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  Faculty Senate Minutes June 1, 2020

  University of Arizona Faculty Senate (Tucson, AZ), 2020-06-01
• Organic Photovoltaics: Relating Chemical Structure, Local Morphology, and Electronic Properties

  Wang, Tonghui; Kupgan, Grit; Brédas, Jean-Luc; Univ Arizona, Dept Chem & Biochem (Elsevier BV, 2020-06)

  Substantial enhancements in the efficiencies of bulk-heterojunction (BHJ) organic solar cells (OSCs) have come from largely trial-and-error-based optimizations of the morphology of the active layers. Further improvements, however, require a detailed understanding of the relationships among chemical structure, morphology, electronic properties, and device performance. On the experimental side, characterization of the local (i.e., nanoscale) morphology remains challenging, which has called for the development of robust computational methodologies that can reliably address those aspects. In this review, we describe how a methodology that combines all-atom molecular dynamics (AA-MD) simulations with density functional theory (DFT) calculations allows the establishment of chemical structure–local morphology–electronic properties relationships. We also provide a brief overview of coarse-graining methods in an effort to bridge local to global (i.e., mesoscale to microscale) morphology. Finally, we give a few examples of machine learning (ML) applications that can assist in the discovery of these relationships.
• Environmental stress and human life history strategy development in rural and peri-urban South India

  Richardson, George B.; Placek, Caitlyn; Srinivas, Vijaya; Jayakrishna, Poornima; Quinlan, Robert; Madhivanan, Purnima; Univ Arizona, Dept Hlth Promot Sci (ELSEVIER SCIENCE INC, 2020-05)

  Few studies have examined the role of early vs. later environment in the development of life history (LH) strategies, whether age at sexual debut mediates LH development, or whether LH indicators contribute to environmental stress in adulthood. In the current study, we addressed these gaps cross-culturally using data from Jenu Kurubas who live in the rural outskirts of Mysore (n = 133), India, and mixed-caste peri-urban residents in Mysore city (n = 222). Research took place from October 2016-July 2017. First, participants engaged in semi-structured interviews to formulate quantitative measures of current environmental stress (n = 60). Next, participants (n = 355) completed structured questionnaires that measured demographics; early and current environmental stress; and LH indicators including age at sexual debut, facets of impulsivity, education, and number of children. Structural equation modeling was used to test for the developmental cascade reported in Western studies of psychosocial acceleration (e.g., indirect effect of early environmental stress on number of children through age at sexual debut). Consistent with Western findings, environmental stress appeared to hasten sexual debut, decrease self-regulation and educational attainment, and increase current environmental stress in the peri-urban sample. Early environmental stress forecasted younger age at sexual debut in both samples; however, no other effects of early environmental stress nor any associations with current environmental stress were consistent between samples. Although age at sexual debut appeared to translate early environmental stress into greater numbers of children and current environmental stress in the peri-urban and rural samples, respectively, it was associated with different outcomes between the samples and forecasted adult environment only in the rural sample. Taken together, our findings indicate more research is needed to determine whether the developmental cascade suggested by most applications of LH theory to humans generalizes across cultures and rural and periurban environments.
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  The Quality of Recovery after Dexamethasone, Ondansetron, or Placebo Administration in Patients Undergoing Lower Limbs Orthopedic Surgery under Spinal Anesthesia Using Intrathecal Morphine. A Randomized Controlled Trial

  Moro, Eduardo Toshiyuki; Ferreira, Miguel Antônio Teixeira; Gonçalves, Renyer Dos Santos; Vargas, Roberta Costa; Calil, Samira Joverno; Soranz, Maria Alice; Bloomstone, Joshua; Univ Arizona, Coll Med (HINDAWI LTD, 2020-05-20)

  Intrathecal morphine is widely and successfully used to prevent postoperative pain after orthopedic surgery, but it is frequently associated with side effects. The aim of this study was to evaluate the effect of dexamethasone or ondansetron when compared to placebo to reduce the occurrence of these undesirable effects and, consequently, to improve the quality of recovery based on patient's perspective. Methods. One hundred and thirty-five patients undergoing lower extremity orthopedic surgery under spinal anesthesia using bupivacaine and morphine were randomly assigned to receive IV dexamethasone, ondansetron, or saline. On the morning following surgery, a quality of recovery questionnaire (QoR-40) was completed. Results. No differences were detected in the global and dimensional QoR-40 scores following surgery; however, following postanesthesia care unit (PACU) discharge, pain scores were higher in patients receiving ondansetron compared with patients who received dexamethasone. Conclusion. Neither ondansetron nor dexamethasone improves the quality of recovery after lower limbs orthopedic surgery under spinal anesthesia using intrathecal morphine.
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  The Disturbed Iron Phenotype of Tumor Cells and Macrophages in Renal Cell Carcinoma Influences Tumor Growth

  Schnetz, Matthias; Meier, Julia K; Rehwald, Claudia; Mertens, Christina; Urbschat, Anja; Tomat, Elisa; Akam, Eman A; Baer, Patrick; Roos, Frederik C; Brüne, Bernhard; et al. (MDPI, 2020-02-25)

  Accumulating evidence suggests that iron homeostasis is disturbed in tumors. We aimed at clarifying the distribution of iron in renal cell carcinoma (RCC). Considering the pivotal role of macrophages for iron homeostasis and their association with poor clinical outcome, we investigated the role of macrophage-secreted iron for tumor progression by applying a novel chelation approach. We applied flow cytometry and multiplex-immunohistochemistry to detect iron-dependent markers and analyzed iron distribution with atomic absorption spectrometry in patients diagnosed with RCC. We further analyzed the functional significance of iron by applying a novel extracellular chelator using RCC cell lines as well as patient-derived primary cells. The expression of iron-regulated genes was significantly elevated in tumors compared to adjacent healthy tissue. Iron retention was detected in tumor cells, whereas tumor-associated macrophages showed an iron-release phenotype accompanied by enhanced expression of ferroportin. We found increased iron amounts in extracellular fluids, which in turn stimulated tumor cell proliferation and migration. In vitro, macrophage-derived iron showed pro-tumor functions, whereas application of an extracellular chelator blocked these effects. Our study provides new insights in iron distribution and iron-handling in RCC. Chelators that specifically scavenge iron in the extracellular space confirmed the importance of macrophage-secreted iron in promoting tumor growth.

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