Search results for "Interaction"
showing 10 items of 5710 documents
Biophysical approaches for the study of metal-protein interactions
2019
Protein-protein interactions play important roles for a variety of cell functions, often involving metal ions; in fact, metal-ion binding mediates and regulates the activity of a wide range of biomolecules. Enlightening all of the specific features of metal-protein and metal-mediated protein-protein interactions can be a very challenging task; a detailed knowledge of the thermodynamic and spectroscopic parameters and the structural changes of the protein is normally required. For this purpose, many experimental techniques are employed, embracing all fields of Analytical and Bioinorganic Chemistry. In addition, the use of peptide models, reproducing the primary sequence of the metal-binding …
Synthesis, characterization, and complexation of tetraarylborates with aromatic cations and their use in chemical sensors.
2005
Five aromatic borate anions, namely tetrakis(4-phenoxyphenyl)borate (1), tetrakis(biphenyl)borate (2), tetrakis(2-naphthyl)borate (3), tetrakis(4-phenylphenol)borate (4), and tetrakis(4-phenoxy)borate (5), have been prepared and tested as ion-recognition sites in chemical sensors for certain aromatic cations and metal ions. To gain further insight into the complexation of the cations, some complexes have been prepared and structurally characterized. The complexation behavior of 1 and 2 towards N-methylpyridinium (6), 1-ethyl-4-(methoxycarbonyl)pyridinium (7), tropylium (8), imidazolium (9), and 1-methylimidazolium (10) cations has been studied, and the stability constants of the complexes o…
Synthesis and structural studies on Ni(II) dithiocarbamates : Exploring intramolecular Ni···H-C interactions
2017
Abstract Five new Ni(II) dithiocarbamates with NiS4, NiS2PN and NiS2PCl coordination spheres, viz. [Ni(bupmbzdtc)2] (1), [Ni(bupmbzdtc)(PPh3)(NCS)] (2), [Ni(bupmbzdtc)(PPh3)Cl] (3), [Ni(4-dpmpzdtc)(PPh3)Cl] (4) and [Ni(pbbzbudtc)(PPh3)(NCS)] (5), where bupmbzdtc = N-butyl(p-methylbenzyl)dithiocarbamato anion, 4-dpmpzdtc = 4-(diphenylmethyl)piperazinecarbodithioato anion, pbbzbudtc = N-(p-bromobenzyl)butyl-dithiocarbamato anion and PPh3 = triphenylphosphine, were synthesized and characterized by UV, IR, NMR and single crystal X-ray diffraction methods. Spectral results suggest a square planar geometry around the Ni(II) metal center for all the synthesized complexes. Single crystal X-ray stru…
Carbamate Linker Strategy in Solid-Phase Synthesis of Amino-Functionalized Glycoconjugates for Attachment to Solid Surfaces and Investigation of Prot…
2009
Amino-functionalized serine-based galactose and glucose neoglycolipids were prepared by solid-phase synthesis using a carbamate strategy for anchoring amino functionalities to a (2-fluoro-4-hydroxy ...
Speciation of chitosan-phosphate and chitosan-nucleotide systems in an NaCl aqueous solution
2010
AbstractThe speciation of chitosan (310 kDa) with organic (adenosine 5’-monophosphate, AMP, and adenosine 5’-triphosphate, ATP), and inorganic phosphorus containing ligands (phosphate and pyrophosphate) was investigated in NaCl aqueous solutions at I = 0.1mol L−1 and T = 25°C. For all the systems, the investigated results obtained gave evidence for the formation of (chitosan)LHi complex species (L = nucleotides, phosphate and pyrophosphate; i = 1 to 4, but for AMP, i = 1 to 3). The stability data of complex species were used to calculate the sequestering ability of chitosan towards phosphorus compounds considered here, expressed as pL50 i.e., – log(total chitosan concentration) necessary to…
Modelling of natural synthetic polyelectrolyte interactions in natural waters by using SIT, Pitzer and Ion Pairing approaches
2006
Abstract In this paper SIT and Pitzer models are used for the first time to describe the interactions of natural and synthetic polyelectrolytes in natural waters. Measurements were made potentiometrically at 25 °C in single electrolyte media, such as Et 4 NI and NaCl (for fulvic acid 0.1 − 1 S single salt ” BA, with cation B and anion A representing all the major cations (Na + , K + , Mg 2+ , Ca 2+ ) and anions (Cl − , SO 4 2− ) in natural sea water, respectively. The ion pair formation model was also applied to fulvate and alginate in artificial sea water by examining the interaction of polyanions with the single sea water cation. Results were compared with those obtained from previous sp…
The role of pH on instability and aggregation of sickle hemoglobin solutions
2004
Understanding the physical basis of protein aggregation covers strong physical and biomedical interests. Sickle hemoglobin (HbS) is a point-mutant form of normal human adult hemoglobin (HbA). It is responsible for the first identified "molecular disease," as its propensity to aggregation is responsible for sickle cell disease. At moderately higher than physiological pH value, this propensity is inhibited: The rate of aggregate nucleation becomes exceedingly small and solubility after polymerization increases. These order-of-magnitude effects on polymer nucleation rates and concurrent relatively modest changes of solubility after polymerization are here shown to be related to both pH-induced…
1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts?
2008
Isochoric and isobaric freezing of 1,1-dichloroethane, CH3CHCl2, mp = 176.19 K, yielded the orthorhombic structure, space group Pnma, with the fully ordered molecules, in the staggered conformation, located on mirror planes. The CH3CHCl2 ambient-pressure (0.1 MPa) structures were determined at 160 and 100 K, whereas the 295 K high-pressure structures were determined at 0.59 and 1.51 GPa. At 0.1 MPa, all intermolecular distances are considerably longer than the sums of the van der Waals radii, and only a pressure of about 1.5 GPa squeezed the Cl···Cl and Cl···H contacts to distances commensurate with these sums. The exceptionally large difference between the melting points of isomeric 1,1- a…
Understanding Noncovalent Interactions of Small Molecules with Carbon Nanotubes
2017
We combine experimental methods, density functional theory (DFT) calculations, and molecular dynamics (MD) simulations in the quantitative analysis of noncovalent interactions between (6,5)-enriched single-walled carbon nanotubes (SWNTs), as hosts, and a set of pyrene derivatives with different electronic properties and surface areas, as guests. The experiments and calculations were carried out in two solvents with markedly different polarities, namely 1,1',2,2'-tetrachloroethane (TCE) and N,N-dimethylformamide (DMF). Our results show that dispersion forces govern the supramolecular association of small molecules with (6,5)-SWNTs, with negligible contributions from ground-state charge-trans…
A minimal hydrophobicity is needed to employ amphiphilic p(HPMA)-co-p(LMA) random copolymers in membrane research.
2014
Because a polymer environment might be milder than a detergent micelle, amphiphilic polymers have attracted attention as alternatives to detergents in membrane biochemistry. The polymer poly[N-(2-hydroxypropyl)-methacrylamid] [p(HPMA)] has recently been modified with hydrophobic lauryl methacrylate (LMA) moieties, resulting in the synthesis of amphiphilic p(HPMA)-co-p(LMA) polymers. p(HPMA)-co-p(LMA) polymers with a LMA content of 5 or 15% have unstable hydrophobic cores. This, on one hand, promotes interactions of the hydrophobic LMA moieties with membranes, resulting in membrane rupture, but at the same time prevents formation of a hydrophobic, membrane mimetic environment that is suffici…