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Item type:Item, Access status: Open Access , Near-Infrared Emission in Organic Cocrystals Based on Twisted-Component Pseudoencapsulation(American Chemical Society, 2025-05-15) Li, Tao; Liu, Bai-Tong; Liu, Jia-Chuan; Sule, Niharika Ashutosh; Ou, Jennifer T.; Huang, Jim Y.; Ou, Chenxin; Jia, Jian-Hua; Feng, YuanningNear-infrared (NIR) fluorescence, prized for deep optical penetration and high spatial resolution, can be achieved in organic cocrystals via donor–acceptor (D–A) charge-transfer (CT) emissions. We have rationally synthesized a series of cocrystals consisting of a twisted tetrachloroperylene dianhydride (TCPDA) as the electron-deficient acceptor, incorporating respectively with three different polycyclic aromatic hydrocarbons─i.e., triphenylene (TP), coronene (Cor), and perylene (Per)─as electron-rich donors. The introduction of a twisted component provides a pseudoencapsulation strategy to achieve fine-tuned control over stoichiometries, solid-state superstructures, and D–A interactions. Fluorescence emission spectra of these three cocrystals cover a wide range of wavelengths up to 861 nm. TP–TCPDA cocrystals with a two-photon absorption band reach into the NIR-II region because of the manipulation of the twisted configuration and noncovalent interactions. The pseudoencapsulation strategy of applying twisted components in cocrystals holds considerable promise for the future design and synthesis of advanced optical materials.Item type:Item, Access status: Open Access , Navigating Narratives: “Othered” Educators and the Pathway to Licensure(AATE, 2025-12-11) Mueller, Amy L.As an education scholar engaged in critical work, I often examine the myriad people and systems within our schools. Rarely do I have the opportunity to question my own narratives as profoundly as I did this past summer. Summer of 2024, I had planned to wrap up some projects and embark on an extended writing retreat. My plans took an unexpected turn when my university received a grant to help license alternatively certified educators in the state. The Foundational Acceleration and Support for Teachers (FAST) program began as a partnership between the university and districts to facilitate the transition from emergency to fully certified educator through training, mentoring, and coursework (Velasco et al., 2024). As a professor of a required technology course in the traditional teacher education program, I was asked to lead a similar course tailored to emergency-certified educators. As someone passionate about teaching, schools, and students, I eagerly accepted the challenge.Item type:Item, Access status: Open Access , Mutations in the proximal binding site and F-loop of AdeJ confer resistance to efflux pump inhibitors.(American Society for Microbiology, 2025-07-08) Saral Sariyer, Aysegul; Leus, Inga V.; Tambat, Rushikesh; Farjana, Mithila; Olvera, Marcela; Rukmani, Shalini J.; Sariyer, Emrah; Smith, Jeremy C.; Parks, Jerry M.; Walker, John K.; Zgurskaya, Helen I.Multidrug efflux is one of the major mechanisms of antibiotic resistance in gram-negative bacteria. Inhibitors of efflux pumps potentiate the activities of antibiotics, and their discovery could lead to new therapeutic options. The AdeIJK pump in Acinetobacter baumannii is a promising target for efflux pump inhibitors (EPIs) due to its high clinical importance and conservation, and several classes of EPIs targeting this and other A. baumannii efflux transporters have been recently reported. However, the mechanisms of action of these EPIs and their resistance liability remain underexplored. Here, we analyzed the impact of site-specific substitutions in the substrate/EPI translocation path of the inner membrane transporter AdeJ on efflux of substrate antibiotics and fluorescent probes and activities of substituted 4,6-diaminoquinoline EPIs. We found that substitutions in amino acid residues located in the entrance cleft (R701) and the flexible loop (E675) of AdeJ lead to resistance specifically against biphenyl-substituted EPIs, whereas the substitution of F178 in the distal binding pocket increased AdeJ sensitivity to certain naphthyl- and biphenyl-substituted EPIs. No major differences in docking scores and poses of substrates and EPIs were observed between the wild type and corresponding AdeJ variants for any of the mutations considered. This study concludes that substrates and EPIs bound along the translocation path of AdeJ participate in its conformational transitions and can either increase or decrease the rate of transport and therefore the efficiency of EPIs.Item type:Item, Access status: Open Access , Modulation of Abeta(1-42) Aggregation by a SARS-COV-2 Protein Fragment(American Chemical Society, 2025-10-01) Premathilaka, Malinda B.; Hansmann, Ulrich H. E.A number of studies have pointed out to the possibility that SARS-COV-2 infections could trigger amyloid diseases such as Parkinson’s disease or type-II diabetes. In the present study we probe this question for Alzheimer’s disease which is connected with presence of amyloids rich in Ab- peptides. For this purpose, we study by way of molecular dynamics simulations the interaction between the fragment FKNIDGYFKI of the Spike protein with Ab1-42 monomer and two fibril models, one patient-derived and one synthetic. Our results are compared with previous studies of other amyloid-forming proteins to identify commonalities and differences in the modulation of amyloid-formation by the viral protein fragment.Item type:Item, Access status: Open Access , Modeling and integration of Photovoltaic Thermal (PVT) hybrid solar collectors in A Fifth-generation district heating and Colling (5GDHC) network(International Building Performance Simulation Association, 2025-08-27) Li, Guowen; Zhang, Yuhang; Liu, Mingzhe; O'Neill, Zheng; Song, Li; Wang, Gang; Cai, Jie; Wu, XingruDistrict heating and cooling (DHC) networks with electric heat pumps are one of key enabling technologies in the decarbonization of the building energy sector, particularly when integrating renewable energy sources such as solar energy. Photovoltaic Thermal (PVT) hybrid solar collectors combine PV modules with heat-recovery configurations, providing simultaneous electrical and thermal outputs from the same array. This dual functionality makes PVT systems highly suitable for DHC networks, as they can efficiently meet both electrical and thermal needs. Fifth-generation DHC networks offer enhanced energy efficiency, characterized by its close-to ground level operating temperature and its capability to provide simultaneous heating and cooling through decentralized heat pumps. Additionally, their lower operational temperatures facilitate the integration of low-grade thermal energy sources and reduce thermal losses through underground pipes. Therefore, the integration of PVT collectors in a fifth-generation DHC network paves a promising way to enhance the overall energy efficiency and sustainability of the district energy system.This paper explores the modeling and integration of PVT solar collectors into a fifth-generation bidirectional heating and cooling network. PVT is modeled in Modelica and based on experimental data. The proposed DHC network incorporates PVT hybrid solar collectors and water-to-water heat pumps, designed to meet the energy requirements of a diverse building community (including a hospital, commercial buildings, and residential units) in Denver, Colorado, USA. EnergyPlus is utilized to generate annual building thermal loads using the U.S. Department of Energy (DOE) prototype building models. Modelica serves as the modeling language for the fifth-generation DHC network integrating with PVT. Compared with a baseline model using PVT hybrid control strategy (i.e., simultaneously generating heating and electricity), this study developed a rule-based control strategy of switching among three PVT operating modes (i.e., heating-only, electricity-only, or hybrid generation modes) to enhance the overall energy efficiency of the PVT-DHC system. The full paper will evaluate the impact of different PVT sizes and PVT control strategies on the system energy performance, followed by a detailed analysis of annual energy usage and utility costs. The results will highlight the substantial benefits of combining DHC with PVT technology for sustainable and efficient district energy systems.