Water content thresholds in glycerol/water system: Low- and high-wavenumber Raman spectroscopy study

Starciuc, Tatiana; Guinet, Yannick; Hédoux, Alain; Shalaev, Evgenyi

doi:10.1016/j.molliq.2020.114678

Cited by 14 publications

(19 citation statements)

References 43 publications

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“…They revealed systematic variations of the intensity and frequency position of the different bands with temperature, as indicated by arrows in Figure a. To get a quantitative description, a sum of three Gaussian functions (dashed lines in Figure a) was fitted to each experimental spectrum (Figure S2), following the scheme applied in previous studies. ,,,− The temperature dependence of the fraction of each population is plotted in Figure b. It was defined as the ratio of the integrated intensity of each specific band over the sum of the three integrated intensities.…”

Section: Resultsmentioning

confidence: 99%

Structure of Water at Hydrophilic and Hydrophobic Interfaces: Raman Spectroscopy of Water Confined in Periodic Mesoporous (Organo)Silicas

et al. 2022

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The temperature dependence of the structure of water confined in hydrophilic mesostructured porous silica (MCM-41) and hydrophobic benzene-bridged periodic mesoporous organosilicas (PMOs) is studied by Raman vibrational spectroscopy. For capillary filled pores (75% relative humidity, RH), the OH stretching region is dominated by the contribution from liquid water situated in the core part of the pore. It adopts a bulklike structure that is modestly disrupted by confinement and surface hydrophobicity. For partially filled pores (33% RH), the structure of the nonfreezable adsorbed film radically differs from that found in capillary filled pores. A first remarkable feature is the absence of the Raman spectral fingerprint of low-density amorphous ice, even at a low temperature (−120 °C). Second, additional bands reveal water hydroxyl groups pointing toward the different water/solid and water/vapor interfaces. For MCM-41, they correspond to water molecules acting as weak H-bond donors with silica and dangling hydroxyl groups oriented toward the empty center of the pore. For benzene-bridged PMO, we found an additional type of dangling hydroxyl groups, which we attribute to water at the hydrophobic solid interface.

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Section: Resultsmentioning

confidence: 99%

Structure of Water at Hydrophilic and Hydrophobic Interfaces: Raman Spectroscopy of Water Confined in Periodic Mesoporous (Organo)Silicas

et al. 2022

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“…Recently, Starciuc et al investigated glycerol-water mixtures containing between 0 wt.% to 40 wt.% water with low-and high-wavenumber Raman spectroscopy, and three water-content regions were found [35]. This confirmed the existence of a threshold for water clustering in glycerol.…”

Section: Introduction I1 Dynamics Of Glass-formersmentioning

confidence: 90%

“…When data at various concentrations are reported, one has to keep in mind that Starciuc et al showed that the transition from predominantly unclustered water molecules to clusters occurs at around 6.1 ± 0.7 wt % water. A second threshold was found at 18.6 ± 4.4 wt % water and linked to larger, percolating water clusters [35]. At concentrations below the first threshold, water molecules are predominantly unclustered, do not induce major structural changes, and form mostly water-glycerol hydrogen bonds.…”

Section: Iii2 the Influence Of Water Concentration Andmentioning

confidence: 96%

“…Starciuc et al suggested that unclustered water molecules (that are commonly found in products containing only a few wt. % water) are less catalytically active than water clusters [35]. They hypothesised that proton transfer becomes possible only once a water clustering threshold is exceeded, thereby supporting pharmaceutical degradation reactions such as amide hydrolysis and deamidation.…”

Section: Introduction I1 Dynamics Of Glass-formersmentioning

confidence: 99%

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Terahertz Dynamics in the Glycerol-Water System

