Molecular conservation of estrogen-response associated with cell cycle regulation, hormonal carcinogenesis and cancer in zebrafish and human cancer cell lines

BMC Medical Genomics4

A simplified unified Hauser-Feshbach/Pre-Equilibrium model for calculating double differential cross sections

A unified Hauser-Feshbach/Pre-Equilibrium model is extended and simplified. The extension involves the addition of correlations among states of different total quantum numbers (J and J') and the introduction of consistent level density formulas for the H-F and the P-E parts of the calculation. The simplification, aimed at reducing the computational cost, is achieved mainly by keeping only the off-diagonal terms that involve strongly correlated 2p-1h states. A correlation coefficient is introduced to fit the experimental data. The model has been incorporated into the multistep H-F model code TNG. Calculated double differential (n,xn) cross sections at 14 and 25.7 MeV for iron, niobium, and bismuth are in good agreement with experiments. In use at ORNL and JAERI, the TNG code in various stages of development has been applied with success to the evaluation of double differential (n,xn) cross sections from 1 to 20 MeV for the dominant isotopes of chromium, manganese, iron, nickel, copper, and lead. 11 refs., 2 figs

Chiral Vibrational Structures of Proteins at Interfaces Probed by Sum Frequency Generation Spectroscopy

We review the recent development of chiral sum frequency generation (SFG) spectroscopy and its applications to study chiral vibrational structures at interfaces. This review summarizes observations of chiral SFG signals from various molecular systems and describes the molecular origins of chiral SFG response. It focuses on the chiral vibrational structures of proteins and presents the chiral SFG spectra of proteins at interfaces in the C-H stretch, amide I, and N-H stretch regions. In particular, a combination of chiral amide I and N-H stretches of the peptide backbone provides highly characteristic vibrational signatures, unique to various secondary structures, which demonstrate the capacity of chiral SFG spectroscopy to distinguish protein secondary structures at interfaces. On the basis of these recent developments, we further discuss the advantages of chiral SFG spectroscopy and its potential application in various fields of science and technology. We conclude that chiral SFG spectroscopy can be a new approach to probe chiral vibrational structures of protein at interfaces, providing structural and dynamic information to study in situ and in real time protein structures and dynamics at interfaces

Mass measurements of neutron-deficient Y, Zr, and Nb isotopes and their impact on rp and νp nucleosynthesis processes

© 2018 The Authors. Published by Elsevier B.V. This manuscript is made available under the terms of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International licence (CC BY-NC-ND 4.0). For further details please see: https://creativecommons.org/licenses/by-nc-nd/4.0/Using isochronous mass spectrometry at the experimental storage ring CSRe in Lanzhou, the masses of 82Zr and 84Nb were measured for the first time with an uncertainty of ∼10 keV, and the masses of 79Y, 81Zr, and 83Nb were re-determined with a higher precision. The latter are significantly less bound than their literature values. Our new and accurate masses remove the irregularities of the mass surface in this region of the nuclear chart. Our results do not support the predicted island of pronounced low α separation energies for neutron-deficient Mo and Tc isotopes, making the formation of Zr–Nb cycle in the rp-process unlikely. The new proton separation energy of 83Nb was determined to be 490(400) keV smaller than that in the Atomic Mass Evaluation 2012. This partly removes the overproduction of the p-nucleus 84Sr relative to the neutron-deficient molybdenum isotopes in the previous νp-process simulations.Peer reviewe

Patent Review (2017-2020) of the Keap1/Nrf2 Pathway Using PatSeer Pro: Focus on Autoimmune Diseases.

Research on the antioxidant pathway comprising the transcription factor nuclear factor erythroid 2-related factor 2 (Nrf2) and its cytoplasmic inhibitor Kelch-like ECH-associated protein 1 (Keap1) is ever increasing. As modulators of this pathway have started to be used in clinical trials and clinical practice, Nrf2 has become the subject of several patents. To assess the patent landscape of the last three years on Nrf2 and evaluate the main fields they refer to, we used the web-based tool PatSeer Pro to identify patents mentioning the Nrf2 pathway between January 2017 and May 2020. This search resulted in 509 unique patents that focus on topics such as autoimmune, neurodegenerative, liver, kidney, and lung diseases and refer to modulators (mainly activators) of the Nrf2 pathway as potential treatments. Autoimmunity emerged as the main theme among the topics of Nrf2 patents, including a broad range of diseases, such as systemic sclerosis, systemic lupus erythematosus, multiple sclerosis, inflammatory bowel diseases, Hashimoto's thyroiditis, etc.; however, there was a dearth of experimental support for the respective patents' claims. Given that chronic inflammation is the main element of the pathophysiology of most autoimmune diseases, the majority of patents referring to activation of Nrf2 as a method to treat autoimmune diseases base their claims on the well-established anti-inflammatory role of Nrf2. In conclusion, there is strong interest in securing intellectual property rights relating to the potential use of Nrf2 pathway activators in a variety of diseases, and this trend parallels the rise in related research publications. However, in the case of autoimmunity, more research is warranted to support the potential beneficial effects of Nrf2 modulation in each disease

