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  1. Article ; Online: Ab initio molecular dynamics free energy study of enhanced copper (II) dimerization on mineral surfaces

    Kevin Leung / Jeffery A. Greathouse

    Communications Chemistry, Vol 5, Iss 1, Pp 1-

    2022  Volume 8

    Abstract: Heterogeneous nucleation of metal oxyhydroxides on mineral surfaces is key to environmentally relevant crystal growth and dissolution, but the cation dimerization steps remain largely unexplored. Here, the authors use ab initio molecular dynamics ... ...

    Abstract Heterogeneous nucleation of metal oxyhydroxides on mineral surfaces is key to environmentally relevant crystal growth and dissolution, but the cation dimerization steps remain largely unexplored. Here, the authors use ab initio molecular dynamics calculations to examine the coordination structure of hydroxide-bridged Cu(II) dimers, and the free energy changes associated with Cu(II) dimerization on silica surfaces.
    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2022-06-01T00:00:00Z
    Publisher Nature Portfolio
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  2. Article ; Online: Prediction of total knee replacement using deep learning analysis of knee MRI

    Haresh Rengaraj Rajamohan / Tianyu Wang / Kevin Leung / Gregory Chang / Kyunghyun Cho / Richard Kijowski / Cem M. Deniz

    Scientific Reports, Vol 13, Iss 1, Pp 1-

    2023  Volume 11

    Abstract: Abstract Current methods for assessing knee osteoarthritis (OA) do not provide comprehensive information to make robust and accurate outcome predictions. Deep learning (DL) risk assessment models were developed to predict the progression of knee OA to ... ...

    Abstract Abstract Current methods for assessing knee osteoarthritis (OA) do not provide comprehensive information to make robust and accurate outcome predictions. Deep learning (DL) risk assessment models were developed to predict the progression of knee OA to total knee replacement (TKR) over a 108-month follow-up period using baseline knee MRI. Participants of our retrospective study consisted of 353 case–control pairs of subjects from the Osteoarthritis Initiative with and without TKR over a 108-month follow-up period matched according to age, sex, ethnicity, and body mass index. A traditional risk assessment model was created to predict TKR using baseline clinical risk factors. DL models were created to predict TKR using baseline knee radiographs and MRI. All DL models had significantly higher (p < 0.001) AUCs than the traditional model. The MRI and radiograph ensemble model and MRI ensemble model (where TKR risk predicted by several contrast-specific DL models were averaged to get the ensemble TKR risk prediction) had the highest AUCs of 0.90 (80% sensitivity and 85% specificity) and 0.89 (79% sensitivity and 86% specificity), respectively, which were significantly higher (p < 0.05) than the AUCs of the radiograph and multiple MRI models (where the DL models were trained to predict TKR risk using single contrast or 2 contrasts together as input). DL models using baseline MRI had a higher diagnostic performance for predicting TKR than a traditional model using baseline clinical risk factors and a DL model using baseline knee radiographs.
    Keywords Medicine ; R ; Science ; Q
    Subject code 610
    Language English
    Publishing date 2023-04-01T00:00:00Z
    Publisher Nature Portfolio
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  3. Article ; Online: CD97 is associated with mitogenic pathway activation, metabolic reprogramming, and immune microenvironment changes in glioblastoma

    Michael M. Safaee / Elaina J. Wang / Saket Jain / Jia-Shu Chen / Sabraj Gill / Allison C. Zheng / Joseph H. Garcia / Angad S. Beniwal / Y. Tran / Alan T. Nguyen / Melissa Trieu / Kevin Leung / Jim Wells / James M. Maclean / Keith Wycoff / Manish K. Aghi

    Scientific Reports, Vol 12, Iss 1, Pp 1-

    2022  Volume 13

    Abstract: Abstract Glioblastoma (GBM) is the most common primary brain tumor with a median survival under two years. Using in silico and in vitro techniques, we demonstrate heterogeneous expression of CD97, a leukocyte adhesion marker, in human GBM. Beyond its ... ...

