Structure of the Molten Salt Methyl Ammonium Nitrate Explored by Experiments and Theory

Bodo, Enrico; Postorino, P.; Mangialardo, Sara; Piacente, G.; Ramondo, Fabio; Bosi, Ferdinando; Ballirano, Paolo; Caminiti, Ruggero

doi:10.1021/jp2070002

Cited by 53 publications

(70 citation statements)

References 52 publications

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“…196 For the smaller ions present in methylammonium nitrate, there were no "magic" numbers identified, although the n = 4 cluster was slightly more stable than the others. 197 …”

Section: Bulk Nanostructure/mesostructure Of Ionic Liquidsmentioning

confidence: 99%

Protic Ionic Liquids: Evolving Structure–Property Relationships and Expanding Applications

2015

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“…196 For the smaller ions present in methylammonium nitrate, there were no "magic" numbers identified, although the n = 4 cluster was slightly more stable than the others. 197 …”

Section: Bulk Nanostructure/mesostructure Of Ionic Liquidsmentioning

confidence: 99%

Protic Ionic Liquids: Evolving Structure–Property Relationships and Expanding Applications

2015

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“…4B where it can be noticed that the symmetric stretching mode of NO 3 -is largely the most prominent spectral feature. 65 Despite three successive centrifugations and re-dilutions in water, this peak is still present in the Raman spectra of the treated samples (see Fig. 4A).…”

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confidence: 95%

Role of ionic liquids in protein refolding: native/fibrillar versus treated lysozyme

et al. 2012

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Several ionic liquids (ILs) are known to revert aggregation processes and improve the in vitro refolding of denatured proteins. In this paper the capacity of a particular class of ammonium based ILs to act as refolding enhancers was tested using lysozyme as a model protein. Raman spectra of ILs treated fibrillar lysozyme as well as lysozyme in its native and fibrillar conformations were collected and carefully analyzed to characterize the refolding extent under the effect of the IL interaction. Results obtained confirm and largely extend the earlier knowledge on this class of protic ILs and indicate Ethyl Ammonium Nitrate (EAN) as the most promising additive for protein refolding. The experiment provides also the demonstration of the high potentiality of Raman spectroscopy as a comprehensive diagnostic tool in this field. IntroductionProtein aggregation is one of the most important problems in the production and storage industrial processes and therefore among the causes of the major economic loss in biotechnology and pharmaceutical factories. Indeed in manufacturing commercial products, the goal is to obtain a stable and correct protein folding for allowing the full functionality. 1 The problems of protein aggregation and structural stability are not limited to the manufacturing processes. Protein misfolding diseases are a well-known class of ailments including Alzheimer, Parkinson and Huntington diseases. They all involve protein aggregation and share common features such as the presence of insoluble fibrous protein aggregation in a specific structural motif characterized by a cross-β sheet structure. 2 Key issues on aggregation are not yet fully addressed such as the detailed microscopic mechanism leading to aggregation, the structure of aggregates, how the environmental conditions can affect the rate and the amount of aggregation and how aggregation can be prevented and/or removed. Additives may promote the stabilization of the native state of the protein accelerating the kinetics of the correct folding and removing/inhibiting the aggregation of denatured polypeptides and intermediates of the folding pathways. 3In recent years ionic liquids (ILs) have been used to stabilize the protein activity, to inhibit or reduce aggregation, and to improve the in vitro refolding of denatured proteins. 4,5 ILs have numerous attractive characteristics including their non-volatility, good solvating properties, thermal stability, and recyclability, that render these compounds "environmentally green". 6,7,8,9,10 One of the most important qualities of these solvents is the high tunability of their chemical structure. Indeed, they can be designed to have specific physical and chemical qualities by acting on either the alkyl chains (i.e. modifying the length, the presence of hydrophobic groups, etc.) or the anion (i.e. varying the degree of the charge delocalization, its hydrogen bonding ability, etc). 11 ILs having coordinating anions which are strong hydrogen bond acceptors (e.g. Cl − , NO 3 − , CH 3 COO − and (MeO) 2 PO 2 − )...

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“…Low-frequency vibrational modes of protic ionic liquids (PIL) and ionic liquids (ILs) detect and quantify hydrogen bonds [120]. PILs are a subset of ILs and are formed by the combination of equimolar amounts of a Brønsted acid and a Brønsted base [121][122][123][124][125][126][127][128]. Hydrogen bonding in PILs is reminiscent of water [126].…”

Section: Thz Vibrations Of Hydrogen-bonded Moleculesmentioning

confidence: 99%

Terahertz Vibrations and Hydrogen-Bonded Networks in Crystals

Takahashi

2014

Crystals

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Abstract:The development of terahertz technology in the last few decades has made it possible to obtain a clear terahertz (THz) spectrum. THz vibrations clearly show the formation of weak bonds in crystals. The simultaneous progress in the code of first-principles calculations treating noncovalent interactions has established the position of THz spectroscopy as a powerful tool for detecting the weak bonding in crystals. In this review, we are going to introduce, briefly, the contribution of weak bonds in the construction of molecular crystals first, and then, we will review THz spectroscopy as a powerful tool for detecting the formation of weak bonds and will show the significant contribution of advanced computational codes in treating noncovalent interactions. From the second section, following the Introduction, to the seventh section, before the conclusions, we describe: (1) the crystal packing forces, the hydrogen-bonded networks and their contribution to the construction of organic crystals; (2) the THz vibrations observed in hydrogen-bonded molecules; (3) the computational methods for analyzing the THz vibrations of hydrogen-bonded molecules; (4) the dispersion correction and anharmonicity incorporated into the first-principles calculations and their effect on the peak assignment of the THz spectrum (5) the temperature dependence; and (6) the polarization dependence of the THz spectrum.

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Structure of the Molten Salt Methyl Ammonium Nitrate Explored by Experiments and Theory

Cited by 53 publications

References 52 publications

Protic Ionic Liquids: Evolving Structure–Property Relationships and Expanding Applications

Protic Ionic Liquids: Evolving Structure–Property Relationships and Expanding Applications

Role of ionic liquids in protein refolding: native/fibrillar versus treated lysozyme

Terahertz Vibrations and Hydrogen-Bonded Networks in Crystals

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