Search results for "Salt"

Interactions Between Blood Proteins and Nanoparticles Investigated Using Molecular Dynamics Simulations

2019

In the development of new therapeutic agents based on nanoparticles it is of fundamental importance understanding how these substances interact with the underlying biological milieu. Our research is focussed on simulating in silico these interactions using accurate atomistic models, and gather from these information general pictures and simplified models of the underlying phenomena. Here we report results about the interactions of blood proteins with promising hydrophilic polymers used for the coating of therapeutic nanoparticles, about the salt dependent behavior of one of these polymers (poly-(ethylene glycol)) and about the interactions of blood proteins with silica, one of the most used…

Decoupling of Dynamic Processes in Surfactant-Based Liquid Mixtures: The Case of Lithium-Containing Bis(2- ethylhexyl)phosphoric Acid/Bis(2-ethylhexy…

2014

Pure surfactant liquids and their binary mixtures, because of the amphiphilic nature of the molecules involved, can exhibit nanosegregation and peculiar transport properties. The idea that inspired this work is that the possibility of including in such media salts currently used for technological applications should lead to a synergy between the properties of the salt and those of the medium. Therefore, the dynamic features of bis(2-ethylhexyl)amine (BEEA) and bis(2-ethylhexyl)phosphoric acid (HDEHP) liquid mixtures were investigated as a function of composition and temperature by (1)H nuclear magnetic resonance (NMR) spectroscopy and rheometry. Inclusion of litium trifluoromethanesulfonate…

Distribution and mobility of phosphates and sodium ions in cheese by solid-state 31 P and double-quantum filtered 23 Na NMR spectroscopy

2010

The feasibility of solid-state magic angle spinning (MAS) (31)P nuclear magnetic resonance (NMR) spectroscopy and (23)Na NMR spectroscopy to investigate both phosphates and Na(+) ions distribution in semi-hard cheeses in a non-destructive way was studied. Two semi-hard cheeses of known composition were made with two different salt contents. (31)P Single-pulse excitation and cross-polarization MAS experiments allowed, for the first time, the identification and quantification of soluble and insoluble phosphates in the cheeses. The presence of a relatively 'mobile' fraction of colloidal phosphates was evidenced. The detection by (23)Na single-quantum NMR experiments of all the sodium ions in t…

Competing salt effects on phase behavior of protein solutions: tailoring of protein interaction by the binding of multivalent ions and charge screeni…

2014

The phase behavior of protein solutions is affected by additives such as crowder molecules or salts. In particular, upon addition of multivalent counterions, a reentrant condensation can occur; i.e., protein solutions are stable for low and high multivalent ion concentrations but aggregating at intermediate salt concentrations. The addition of monovalent ions shifts the phase boundaries to higher multivalent ion concentrations. This effect is found to be reflected in the protein interactions, as accessed via small-angle X-ray scattering. Two simulation schemes (a Monte Carlo sampling of the counterion binding configurations using the detailed protein structure and an analytical coarse-grain…

CHEMICAL INDUCTION OF PHYTOALEXIN SYNTHESIS IN GRAPEVINES: APPLICATION TO THE CONTROL OF GREY MOULD IN THE VINEYARD

2000

Aggregation processes of perylene bisimide diimidazolium salts

2015

The supramolecular aggregation of three diimidazolium- functionalized perylene bisimides, differing in the alkyl chain length was investigated. These salts form aggregates in solvents like chloroform, dichloromethane, and glycerol. Solvent-, concentration-, and temperature-dependent spectroscopic studies were carried out, evidencing the occurrence of an isodesmic, enthalpy-driven aggregation process, underpinned by p–p stacking and hydrogen bonding. Moreover, dynamic light scattering (DLS) measurements and SEM images revealed that these salts aggregate in chloroform into elongated structures.

Self-assembly of fluorescent diimidazolium salts: tailor properties of the aggregates changing alkyl chain features

2016

Searching for new fluorescent organic salts to be used in biomedical and electrochemical field, we conjugated properties of imidazolium salts with the ones of naphthalene diimide core and we obtained some N,N′-bis-(1-alkyl-3-propylimidazolium)naphthalene diimide diiodides. We took into account alkyl chains going from hexyl to dodecyl, as well as hydrogenated and fluorinated alkyl tails. After determination of their thermal behaviour by differential scanning calorimetry, concentration-, and temperature-dependent spectroscopic studies (UV-vis and fluorescence) were performed evidencing the occurrence of isodesmic and enthalpy-driven self-assembly processes. Properties of aggregates were also …

2-(4-Fluorophenyl)-1-(4-pyridyl)cyclopentan-1-ol

2007

The crystal structure of the title compound, C16H16FNO, was determined as part of a study of the biological activity of pyridine-substituted cyclo­pentene derivatives as p38 mitogen-activated protein kinase (MAPK) inhibitors. The 4-fluoro­phenyl and 4-pyridyl rings are trans positioned with respect to each other. The compound exists as a racemic mixture. The synthesis was achieved via direct inter­action between the reactive complex Grignard reagent PyMgCl·LiCl and the enolizable ketone 4-fluoro­phenyl­cyclo­penta­none with the assistance of the neodymium salt catalyst NdCl3·2LiCl. The crystal packing is characterized by zigzag chains of mol­ecules, which are connected by O—H⋯N hydrogen bon…

Single-Component Polymerization Catalysts for Ethylene and Styrene:  Synthesis, Characterization, and Reactivity of Alkyl and Hydrido Yttrium Complex…

1999

Yttrium alkyl complexes Y(η5:η1-C5Me4SiMe2NCMe2R)(CH2SiMe3)(THF) (R = Me, Et) and Y(η5:η1-C9H6SiMe2NCMe3)(CH2SiMe3)(THF) can be prepared in high yields by a σ-bond metathesis reaction between Y(CH2SiMe3)3(THF)2 and amino-functionalized cyclopentadienes or indene. The structure of Y(η5:η1-C5Me4SiMe2NCMe2Et)(CH2SiMe3)(THF) was shown by single-crystal X-ray diffraction to be that of a three-legged piano stool. Reaction of Y(CH2SiMe3)3(THF)2 with the tridentate linked amido−cyclopentadienyl ligands (C5Me4H)SiMe2NHR (R = CH2CH2OMe, CH2CH2NMe2, CH2CH2CH2OMe, CMe2CH2OMe), which contain an additional donor site, results in the cleavage of the silicon−cyclopentadienyl bond and the formation of the t…

Open Cell Al-Si Foams by a Sintering and Dissolution Process

2014

Open cell foams from AlSi12 alloy were successfully fabricated by the Sintering and Dissolution Process, using NaCl as space holder (60 %). The size of the aluminum alloy powder is less than 45 μm, while the space holder powder size is 315-500 μm, 630-800 μm and 800-1250 μm respectively. The appropriate quantities of alloy powder and salt were mixed and cold pressed at 250 MPa. The sintering process was done at 500 °C and 545 °C, in vacuum (10-5 torr) for 10, 20 and 30 minutes respectively. The space holder was eliminated by holding the sintered samples in running hot water (70 °C). After the salt was dissolved, the samples were dried and the mass loss was analyzed. Keywords: Aluminum foam…