    Abstract Abstract Glioblastoma (GBM) is the most common primary brain tumor with a median survival under two years. Using in silico and in vitro techniques, we demonstrate heterogeneous expression of CD97, a leukocyte adhesion marker, in human GBM. Beyond its previous demonstrated role in tumor invasion, we show that CD97 is also associated with upregulation of the mitogen-activated protein kinase/extracellular signal-regulated kinase (MAPK/Erk) and phosphatidylinositol 3-kinase/protein kinase B (PI3K/Akt) pathways in GBM. While CD97 knockout decreased Akt activation, CD97 targeting did not alter MAPK/Erk activation, did not slow GBM cell proliferation in culture, and increased levels of glycolytic and oxidative phosphorylation metabolites. Treatment with a soluble CD97 inhibitor did not alter activation of the MAPK/Erk and PI3K/Akt pathways. Tumors with high CD97 expression were associated with immune microenvironment changes including increased naïve macrophages, regulatory T cells, and resting natural killer (NK) cells. These data suggest that, while CD97 expression is associated with conflicting effects on tumor cell proliferative and metabolic pathways that overall do not affect tumor cell proliferation, CD97 exerts pro-tumoral effects on the tumor immune microenvironment, which along with the pro-invasive effects of CD97 we previously demonstrated, provides impetus to continue exploring CD97 as a therapeutic target in GBM.
    Keywords Medicine ; R ; Science ; Q
    Language English
    Publishing date 2022-01-01T00:00:00Z
    Publisher Nature Portfolio
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  4. Article ; Online: Identifying best approaches for engaging patients and family members in health informatics initiatives

    Brian Lo / Timothy Zhang / Kevin Leung / Rohan Mehta / Craig Kuziemsky / Richard G. Booth / Anna Chyjek / Sarah Collins Rossetti / Drew McLean / Elizabeth Borycki / David McLay / Justin Noble / Shawn Carter / Gillian Strudwick

    Research Involvement and Engagement, Vol 6, Iss 1, Pp 1-

    a case study of the Group Priority Sort technique

    2020  Volume 9

    Abstract: Abstract Background Patient engagement strategies in health service delivery have become more common in recent years. However, many healthcare organizations are challenged in identifying the best methods to engage patients in health information ... ...

    Abstract Abstract Background Patient engagement strategies in health service delivery have become more common in recent years. However, many healthcare organizations are challenged in identifying the best methods to engage patients in health information technology (IT) initiatives. Engaging with important stakeholders to identify effective opportunities can inform the development of a resource that addresses this issue and supports organizations in their endeavors. The purpose of this paper is to share our experience and lessons learned from applying a novel consensus-building technique in order to identify key elements for effective patient engagement in health IT initiatives. This will be done through a case study approach. Methods Patients, family members of patients, health professionals, researchers, students, vendor representatives and individuals who work in health IT roles in health organizations were engaged through a one-day symposium in Toronto, Canada in September, 2018. During the symposium, the Group Priority Sort technique was used to obtain structured feedback from symposium attendees in the context of small group discussions. Descriptive statistics and a content analysis were undertaken to analyze the data collected through the Group Priority Sort as well as participant feedback following the symposium. Results A total of 37 participants attended the symposium from a variety of settings and organizations. Using the Group Priority Sort technique, 30 topics were classified by priority to be included in a future resource. Participant feedback pertaining to the symposium and research methods was largely positive. Several areas of improvement, such as clarity of items, were identified from this case study. Conclusions The Group Priority Sort technique was an efficient method for obtaining valuable suggestions from a diverse group of stakeholders, including patients and family members. The specific priorities and feedback obtained from the symposium will be incorporated into a resource for healthcare ...
    Keywords Nursing informatics ; Patient engagement ; Health information technology ; Health informatics ; Participatory research ; Group priority sort ; Medicine ; R ; Medicine (General) ; R5-920
    Subject code 360
    Language English
    Publishing date 2020-05-01T00:00:00Z
    Publisher BMC
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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    Inter-library loan at ZB MED

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