Deuterium site occupancy and phase boundaries in ZrNiDx (0.87<=x<=3.0)

ZrNiDx samples with compositions between x=0.87 and x=3.0 were investigated by 2H magic-angle spinning nuclear magnetic resonance spectroscopy (MAS-NMR), powder x-ray diffraction (XRD), neutron vibrational spectroscopy (NVS), and neutron powder diffraction (NPD). The rigid-lattice MAS-NMR spectrum for a ZrNiD0.88 sample in the triclinic beta phase shows a single phase with two well-resolved resonances at +11.5 and −1.7 ppm, indicating that two inequivalent D sites are occupied, as was observed previously in ZrNiD1.0. For ZrNiD0.88, the ratio of spectral intensities of the two lines is 1:0.76, indicating that the D site corresponding to the +11.5 ppm line has the lower site energy and is fully occupied. Similarly, the neutron vibrational spectra for ZrNiD0.88 clearly confirm that at least two sites are occupied. For ZrNiD1.0, XRD indicates that ~5% of the metal atoms are in the gamma phase, corresponding to an upper composition for the beta phase of x=0.90±0.04, consistent with the MAS-NMR and neutron vibrational spectra indicating that x=0.88 is single phase. The MAS-NMR and NVS of ZrNiD1.87 indicate a mixed-phase sample (beta+gamma) and clearly show that the two inequivalent sites observed at x=0.88 cannot be attributed to the sites normally occupied in the gamma phase. For ZrNiD2.75, NPD results indicate a gamma-phase boundary of x=2.86±0.03 at 300 K, increasing to 2.93±0.02 at 180 K and below, in general agreement with the phase boundary estimated from the NVS and MAS-NMR spectra of ZrNiD1.87. Rigid-lattice 2H MAS-NMR spectra of ZrNiD2.75 and ZrNiD2.99 show a ratio of spectral intensities of 1.8±0.1:1 and 2.1±0.1:1 (Zr3Ni:Zr3Ni2), respectively, indicating complete occupancy of the lower-energy Zr3Ni2 site, consistent with the NPD results. For each composition, the correlation time for deuterium hopping was determined at the temperature where resolved peaks in the MAS-NMR spectrum coalesce due to motion between inequivalent D sites. The measured correlation times are consistent with previously determined motional parameters for ZrNiHx

Nuclear Magnetic Resonance Evidence of Disorder and Motion in Yttrium Trideuteride

Three samples of YDx, with x ranging from 2.9 to nearly 3.0, were studied with deuterium nuclear magnetic resonance to gain insight into the locations of the D atoms in the lattice and their motions. Line shapes at low temperatures (200–330 K) show substantial disorder at some of the deuterium sites. Near 355 K, the spectrum sharpens to yield three uniaxial Pake patterns, reflecting a motional averaging process. However, the three measured intensities do not match the ratios expected from the neutron-determined, HoD3-like structure. This is strong evidence that the structure and space group of YD3 are different than reported, or that the current model needs adjustment. At still higher temperatures near 400 K, the Pake doublet features broaden, and a single sharp resonance develops, signalling a diffusive motion that carries all D atoms over all sites. The temperature at which line shape changes occur depends on the number of deuterium vacancies, 3-x. The changes occur at lower temperatures in the most defective sample, indicating the role of D-atom vacancies in the motional processes. The longitudinal relaxation rate T1-1 displays two regimes, being nearly temperature independent below 300 K and strongly thermally activated above. The relaxation rate depends on the number of deuterium vacancies, 3-x, varying an order of magnitude over the range of stoichiometries studied and suggesting that D-atom diffusion is involved. Also, the activation energy describing T1-1 (kB×5500 K) approximately matches that for diffusion. An unusual ω0-0.7 frequency dependence of T1-1 is observed. A relaxation mechanism is proposed in which diffusion is the rate-determining step and in which frequency dependence arises from a field-dependent radius of the relaxation zones

Researching COVID to enhance recovery (RECOVER) tissue pathology study protocol: Rationale, objectives, and design.