HETC96/MORSE calculations of activations in KEK beam stop and room by 500-MeV protons and comparisons with experiments

The 1996 version of HETC has a pre-equilibrium reaction model to bridge the gap between the existing intranuclear-cascade and evaporation models. This code was used to calculate proton-induced activations, to calculate neutron fluxes for neutron energies above 19.6 MeV, and to write the neutron source for lower energies to be transported further by MORSE. For MORSE, the HILO cross section library was used for neutron transport for all detectors. Additionally for the {sup 197}Au(n, {gamma}) detector, the BUGLE96 library was used to study the effects of the low-lying {sup 57}Fe inelastic levels and the resonance self-shielding in iron. Neutron fluxes were obtained from the track-length estimator for detectors inside the beam stop and from the boundary-crossing estimator for detectors attached to the surfaces of the concrete walls. Activation cross sections given in JAERI-Data/Code are combined with the calculated neutron fluxes to get the saturated activities induced by neutrons. C/E values are too low (0.5) for Fe(N, {chi}){sup 54}Mn, close to unity for Cu(n, {chi}){sup 58}Co, and too high (6.0) for {sup 197}Au (n, {gamma}){sup 198}Au. It is difficult to interpret the disagreements because most of the activation cross sections are also calculated and their uncertainties are not known. However, the calculated results are in good agreement with those calculated by others using different codes. Calculated results for four of the ten activations reported here have not been done previously, and among the four, {sup 197}Au(n, {gamma}) is the most bothersome because its cross section is the most well known while the calculated activations for most detector locations are in largest disagreement with experiments

CALOR as a Single Code Including a Modular Version of HETC

The major components of CALOR are HETC, MORSE, EGS4, EGS4PREP, and SPECT, working sequentially on calorimeter detector for high energy physics, experimental analysis, or shielding studies. An effort to combine the components into a single code is described. The new code is modular in nature. For example, one may run only HETC and MORSE. In addition, HETC itself has become modular and may be run in three energy options--up to 2.5 GeV, 15 GeV, and 20 TeV. The size of the low-energy option of HETC is less than 40% of the original HETC. A great advantage of the new code is the elimination of three huge files for passing information from one component to another

Neutron emission spectra induced by 14-MeV neutrons from the Evaluated Nuclear Data File (ENDF/B-V): a critical review

Neutron emission spectra induced by 14.6-MeV incident neutrons, retrieved from ENDF/B-V, are graphically compared with experimental data by Hermsdorf et al. and Clayeux and Voignier. The elements selected for the comparisons include Na, Mg, Al, Si, Ca, Ti, V, Cr, Fe, Ni, Cu, Nb, W, and Pb. In addition to comparing the evaluated total neutron emission spectra with experimental data, individually evaluated spectra from contributing reactions are presented. Only a few of the evaluated spectra were found to agree well with the measured spectra, namely, those evaluations which utilized advanced nuclear model codes with precompound effects and competing binary and tertiary reactions. Recommendations for removing several defects in most evaluations are made. 3 figures

Some notes on the calculation of energy-angle correlated distributions with TNG and their representation in File 6 formats

The model code TNG has been extensively used in evaluation work of structural materials for ENDF/B-VI performed at Oak Ridge National Laboratory. A new aspect of ENDF/B-VI is the use of File 6 formats for energy-angle correlated data. Such data are generally calculated, anchored by experimental data. In this informal note we outline how the TNG results are calculated and entered in the File 6 formats. 4 refs

A tetrahedrally coordinated cobalt(II) phosphonate with a three-dimensional framework containing two-dimensional channels

The structure of poly[caesium( I) [( mu(4)- ethylenediphosphonato) cobalt( II)]], {Cs[ Co( C2H5O6P2)]} (n), reveals a three- dimensional polymeric open framework consisting of tetrahedral Co II atoms coordinated by four different ethylenediphosphonate O atoms and intermolecular O - H center dot center dot center dot O hydrogen bonds. The largest open window is made of corner- sharing CoO4 and PO3C tetrahedra, giving 16membered rings of dimensions 9.677 ( 5) * 4.684 ( 4) angstrom(2). There are two independent ethylenediphosphonate ligands, each lying about an inversion centre