polarity of tissues; polar crystals; local electrical fields; experimental methods for polarity characterization; polarity of inorganic-organic composites
Cannavacciuolo Luigi, Hulliger Jürg (2018), Spontaneous ordering at the free surface of molecular clusters, in Chemical Physics Letters
, 692, 364-366.
Cannavacciuolo Luigi, Hulliger Jürg (2017), Three-dimensional Ising model of polarity formation in molecular crystals, in Physica A: Statistical Mechanics and its Applications
, 484, 499-505.
Hulliger Jürg, Burgener Matthias, Hesterberg Rolf, Sommer Martin, Brahimi Khadidja, Aboulfadl Hanane (2017), Stochastic polarity formation in molecular crystals, composite materials and natural tissues, in IUCrJ
, 4(4), 360-368.
Cannavacciuolo Luigi, Hulliger Jürg (2016), Polarity formation in crystals with long range molecular interactions: A Monte Carlo study, in The Journal of Chemical Physics
, 145(12), 124502-124502.
Burgener Matthias, Aboulfadl Hanane, Labat Gaël Charles, Bonin Michel, Sommer Martin, Sankolli Ravish, Wübbenhorst Michael, Hulliger Jürg (2016), Peculiar orientational disorder in 4-bromo-4′-nitrobiphenyl (BNBP) and 4-bromo-4′-cyanobiphenyl (BCNBP) leading to bipolar crystals, in IUCrJ
, 3(3), 219-225.
Cannavacciuolo Luigi, Hulliger Jürg (2016), Polarity Formation in Molecular Crystals as a Symmetry Breaking Effect, in Symmetry
, 8(3), 10-10.
Aboulfadl Hanane, Hulliger Jürg (2015), Absolute polarity determination of teeth cementum by phase sensitive second harmonic generation microscopy, in Journal of Structural Biology
, 192(1), 67-75.
Burgener Matthias, Putzeys Tristan, Gashti Mazeyar Parvinzadeh, Busch Susanne, Aboulfadl Hanane, Wübbenhorst Michael, Kniep Rüdiger, Hulliger Jürg (2015), Polar Nature of Biomimetic Fluorapatite/Gelatin Composites: A Comparison of Bipolar Objects and the Polar State of Natural Tissue, in Biomacromolecules
, 16(9), 2814-2819.
1. SummaryThe present proposal is asking for a continuation and accomplishment of basic research in the field of stochastic polarity formation.Over a period of about 20 years, the group of the applicant has established a new research field covering basic theoretical, new experimental techniques with wide applications to molecular materials including living matter.Here, a final but broad and deep action is to be set up to understand stochastic polarity formation by performing research on (in relation to the COST action CM 1402) :(i) Monte Carlo and molecular dynamics simulations applied to condensed states of real dipolar molecules, taking into account long range interactions. Demonstration of a bi-polar state to be the natural stationary condensed state of dipolar matter.(ii) Calculation of the local electrical field in polar molecular crystals and investigation of their influence on the formation of polar order, including an experimental investigation by electron paramagnetic resonance (via doped in radicals).(iii) Basic theoretical predictions need further confirmation by studying the reversal transition in various polar molecular crystals and solid solutions thereof.(iv) Viedma ripening is a fascinating phenomenon. Here, we shall investigate a possible coupling of the Viedma mechanism to Markov-type polarity formation to obtain enantiomerically pure crystals.(v) Studying polarity generation in inorganic / organic composite materials where long chain biomolecules are involved are of great interest to study mechanisms of the molecule-to crystal-face recognition. Here, we will start from our pre-work on the bi-polar state of the apatite / gelatine composite and expand research into other minerals and macromolecules.(vi) The most complex topic of this proposal is devoted to polarity formation in natural tissues by using scanning pyroelectric microscopy and phase-sensitive second harmonic microscopy. Pre-work has demonstrated that both techniques can provide basic knowledge on the spatial distribution and the absolute orientation of the electrical polarization in tissues. The final goal is, to bring own experimental observations, data from literature and our theoretical predictions into agreement.All proposed work relies on a common ground which is given by orientational selectivity (order vs 180° disorder) of dipolar building blocks forming liquids, molecular crystals, biomimetic composites and natural tissues. By end of 2018 (retirement of the applicant) we attempt to achieve a most advanced view on stochastic polarity formation covering all materials and theoretical issues we have addressed above by closing present gaps between theoretical predictions and experimental data.