agreement was obtained between the measured and the modeled multiplication using these ionization coefficients. The impact ionization coefficients decreased with increasing temperature, corresponding to an increase in breakdown voltage. This result agrees well with the multiplication characteristics and can be attributed to phonon scattering enhanced carrier cooling which has suppressed the ionization process at high temperatures. Hence, a much higher electric field is required to achieve the same ionization rates.

scholarly journals Thermodynamic studies of substrate binding and spin transitions in human cytochrome P-450 3A4 expressed in yeast microsomes

1996 ◽  
Vol 319 (3) ◽  
pp. 675-681 ◽  
Author(s):  
Jean-Paul RENAUD ◽  
Dmitri R. DAVYDOV ◽  
Karel P. M. HEIRWEGH ◽  
Daniel MANSUY ◽  
Gaston HUI BON HOA
Keyword(s):  
Thermodynamic Parameters ◽  
Protein Interactions ◽  
Substrate Binding ◽  
Principal Component ◽  
Yeast Saccharomyces Cerevisiae ◽  
Human Cytochrome ◽  
Different Temperatures ◽  
Haem Protein ◽  
Cytochrome P 450 ◽  
Spin Transitions

An approach to the quantitative spectral analysis of substrate binding and inactivation of cytochrome P-450 in microsomes is described. The method is based on the application of the principal component analysis technique on the Soret-region spectra measured at different temperatures at various concentrations of substrate. This approach allowed us to study the thermodynamic parameters of substrate binding and spin transitions in human cytochrome P-450 3A4 expressed in yeast (Saccharomyces cerevisiae) microsomes. These parameters are discussed in comparison with the values reported earlier by Ristau et al. [(1979) Acta Biol. Med. Ger. 38, 177–185] for rabbit liver cytochrome P-450 2B4 in solution with benzphetamine as a substrate. Our analysis shows the substrate-free states of 2B4 and 3A4 to be very similar. However, substrate binding seems to perturb haem-protein interactions in 3A4 in contrast with 2B4, where the effect of substrate binding on the thermodynamic parameters of spin transitions was insignificant. The implication of the results for the mechanism of substrate-induced spin shift is discussed.

scholarly journals Calorimetric techniques applied to the thermodynamic study of interactions between proteins and polysaccharides

2016 ◽  
Vol 46 (8) ◽  
pp. 1491-1497
Author(s):  
Monique Barreto Santos ◽  
Bernardo de Sá Costa ◽  
Edwin Elard Garcia Rojas
Keyword(s):  
Differential Scanning Calorimetry ◽  
Thermodynamic Parameters ◽  
Isothermal Titration Calorimetry ◽  
Thermal Energy ◽  
Titration Calorimetry ◽  
Biological Macromolecules ◽  
Valuable Insight ◽  
Scanning Calorimetry ◽  
Temperature Scanning ◽  
Insight Into

ABSTRACT: The interactions between biological macromolecules have been important for biotechnology, but further understanding is needed to maximize the utility of these interactions. Calorimetric techniques provide information regarding these interactions through the thermal energy that is produced or consumed during interactions. Notable techniques include differential scanning calorimetry, which generates a thermodynamic profile from temperature scanning, and isothermal titration calorimetry that provide the thermodynamic parameters directly related to the interaction. This review described how calorimetric techniques can be used to study interactions between proteins and polysaccharides, and provided valuable insight into the thermodynamics of their interaction.

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