ImportanceSARS-CoV-2 infection can result in ongoing, relapsing, or new symptoms or organ dysfunction after the acute phase of infection, termed Post-Acute Sequelae of SARS-CoV-2 (PASC), or long COVID. The characteristics, prevalence, trajectory and mechanisms of PASC are poorly understood. The objectives of the Researching COVID to Enhance Recovery (RECOVER) tissue pathology study (RECOVER-Pathology) are to: (1) characterize prevalence and types of organ injury/disease and pathology occurring with PASC; (2) characterize the association of pathologic findings with clinical and other characteristics; (3) define the pathophysiology and mechanisms of PASC, and possible mediation via viral persistence; and (4) establish a post-mortem tissue biobank and post-mortem brain imaging biorepository.MethodsRECOVER-Pathology is a cross-sectional study of decedents dying at least 15 days following initial SARS-CoV-2 infection. Eligible decedents must meet WHO criteria for suspected, probable, or confirmed infection and must be aged 18 years or more at the time of death. Enrollment occurs at 7 sites in four U.S. states and Washington, DC. Comprehensive autopsies are conducted according to a standardized protocol within 24 hours of death; tissue samples are sent to the PASC Biorepository for later analyses. Data on clinical history are collected from the medical records and/or next of kin. The primary study outcomes include an array of pathologic features organized by organ system. Causal inference methods will be employed to investigate associations between risk factors and pathologic outcomes.DiscussionRECOVER-Pathology is the largest autopsy study addressing PASC among US adults. Results of this study are intended to elucidate mechanisms of organ injury and disease and enhance our understanding of the pathophysiology of PASC

Targeting and Cellular Trafficking of Magnetic Nanoparticles for Prostate Cancer Imaging

Antibody-conjugated iron oxide nanoparticles offer a specific and sensitive tool to enhance magnetic resonance (MR) images of both local and metastatic cancer. Prostate-specific membrane antigen (PSMA) is predominantly expressed on the neovasculature of solid tumors and on the surface of prostate cells, with enhanced expression following androgen deprivation therapy. Biotinylated anti-PSMA antibody was conjugated to streptavidin-labeled iron oxide nanoparticles and used in MR imaging and confocal laser scanning microscopic imaging studies using LNCaP prostate cancer cells. Labeled iron oxide nanoparticles are internalized by receptor-mediated endocytosis, which involves the formation of clathrin-coated vesicles. Endocytosed particles are not targeted to the Golgi apparatus for recycling but instead accumulate within lysosomes. In T 1 -weighted MR images, the signal enhancement owing to the magnetic particles was greater for cells with magnetic particles bound to the cell surface than for cells that internalized the particles. However, the location of the particles (surface vs internal) did not significantly alter their effect on T 2 -weighted images. Our findings indicate that targeting prostate cancer cells using PSMA offers a specific and sensitive technique for enhancing MR images

Radiation biology of medical imaging

x, 315 hlm. : ilus. ; tab. ; 26 cm

Targeting and Cellular Trafficking of Magnetic Nanoparticles for Prostate Cancer Imaging

Antibody-conjugated iron oxide nanoparticles offer a specific and sensitive tool to enhance magnetic resonance (MR) images of both local and metastatic cancer. Prostate-specific membrane antigen (PSMA) is predominantly expressed on the neovasculature of solid tumors and on the surface of prostate cells, with enhanced expression following androgen deprivation therapy. Biotinylated anti-PSMA antibody was conjugated to streptavidin-labeled iron oxide nanoparticles and used in MR imaging and confocal laser scanning microscopic imaging studies using LNCaP prostate cancer cells. Labeled iron oxide nanoparticles are internalized by receptor-mediated endocytosis, which involves the formation of clathrin-coated vesicles. Endocytosed particles are not targeted to the Golgi apparatus for recycling but instead accumulate within lysosomes. In T 1 -weighted MR images, the signal enhancement owing to the magnetic particles was greater for cells with magnetic particles bound to the cell surface than for cells that internalized the particles. However, the location of the particles (surface vs internal) did not significantly alter their effect on T 2 -weighted images. Our findings indicate that targeting prostate cancer cells using PSMA offers a specific and sensitive technique for enhancing MR images