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Markus Nilsson

Publications and source records attributed to Markus Nilsson.

8 recordsLinked to original sources

Interactions between gemini surfactants, 12-s-12, and beta-cyclodextrin as investigated by NMR diffusometry and electric conductometry.

The interaction between beta-cyclodextrin (CD) and gemini surfactant of the type alkyl-alpha,omega-bis(dodecyldimethylammonium bromide) with different spacer lengths of 2, 8, and 10 carbons has been investigated by means of electric conductivity (EC) and proton self-diffusion NMR at 298 K. The formation of a 2:1 (CD:gemini) complex in a two-step mechanism is observed with the first association constant (K(11)) higher than the second one (K(21)), but both relatively small in comparison with single C(12)-tailed surfactant. The value of the association constants increased with spacer length both for the first and second associated CD, which indicates that the available space on the gemini molecule is important. The magnitudes of the association constant both for the first and second complexation are discussed. The first association constant is small (when compared with the homologous single-chain surfactant) due to hydrophobic interaction between the hydrocarbon tails within the gemini molecule, while the second association constant shows no cooperativity and its magnitude is discussed in terms of steric constrains.

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NMR diffusometry and conductometry study of the host-guest association between beta-cyclodextrin and dodecane 1,12-bis(trimethylammonium bromide).

Surfactants form association complexes with cyclodextrins. In the present investigation we have used NMR-diffusometry and electrical conductivity to follow the interactions which take place between beta-cyclodextrin and a bolaform surfactant: dodecane 1,12-bis(trimethylammonium bromide). Both (1)H NMR self-diffusion and conductometry data indicate the formation of a 1:1 inclusion complex. Assuming this stoichiometry, it was possible to calculate the association constant; from the analysis of the self-diffusion coefficients of free beta-cyclodextrin and the bolaform surfactant an association constant K=3x10(3)M(-1) was obtained while the analysis of conductivity data gave a comparable value of K=2.5x10(3)M(-1).

Journal Article↗

Clinical decision-support for diagnosing stress-related disorders by applying psychophysiological medical knowledge to an instance-based learning system.

OBJECTIVE: An important procedure in diagnosing stress-related disorders caused by dysfunction in the interaction of the heart with breathing, i.e., respiratory sinus arrhythmia (RSA), is to analyse the breathing first and then the heart rate. Analysing these measurements is a time-consuming task for the diagnosing clinician. A decision-support system in this area would reduce the analysis task of the clinician and enable him/her to give more attention to the patient. We have created a decision-support system which contains a signal classifier and a pattern identifier. The system performs an analysis of the physiological time series concerned which would otherwise be performed manually by the clinician. METHODS: The signal-classifier, HR3Modul, classifies heart-rate patterns by analysing both cardio- and pulmonary signals, i.e., physiological time series. HR3Modul uses case-based reasoning (CBR), using a wavelet-based method for retrieving features from the signals. The system searches for familiar shapes in the signals by comparing them with shapes already stored. We have applied a best fit scheme for handling signals of different lengths, as the length of a breath is highly dynamic. We also apply automatic weighting to the features to obtain a more autonomous system. The classified heart signals indicate if a patient may be suffering from a stress-related disorder and the nature of the disorder. These classified signals are thereafter sent to the second subsystem, the pattern-identifier. The pattern-identifier analyses the classified signals and searches for familiar patterns by identifying sequences in the classified signals. The identified sequences give clinicians a more complete analysis of the measurements, providing them with a better basis for diagnosis. RESULTS AND CONCLUSION: We have shown that a case-based classifier with a wavelet feature extractor and automatic weighting is a viable option for building a decision-support system for the psychophysiological domain, as it is at par, or even outperforms other retrieval techniques and is less complex.

Algorithms↗

Self-diffusion NMR studies of the host-guest interaction between beta-cyclodextrin and alkyltrimethylammonium bromide surfactants.

Diffusion measurements by nuclear magnetic resonance (NMR) spectroscopy were used to investigate the host-guest association between beta-cyclodextrin (CD) and alkyltrimethylammonium bromide surfactants with different chain lengths, ranging from 6 up to 16 carbons. The scope and limitations of the method in the study of formation of inclusion complexes are discussed. The influences of the presence of CD in the micellization process have been studied, and the apparent critical micellar concentration and the self-diffusion coefficients of the species present in the systems have been calculated. The stoichiometries of the different complexes have been determined. Evidence for the formation of a 2:1 complex in the case of C(16)TAB has been found.

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Physicochemical characterization of PEG1500-12-acyloxy-stearate micelles and liquid crystalline phases.

