Refined Structure of Metastable Ice XVII from Neutron Diffraction Measurements

The structure of the recently identified metastable ice XVII, obtained by release of hydrogen from the C$_0$ D$_2$O-H$_2$ compound (filled ice), has been accurately measured by neutron powder diffraction. The diffraction pattern is indexed with a hexagonal cell and can be refined with space group $P6_122$ so to obtain accurate values of the oxygen and deuterium positions. The values of the lattice constants at three temperatures between 25 to 100 K are reported, and their behavior is compared with that of ice Ih. Ice XVII is a porous solid that, if exposed to H$_2$ gas, may adsorb a substantial amount of it. Monitoring this effect at a constant temperature of 50 K, we have observed that the two lattice constants show opposite behavior, $a$ increases and $c$ decreases, with the volume showing a linear increase. At temperatures higher than 130 K the metastability of this form of porous ice is lost and the sample transforms into ice Ih

In situ Raman and neutron spectroscopy of complex hydrides

The search of suitable hydrides for hydrogen storage can benefit from Raman and neutron spectroscopy, especially when it is possible to exploit these diagnostic techniques in situ, that is, in controlled conditions of gas pressure and temperature. In this way it is possible to observe and monitor phase transitions or sample chemical decomposition. In our laboratory we have studied the vibrational spectrum of several complex hydride compounds both at cryogenic temperature (15 K) and during or after thermal treatment at high temperature (up to 600 K), in a controlled atmosphere. In particular, in this talk I will present the results of the characterization of bulk samples of Mg(BH4)2 and AlH3 where the proportions of the different phases can be changed by different thermal treatments. Additionally, both Raman and neutron spectra of Na3AlH6, recorded at low temperature, have disclosed the presence of low frequency lattice modes, that have been compared with computational results

Quantum calculation of inelastic neutron scattering spectra of a hydrogen molecule inside a nanoscale cavity based on rigorous treatment of the coupled translation-rotation dynamics

We present a quantum methodology for the calculation of the inelastic neutron scattering (INS) spectra of an ${\mathrm{H}}_{2}$ molecule confined in a nanoscale cavity. Our approach incorporates the coupled five-dimensional translation-rotation (TR) energy levels and wave functions of the guest molecule. The computed INS spectra are highly realistic and reflect in full the complexity of the coupled TR dynamics on the anisotropic potential energy surfaces of the confining environment. Utilizing this methodology, we simulate the INS spectra of $p$- and $o$-H${}_{2}$ in the small cage of the structure II clathrate hydrate and compare them with the experimental data

Crystal structure of solid Oxygen at high pressure and low temperature

Results of X-ray diffraction experiments on solid oxygen at low temperature and at pressures up to 10 GPa are presented.A careful sample preparation and annealing around 240 K allowed to obtain very good diffraction patterns in the orthorhombic delta-phase. This phase is stable at low temperature, in contrast to some recent data [Y. Akahama et al., Phys. Rev. B64, 054105 (2001)], and transforms with decreasing pressure into a monoclinic phase, which is identified as the low pressure alpha-phase. The discontinuous change of the lattice parameters, and the observed metastability of the alpha-phase increasing pressure suggest that the transition is of the first order.Comment: 4 pages with three figure

Bubbles and outflows: the novel JWST/NIRSpec view of the z=1.59 obscured quasar XID2028

Quasar feedback in the form of powerful outflows is invoked as a key mechanism to quench star formation in galaxies, although direct observational evidence is still scarce and debated. Here we present Early Release Science JWST NIRSpec IFU observations of the z=1.59 prototypical obscured quasar XID2028: this target represents a unique test case to study QSO feedback at the peak epoch of AGN-galaxy co-evolution thanks to its existing extensive multi-wavelength coverage and massive and extended outflow detected both in the ionised and molecular components. With the unprecedented sensitivity and spatial resolution of JWST, the NIRSpec dataset reveals a wealth of structures in the ionised gas kinematics and morphology previously hidden in the seeing-limited ground-based data. In particular, we find evidence of interaction between the interstellar medium of the galaxy and the QSO-driven outflow and radio jet, which is producing an expanding bubble from which the fast and extended wind detected in previous observations is emerging. The new observations confirm the complex interplay between the AGN jet/wind and the ISM of the host galaxy, highlighting the role of low luminosity radio jets in AGN feedback, and showcase the new window opened by NIRSpec on the detailed study of feedback at high redshift.Comment: 12 pages, 11 figures, submitted to A&A. Comments welcom

Predictive significance of circulating histones in hepatocellular carcinoma patients treated with sorafenib

Background: Predictive biomarkers for advanced hepatocellular carcinoma are lacking. EZH2 drives sorafenib resistance through H3K27me3 and is counteracted by SETD2, which catalyzes H3K36me3. The authors tested the predictive power of circulating H3K27me3 and H3K36me3 in advanced hepatocellular carcinoma patients treated with sorafenib. Methods: A total of 80 plasma samples were tested for histone variants by ELISA. Changes from baseline to best response or progressive disease were correlated with patient survival. Results: A higher EZH2/SETD2 ratio predicted worse prognosis in this setting. H3K27me3 and H3K36me3 decreased from baseline to best response. The H3K27me3/H3K36me3 ratio increased from baseline to progressive disease. Higher ratios at best response were associated with shorter progression-free survival. Conclusion: The authors suggest that circulating H3K27me3/H3K36me3 ratio level acts as a predictive biomarker for sorafenib treatment outcomes in patients with advanced hepatocellular carcinoma