Kölbel¹,

Schirmacher²,

Shalaev³

et al. 2022

Preprint

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The model glass-former glycerol and its aqueous mixtures were investigated with terahertz-time domain spectroscopy (THz-TDS) in the frequency range of 0.3 THz to 3.0 THz at temperatures from 80 K to 305 K. It was shown that the infrared absorption coefficient measured with THz-TDS can be theoretically related to the reduced Raman intensity (∝ α/ω 2 ) and the reduced density of states (∝ α/ω 3 ) and the agreement with experimental results confirms this. The data were further used to investigate the behaviour of model glasses in the harmonic (below the glass transition temperature Tg), anharmonic (above Tg), and liquid regime. The onset temperature of the molecular mobility as measured by the infrared active dipoles, Tg, was found to correlate with the onset of anharmonic effects, leading to an apparent shift of the boson peak and obscuring it at elevated temperatures. The influence of clustered and unclustered water on the dynamics, the boson peak, and the vibrational dynamics was also investigated. A change in structural dynamics was observed at a water concentration of approximately 5 wt.%, corresponding to a transition from isolated water molecules distributed homogeneously throughout the sample to the presence of small water clusters and an increased number of water-water hydrogen bonds which lower the barriers on the potential energy surface.

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“…Over recent years, Raman spectroscopy technology has continued to be developed, and researchers have combined Raman spectroscopy technology with a variety of other technologies to make detection technologies more effective, such as confocal Raman microscopy [ 96 ], Raman imaging technology [ 97 , 98 ], resonance Raman technology [ 99 ], surface-enhanced Raman spectroscopy (SERS) technology [ 100 ], and so forth. Raman spectroscopy technology is widely used in the fields of medicine [ 101 ], pharmaceuticals [ 102 , 103 , 104 ], cosmetics [ 105 , 106 ], carbon materials [ 107 , 108 ], geology [ 109 , 110 ], and life sciences because of its ability to rapidly analyze chemical structures in a nondestructive manner and its powerful imaging functions. Compared with other spectroscopic techniques, Raman spectroscopy has improved analytical performance for samples in aqueous solutions, biological tissues, and cells because the Raman signal of water is very weak.…”

Section: Raman Spectroscopymentioning

confidence: 99%

Vibrational Spectroscopy in Assessment of Early Osteoarthritis—A Narrative Review

Chen

Zhao

et al. 2021

IJMS

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Osteoarthritis (OA) is a degenerative disease, and there is currently no effective medicine to cure it. Early prevention and treatment can effectively reduce the pain of OA patients and save costs. Therefore, it is necessary to diagnose OA at an early stage. There are various diagnostic methods for OA, but the methods applied to early diagnosis are limited. Ordinary optical diagnosis is confined to the surface, while laboratory tests, such as rheumatoid factor inspection and physical arthritis checks, are too trivial or time-consuming. Evidently, there is an urgent need to develop a rapid nondestructive detection method for the early diagnosis of OA. Vibrational spectroscopy is a rapid and nondestructive technique that has attracted much attention. In this review, near-infrared (NIR), infrared, (IR) and Raman spectroscopy were introduced to show their potential in early OA diagnosis. The basic principles were discussed first, and then the research progress to date was discussed, as well as its limitations and the direction of development. Finally, all methods were compared, and vibrational spectroscopy was demonstrated that it could be used as a promising tool for early OA diagnosis. This review provides theoretical support for the application and development of vibrational spectroscopy technology in OA diagnosis, providing a new strategy for the nondestructive and rapid diagnosis of arthritis and promoting the development and clinical application of a component-based molecular spectrum detection technology.

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Water content thresholds in glycerol/water system: Low- and high-wavenumber Raman spectroscopy study

Cited by 14 publications

References 43 publications

Structure of Water at Hydrophilic and Hydrophobic Interfaces: Raman Spectroscopy of Water Confined in Periodic Mesoporous (Organo)Silicas

Structure of Water at Hydrophilic and Hydrophobic Interfaces: Raman Spectroscopy of Water Confined in Periodic Mesoporous (Organo)Silicas

Terahertz Dynamics in the Glycerol-Water System

Vibrational Spectroscopy in Assessment of Early Osteoarthritis—A Narrative Review

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