Molecular dynamics simulations were performed to study the hydration and ion association properties of a library of zwitterionic molecules with varying charged moieties and spacer chemistries in pure water and with Na and Cl ions. The structure and dynamics of associations were calculated using the radial distribution and residence time correlation function. Resulting association properties are used as target variables for a machine learning model, with cheminformatic descriptors of the molecule subunits used as descriptors.
View Article and Find Full Text PDFBioresorbable polymers, including polyesters and polypeptides, are being widely used in the medical field. However, these materials still suffer from some long-standing challenges, such as material-induced blood coagulation, foreign body response, non-adjustable degradation rate, and absence of elastic properties. In this work, we explored a new approach to address these challenges by incorporating critical anti-fouling, improved mechanical and controllable degradation properties into the existing bioresorbable polymers.
View Article and Find Full Text PDFBiofilms have been a long-standing challenge for healthcare, water transport, and many other industries. They lead to bacterial growth and infections in animals, food products, and humans, cause premature removal of the implanted materials or devices from patients, and facilitate fouling and corrosion of metals. Despite some published and patented methods on minimizing the effects of biofilms for a short period (less than two weeks), there exists no successful means to mitigate or prevent the long-term formation of biofilms.
View Article and Find Full Text PDFBackground: Atypical fibroxanthoma (AFX) and undifferentiated pleomorphic sarcoma (UPS) are uncommon, spindle cell cutaneous malignancies. Solid organ transplant recipients (SOTRs) are immunosuppressed and therefore have a higher incidence of cutaneous malignancies.
Objective: We describe the clinical spectrum of AFX and a more-aggressive, deeper variant, UPS, in SOTRs.
Horizontal binocular disparities provide information about the distance of objects relative to the point of ocular fixation and must be combined with an estimate of viewing distance to recover the egocentric distance of an object. Vergence angle and the gradient of vertical disparities across the visual field are thought to provide independent sources of viewing distance information based on human behavioral studies. Although the effect of vergence angle on horizontal disparity selectivity in early visual cortex has been examined (with mixed results), the effect of the vertical disparity field has not been explored.
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