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Hierarchical MAP Denoising of Longitudinal Hamilton Depression Rating Scores.
Proceedings (IEEE Int Conf Bioinformatics Biomed)
December 2021
Dept. of Radiology and Biomedical Imaging, Dept. of Electrical Engineering, Yale University, New Haven, CT.
The Hamilton Depression Rating Scale provides ordinal ratings for evaluating different aspects of depression. These ratings are usually quite noisy, and longitudinal patterns in the ratings can be difficult to discern. This paper proposes a hierarchical maximum-a-posteriori (MAP) method for denoising the ordinal time series of such ratings.
View Article and Find Full Text PDFKinematic Reconstruction of Cyclic Peptides and Protein Backbones from Partial Data.
J Chem Inf Model
October 2021
Department of Applied Mathematics and Statistics, Stony Brook University, Stony Brook, New York 11794, United States.
We present an algorithm, QBKR (Quaternary Backbone Kinematic Reconstruction), a fast analytical method for an all-atom backbone reconstruction of proteins and linear or cyclic peptide chains from coordinate traces. Unlike previous analytical methods for deriving all-atom representations from coarse-grained models that rely on canonical geometry with in the conformation, our kinematic model incorporates noncanonical, -, geometry naturally. Perturbations to this geometry can be effected with ease in our formulation, for example, to account for a continuous change from to geometry.
View Article and Find Full Text PDFOn the crystal chemistry of inorganic nitrides: crystal-chemical parameters, bonding behavior, and opportunities in the exploration of their compositional space.
Chem Sci
February 2021
Earth and Planets Laboratory, Carnegie Institution for Science Washington D.C. 20015 USA
The scarcity of nitrogen in Earth's crust, combined with challenging synthesis, have made inorganic nitrides a relatively unexplored class of compounds compared to their naturally abundant oxide counterparts. To facilitate exploration of their compositional space modeling, and to help structure verification not limited to inferring the oxidation state of redox-active cations, we derive a suite of bond-valence parameters and Lewis acid strength values for 76 cations observed bonding to N, and further outline a baseline statistical knowledge of bond lengths for these compounds. Examination of structural and electronic effects responsible for the functional properties and anomalous bonding behavior of inorganic nitrides shows that many mechanisms of bond-length variation ubiquitous to oxide and oxysalt compounds (, lone-pair stereoactivity, the Jahn-Teller and pseudo Jahn-Teller effects) are similarly pervasive in inorganic nitrides, and are occasionally observed to result in greater distortion magnitude than their oxide counterparts.
View Article and Find Full Text PDFArtificial organisms as tools for the development of psychological theory: Tolman's lesson.
Cogn Process
December 2007
Department of Relational Sciences, University of Naples Federico II, Naples, Italy.
In the 1930s and 1940s, Edward Tolman developed a psychological theory of spatial orientation in rats and humans. He expressed his theory as an automaton (the "schematic sowbug") or what today we would call an "artificial organism." With the technology of the day, he could not implement his model.
View Article and Find Full Text PDFThyroid hormone for preventing of neurodevelopmental impairment in preterm infants.
Cochrane Database Syst Rev
July 2000
Department of Neonatal Medicine, Royal Prince Alfred Hospital, Missenden Rd, Camperdown, Sydney, NSW, Australia, 2050.
Background: Observational studies have shown an association between transiently low thyroid hormone levels in preterm infants in the first weeks of life (transient hypothyroxemia) and an abnormal neurodevelopmental outcome. Thyroid hormone therapy might prevent this morbidity.
Objectives: To assess whether thyroid hormone therapy in preterm infants without congenital hypothyroidism results in clinically important changes in neonatal and long term outcomes in terms of both benefits and harms.
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