The Experts below are selected from a list of 5754 Experts worldwide ranked by ideXlab platform
M. Thomassin - One of the best experts on this subject based on the ideXlab platform.
-
Role of the magnesium cation on antihypertensive Molecule-human serum albumin binding: affinity chromatography approach.
Journal of Chromatography B - Analytical Technologies in the Biomedical and Life Sciences, 2002Co-Authors: Y. C. Guillaum, J F Robert, L. Nicod, T. Truong-thanh, C. Guinchard, M. ThomassinAbstract:The role of the Mg2+ cation on antihypertensive Molecule binding on human serum albumin (HSA) was studied by affinity chromatography. The thermodynamic data corresponding to this binding were determined for a wide range of Mg2+ concentrations (c). For the nifedipine Molecule, an increase in the Mg2+ concentration produced a decrease in binding due to a decrease in the electrostatic interactions. For verapamil and diltiazem, which have the highest solvent accessible surface area, the Solute binding on HSA was divided into two Mg2+ concentration regions. For a low c value below c(c) (approximately 1.6 mmol/l), the binding dependence with c was similar to that of nifedipine. For c above c(c) the hydrophobic effect created in the bulk solvent associated with a decrease in the van der Waals interactions between the Solute Molecule and the HSA implied a decrease in its binding. These results showed that for patients with hypertension, an Mg2+ supplementation during treatment with these antihypertensive Molecules can increase the active pharmacological Molecule concentration.
-
role of the magnesium cation on antihypertensive Molecule human serum albumin binding affinity chromatography approach
Journal of Chromatography B: Biomedical Sciences and Applications, 2002Co-Authors: Yves Claude Guillaume, J F Robert, L. Nicod, C. Guinchard, T Truongthanh, M. ThomassinAbstract:The role of the Mg 2+ cation on antihypertensive Molecule binding on human serum albumin (HSA) was studied by affinity chromatography. The thermodynamic data corresponding to this binding were determined for a wide range of Mg 2+ concentrations (c). For the nifedipine Molecule, an increase in the Mg 2 concentration produced a decrease in binding due to a decrease in the electrostatic interactions. For verapamil and diltiazem, which have the highest solvent accessible surface area, the Solute binding on HSA was divided into two Mg 2 concentration regions. For a low c value below c c (1.6 mmol/l), the binding dependence with c was similar to that of nifedipine. For c above c c the hydrophobic effect created in the bulk solvent associated with a decrease in the van der Waals interactions between the Solute Molecule and the HSA implied a decrease in its binding. These results showed that for patients with hypertension, an Mg 2+ supplementation during treatment with these antihypertensive Molecules can increase the active pharmacological Molecule concentration.
Valentin Paul Nicu - One of the best experts on this subject based on the ideXlab platform.
-
the importance of large amplitude motions for the interpretation of mid infrared vibrational absorption and circular dichroism spectra 6 6 dibromo 1 1 binaphthalene 2 2 diol in dimethyl sulfoxide
Journal of Physical Chemistry A, 2014Co-Authors: Mojgan Heshmat, Prasad L Polavarapu, E J Baerends, Valentin Paul NicuAbstract:Using the 6,6′-dibromo-[1,1′-binaphthalene]-2,2′-diol Molecule and its vibrational absorption (VA) and vibrational circular dichroism (VCD) spectra measured in deuterated dimethyl sulfoxide as example, we present a first detailed study of the effects induced in VCD spectra by the large-amplitude motions of solvent Molecules loosely bound to a Solute Molecule. We show that this type of perturbation can induce significant effects in the VA and VCD spectra. We also outline a computational procedure that can effectively model the effects induced in the spectra and at the same time provide detailed structural information regarding the relative orientations of moieties involved in a Solute–solvent molecular complex.
-
understanding solvent effects in vibrational circular dichroism spectra 1 1 binaphthalene 2 2 diol in dichloromethane acetonitrile and dimethyl sulfoxide solvents
Journal of Physical Chemistry A, 2012Co-Authors: Valentin Paul Nicu, E J Baerends, Prasad L PolavarapuAbstract:We present a combined experimental and computational investigation of the vibrational absorption (VA) and vibrational circular dichroism (VCD) spectra of [1,1′-binaphthalene]-2,2′-diol. First, the sensitive dependence of the experimental VA and VCD spectra on the solvent is demonstrated by comparing the experimental spectra measured in CH2Cl2, CD3CN, and DMSO-d6 solvents. Then, by comparing calculations performed for the isolated Solute Molecule to calculations performed for molecular complexes formed between Solute and solvent Molecules, we identify three main types of perturbations that affect the shape of the VA and VCD spectra when going from one solvent to another. These sources of perturbations are (1) perturbation of the Boltzmann populations, (2) perturbation of the electronic structure, and (3) perturbation of the normal modes.
Prasad L Polavarapu - One of the best experts on this subject based on the ideXlab platform.
