Physical Sciences and Mathematics Commons^™

Atomistic Simulations And Network-Based Modeling Of The Hsp90-Cdc37 Chaperone Binding With Cdk4 Client Protein: A Mechanism Of Chaperoning Kinase Clients By Exploiting Weak Spots Of Intrinsically Dynamic Kinase Domains, John Czemeres, Kurt Buse, Gennady M. Verkhivker

Mathematics, Physics, and Computer Science Faculty Articles and Research

A fundamental role of the Hsp90 and Cdc37 chaperones in mediating conformational development and activation of diverse protein kinase clients is essential in signal transduction. There has been increasing evidence that the Hsp90-Cdc37 system executes its chaperoning duties by recognizing conformational instability of kinase clients and modulating their folding landscapes. The recent cryo-electron microscopy structure of the Hsp90-Cdc37- Cdk4 kinase complex has provided a framework for dissecting regulatory principles underlying differentiation and recruitment of protein kinase clients to the chaperone machinery. In this work, we have combined atomistic simulations with protein stability and network-based rigidity decomposition analyses to characterize dynamic …

T-Time: A Data Repository Of T Cell And Calcium Release-Activated Calcium Channel Activation Imagery, Cody Arbuckle, Milton L. Greenberg, Adrienne Bergh, Rene German, Nick Sirago, Erik J. Linstead

Mathematics, Physics, and Computer Science Faculty Articles and Research

BACKGROUND: A fundamental understanding of live-cell dynamics is necessary in order to advance scientific techniques and personalized medicine. For this understanding to be possible, image processing techniques, probes, tracking algorithms and many other methodologies must be improved. Currently there are no large open-source datasets containing live-cell imaging to act as a standard for the community. As a result, researchers cannot evaluate their methodologies on an independent benchmark or leverage such a dataset to formulate scientific questions.

FINDINGS: Here we present T-Time, the largest free and publicly available data set of T cell phase contrast imagery designed with the …

Responses Of Agroecosystems To Climate Change: Specifics Of Resilience In The Mid-Latitude Region, Menas Kafatos, Seung Hee Kim, Chul-Hee Lim, Jinwon Kim, Woo-Kyun Lee

Mathematics, Physics, and Computer Science Faculty Articles and Research

This study examines the productivity and resilience of agroecosystems in the Korean Peninsula. Having learned valuable lessons from a Chapman University project funded by the United States Department of Agriculture which concentrated on the semi-arid region of southwestern United States, our joint Korea—Chapman University team has applied similar methodologies to the Korean Peninsula, which is itself an interesting study case in the mid-latitude region. In particular, the Korean Peninsula has unique agricultural environments due to differences in political and socioeconomic systems between South Korea and North Korea. Specifically, North Korea has been suffering from food shortages due to natural disasters, …

Synergistic Use Of Remote Sensing And Modeling To Assess An Anomalously High Chlorophyll-A Event During Summer 2015 In The South Central Red Sea, Wenzhao Li, Hesham El-Askary, K. P. Manikandan, Mohamed A. Qurban, Michael J. Garay, Olga V. Kalishnikova

Mathematics, Physics, and Computer Science Faculty Articles and Research

An anomalously high chlorophyll-a (Chl-a) event (>2 mg/m3) during June 2015 in the South Central Red Sea (17.5° to 22°N, 37° to 42°E) was observed using Moderate Resolution Imaging Spectroradiometer (MODIS) data from the Terra and Aqua satellite platforms. This differs from the low Chl-a values (<0.5 mg/m3) usually encountered over the same region during summertime. To assess this anomaly and possible causes, we used a wide range of oceanographical and meteorological datasets, including Chl-a concentrations, sea surface temperature (SST), sea surface height (SSH), mixed layer depth (MLD), ocean current velocity and aerosol optical depth (AOD) obtained from different sensors and models. Findings confirmed this anomalous behavior in the spatial domain using Hovmöller data analysis techniques, while a time series analysis addressed monthly and daily variability. Our analysis suggests that a combination of factors controlling nutrient supply contributed to the anomalous phytoplankton growth. These factors include horizontal transfer of upwelling water through eddy circulation and possible mineral fertilization from atmospheric dust deposition. Coral reefs might have provided extra nutrient supply, yet this is out of the scope of our analysis. We thought that dust deposition from a coastal dust jet event in late June, coinciding with the phytoplankton blooms in the area under investigation, might have also contributed as shown by our AOD findings. However, a lag cross correlation showed a two- month lag between strong dust outbreak and the high Chl-a anomaly. The high Chl-a concentration at the edge of the eddy emphasizes the importance of horizontal advection in fertilizing oligotrophic (nutrient poor) Red Sea waters.

Cellular And Molecular Targets Of Menthol Actions, Murat Oz, Eslam El Nebrisi, Keun-Hang Susan Yang, Frank Christopher Howarth, Lina T. Al Kury

Mathematics, Physics, and Computer Science Faculty Articles and Research

Menthol belongs to monoterpene class of a structurally diverse group of phytochemicals found in plant-derived essential oils. Menthol is widely used in pharmaceuticals, confectionary, oral hygiene products, pesticides, cosmetics, and as a flavoring agent. In addition, menthol is known to have antioxidant, anti-inflammatory, and analgesic effects. Recently, there has been renewed awareness in comprehending the biological and pharmacological effects of menthol. TRP channels have been demonstrated to mediate the cooling actions ofmenthol. There has been new evidence demonstrating thatmenthol can significantly influence the functional characteristics of a number of different kinds of ligand and voltage-gated ion channels, indicating that at …

Estimation Of The Virtual Water Content Of Main Crops On The Korean Peninsula Using Multiple Regional Climate Models And Evapotranspiration Methods, Chul-Hee Lim, Seung Hee Kim, Yuyoung Choi, Menas Kafatos, Woo-Kyun Lee

Mathematics, Physics, and Computer Science Faculty Articles and Research

Sustainable agriculture in the era of climate change needs to find solutions for the retention and proper utilization of water. This study proposes an ensemble approach for identifying the virtual water content (VWC) of main crops on the Korean Peninsula in past and future climates. Ensemble results with low uncertainty were obtained using three regional climate models, five potential evapotranspiration methods, and the Environmental Policy Integrated Climate (EPIC) crop model. The productivity results of major crops (rice and maize) under climate change are likely to increase more than in the past based on the ensemble results. The ensemble VWC is …

Computational Analysis Of Residue Interaction Networks And Coevolutionary Relationships In The Hsp70 Chaperones: A Community- Hopping Model Of Allosteric Regulation And Communication, Gabrielle Stetz, Gennady M. Verkhivker

Mathematics, Physics, and Computer Science Faculty Articles and Research

Allosteric interactions in the Hsp70 proteins are linked with their regulatory mechanisms and cellular functions. Despite significant progress in structural and functional characterization of the Hsp70 proteins fundamental questions concerning modularity of the allosteric interaction networks and hierarchy of signaling pathways in the Hsp70 chaperones remained largely unexplored and poorly understood. In this work, we proposed an integrated computational strategy that combined atomistic and coarse-grained simulations with coevolutionary analysis and network modeling of the residue interactions. A novel aspect of this work is the incorporation of dynamic residue correlations and coevolutionary residue dependencies in the construction of allosteric interaction networks …