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1.
Polymers (Basel) ; 16(5)2024 Feb 22.
Artículo en Inglés | MEDLINE | ID: mdl-38475285

RESUMEN

Polymer matrix tablets are an important drug-delivery system widely used for oral drug administration. Understanding the tablet hydration process, both experimentally and theoretically, is, thus, very important for the development of drug delivery systems that exhibit high drug loading capacity and controlled release potential. In this study, we used magnetic resonance microscopy (MRM) to nondestructively and dynamically analyze the water hydration process of xanthan-based tablets. The swelling process was characterized by well-resolved fronts of erosion, swelling, and penetration. The experimental results were complemented by numerical simulations of the polymer matrix hydration process. In the simulations, the polymer tablet matrix was modeled as an assembly of interacting chains with embedded drug particles, while its hydration process was mediated by interaction with solvent particles. The swelling dynamics were modeled within a Monte Carlo-based bond fluctuation model (BFM) that elegantly accounted for steric and nearest-neighbor interactions. This study provides an efficient experimental-theoretical approach for the study of polymer matrix swelling processes.

2.
J Magn Reson ; 328: 106981, 2021 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-33971583

RESUMEN

Inhomogeneous magnetic fields generated in porous media due to differences in magnetic susceptibility at solid/liquid interfaces and due to intrinsic or artificially doped magnetic impurities can be used to gain insight into the molecular dynamics of fluid in the structure of a porous medium using the concept of NMR modulated gradient spin echo method. We extended the theory of this method to the case of an inhomogeneous magnetic field that cannot be approximated by an uniform gradient, in order to explain the CPMG measurements of self-diffusion in water soaked ceramics, which are doped with magnetic impurities of different contents. The new interpretation provides the spin relaxation times, the average pore size and their distribution, as well as the strength of the internal magnetic gradient fields in the doped ceramics.

3.
Molecules ; 25(24)2020 Dec 09.
Artículo en Inglés | MEDLINE | ID: mdl-33317155

RESUMEN

The translational motion of polymers is a complex process and has a big impact on polymer structure and chemical reactivity. The process can be described by the segment velocity autocorrelation function or its diffusion spectrum, which exhibit several characteristic features depending on the observational time scale-from the Brownian delta function on a large time scale, to complex details in a very short range. Several stepwise, more-complex models of translational dynamics thus exist-from the Rouse regime over reptation motion to a combination of reptation and tube-Rouse motion. Accordingly, different methods of measurement are applicable, from neutron scattering for very short times to optical methods for very long times. In the intermediate regime, nuclear magnetic resonance (NMR) is applicable-for microseconds, relaxometry, and for milliseconds, diffusometry. We used a variation of the established diffusometric method of pulsed gradient spin-echo NMR to measure the diffusion spectrum of a linear polyethylene melt by varying the gradient pulse width. We were able to determine the characteristic relaxation time of the first mode of the tube-Rouse motion. This result is a deviation from a Rouse model of polymer chain displacement at the crossover from a square-root to linear time dependence, indicating a new long-term diffusion regime in which the dynamics of the tube are also described by the Rouse model.


Asunto(s)
Polímeros/química , Difusión , Campos Magnéticos , Espectroscopía de Resonancia Magnética/métodos , Simulación de Dinámica Molecular , Polietileno/química
4.
J Exp Biol ; 223(Pt 21)2020 11 10.
Artículo en Inglés | MEDLINE | ID: mdl-33023924

RESUMEN

Three-dimensional (3D) magnetic resonance microscopy (MRM) is a modality of magnetic resonance imaging (MRI) optimized for the best resolution. Metamorphosis of the Carniolan worker honey bee (Apis mellifera carnica) was studied in vivo under controlled temperature and humidity conditions from sealed larvae until the emergence of an adult. The 3D images were analyzed by volume rendering and segmentation, enabling the analysis of the body, tracheal system and gastrointestinal tract through the time course of volume changes. Fat content sensitivity enabled the analysis of flight muscles transformation during the metamorphosis by the signal histogram and gray level co-occurrence matrix (GLCM). Although the transformation during metamorphosis is well known, MRM enables an alternative insight to this process, i.e. 3D in vivo, which has relatively high spatial and temporal resolutions. The developed methodology can easily be adapted for studying the metamorphosis of other insects or any other incremental biological process on a similar spatial and temporal scale.


Asunto(s)
Microscopía , Animales , Abejas , Humedad , Larva , Espectroscopía de Resonancia Magnética
5.
J Magn Reson ; 270: 77-86, 2016 09.
Artículo en Inglés | MEDLINE | ID: mdl-27414761

RESUMEN

Translational molecular dynamics in various materials can also be studied by diffusion spectra. These can be measured by a constant gradient variant of the modulated gradient spin echo (MGSE) sequence which is composed of a CPMG RF pulse train superimposed to a constant magnetic field gradient. The application of the RF train makes the effective gradient oscillating thus enabling measurements of diffusion spectra in a wide range of frequencies. However, seemingly straightforward implementation of the MGSE sequence proved to be complicated and can give overestimated results for diffusion if not interpreted correctly. In this study, unrestricted diffusion in water and other characteristic materials was analyzed by the MGSE sequence in the frequency range 50-3000Hz using a 6T/m diffusion probe. First, it was shown that the MGSE echo train acquired from the entire sample decays faster than the train acquired only from a narrow band at zero frequency of the sample. Then, it was shown that the decay rate is dependent on the band's off-resonance characterized by the ratio Δω0/ω1 and that with higher off-resonances the decay is faster. The faster decay therefore corresponds to a higher diffusion coefficient if the diffusion is calculated using standard Stejskal-Tanner formula. The result can be explained by complex coherence pathways contributing to the MGSE echo signals when |Δω0|/ω1>0. In a magnetic field gradient, all the pathways are more diffusion attenuated than the direct coherence pathway and therefore decay faster, which leads to an overestimation of the diffusion coefficient. A solution to this problem was found in an efficient off-resonance signal reduction by using only zero frequency filtered MGSE echo train signals.

