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Results for “design optimization”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors
Abstract not provided
High-Resolution Structure of ClpC1-Rufomycin and Ligand Binding Studies Provide a Framework to Design and Optimize Anti-Tuberculosis Leads
Addressing the urgent need to develop novel drugs against drug-resistant Mycobacterium tuberculosis (M. tb) strains, ecumicin (ECU) and rufomycin I (RUFI) are being explored as promising new leads targeting cellular proteostasis via the caseinolytic protein ClpC1. Details of the binding topology and chemical mode of (inter)action of these cyclopeptides help drive further development of novel potency-optimized entities as tuberculosis drugs. ClpC1 M. tb protein constructs with mutations driving resistance to ECU and RUFI show reduced binding affinity by surface plasmon resonance (SPR). Despite certain structural similarities, ECU and RUFI resistant mutation sites did not overlap in their SPR binding patterns. SPR competition experiments show ECU prevents RUFI binding, whereas RUFI partially inhibits ECU binding. The X-ray structure of the ClpC1-NTD-RUFI complex reveals distinct differences compared to the previously reported ClpC1-NTD-cyclomarin A structure. Surprisingly, the complex structure revealed that the epoxide moiety of RUFI opened and covalently bound to ClpC1-NTD via the sulfur atom of Met1. Furthermore, RUFI analogues indicate that the epoxy group of RUFI is critical for binding and bactericidal activity. Overall, the outcomes demonstrate the significance of ClpC1 as a novel target and the importance of SAR analysis of identified macrocyclic peptides for drug discovery.
Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure–Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies
Norovirus infection constitutes the primary cause of acute viral gastroenteritis. There are currently no vaccines or norovirus-specific antiviral therapeutics available for the management of norovirus infection. Norovirus 3C-like protease is essential for viral replication, consequently, inhibition of this enzyme is a fruitful avenue of investigation that may lead to the emergence of antinorovirus therapeutics. We describe herein the optimization of dipeptidyl inhibitors of norovirus 3C-like protease using iterative SAR, X-ray crystallographic, and enzyme and cell-based studies. We also demonstrate herein in vivo efficacy of an inhibitor using the murine model of norovirus infection.
Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors
Abstract not provided
Design and optimization of high temperature optocouplers as galvanic isolation
The commercial InGaN-based (blue and green) and AlGaInP-based (red) multiple quantum well (MQW) lighting emitting diodes (LEDs) were studied in a wide range of temperatures up to 800 K for their light emission and detection (i.e., LEDs operated under reverse bias as photodiodes (PDs)) characteristics. The results indicate the feasibility of integrating a pair of selected LEDs to fabricate high temperature (HT) optocouplers, which can be utilized as galvanic isolation to replace the bulky isolation transforms in the high-density power modules. A detailed study on LEDs and PDs were performed. The external quantum efficiency (EQE) of the LED and PDs were calculated. Higher relative external quantum efficiency (EQE) and lower efficiency droops with temperatures are obtained from the blue and green LEDs for display compared with the blue one for lighting and red LED for display. The blue for lighting and red for display devices show superior responsivity, specific detectivity (D*), and EQE compared with blue and green for display when operated as PDs. The results suggest that red LED devices for display can be used to optimize HT optocouplers due to the highest wavelength overlapping compared with others.
Designing and optimizing highly efficient grating for high-brightness laser based on spectral beam combining
A highly efficient nano-periodical grating is theoretically investigated for spectral beam combining (SBC) and is experimentally implemented for attaining high-brightness laser from a diode laser array. The rigorous coupled-wave analysis with the S matrix method is employed to optimize the parameters of the grating. According the optimized parameters, the grating is fabricated and plays a key role in SBC cavity. The diffraction efficiency of this grating is optimized to 95% for the output laser which is emitted from the diode laser array. The beam parameter product of 3.8 mm mrad of the diode laser array after SBC is achieved at the output power of 46.3 W. The optical-to-optical efficiency of SBC cavity is measured to be 93.5% at the maximum operating current in the experiment.
Systematic cavity design approach for a multi-frequency gyrotron for DEMO and study of its RF behavior
High frequency (>230 GHz) megawatt-class gyrotrons are planned as RF sources for electron cyclotron resonance heating and current drive in DEMOnstration fusion power plants (DEMOs). In this paper, for the first time, a feasibility study of a 236 GHz DEMO gyrotron is presented by considering all relevant design goals and the possible technical limitations. A mode-selection procedure is proposed in order to satisfy the multi-frequency and frequency-step tunability requirements. An effective systematic design approach for the optimal design of a gradually tapered cavity is presented. The RF-behavior of the proposed cavity is verified rigorously, supporting 920 kW of stable output power with an interaction efficiency of 36% including the considerations of realistic beam parameters.
System Design and Optimization of In-Route Wireless Charging Infrastructure for Shared Automated Electric Vehicles
Not Available
A Unified Grid-Forming and Grid-Following Primary Control Design With Optimized Enforcement of Grid Operational Constraints
Not Available
Deep Reinforcement Learning-Based Optimal Parameter Design of Power Converters
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Design and Optimization of a Metagenomics Analysis Workflow for NVRAM
Abstract not provided
Methods and Results for Quantum Optimal Pulse Control on Superconducting Qubit Systems
The effective use of current Noisy Intermediate-Scale Quantum (NISQ) devices is often limited by the noise which is caused by interaction with the environment and affects the fidelity of quantum gates. In transmon qubit systems, the quantum gate fidelity can be improved by applying control pulses that can minimize the effects of the environmental noise. In this work, we employ physics-guided quantum optimal control strategies to design optimal pulses driving quantum gates on superconducting qubit systems. We test our results by conducting experiments on the IBM quantum hardware using their OpenPulse API. We compare the performance of our pulse-optimized quantum gates against the default quantum gates and show that the optimized pulses improve the fidelity of the quantum gates, in particular the single-qubit gates. Here we discuss the challenges we encountered in our work and point to possible future improvements.
Hierarchical Design and Optimization of Silicon Photonics
Not Available
Fin Design Topology Optimization for Direct Liquid Cooling of Multi-Chip Power Modules
Not Available
Magnet System Design and Optimization for a Novel Plasmoid Magnetic Reconnection Thruster Prototype
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