Stark Ionization of Atoms and Molecules within Density Functional Resonance Theory

We show that the energetics and lifetimes of resonances of finite systems under an external electric field can be captured by Kohn--Sham density functional theory (DFT) within the formalism of uniform complex scaling. Properties of resonances are calculated self-consistently in terms of complex densities, potentials and wavefunctions using adapted versions of the known algorithms from DFT. We illustrate this new formalism by calculating ionization rates using the complex-scaled local density approximation and exact exchange. We consider a variety of atoms (H, He, Li and Be) as well as the hydrogen molecule. Extensions are briefly discussed.Comment: 5 pages, 5 figures. This document is the unedited Author's version of a Submitted Work that was subsequently accepted for publication in J.Phys.Chem.Lett., copyright (c) American Chemical Society after peer review. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/jz401110

Pressure-induced Spin-Peierls to Incommensurate Charge-Density-Wave Transition in the Ground State of TiOCl

The ground state of the spin-Peierls system TiOCl was probed using synchrotron x-ray diffraction on a single-crystal sample at T = 6 K. We tracked the evolution of the structural superlattice peaks associated with the dimerized ground state as a function of pressure. The dimerization along the b axis is rapidly suppressed in the vicinity of a first-order structural phase transition at Pc = 13.1(1) GPa. The high-pressure phase is characterized by an incommensurate charge density wave perpendicular to the original spin chain direction. These results show that the electronic ground state undergoes a fundamental change in symmetry, indicating a significant change in the principal interactions.Comment: 5 pages, 4 figure

In-situ high-pressure powder X-ray diffraction study of α -zirconium phosphate

The high-pressure structural chemistry of -zirconium phosphate, -Zr(HPO4) 2H2O, was studied using in-situ high-pressure diffraction and synchrotron radiation. The layered phosphate was studied under both hydrostatic and non-hydrostatic conditions and Rietveld refinement carried out on the resulting diffraction patterns. It was found that under hydrostatic conditions no uptake of additional water molecules from the pressure-transmitting medium occurred, contrary to what had previously been observed with some zeolite materials and a layered titanium phosphate. Under hydrostatic conditions the sample remained crystalline up to 10 GPa, but under non-hydrostatic conditions the sample amorphized between 7.3 and 9.5 GPa. The calculated bulk modulus, K 0 = 15.2 GPa, showed the material to be very compressible with the weak linkages in the structure of the type Zr—O—P

Understanding Pure CLIP Guidance for Voxel Grid NeRF Models

We explore the task of text to 3D object generation using CLIP. Specifically, we use CLIP for guidance without access to any datasets, a setting we refer to as pure CLIP guidance. While prior work has adopted this setting, there is no systematic study of mechanics for preventing adversarial generations within CLIP. We illustrate how different image-based augmentations prevent the adversarial generation problem, and how the generated results are impacted. We test different CLIP model architectures and show that ensembling different models for guidance can prevent adversarial generations within bigger models and generate sharper results. Furthermore, we implement an implicit voxel grid model to show how neural networks provide an additional layer of regularization, resulting in better geometrical structure and coherency of generated objects. Compared to prior work, we achieve more coherent results with higher memory efficiency and faster training speeds

Prognostic value of lymphocyte-to-monocyte ratio and neutrophil-to-lymphocyte ratio in follicular lymphoma: a retrospective cohort study.

OBJECTIVES: The clinical course and prognosis of follicular lymphoma (FL) are diverse and associated with the patient's immune response. We investigated the lymphocyte-to-monocyte ratio (LMR) and neutrophil-to-lymphocyte ratio (NLR) as prognostic factors in patients with FL, including those receiving radiotherapy. DESIGN: A retrospective cohort study. SETTING: Regional cancer centre in Hong Kong. PARTICIPANTS: 88 patients with histologically proven FL diagnosed between 2000 and 2014. MATERIALS AND METHODS: The best LMR and NLR cut-off values were determined using cross-validated areas under the receiver operating characteristic curves. The extent to which progression-free survival (PFS) and overall survival differed by NLR and LMR cut-off values was assessed using Kaplan-Meier analysis and log-rank tests. A Cox proportional hazards model was fitted to adjust for confounders. RESULTS: The best cut-off values for LMR and NLR were 3.20 and 2.18, respectively. The 5-year PFS was 73.6%. After multivariate adjustment, high LMR (>3.20) at diagnosis was associated with superior PFS, with a HR of 0.31 (95% CI 0.13 to 0.71), whereas high NLR at relapse was associated with poorer postprogression survival (HR 1.24, 95% CI 1.04 to 1.49). CONCLUSIONS: Baseline LMR and NLR at relapse were shown to be independent prognostic factors in FL. LMR and NLR are cheap and widely available biomarkers that could be used in combination with the Follicular Lymphoma International Prognostic Index by clinicians to better predict prognosis

