Application of Neutron Scattering in Amino Acid Crystals – Structural and Dynamical Information

In this work results of neutron powder diffraction and inelastic neutron scattering on aliphatic amino acid (L-alanine, L-valine and L-leucine) crystals are presented. The study allows inferring important informations about both the stability of the structures and the dynamics of phase transitions. In particular, it was possible to compare the behavior of different amino acids and to infer that changes in the mean-square displacements observed for two deuterated forms of L-alanine ND3+ – C2H4 – CO2- and NH3+ – C2D4 – CO2- are due to a structural rearrangement related to thermally activated amplitude reorientation of NH3+ and CO2-. Conformation changes in L-valine and L-leucine related to the phase transition are also discussed

Metamagnetism and soliton excitations in the modulated ferromagnetic Ising chain CoV2O6

We report a combination of physical property and neutron scattering measurements for polycrystalline samples of the one-dimensional spin chain compound CoV2O6. Heat capacity measurements show that an effective S = 1/2 state is found at low temperatures and that magnetic fluctuations persist up to 6.Tn. Above Tn = 6.3 K, measurements of the magnetic susceptibility as a function of T and H show that the nearest neighbour exchange is ferromagnetic. In the ordered state, we have discovered a crossover from a metamagnet with strong fluctuations between 5 K and Tn to a state with a 1/3 magnetisation plateau at 2 < T < 5 K. We use neutron powder diffraction measurements to show that the AFM state has incommensurate long range order and inelastic time of flight neutron scattering to examine the magnetic fluctuations as a function of temperature. Above Tn, we find two broad bands between 3.5 and 5 meV and thermally activated low energy features which correspond to transitions within these bands. These features show that the excitations are deconfined solitons rather than the static spin reversals predicted for a uniform FM Ising spin chain. Below Tn, we find a ladder of states due to the confining effect of the internal field. A region of weak confinement below Tn, but above 5 K, is identified which may correspond to a crossover between 2D and 3D magnetic ordering.Comment: Expanded version, includes results from arXiv:0804.2966 and neutron powder diffraction. To appear in PR

Effect of Paclitaxel in the Water Dynamics of MCF-7 Breast Cancer Cells Revealed by Dielectric Spectroscopy

Using dielectric spectroscopy experiments performed at multiple temperatures and frequency ranges, we demonstrate how the chemotherapy drug paclitaxel changes the dynamic properties of water in a breast cancer cell line (MCF-7). From the measured data, we present evidence that treatment with paclitaxel leads to a slight increase in activation energy in a relaxation related to bulk-like water. More importantly, we also observe that paclitaxel changes the constraining imposed by the biological interfaces on hydration water, whose single-particle dynamics becomes slower and with higher activation energy. These variations are only observable after freezing the dynamics from other cellular components, such as proteins and DNAs, regardless of the state of the cells, that is, treated or not treated or even if the cells are no longer viable. Therefore, changes in water dynamics could be detected prior to those related to the global dynamics within the cellular environment.They acknowledge the financial support from the European Union’s Horizon 2020 research and innovation programme (grant agreement 731019—EUSMI). M.L.M. is funded by FAPEG (20171026700070) and CNPQ (205609/2014-7 and 300509/2017-0). S.A.I., AA, and J.C.L. also acknowledge the financial support from IT-1175-19 and Ministerio de Ciencia, Innovación y Universidades, project: PGC2018-094548-B-I00 (MCIU/AEI/FEDER UE).Peer reviewe

From BASIS to MIRACLES:Benchmarking and perspectives for high-resolution neutron spectroscopy at the ESS

Results based on virtual instrument models for the first high-flux, high-resolution, spallation based, backscattering spectrometer, BASIS are presented in this paper. These were verified using the Monte Carlo instrument simulation packages McStas and VITESS. Excellent agreement of the neutron count rate at the sample position between the virtual instrument simulation and experiments was found, in both time and energy distributions. This achievement was only possible after a new component for a bent single crystal analyser in McStas, using a Gaussian approximation, was developed. These findings are pivotal to the conceptual design of the next generation backscattering spectrometer, MIRACLES at the European Spallation Source

Lattice anisotropy in uranium ternary compounds: UTX

Several U-based intermetallic compounds (UCoGe, UNiGe with the TiNiSi structure type and UNiAl with the ZrNiAl structure type) and their hydrides were studied from the point of view of compressibility and thermal expansion. Confronted with existing data for the compounds with the ZrNiAl structure type a common pattern emerges. The direction of the U-U bonds with participation of the 5f states is distinctly the "soft" crystallographic direction, exhibiting also the highest coefficient of linear thermal expansion. The finding leads to an apparent paradox: the closer the U atoms are together in a particular direction the better they can be additionally compressed together by applied hydrostatic pressure. (C) 2012 Elsevier B. V. All rights reserved

Solitonic lattice and Yukawa forces in the rare earth orthoferrite TbFeO3

The control of domains in ferroic devices lies at the heart of their potential for technological applications. Multiferroic materials offer another level of complexity as domains can be either or both of a ferroelectric and magnetic nature. Here we report the discovery of a novel magnetic state in the orthoferrite TbFeO3 using neutron diffraction under an applied magnetic field. This state has a very long incommensurate period ranging from 340 Angstrom at 3K to 2700 Angstrom at the lowest temperatures and exhibits an anomalously large number of higher-order harmonics, allowing us to identify it with the periodic array of sharp domain walls of Tb spins separated by many lattice constants. The Tb domain walls interact by exchanging spin waves propagating through the Fe magnetic sublattice. The resulting Yukawa-like force, familiar from particle physics, has a finite range that determines the period of the incommensurate state.Comment: 11 pages 14 figure

How mobile are protons in the structure of dental glass ionomer cements?

The development of dental materials with improved properties and increased longevity can save costs and minimize discomfort for patients. Due to their good biocompatibility, glass ionomer cements are an interesting restorative option. However, these cements have limited mechanical strength to survive in the challenging oral environment. Therefore, a better understanding of the structure and hydration process of these cements can bring the necessary understanding to further developments. Neutrons and X-rays have been used to investigate the highly complex pore structure, as well as to assess the hydrogen mobility within these cements. Our findings suggest that the lower mechanical strength in glass ionomer cements results not only from the presence of pores, but also from the increased hydrogen mobility within the material. The relationship between microstructure, hydrogen mobility and strength brings insights into the material's durability, also demonstrating the need and opening the possibility for further research in these dental cements