Solid-State NMR and X-ray Analysis of Structural Transformations in O−H···N Heterosynthons Formed by Hydrogen-Bond-Mediated Molecular Recognition

2009 ◽  
Vol 74 (6) ◽  
pp. 2261-2270 ◽  
Author(s):  
Mujeeb Khan ◽  
Volker Enkelmann ◽  
Gunther Brunklaus
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Molecular Recognition ◽  
Solid State Nmr ◽  
Structural Transformations ◽  
X Ray

A Solid-State NMR, X-ray Diffraction, and ab Initio Computational Study of Hydrogen-Bond Structure and Dynamics of Pyrazole-4-Carboxylic Acid Chains

2001 ◽  
Vol 123 (32) ◽  
pp. 7898-7906 ◽  
Author(s):  
Concepción Foces-Foces ◽  
Aurea Echevarría ◽  
Nadine Jagerovic ◽  
Ibon Alkorta ◽  
José Elguero ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Carboxylic Acid ◽  
Ab Initio ◽  
Solid State Nmr ◽  
Computational Study ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure And Dynamics

scholarly journals Hydrates and polymorphs of lead squarate Pb(C4O4): Structural transformations studied by in situ X-ray powder diffraction and solid state NMR

Polyhedron ◽  
2019 ◽  
Vol 164 ◽  
pp. 123-131 ◽  
Author(s):  
Thierry Bataille ◽  
Amira Bouhali ◽  
Cassandre Kouvatas ◽  
Chahrazed Trifa ◽  
Nathalie Audebrand ◽  
...  
Keyword(s):  
Solid State ◽  
Powder Diffraction ◽  
Solid State Nmr ◽  
Structural Transformations ◽  
X Ray

Unraveling the Hydrogen Bond Network in a Theophylline–Pyridoxine Salt Cocrystal by a Combined X-ray Diffraction, Solid-State NMR, and Computational Approach

2018 ◽  
Vol 18 (4) ◽  
pp. 2225-2233 ◽  
Author(s):  
Federica Rossi ◽  
Paolo Cerreia Vioglio ◽  
Simone Bordignon ◽  
Valeria Giorgio ◽  
Carlo Nervi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Solid State Nmr ◽  
Computational Approach ◽  
Hydrogen Bond Network ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Network

scholarly journals Polymorphs of Rb3ScF6: X-ray and Neutron Diffraction, Solid-State NMR, and Density Functional Theory Calculations Study

2021 ◽  
Vol 60 (8) ◽  
pp. 6016-6026
Author(s):  
Aydar Rakhmatullin ◽  
Maxim S. Molokeev ◽  
Graham King ◽  
Ilya B. Polovov ◽  
Konstantin V. Maksimtsev ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Solid State ◽  
Neutron Diffraction ◽  
Solid State Nmr ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
X Ray

scholarly journals A New Methodological Approach to Correlate Protective and Microscopic Properties by Soft X-ray Microscopy and Solid State NMR Spectroscopy: The Case of Cusa’s Stone

2021 ◽  
Vol 11 (13) ◽  
pp. 5767
Author(s):  
Veronica Ciaramitaro ◽  
Alberto Spinella ◽  
Francesco Armetta ◽  
Roberto Scaffaro ◽  
Emmanuel Fortunato Gulino ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Solid State Nmr ◽  
Methodological Approach ◽  
Polymer Chains ◽  
General Question ◽  
Protective Agent ◽  
Vapour Permeability ◽  
X Ray ◽  
Solid State Nmr Spectroscopy

Hydrophobic treatment is one of the most important interventions usually carried out for the conservation of stone artefacts and monuments. The study here reported aims to answer a general question about how two polymers confer different protective performance. Two fluorinated-based polymer formulates applied on samples of Cusa’s stone confer a different level of water repellence and water vapour permeability. The observed protection action is here explained on the basis of chemico-physical interactions. The distribution of the polymer in the pore network was investigated using scanning electron microscopy and X-ray microscopy. The interactions between the stone substrate and the protective agents were investigated by means of solid state NMR spectroscopy. The ss-NMR findings reveal no significant changes in the chemical neighbourhood of the observed nuclei of each protective agent when applied onto the stone surface and provide information on the changes in the organization and dynamics of the studied systems, as well as on the mobility of polymer chains. This allowed us to explain the different macroscopic behaviours provided by each protective agent to the stone substrate.

Cross-β Spine Architecture of Fibrils Formed by the Amyloidogenic Segment NFGSVQFV of Medin from Solid-State NMR and X-ray Fiber Diffraction Measurements†

Biochemistry ◽  
2009 ◽  
Vol 48 (14) ◽  
pp. 3089-3099 ◽  
Author(s):  
Jillian Madine ◽  
Alastair Copland ◽  
Louise C. Serpell ◽  
David A. Middleton
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
X Ray ◽  
Fiber Diffraction
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