Microcanonical molecular dynamics simulation of the vitreous phase transition of poly(binaphthylphosphazene)

Samith, V.D.; Ruiz-Fernández, A. R.; Bahamondes-Padilla, V.E.; Muñoz-Gacitúa, D.; Ramos-Moore, E.; Davis, Sergio

doi:10.1016/j.jnoncrysol.2017.01.023

Cited by 5 publications

(5 citation statements)

References 53 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The melting temperature was then determined in the 25–100 °C range at a heating rate of 20 °C/min in a nitrogen atmosphere. 51 , 52 …”

Section: Experimental Methodsmentioning

confidence: 99%

“…The melting temperature was then determined in the 25−100 °C range at a heating rate of 20 °C/min in a nitrogen atmosphere. 51,52 Raman Spectroscopy. The melting processes of Pluronic F68 (F68) were determined by means of two thermal cycles in the 25−100 °C temperature range, with a precision of ±0.1 °C, from the Raman spectra obtained on a LabRam010de ISA instrument with a 5.5 mW HeNe laser (633 nm) without a filter.…”

Section: ■ Experimental Methodsmentioning

confidence: 99%

“…They are heated to the high temperature limit from 25 to 100 °C and then cooled rapidly with liquid nitrogen in a Mettler Toledo DSC calorimeter. The melting temperature was then determined in the 25–100 °C range at a heating rate of 20 °C/min in a nitrogen atmosphere. , …”

Section: Experimental Methodsmentioning

confidence: 99%

See 2 more Smart Citations

Morphological and Semi-empirical Study of the Pluronic F68/Imogolite/Sudan III Intersurfaces Composite for the Controlled Temperature Release of Hydrophobic Drugs

2020

Self Cite

View full text Add to dashboard Cite

Some PluronicF68 (F68) triblock copolymer properties demonstrate surprising applications in selective drug administration, such as the transportation of hydrophobic anti-inflammatories through epithelial barriers. Nuclear magnetic resonance ( 1 H-NMR) spectroscopy was carried out for micelle precursor dispersions and F68 films modified with a synthetic imogolite (IMO) biocompatible hydrogel. Theoretical calculations and morphological assessment for the process of morphogenesis of dendritic crystallization were performed by molecular docking and atomic force microscopy (AFM) of the Sudan III-IMO-F68 composite, which was more hydrophobic than Sudan III-F68 and carried out the prolonged release of the Sudan III “drug” captured by a water–octanol interface determined by standard absorbance. Surface fusions were measured and compared to the unmodified matrix. However, despite the superior properties of the composite, the critical micelle concentration (CMC) was practically unmodified because solitary IMO strands attached to Sudan III formed Sudan III-IMO. These strands unraveled in a stable manner by expanding like a “spiderweb” in hydrophilic interfaces according to NMR analysis of the hydrogen one H 1 polarization of Sudan III and F68 methyl, whose correlation relates hydrophobicity of Sudan III-IMO-F68 with dendrite properties from F68 concentrations. CMC and surface fusions equivalent to F68 surface properties, calculated by differential scanning calorimetry and dynamic Raman spectroscopy, were determined by AFM and high-resolution ellipsometry. Our results show highly specialized pharmacological applications since micelle surfaces expand, triggering maximum deliveries of “Drugs” from its interior to the physiological environment. The implanted sensor prototype determined equilibria reached Sudan III according to temperature (32–50 °C) and time it took to cross the membrane model 1-octanol (48 h). The findings suggest that the targested design of a F68-IMO-“Drug” would function as a microdevice for the prolonged release of hydrophobic drugs. In addition, the said microdevice could regenerate the damaged tissue in the central nervous system or other organs of the body. This is due to the fact that it could perform both tasks simultaneously, given the properties and characteristics acquired by the compatible material depending on the temperature of the physiological environment.

show abstract

“…The melting temperature was then determined in the 25–100 °C range at a heating rate of 20 °C/min in a nitrogen atmosphere. 51 , 52 …”

Section: Experimental Methodsmentioning

confidence: 99%

Section: ■ Experimental Methodsmentioning

confidence: 99%

See 1 more Smart Citation

Morphological and Semi-empirical Study of the Pluronic F68/Imogolite/Sudan III Intersurfaces Composite for the Controlled Temperature Release of Hydrophobic Drugs

2020

Self Cite

View full text Add to dashboard Cite

show abstract

“…Raman spectroscopy is a useful technique to study the structural transition processes since the Raman scattering signal is sensitive to conformational changes, microscopic deformations, and molecular motions . Two‐dimensional (2D) correlation spectroscopy is a versatile powerful technique that can be used to interpret spectral data obtained under external perturbations, which can provide new molecular‐level insights .…”

Section: Introductionmentioning

confidence: 99%

“…29 Raman spectroscopy is a useful technique to study the structural transition processes since the Raman scattering signal is sensitive to conformational changes, microscopic deformations, and molecular motions. 30,31 Two-dimensional (2D) correlation spectroscopy is a versatile powerful technique that can be used to interpret spectral data obtained under external perturbations, which can provide new molecular-level insights. [32][33][34] Based on advantages such as the establishment of unambiguous assignments and determination of the sequence of change of the spectral peaks, 2D correlation analysis has already been successfully applied to several spectroscopic techniques including infrared absorption, vibrational circular dichroism, and Raman scattering in various polymer and biopolymer studies.…”

Section: Introductionmentioning

confidence: 99%

Insights into the helix‐sense inversion of poly(β‐phenethyl‐L‐aspartate) by two‐dimensional Raman correlation spectroscopy

Suzuki

Furuya

2018

Journal of Peptide Science

View full text Add to dashboard Cite

In this study, the transition process of the helix-sense inversion of poly(β-phenethyl-L-aspartate) was investigated by Raman scattering and 2-dimensional correlation spectroscopy. Temperature-dependent Raman spectra were obtained during the helix-sense inversion. The results of 2-dimensional correlation analysis in the spectral regions of 1600-1800 and 3200-3400 cm showed that the intensity changes of the side-chain ester C═O stretching bands occurred prior to those of amide A and amide I bands in the unwinding process of αR-helix on heating. The sequential order of the intensity changes for amide A, amide I, and the side-chain ester C═O stretching bands during the inversion process was determined. It was found that the conformation change of the side chain occurred prior to that of the main chain for the αR-helix on heating. Thus, we concluded that the transformation of the backbone chain from right-handed to left-handed is triggered by the conformational change of the side chains.

show abstract

Effect of side groups on glass transition temperatures of Poly(ethoxy/phenoxy)phosphazenes: Prediction and synthesis

Wang

Zhanqiang

Basharat

et al. 2021

Polymer

View full text Add to dashboard Cite

Microcanonical molecular dynamics simulation of the vitreous phase transition of poly(binaphthylphosphazene)

Cited by 5 publications

References 53 publications

Morphological and Semi-empirical Study of the Pluronic F68/Imogolite/Sudan III Intersurfaces Composite for the Controlled Temperature Release of Hydrophobic Drugs

Morphological and Semi-empirical Study of the Pluronic F68/Imogolite/Sudan III Intersurfaces Composite for the Controlled Temperature Release of Hydrophobic Drugs

Insights into the helix‐sense inversion of poly(β‐phenethyl‐L‐aspartate) by two‐dimensional Raman correlation spectroscopy

Effect of side groups on glass transition temperatures of Poly(ethoxy/phenoxy)phosphazenes: Prediction and synthesis

Contact Info

Product

Resources

About