Columnar self-assembly of N,N ',N ''-trihexylbenzene-1,3,5-tricarboxamides investigated by means of NMR spectroscopy and computational methods in solution and the solid state
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Interfaces between peptides and metallic surfaces are the subject of great interest for possible use in technological and medicinal applications, mainly since organic systems present an extensive range of functionalities, are abundant, cheap, and exhibit l ...
A technique for shape-selective directed assembly of anisotropic, deformable, chemically-identical microcomponents onto patterned rigid templates based on shape and size differences is modeled and demonstrated. The assembly method not only controls the sel ...
Trinuclear versus dinuclear heterodimetallic (UO2+)-O-V center dot center dot center dot Co2+ complexes were selectively assembled via a cation-cation interaction by tuning the ligand. The trimeric complex 2, with a linear [Co-OvUvO-Co] core, exhibits magn ...
All organisms are made to a large extent of soft matter - macromolecules such as proteins and polysaccharides, or assemblies of small molecules such as lipids embedded in an aqueous environment. Understanding the role of order in soft matter presents a cha ...
Solid-state nuclear magnetic resonance (NMR) spectroscopy is an atomic-level method to determine the chemical structure, 3D structure and dynamics of solids and semi-solids. This Primer summarizes the basic principles of NMR spectroscopy as applied to the ...
The nature of the dynamics and structural changes that take place at the ferroelectric phase transition in lead oxides is a rich field of study. Solid-state nuclear magnetic resonance (NMR) of Pb-207 is well suited to study the local structure and disorder ...
The newly emerged and quickly growing science of nanotechnology has been recognized as one of ``the twenty-first century's great leaps forward in scientific knowledge''. Self-assembly provides a powerful enabling technique for nanotechnology by providing a ...
A three-dimensional structural model of a complex CO2-based organic framework made from high molecular weight, self-assembled, flexible and multi-functional oligomeric constituents has been determined de novo by solid-state NMR including DNP-enhanced exper ...
The simulation of the color optical properties of molecular dyes in liquid solution requires the calculation of time evolution of the solute absorption spectra fluctuating in the solvent at finite temperature. Time-averaged spectra can be directly evaluate ...
Structure determination of materials is key to understanding their physical properties. While single-crystal X-ray diffraction is the gold standard for structures displaying long-range order, many materials of interest are polycrystalline and/or disordered ...