Novel Synthesis and High Pressure Behavior of Na0.3CoO2 x 1.3 H2O and Related Phases

We have prepared powder samples of NaxCoO2 x yH2O using a new synthesis route. Superconductivity was observed in Na0.3CoO2 x 1.3H2O between 4 and 5K as indicated by the magnetic susceptibility. The bulk compressibilities of Na0.3CoO2 x 1.3H2O, Na0.3CoO2 x 0.6H2O and Na0.3CoO2 were determined using a diamond anvil cell and synchrotron powder diffraction. Chemical changes occurring under pressure when using different pressure transmitting media are discussed and further transport measurements are advocated.Comment: 7 pages, 4 figures, PRrapid submitte

A novel role for Gab2 in bFGF-mediated cell survival during retinoic acid–induced neuronal differentiation

Gab proteins amplify and integrate signals stimulated by many growth factors. In culture and animals, retinoic acid (RA) induces neuronal differentiation. We show that Gab2 expression is detected in neurons in three models of neuronal differentiation: embryonic carcinoma (EC) stem cells, embryonic stem cells, and primary neural stem cells (NSCs). RA treatment induces apoptosis, countered by basic FGF (bFGF). In EC cells, Gab2 silencing results in hypersensitivity to RA-induced apoptosis and abrogates the protection by bFGF. Gab2 suppression reduces bFGF-dependent activation of AKT but not ERK, and constitutively active AKT, but not constitutively active MEK1, reverses the hypersensitization. Thus, Gab2-mediated AKT activation is required for bFGF's protection. Moreover, Gab2 silencing impairs the differentiation of EC cells to neurons. Similarly, in NSCs, Gab2 suppression reduces bFGF-dependent proliferation as well as neuronal survival and production upon differentiation. Our findings provide the first evidence that Gab2 is an important player in neural differentiation, partly by acting downstream of bFGF to mediate survival through phosphoinositide 3 kinase–AKT

ARGONAUTE PIWI domain and microRNA duplex structure regulate small RNA sorting in Arabidopsis.

Small RNAs (sRNAs) are loaded into ARGONAUTE (AGO) proteins to induce gene silencing. In plants, the 5'-terminal nucleotide is important for sRNA sorting into different AGOs. Here we show that microRNA (miRNA) duplex structure also contributes to miRNA sorting. Base pairing at the 15th nucleotide of a miRNA duplex is important for miRNA sorting in both Arabidopsis AGO1 and AGO2. AGO2 favours miRNA duplexes with no middle mismatches, whereas AGO1 tolerates, or prefers, duplexes with central mismatches. AGO structure modelling and mutational analyses reveal that the QF-V motif within the conserved PIWI domain contributes to recognition of base pairing at the 15th nucleotide of a duplex, while the DDDE catalytic core of AtAGO2 is important for recognition of the central nucleotides. Finally, we rescued the adaxialized phenotype of ago1-12, which is largely due to miR165 loss-of-function, by changing miR165 duplex structure which we predict redirects it to AGO2

An Inhomogeneous Multispecies TASEP on a Ring

We reinterpret and generalize conjectures of Lam and Williams as statements about the stationary distribution of a multispecies exclusion process on the ring. The central objects in our study are the multiline queues of Ferrari and Martin. We make some progress on some of the conjectures in different directions. First, we prove their conjectures in two special cases by generalizing the rates of the Ferrari-Martin transitions. Secondly, we define a new process on multiline queues, which have a certain minimality property. This gives another proof for one of the special cases; namely arbitrary jump rates for three species.Comment: 21 pages, 1 figure. major changes in exposition; definitions clarified and terminology made more self-containe

Comercio de Marfil: el alto precio de un negocio que amenaza las especies

Treball presentat a l'assignatura de Deontologia i Veterinària Legal (21223