Supplementary data for article: Vojislavljević-Vasilev, D.; Janjić, G. V.; Ninković, D.; Kapor, A.; Zarić, S. The Influence of Water Molecule Coordination onto the Water-Aromatic Interaction. Strong Interactions of Water Coordinating to a Metal Ion. CrystEngComm 2013, 15 (11), 2099–2105. https://doi.org/10.1039/c2ce25621e

Supplementary material for: [https://doi.org/10.1039/c2ce25621e]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/1602

Kinematic magnetic resonance imaging study of the brain stem and cervical cord by dynamic neck motion

Background: The aim was to examine the position of the brain stem and cervical cord following the neck flexion and extension. Materials and methods: The serial sagittal T2-weighted magnetic resonance imaging (MRI) sections of the cervical cord and brain stem were made in 6 volunteers. The images were mainly used to measure certain distances and angles of the brain stem and cervical cord in the neutral position, and then following the head and neck flexion and extension. Results: The measurements showed that the pons is slightly closer to the clivus following the neck flexion; the medulla oblongata is somewhat distant to the basion but closer to the odontoid process. At the same time, the spino-medullary angle diminishes in size. On the other hand, the upper cervical cord slightly approaches the posterior wall of the spinal canal, the lower cervical cord is closer to the anterior wall, while the angle between them is significantly larger in size. After the cervical cord extension, the rostral pons is somewhat distant to the clivus, whereas the caudal pons and the medulla are slightly closer to the clivus and the basion. At the same time, the spino-medullary angle diminishes in size. The cervical cord is mainly closer to the posterior wall of the spinal canal, whilst its angle is significantly smaller. Conclusions: The obtained results regarding the brain stem and cervical cord motion can be useful in the kinetic MRI examination of certain congenital disorders, degenerative diseases, and traumatic injuries of the craniovertebral junction and the cervical spine

Supplementary data for article: Vojislavljević-Vasilev, D.; Janjić, G. V.; Ninković, D.; Kapor, A.; Zarić, S. The Influence of Water Molecule Coordination onto the Water-Aromatic Interaction. Strong Interactions of Water Coordinating to a Metal Ion. CrystEngComm 2013, 15 (11), 2099–2105. https://doi.org/10.1039/c2ce25621e

Supplementary material for: [https://doi.org/10.1039/c2ce25621e]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/1602

Semiclassical description of Heisenberg models via spin-coherent states

We use spin-coherent states as a time-dependent variational ansatz for a semiclassical description of a large family of Heisenberg models. In addition to common approaches we also evaluate the square variance of the Hamiltonian in terms of coherent states. This quantity turns out to have a natural interpretation with respect to time-dependent solutions of the equations of motion and allows for an estimate of quantum fluctuations in a semiclassical regime. The general results are applied to solitons, instantons and vortices in several one- and two-dimensional models.Comment: 14 page

Evaluation of Watson-like Integrals for Hyper bcc Antiferromagnetic Lattice

Watson-like integrals for a d-dimensional bcc antiferromagnetic lattice I_d(\eta) and J_d(\eta) and another two similar integrals are evaluated in an exact way in terms of generalized hypergeometric functions. A simple formula connecting Id and Jd+1 is given along with the differential equations for I_d(\eta) and J_d(\eta). An application of I_d and J_d in the theory of the Heisenberg antiferromagnet is discussed, together with possible generalizations to non-integer values of d. Corresponding integrals for sc lattices are also briefly reviewed.Comment: 13 pages, 2 figures, Accepted for publication in Journal of Physics A: Mathematical & Theoretical 201

The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion

The interactions between water molecules (non-coordinating and coordinating) and aromatic rings were studied by analyzing data in the Cambridge Structural Database and by quantum chemical calculations. The results show the influence of water coordination to a metal ion; interactions of coordinating water are stronger. The MP2/def2-QZVP interaction energies of non-coordinating water and neutral aqua complexes [ScCl3(H2O)(3)], [ZnCl2(H2O)(4)], [CdCl2(H2O)(4)], and [ZnCl2(H2O)(2)] with benzene molecule are -3.36, -5.10, -5.43, -6.86, and -5.14 kcal mol(-1), respectively. Interactions of charged aqua complexes [ZnCl(H2O)(5)](+) and [Zn(H2O)(6)](2+) are stronger, -9.69 and -13.96 kcal mol(-1), respectively. The calculations also reveal strong long-range interactions: at the distance of 3.0 angstrom the interaction energies of neutral complexes are in the range of -4.11 to -4.91 kcal mol(-1), while interaction energies of charged complexes are -6.37 and -10.76 kcal mol(-1).Supplementary material: [http://cherry.chem.bg.ac.rs/handle/123456789/3555

STACKING INTERACTIONS BETWEEN PYRIDINE FRAGMENTS IN CRYSTAL STRUCTURES OF TERPYRIDYL COMPLEXES

In the crystal structures of terpyridyl complexes from the Cambridge Structural Database (CSD) stacking interaction between the pyridine fragments were studied. Square-planar complexes where the distance between the centers of two pyridine fragments was below 4.6 angstrom were retrieved from CSD. With this search 68 crystal structures with 167 interactions were found. In the interactions one, two or three pyridine fragments of one complex can be involved in overlapping with pyridine fragments of the other complex

Synthesis and biological evaluation of new pyrazole- and tetrazole-related C-nucleosides with modified sugar moieties

3(5)-Carboxamido-4-(beta-D-ribofuranosyl)pyrazoles bearing 2-benzamido (15) and 3-mesyloxy (29) isosteric groups, as well as the tetrazole C-nucleosides with 2-benzamido-2-deoxy-beta-D-ribofuranose (19) and 3-azido-3-deoxy-beta-D-xylofuranose (36) as sugar segments, have been synthesized starting from D-glucose, by utilizing the 2,5-anhydro-D-glucose ethylene acetal derivatives 1 and 20 as divergent intermediates. The C-nucleosides 15 and 36 were shown to be moderate inhibitors of the in vitro growth of both N2a and BHK 21 tumour cell lines, whereas 29 showed a selective, although not potent cytotoxic activity against N2a cells. Compound 29 also showed a moderate in vitro antiviral activity towards the rabies virus. (C) 2002 Elsevier Science Ltd. All rights reserved