Less-Ordered Hydration Shell around Poly(<i>N</i>,<i>N</i>-diethylacrylamide) Is Insensitive to the Clouding Transition

Zhou, Di; Wan, Ling‐Shu; Xu, Zhi‐Kang; Mochizuki, Kenji

doi:10.1021/acs.jpcb.1c07966

Cited by 3 publications

(2 citation statements)

References 39 publications

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“…Materials PDEAM (M n E 22900 Da) was synthesized as reported in our previous work. 27 The monomer N,N-diethylacrylamide (DEAM, 98%, D-Chem) was used after distillation under reduced pressure. Poly(N-isopropylacrylamide) (PNIPAM, M w = 3000-4000 Da) was purchased from Bidepharm (China).…”

Section: Methodsmentioning

confidence: 99%

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Poly(N,N-diethylacrylamide)-endowed spontaneous emulsification during the breath figure process and the formation of membranes with hierarchical pores

Zhou,

Fu,

Lin

et al. 2024

Soft Matter

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Section: Methodsmentioning

confidence: 99%

“…The LCST of PDEAM is close to that of the traditional thermo-responsive polymer PNIPAM (B32 1C). 27 PNIPAM possesses a secondary amide group and thus shows strong polarity and capability to form hydrogen bonds with water. PDEAM has a tertiary amide group in its repeating unit (Fig.…”

Section: Static Observation Of Pdeam-endowed Spontaneous Emulsificationmentioning

confidence: 99%

Poly(N,N-diethylacrylamide)-endowed spontaneous emulsification during the breath figure process and the formation of membranes with hierarchical pores

Zhou,

Fu,

Lin

et al. 2024

Soft Matter

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Fast crystal growth of ice VII owing to the decoupling of translational and rotational ordering

Zhang

Yao

et al. 2023

Commun Phys

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Despite the abundance of water’s crystalline polymorphs, the growth mechanisms of most ice forms remain poorly understood. This study applies extensive molecular dynamics (MD) simulations to examine the growth of ice VII, revealing a fast growth rate comparable to pure metals while maintaining robust hydrogen-bond networks. The results from an unsupervised machine learning applied to identify local structure suggest that the surface of ice VII consistently exhibits a body-centered cubic (bcc) plastic ice layer, indicating the decoupling of translational and rotational orderings. The study also uncovers the ultrafast growth rate of pure plastic ice, indicating that orientational disorder in the crystal structure may be associated with faster kinetics. Additionally, we discuss the impacts of interfacial plastic layer width and surface roughness on growth mode.

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Vibrational frequency fluctuations of poly(N,N-diethylacrylamide) in the vicinity of coil-to-globule transition studied by two-dimensional infrared spectroscopy and molecular dynamics simulations

Fujii,

Ioka,

Minamoto

et al. 2024

The Journal of Chemical Physics

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Poly(N,N-diethylacrylamide) (PdEA), one of the thermoresponsive polymers, in aqueous solutions has attracted much attention because of its characteristic properties, such as coil-to-globule (CG) transition. We performed two-dimensional infrared spectroscopy and molecular dynamics (MD) simulations to understand the hydration dynamics in the vicinity of the CG transition at the molecular level via vibrational frequency fluctuations of the carbonyl stretching modes in the side chains of PdEA. Furthermore, N,N-diethylpropionamide, a repeating monomer unit of PdEA, is also investigated for comparison. From decays of the frequency–frequency time correlation functions (FFTCFs) of the carbonyl stretching modes, we consider that inhomogeneity of the hydration environments originates from various backbone configurations of PdEA. The degree of the inhomogeneity depends on temperature. Hydration water molecules near the carbonyl groups are influenced by the confinements of the polymers. The restricted reorientation of the embedded water, the local torsions of the backbone, and the rearrangement of the whole structure contribute to the slow spectral diffusion. By performing MD simulations, we calculated the FFTCFs and dynamical quantities, such as fluctuations of the dihedral angles of the backbone and the orientation of the hydration water molecules. The simulated FFTCFs match well with the experimental results, indicating that the retarded water reorientations via the excluded volume effect play an important role in the vibrational frequency fluctuations of the carbonyl stretching mode. It is also found the embedded water molecules are influenced by the local torsions of the backbone structure within the time scales of the spectral diffusion.

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Less-Ordered Hydration Shell around Poly(N,N-diethylacrylamide) Is Insensitive to the Clouding Transition

Cited by 3 publications

References 39 publications

Poly(N,N-diethylacrylamide)-endowed spontaneous emulsification during the breath figure process and the formation of membranes with hierarchical pores

Poly(N,N-diethylacrylamide)-endowed spontaneous emulsification during the breath figure process and the formation of membranes with hierarchical pores

Fast crystal growth of ice VII owing to the decoupling of translational and rotational ordering

Vibrational frequency fluctuations of poly(N,N-diethylacrylamide) in the vicinity of coil-to-globule transition studied by two-dimensional infrared spectroscopy and molecular dynamics simulations

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