6.
J Magn Reson ; 236: 41-6, 2013 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-24051201

RESUMEN

Pulsed gradient spin echo is a method of measuring molecular translation. Changing Δ makes it sensitive to diffusion spectrum. Spin translation effects the buildup of phase structure during the application of gradient pulses as well. The time scale of the self-diffusion measurement shortens if this is taken into account. The method of diffusion spectrometry with variable δ is also less sensitive to artifacts caused by spin relaxation and internal gradient fields. Here the method is demonstrated in the case of diffusion spectrometry of molten polyethylene. The results confirm a model of constraint release in a system of entangled polymer chains as a sort of tube Rouse motion.

7.
Magn Reson Imaging ; 25(4): 517-20, 2007 May.
Artículo en Inglés | MEDLINE | ID: mdl-17466777

RESUMEN

Carr-Purcell-Meiboom-Gill (CPMG) train of radiofrequency pulses applied to spins in the constant magnetic field gradient is an efficient variant of the modulated magnetic field gradient spin echo method, which provides information about molecular diffusion in the frequency domain instead of in the time domain as with the two-pulse gradient spin echo. The frequency range of this novel technique is broad enough to sample the power spectrum of displacement fluctuation in water-saturated pulverized silica (SiO2) and provides comprehensive information about the molecular restricted motion as well as about the structure of the medium.


Asunto(s)
Espectroscopía de Resonancia Magnética/métodos , Magnetismo , Difusión , Porosidad , Reología/métodos , Dióxido de Silicio , Factores de Tiempo , Agua
8.
J Magn Reson ; 182(2): 195-9, 2006 Oct.
Artículo en Inglés | MEDLINE | ID: mdl-16844392

RESUMEN

Carr-Purcell-Meiboom-Gill train of radiofrequency pulses applied to spins in the constant magnetic field gradient is an efficient variant of the modulated magnetic field gradient spin echo method, which provides information about molecular diffusion in the frequency-domain instead in the time-domain as with the two-pulse gradient spin echo. The frequency range of novel technique is broad enough to sample the power spectrum of displacement fluctuation in water-saturated pulverized silica (SiO(2)) and provides comprehensive information about the molecular restricted motion as well as about the structure of medium.

9.
J Magn Reson ; 182(2): 208-14, 2006 Oct.
Artículo en Inglés | MEDLINE | ID: mdl-16859938

RESUMEN

The modulation of spin phase produced by Carr-Purcell-Meiboom-Gill (CPMG) sequence in combination with constant magnetic field gradient is appropriate to probe the displacement power spectrum (DPS). The spin-echo attenuation is directly proportional to the DPS value at the applied modulation frequency. Relaxation and selective excitation effects can be factored out while probing the DPS. The modulation frequency is adjusted by varying the pulse separation time while the gradient strength and the time of acquisition are kept constant. In designing the experiment gradient strength limitations, imposed by off-resonance effects, as well as limitations arising from using Gaussian phase approximation must be considered. An effective experimental strategy is presented, supported by experimental results for free and restricted diffusion.

10.
J Magn Reson ; 174(2): 223-8, 2005 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-15862238

RESUMEN

With a proper timing of pi pulses, it is possible to reduce the effect of the static internal magnetic field gradient on the measurement of diffusion with the pulsed gradient spin echo (PGSE). A pulse sequence that in the first order eliminates the effect of weak internal static gradients in a standard PGSE experiment is introduced. The method should be applied in the cases, where strong and short magnetic gradient pulses are used to investigate the motion of liquid in heterogeneous samples with large susceptibility differences such as porous media.

11.
J Magn Reson ; 171(1): 157-62, 2004 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-15504695

RESUMEN

The RARE imaging method was used to monitor the cooking of single rice kernels in real time and with high spatial resolution in three dimensions. The imaging sequence is optimized for rapid acquisition of signals with short relaxation times using centered out RARE. Short scan time and high spatial resolution are critical factors in the investigation of the cooking behavior of rice kernels since time and spatial averaging may lead to erroneous results. The results are confirming the general pattern of moisture ingress that has been suspected from previous (more limited) studies. Water uptake as determined by analysis of the MRI time series recorded during cooking compares well with gravimetric studies. This allows using these real-time MRI data for developing and validating models that describe the effect of kernel microstructure on its cooking behavior.


Asunto(s)
Culinaria , Imagen por Resonancia Magnética/métodos , Oryza , Procesamiento de Imagen Asistido por Computador , Factores de Tiempo , Agua
12.
J Magn Reson ; 160(1): 47-51, 2003 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-12565048

RESUMEN

Distortions of magnetic resonance images near solid-liquid interface appear as the result of the restriction to spin self-diffusion in the proximity of impermeable boundary as well as of a susceptibility difference. The spectral analysis of spin echo enables to resolve, in a simple way, how various RF-gradient pulse sequences reduce the effect of the internal magnetic field induced by the susceptibility difference at interfaces. The 1D diffusion-weighted imaging of water in the narrow notch tested efficiency of some sequence. The notch was milled in a piece of Plexiglas. The method can be used to distinguish the susceptibility effect from the effects of applied gradients when investigating the transport of fluid through a porous structure.

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