The Experts below are selected from a list of 92598 Experts worldwide ranked by ideXlab platform
Nigel J Cairns - One of the best experts on this subject based on the ideXlab platform.
-
laminar distribution of the pathological changes in sporadic frontotemporal lobar degeneration with tdp 43 proteinopathy a quantitative study using polynomial curve fitting
Neuropathology and Applied Neurobiology, 2013Co-Authors: Richard A. Armstrong, Ronald L Hamilton, Ian R Mackenzie, John C Hedreen, Nigel J CairnsAbstract:Aims Previous data suggest heterogeneity in laminar distribution of the pathology in the Molecular Disorder frontotemporal lobar degeneration (FTLD) with transactive response (TAR) DNA-binding protein of 43kDa (TDP-43) proteinopathy (FTLD-TDP). To study this heterogeneity, we quantified the changes in density across the cortical laminae of neuronal cytoplasmic inclusions (NCI), glial inclusions (GI), neuronal intranuclear inclusions (NII), dystrophic neurites (DN), surviving neurons, abnormally enlarged neurons (EN), and vacuoles in regions of the frontal and temporal lobe.
-
a quantitative study of the neuropathology of 32 sporadic and familial cases of frontotemporal lobar degeneration with tdp 43 proteinopathy ftld tdp
Neuropathology and Applied Neurobiology, 2012Co-Authors: Richard A. Armstrong, Deborah Carter, Nigel J CairnsAbstract:To further characterize the neuropathology of the heterogeneous Molecular Disorder frontotemporal lobar degeneration (FTLD) with transactive response (TAR) DNA-binding protein of 43 kDa (TDP-43) proteinopathy (FTLD-TDP).
Richard A. Armstrong - One of the best experts on this subject based on the ideXlab platform.
-
laminar distribution of the pathological changes in sporadic frontotemporal lobar degeneration with tdp 43 proteinopathy a quantitative study using polynomial curve fitting
Neuropathology and Applied Neurobiology, 2013Co-Authors: Richard A. Armstrong, Ronald L Hamilton, Ian R Mackenzie, John C Hedreen, Nigel J CairnsAbstract:Aims Previous data suggest heterogeneity in laminar distribution of the pathology in the Molecular Disorder frontotemporal lobar degeneration (FTLD) with transactive response (TAR) DNA-binding protein of 43kDa (TDP-43) proteinopathy (FTLD-TDP). To study this heterogeneity, we quantified the changes in density across the cortical laminae of neuronal cytoplasmic inclusions (NCI), glial inclusions (GI), neuronal intranuclear inclusions (NII), dystrophic neurites (DN), surviving neurons, abnormally enlarged neurons (EN), and vacuoles in regions of the frontal and temporal lobe.
-
a quantitative study of the neuropathology of 32 sporadic and familial cases of frontotemporal lobar degeneration with tdp 43 proteinopathy ftld tdp
Neuropathology and Applied Neurobiology, 2012Co-Authors: Richard A. Armstrong, Deborah Carter, Nigel J CairnsAbstract:To further characterize the neuropathology of the heterogeneous Molecular Disorder frontotemporal lobar degeneration (FTLD) with transactive response (TAR) DNA-binding protein of 43 kDa (TDP-43) proteinopathy (FTLD-TDP).
Adam P Willard - One of the best experts on this subject based on the ideXlab platform.
-
modeling the influence of correlated Molecular Disorder on the dynamics of excitons in organic Molecular semiconductors
Journal of Physical Chemistry C, 2019Co-Authors: Chee Kong Lee, Liang Shi, Adam P WillardAbstract:In this paper, we investigate the role of correlated Molecular Disorder on the dynamics of excitons in oligothiophene-based organic semiconductors. We simulate exciton dynamics using the Frenkel ex...
