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Proposal for a New Diagnostic Histopathological Approach in the Evaluation of Ki-67 in GEP-NETs.
Diagnostics (Basel)
August 2022
Department of Psychology and Neuroscience, Randolph-Macon College, Ashland, VA 23005, USA.
Introduction: Studies have shown that the Ki-67 index is a valuable biomarker for the diagnosis, and classification of gastro-entero-pancreatic neuroendocrine tumors (GEP-NETs). We re-evaluated the expression of Ki-67 based on the intensity of the stain, basing our hypothesis on the fact that the Ki-67 protein is continuously degraded.
Background: The aim was to evaluate whether a new scoring method would be more effective in classifying NETs by reducing staining heterogeneity.
Mixed quantal-semiquantal dynamics with stochastic particles for backreaction.
J Chem Phys
October 2014
Department of Chemistry, Graduate School of Science, Kyoto University, Sakyo-ku, Kyoto 606-8502, Japan.
A mixed quantal-semiquantal theory is presented in which the semiquantal squeezed-state wave packet describes the heavy degrees of freedom. Starting from the mean-field equations of motion that are naturally derived from the time-dependent variational principle, we introduce the stochastic particle description for both the quantal and semiquantal parts in an aim to take into account the interparticle correlation, in particular the "quantum backreaction" beyond the mean-field approximation. A numerical application on a model of O2 scattering from a Pt surface demonstrates that the proposed scheme gives correct asymptotic behavior of the scattering probability, with improvement over the mixed quantum-classical scheme with Bohmian particles, which is comprehended by comparing the Bohmian and the stochastic trajectories.
View Article and Find Full Text PDFSemiquantal molecular dynamics simulations of hydrogen-bond dynamics in liquid water using multi-dimensional Gaussian wave packets.
J Chem Phys
November 2012
Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502, Japan.
A semiquantal (SQ) molecular dynamics (MD) simulation method based on an extended Hamiltonian formulation has been developed using multi-dimensional thawed gaussian wave packets (WPs), and applied to an analysis of hydrogen-bond (H-bond) dynamics in liquid water. A set of Hamilton's equations of motion in an extended phase space, which includes variance-covariance matrix elements as auxiliary coordinates representing anisotropic delocalization of the WPs, is derived from the time-dependent variational principle. The present theory allows us to perform real-time and real-space SQMD simulations and analyze nuclear quantum effects on dynamics in large molecular systems in terms of anisotropic fluctuations of the WPs.
View Article and Find Full Text PDFExploring the importance of quantum effects in nucleation: the archetypical Ne(n) case.
J Chem Phys
July 2012
Laboratoire Collisions Agrégats Réactivité-IRSAMC, Université Paul Sabatier, 118 Route de Narbonne, 31062 Toulouse, France.
The effect of quantum mechanics (QM) on the details of the nucleation process is explored employing Ne clusters as test cases due to their semi-quantal nature. In particular, we investigate the impact of quantum mechanics on both condensation and dissociation rates in the framework of the microcanonical ensemble. Using both classical trajectories and two semi-quantal approaches (zero point averaged dynamics, ZPAD, and Gaussian-based time dependent Hartree, G-TDH) to model cluster and collision dynamics, we simulate the dissociation and monomer capture for Ne(8) as a function of the cluster internal energy, impact parameter and collision speed.
View Article and Find Full Text PDFSemiquantal analysis of adiabatic hydrogen transfer rate.
J Chem Phys
April 2008
Department of Chemistry, Graduate School of Science, Kyoto University, Sakyo-ku, Kyoto 606-8502, Japan.
The reaction rate of adiabatic proton/hydrogen/hydride (H) transfers in condensed phase is examined by combining the semiquantal time-dependent Hartree theory and the multidimensional transition state theory, which takes into account the zero-point effect and the dynamical modulation of the wavepacket width in the adiabatic transfer regime. By applying the theory to a model potential consisting of a quartic double well coupled linearly and quadratically (symmetrically) to external degrees of freedom, a set of compact analytical formulas was derived for the adiabatic H transfer rate. The analysis suggests that the kinetic isotope effect on the H transfer rate may exhibit a maximum as a function of the coupling strength to the external degrees of freedom measured by the reorganization energy.
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