-
the importance of large amplitude motions for the interpretation of mid infrared vibrational absorption and circular dichroism spectra 6 6 dibromo 1 1 binaphthalene 2 2 diol in dimethyl sulfoxide
Journal of Physical Chemistry A, 2014Co-Authors: Mojgan Heshmat, Prasad L Polavarapu, E J Baerends, Valentin Paul NicuAbstract:Using the 6,6′-dibromo-[1,1′-binaphthalene]-2,2′-diol Molecule and its vibrational absorption (VA) and vibrational circular dichroism (VCD) spectra measured in deuterated dimethyl sulfoxide as example, we present a first detailed study of the effects induced in VCD spectra by the large-amplitude motions of solvent Molecules loosely bound to a Solute Molecule. We show that this type of perturbation can induce significant effects in the VA and VCD spectra. We also outline a computational procedure that can effectively model the effects induced in the spectra and at the same time provide detailed structural information regarding the relative orientations of moieties involved in a Solute–solvent molecular complex.
-
understanding solvent effects in vibrational circular dichroism spectra 1 1 binaphthalene 2 2 diol in dichloromethane acetonitrile and dimethyl sulfoxide solvents
Journal of Physical Chemistry A, 2012Co-Authors: Valentin Paul Nicu, E J Baerends, Prasad L PolavarapuAbstract:We present a combined experimental and computational investigation of the vibrational absorption (VA) and vibrational circular dichroism (VCD) spectra of [1,1′-binaphthalene]-2,2′-diol. First, the sensitive dependence of the experimental VA and VCD spectra on the solvent is demonstrated by comparing the experimental spectra measured in CH2Cl2, CD3CN, and DMSO-d6 solvents. Then, by comparing calculations performed for the isolated Solute Molecule to calculations performed for molecular complexes formed between Solute and solvent Molecules, we identify three main types of perturbations that affect the shape of the VA and VCD spectra when going from one solvent to another. These sources of perturbations are (1) perturbation of the Boltzmann populations, (2) perturbation of the electronic structure, and (3) perturbation of the normal modes.
Jeanmichel Saveant - One of the best experts on this subject based on the ideXlab platform.
-
activation and diffusion in the kinetics of adsorption and molecular recognition on surfaces enzyme amplified electrochemical approach to biorecognition dynamics illustrated by the binding of antibodies to immobilized antigens
Journal of the American Chemical Society, 1999Co-Authors: Christian Bourdillon, Christophe Demaille, Jacques Moiroux, Jeanmichel SaveantAbstract:An electrochemical method is proposed for investigating the dynamics of recognition between a bioMolecule and an immobilized receptor. It involves redox labeling of the Solute Molecule and monitoring the binding by the electrochemical response of the electrode onto which the receptor is immobilized. With large bioMolecules, as, for example, antigens and antibodies, leading to small surface concentrations, simple redox labeling may prove insufficient to obtain detectable responses. Redox enzymes are then advantageously used as labels thanks to the signal amplification offered by their catalytic properties. The applicability of the method is illustrated by the reaction of an immobilized monolayer of goat IgG antigen (or of one Fab fragment) with an antigoat antibody labeled with glucose oxidase. Particular care is taken to free the kinetic data from the effect of diffusion. The latter factor may interfere whatever the detection technique. A full account of the combination between recognition kinetics and di...
-
activation and diffusion in the kinetics of adsorption and molecular recognition on surfaces enzyme amplified electrochemical approach to biorecognition dynamics illustrated by the binding of antibodies to immobilized antigens
Journal of the American Chemical Society, 1999Co-Authors: Christian Bourdillon, Christophe Demaille, Jacques Moiroux, Jeanmichel SaveantAbstract:An electrochemical method is proposed for investigating the dynamics of recognition between a bioMolecule and an immobilized receptor. It involves redox labeling of the Solute Molecule and monitori...
Y. C. Guillaum - One of the best experts on this subject based on the ideXlab platform.
-
Role of the magnesium cation on antihypertensive Molecule-human serum albumin binding: affinity chromatography approach.
Journal of Chromatography B - Analytical Technologies in the Biomedical and Life Sciences, 2002Co-Authors: Y. C. Guillaum, J F Robert, L. Nicod, T. Truong-thanh, C. Guinchard, M. ThomassinAbstract:The role of the Mg2+ cation on antihypertensive Molecule binding on human serum albumin (HSA) was studied by affinity chromatography. The thermodynamic data corresponding to this binding were determined for a wide range of Mg2+ concentrations (c). For the nifedipine Molecule, an increase in the Mg2+ concentration produced a decrease in binding due to a decrease in the electrostatic interactions. For verapamil and diltiazem, which have the highest solvent accessible surface area, the Solute binding on HSA was divided into two Mg2+ concentration regions. For a low c value below c(c) (approximately 1.6 mmol/l), the binding dependence with c was similar to that of nifedipine. For c above c(c) the hydrophobic effect created in the bulk solvent associated with a decrease in the van der Waals interactions between the Solute Molecule and the HSA implied a decrease in its binding. These results showed that for patients with hypertension, an Mg2+ supplementation during treatment with these antihypertensive Molecules can increase the active pharmacological Molecule concentration.