PEG 12-acyloxy-stearates are used as drug delivery carriers that have low cell damage effects. The mechanical and physical properties surrounding these processes and surfactants are still however not known. In this study, the physicochemical micellar properties of PEG 12-acyloxy-stearates were characterized by optical microscopic, nuclear magnetic resonance, and small-angle X-ray scattering techniques. We determined the phase diagrams of the surfactants as a function of surfactant concentration and temperature, the micellar size and shape, and micellar dynamics. We found that each surfactant has a micellar, cubic Im3m, and hexagonal phase. The aggregation number in the discrete cubic phase, as determined by small-angle X-ray scattering, was approximately 150 for each surfactant, and showed no measurable chain-length dependence. The diffusion coefficients of the surfactant showed a discontinuity between the micellar and cubic phases, where the cubic phases gave very low values on the order of 10(-)(16) m(2) s(-)(1): this value indicates a non-bicontinuous cubic structure. In summary, these surfactants behave to a large extent as nonionic poly(ethylene glycol) surfactants with extended PEG headgroups.

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The water/n-octane/octyl-beta-D-glucoside/1-octanol system: phase diagrams and phase properties.

The partial phase diagram of D2O/n-octyl-beta-D-alkyl-glucoside(C8G1)/n-octane has been determined at T=25 degrees C. The diagram contains a funnel-shaped micellar phase originating from the water corner of the phase diagram D2O/C8G1 with the stem forming a narrow three-phase region, in which the three phases in equilibrium are two microemulsions of similar composition and an excess oil phase. The microemulsions have been characterized with NMR self-diffusion measurements. At high surfactant concentration and no or low n-octane content, branched micelles exist. As the n-octane content is increased, discrete micelles are formed. Upon further addition of n-octane, the phase separation into two microemulsion phases is induced. Possible mechanisms causing the phase separation are discussed. The phase diagram of D2O/(C8G1)/1-octanol has been determined at 25 degrees C. Ten different phase regions were identified. The phases have been characterized with SAXS and deuterium heavy water NMR, and the swelling of the lamellar phase was investigated with SAXS.

Journal Article↗

Small-angle X-ray scattering, light scattering, and NMR study of PEO-PPO-PEO triblock copolymer/cationic surfactant complexes in aqueous solution.

The formation of triblock copolymer/surfactant complexes upon mixing a nonionic Pluronic polymer (PEO-PPO-PEO) with a cationic surfactant, hexadecyltrimethylammonium chloride (CTAC), has been studied in dilute aqueous solutions using small-angle X-ray scattering, static and dynamic light scattering, and self-diffusion NMR. The studied copolymer (denoted P123, EO(20)PO(68)EO(20)) forms micelles with a radius of 10 nm and a molecular weight of 7.5 x 10(5), composed of a hydrophobic PPO-rich core of radius 4 nm and a water swollen PEO corona. The P123/CTAC system has been investigated between 1 and 5 wt % P123 and with varying surfactant concentration up to approximately 170 mM CTAC (or a molar ratio n(CTAC)/n(P123) = 19.3). When CTAC is mixed with micellar P123 solutions, two different types of complexes are observed at various CTAC concentrations. At low molar ratios (>/=0.5) a "P123 micelle-CTAC" complex is obtained as the CTAC monomers associate noncooperatively with the P123 micelle, forming a spherical complex. Here, an increased interaction between the complexes with increasing CTAC concentration is observed. The interaction has been investigated by determining the structure factor obtained by using the generalized indirect Fourier transformation (GIFT) method. The interaction between the P123 micelle-CTAC complexes was modeled using the Percus-Yevick closure. For the low molar ratios a small decrease in the apparent molecular weight of the complex was obtained, whereas the major effect was the increase in electrostatic repulsion between the complexes. Between molar ratios 1.9 and 9 two coexisting complexes were found, one P123 micelle-CTAC complex and one "CTAC-P123" complex. The latter one consists of one or a few P123 unimers and a few CTAC monomers. As the CTAC concentration increases above a molar ratio of 9, the P123 micelles are broken up and only the CTAC-P123 complex that is slightly smaller than a CTAC micelle exists. The interaction between the P123/CTAC complexes was modeled with the hypernetted-chain closure using a Yukawa type potential in the GIFT analysis, due to the stronger electrostatic repulsion.

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Interactions between n-octyl and n-nonyl beta-D-glucosides and alpha- and beta-cyclodextrins as seen by self-diffusion NMR.

In this work (1)H NMR self-diffusion experiments have been performed to determine the self-diffusion coefficients of n-octyl beta-d-glucoside and n-nonyl beta-d-glucoside in alpha-cyclodextrin and beta-cyclodextrin solutions at 25 degrees C. Two questions are addressed. The first concerns the general influence on nonionic surfactant transport properties when cyclodextrins are present in solution. The second question concerns the influence of surfactant-chain length and cyclodextrin cavity volume on the association constant. The self-diffusion coefficients of the alkyl glucosides, in cyclodextrin-containing solutions, depend on the cyclodextrin concentration on account of the formation of complexes. The cyclodextrin diffusion is only mildly influenced, since the complex has similar diffusion coefficients as the free cyclodextrin. There are some obstruction effects at the highest surfactant concentrations which decrease the cyclodextrin diffusion. A set of equations to model the self-diffusion coefficients of the surfactant and cyclodextrin was developed and is presented. On the basis of such equations, properties such as association constants, and micelle and complex diffusion coefficients can be estimated.

Diffusion↗