Search results for "NUMBER"
showing 10 items of 3939 documents
Structural organization of surfactant aggregates in vacuo: a molecular dynamics and well-tempered metadynamics study
2015
Experimental investigations using mass spectrometry have established that surfactant molecules are able to form aggregates in the gas phase. However, there is no general consensus on the organization of these aggregates and how it depends on the aggregation number and surfactant molecular structure. In the present paper we investigate the structural organization of some surfactants in vacuo by molecular dynamics and well-tempered metadynamics simulations to widely explore the space of their possible conformations in vacuo. To study how the specific molecular features of such compounds affect their organization, we have considered as paradigmatic surfactants, the anionic single-chain sodium …
Electrospray ion mobility mass spectrometry of positively and negatively charged (1R,2S)-dodecyl(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium br…
2015
Rationale Self-assembling processes of surfactants in the gas phase constitute a developing research field of interest since they allow information to be gained on the peculiar structural organization of these aggregates, on their ability to incorporate from small molecules up to proteins and on their possible use as carriers of drugs in the gas phase or as cleaning agents and exotic reaction media. Methods The mass spectra of charged aggregates of the chiral surfactant (1R,2S)-dodecyl(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide (DMEB) in the gas phase have been recorded using a Synapt G2-Si mass spectrometer in the positive and negative ion mode. For comparison purposes, the …
Small angle scattering study of poly(methylmethacrylate)-blockpoly(ethylene oxide) block co-polymer in aqueous solution
2005
A combined Small Angle X ray (SAXS) and Neutron (SANS) Scattering study of aqueous solutions of a symmetric block copolymer consisting of poly(methyl methacrylate) (PMMA) and poly(ethylene oxide) (PEO) moieties is presented. The polymer forms slightly polydisperse spherical micelles in a wide range of concentration (0.03 – 6.7 w/V) and temperature (20°C ≤ T ≤ 65°C). A good description of the SANS data is obtained using a polydisperse core-shell model with a structure factor for a modified hard sphere potential. By increasing the concentration at constant T we observed a decrease of the aggregation number and an increase of solvation of PEO groups in the shell, opposite to what happens by in…
Structure and Shear Response of Janus Colloid–Polymer Mixtures in Solution
2020
We investigate the structure and rheological properties of dilute colloid-polymer mixtures at rest and under shear via molecular simulations that take into account hydrodynamic interactions. Mixtures of amphiphilic Janus colloids (JCs) and hydrophobic/amphiphilic polymers are considered for various solvent qualities and polymer concentrations. Free polymers, small polymer droplets, and hybrid aggregates coexist in mixtures with slightly hydrophobic homopolymers. As the solvent quality worsens, all polymers aggregate into small droplets, covered and stabilized by the JCs. In mixtures with amphiphilic polymers, we observe the coexistence of free polymers, purely polymeric micelles, and hybrid…
Spatially ordered surfactant assemblies in the gas phase: negatively charged bis(2-ethylhexyl)sulfosuccinate-alkaline metal ion aggregates
2009
The formation and structural features of negatively charged aggregates of sodium bis(2-ethylhexyl)sulfosuccinate (AOTNa) surfactant molecules in the gas phase have been investigated by electrospray ionization mass spectrometry (ESI-MS) and density functional theory calculations. Mainly driven by the interactions of alkali metal ions both with the oxygen atoms of the sulfonate group and with the succinate moiety of the AOT− anion, spatially ordered supramolecular assemblies, characterized by an internal core composed of surfactant counterions and hydrophilic head groups surrounded by the surfactant alkyl chains pointing outwards, are formed. Calculations have shown that surfactant self-organ…
Acidic Ionic Liquids as Composite Forming Additives for Ion-conducting Materials
2013
This paper represents the material conductivity investigation of several AILs (Acidic Ionic Liquids) containing an alkane sulfonic acid group covalently bonded to pyridine and N–alkylimidazole cations. Three different anions (HSO4-, H2PO4- and TsO-) have been introduced in the structure of ionic liquids to evaluate the impact of this factor on material conductivity. Ion conductivity values in all studied ionic liquids obtained from impedance measurements in temperature range from 20 to 120 °C. Values of electroconductivity depending on ionic liquid's structure vary in rage from 1.3410−5 to 1.0510−2 S/cm at 25 °C.
Structural and Transport Properties of Bola C-16 Micelles in Water and in Aqueous Electrolyte Solutions
2003
Aqueous solutions containing a bolaform surfactant [R,ω-(4,7,10,13-pentaoxa-16-azacyclooctadecane)- hexadecane], with and without electrolytes have been investigated as a function of surfactant concentration and ionic strength. Small angle neutron scattering (SANS), NMR self-diffusion, and other physical-chemical methods were used. From the analysis of SANS data it was inferred that in water the surfactant forms slightly charged ellipsoidal micelles, because of the partial hydrolysis of amino groups. The aggregates grow with the increase of concentration, becoming more elongated. Due to the selective complexing ability of aza crown ether units, significant differences were observed upon add…
Species-specific aggregation factor in sponges : VIII. Nature and alteration of cell surface charge.
1977
Isolated cells from the siliceous spongeGeodia cydonium have been studied with respect to their partition behaviour in a two-phase aqueous polymer system. With this method it is possible to determine subtle changes in the cell surface charge. Addition of a homologous aggregation factor to the isolated cells lowers the partition rate, a finding which indicates that after binding of the aggregation factor to the cells their surface charge is reduced. The partition rate of the cells is strongly correlated with their content of membranebound sialic acid. Sixty-nine percent of the total, membrane-bound hexuronic acid is associated with the aggregation receptor; 1.8×107 aggregation receptor molec…
Consequences of linking charged and uncharged monomers to binary copolymers studied in dilute solution. Part II: Non-additivity effects in the viscom…
2017
Abstract Copolymers of ethylene oxide (EO) and N,N-dimethyl aminoethyl methacrylate (R) or [2-(methacryloyloxy)ethyl] trimethylammonium iodide (R+) were studied in dilute solution: P ( EO p – b – R n ) ( I ) , P(Rn(1−f) – ran – R+n f) ( II ) , and P ( EO p – b – R n + ) ( III ) ; n and p give the numbers of monomers and f is the degree of charging. For II (variable f) and III (variable n) the effects of charging on the intrinsic viscosities [η] are well described by Boltzmann sigmoids. The deviation of [ η ] from [ η ] add (calculated from the corresponding homopolymer data, assuming additivity of the individual contributions) are quantified by σ = [ η ] / [ η ] add - 1 measuring the segreg…
Alkyl- and aryl-substituted corroles. 4. Solvent effects on the electrochemical and spectral properties of cobalt corroles.
2003
Solvent effects on the electrochemistry and spectroscopic properties of alkyl- and aryl-substituted corroles in nonaqueous media are reported. The oxidation and reduction of six compounds containing zero to seven phenyl or substituted phenyl groups on the macrocycle were studied in four different nonaqueous solvents (CH(2)Cl(2), PhCN, THF, and pyridine) containing 0.1 M tetra-n-butylammonium perchlorate. Dimers were formed upon oxidation of all corroles in CH(2)Cl(2), but this was not the case in the other three solvents, where either monomers or dimers were formed upon oxidation depending upon the solvent Gutmann donor number and the number or location of aryl substituents on the macrocycl…