-
modeling the effects of Molecular Disorder on the properties of frenkel excitons in organic Molecular semiconductors
Journal of Chemical Physics, 2018Co-Authors: Liang Shi, Adam P WillardAbstract:The Frenkel exciton model provides a convenient framework for simulating electronic excitations in organic conjugated systems that are too large to address with atomistic level electronic structure methods. Parameterization of this model is typically based on analytical expressions that incompletely describe the spatial and temporal correlations that are inherent to many condensed phase Molecular systems. In this manuscript, we present a general procedure for including these correlations in the Frenkel exciton model, by mapping them directly from all-atom Molecular configurations, for instance from classical Molecular dynamics. Regardless of system morphology, this mapping automatically captures the spatial and temporal Molecular correlations that are otherwise difficult or impossible to represent in terms of low-dimensional correlation functions. We apply this procedure to study the excited state properties of condensed phase materials made up of thiophene oligomers. We show that Frenkel model parameters can be mapped from a series of single molecule electronic structure calculations, and that for these materials efficient semi-empirical methods are sufficient to accurately reproduce experimental spectral measurements. By analyzing the statistics of model parameters derived from materials with different characteristic morphologies, we highlight failures in some assumptions that are commonly applied when generating model parameters. Finally, by simulating exciton dynamics on a mapped Frenekel exciton model, we demonstrate the ability to quantify the effect of material morphology on the dynamic properties of excitons.
Jianping Lang - One of the best experts on this subject based on the ideXlab platform.
-
how does a non c3 symmetry guest molecule fit into a c3 symmetry host cavity
Crystal Growth & Design, 2010Co-Authors: Wenhua Zhang, Dong Liu, Zhigang Ren, Yong Zhang, Jianping LangAbstract:Reactions of (NH4)2[MoOS3] with [Cu(MeCN)4](ClO4) and bis(3,5-dimethylpyrazolyl)methane (dmpzm) (molar ratio = 1:3:3) in MeCN produced a cationic cluster [MoOS3Cu3(dmpzm)3](ClO4) (1). 1 consists of a unique 3D hydrogen-bonded network with empty C3-symmetry cavities. A set of C3 (cyclohexane) or non-C3-symmetry solvent molecules (aniline, N,N′-dimethylformamide, formamide, and water) could recognize these C3-symmetry cavities and smartly fit themselves into them by converting themselves into C3-symmetry species through intriguing ways of symmetry-oriented Molecular Disorder and trimerlization.
Liang Shi - One of the best experts on this subject based on the ideXlab platform.
-
modeling the influence of correlated Molecular Disorder on the dynamics of excitons in organic Molecular semiconductors
Journal of Physical Chemistry C, 2019Co-Authors: Chee Kong Lee, Liang Shi, Adam P WillardAbstract:In this paper, we investigate the role of correlated Molecular Disorder on the dynamics of excitons in oligothiophene-based organic semiconductors. We simulate exciton dynamics using the Frenkel ex...
-
modeling the effects of Molecular Disorder on the properties of frenkel excitons in organic Molecular semiconductors
Journal of Chemical Physics, 2018Co-Authors: Liang Shi, Adam P WillardAbstract:The Frenkel exciton model provides a convenient framework for simulating electronic excitations in organic conjugated systems that are too large to address with atomistic level electronic structure methods. Parameterization of this model is typically based on analytical expressions that incompletely describe the spatial and temporal correlations that are inherent to many condensed phase Molecular systems. In this manuscript, we present a general procedure for including these correlations in the Frenkel exciton model, by mapping them directly from all-atom Molecular configurations, for instance from classical Molecular dynamics. Regardless of system morphology, this mapping automatically captures the spatial and temporal Molecular correlations that are otherwise difficult or impossible to represent in terms of low-dimensional correlation functions. We apply this procedure to study the excited state properties of condensed phase materials made up of thiophene oligomers. We show that Frenkel model parameters can be mapped from a series of single molecule electronic structure calculations, and that for these materials efficient semi-empirical methods are sufficient to accurately reproduce experimental spectral measurements. By analyzing the statistics of model parameters derived from materials with different characteristic morphologies, we highlight failures in some assumptions that are commonly applied when generating model parameters. Finally, by simulating exciton dynamics on a mapped Frenekel exciton model, we demonstrate the ability to quantify the effect of material morphology on the dynamic properties of excitons.