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At least 1,189 records · Page 66

Performance and operational considerations in the design of vehicle antennas for mobile satellite communications

This paper examines the vehicle antenna requirements for mobile satellite systems. The antenna parameters are discussed in the light of the requirements and the limitations in performance imposed by the physical constraints of antenna and by vehicle geometries. Measurements of diffraction and antenna noise temperature in an operational environment are examined, as well as their effects on system margins. Mechanical versus electronic designs are compared with regards to performance, cost, reliability, and design complexity. Comparisons between open-loop and close-loop tracking systems are made and the effects of bandwidth, sidelobe levels, operational constraints, vehicle angular velocity, and acceleration are discussed. Some consideration is given to the use of hybrid systems employing both open and closed-loop tracking. Changes to antenna/terminal specifications are recommended which will provide greater design flexibility and increase the likelihood of meeting the performance and operational requirements.

Milne, R.↗

Open Science for Life in Space: Data Sharing and Tools for Knowledge Discovery

The next era in human space exploration is rapidly approaching and will require the use of countermeasures to deep space health hazards. The development of countermeasures (or, the re-purposing of existing agents) will be highly dependent on our understanding of basic biological responses to space stressors (e.g. ionizing radiation, altered gravitational fields, altered day-night cycles, confinement, isolation, hostile-closed environments, distance-duration from Earth, exposure to celestial regolith, etc.). The fast-growing array of space biological data, which in the past was simply archived after minimal analysis, holds great potential if it can be reorganized and formatted for Open Science. Organizing the data for such analysis is a challenge because of its diverse nature (molecular, cellular, tissue, imaging, whole organism and behavior). We will discuss here several strategies that NASA’s Biological and Physical Science Division has put in place to maximize the return on investment for spaceflight bioscience data. Open Science, as a scientific philosophy, is the concept that the more people who have access to the data, the more knowledge will be gained from it. This guiding principle led NASA to develop GeneLab in 2015. GeneLab houses spaceflight and relevant ground-based multi-omics data, and has grown to ~400 transcriptomic, proteomic, metabolomic and epigenomic datasets from plant, rodent, small animal, and microbial space experiments. GeneLab provides users with various tools for data analysis and a visualization portal that allows users to interact with gene expression data from space-related ‘omics experiments. Open Science is also about building scientific communities, and with this spirit in mind, GeneLab has spawned several Analysis Working Groups (AWGs), comprised of more than 200 volunteer scientists. The AWGs initially provided feedback on the processing pipeline and metadata ‘omics standards for GeneLab. Over the last few years, they have become a community-driven science enterprise, engaging in large meta-analysis of GeneLab datasets, resulting in 10 publications (beyond the originally submitted research). Overall, the Open Science nature of GeneLab has resulted in a high degree of data re-use, resulting in 38 additional publications derived from the original 67 publication over the past four years. The enormous success and knowledge gained from GeneLab has led to a collection of sister NASA “Open Science Data Repositories (OSDR)” and research support groups. These include the NASA Ames Life Sciences Data Archive (ALSDA), the NASA Biological Institutional Scientific Collection (NBISC), and the Biospecimen Sharing Program (BSP). All are adopting the GeneLab data architecture system to maximize open-access, find-ability, accessibility, interoperability, and reusability (FAIR). ALSDA collects and curates phenotypic-physiological bioimaging-behavioral data from space and space-relevant non-human experiments, oftentimes coming from the same omics-associated experimental datasets found in GeneLab. Since 2021, a community of ~100 researchers have rallied around ALSDA, to provide feedback in a new ALSDA AWG focused on phenotypic-physiological investigation-sample-assay metadata standards (e.g., Micro-Computed Tomography, Light/Fluorescence Microscopy, Western Blot, Flow Cytometry, Novel Object Recognition, Elevated Plus Maze, etc. of ~50 assays collected). These standards are part of a new single point-of-entry data submission portal for all non-human Space Biology and Human Research Program principal investigators, to submit, curate, and share their research data. With open-access space biological data now collected and curated together with rich metadata, and with the potential for linkage to “big data” from the international biological and medical communities (NIH, EBI, etc.), the artificial intelligence and machine learning (AI/ML) era has started for Space Biology. Several other talks will cover these topics in this conference.

life sciences↗

Open Science for Life in Space: Data Sharing and Tools for Knowledge Discovery

The next era in human space exploration is rapidly approaching and will require the use of countermeasures to deep space health hazards. The development of countermeasures (or, there-purposing of existing agents) will be highly dependent on our understanding of basic biological responses to space stressors (e.g. ionizing radiation, altered gravitational fields, altered day-night cycles, confinement, isolation, hostile-closed environments, distance-duration from Earth, exposure to celestial regolith, etc.). The fast-growing array of space biological data, which in the past was simply archived after minimal analysis, holds great potential if it can be reorganized and formatted for Open Science. Organizing the data for such analysis is a challenge because of its diverse nature (molecular, cellular, tissue, imaging, whole organism and behavior). We will discuss here several strategies that NASA's Biological and Physical Science Division has put in place to maximize the return on investment for spaceflight bioscience data. Open Science, as a scientific philosophy, is the concept that the more people who have access to the data, the more knowledge will be gained from it. This guiding principle led NASA to develop GeneLab in 2015. GeneLab houses spaceflight and relevant ground-based multi-omics data, and has grown to ~400 transcriptomatic, proteomic, metabolomic and epigenomic datasets from plant, rodent, small animal, and microbial space experiments. GeneLab provides users with various tools for data analysis and a visualization portal that allows users to interact with gene expression data from space-related 'omics experiments. Open Science is also about building scientific communities, and with this spirit in mind, GeneLab has spawned several Analysis Working Groups (AWGs), comprised of more than 200 volunteer scientists. The AWGs initially provided feedback on the processing pipeline and metadata 'omics standards for GeneLab. Over the last few years, they have become a community-driven science enterprise, engaging in large meta-analysis of GeneLab datasets, resulting in 10 publications (beyond the originally submitted research). Overall, the Open Science nature of GeneLab has resulted in a high degree of data-use, resulting in 40 enabled publications by open data. The enormous success and knowledge gained from GeneLab has led to a collection of sister NASA "Open Science Data Repositories (OSDR)" and research support groups. These include the NASA Ames Life Sciences Data Archive (ALSDA), the NASA Biological Institutional Scientific Collection (NBISC), and the Biospecimen Sharing Program (BSP). All are adopting the GeneLab data architecture system to maximize open-access, find-ability, accessibility, interoperability, and reusability (FAIR). ALSDA collects and curates phenotypic-physiological bioimaging-behavioral data from space and space-relevant non-human experiments, oftentimes coming from the same omics-associated experimental datasets found in GeneLab. Since 2021, a community of ~100 researchers have rallied around ALSDA, to provide feedback in a new ALSDA AWG focused on phenotypic-physiological investigation-sample-assay metadata standards (e.g., Micro-Computed Tomography, Light/Flourescence Microscopy, Western Blot, Flow Cytometry, Novel Object Recognition, Elevated Plus Maze, etc. of ~50 assays collected). These standards are part of a new single point-of-entry data submission portal for all non-human Space Biology and Human Research Program principal investigators, to submit, curate, and share their research data. With open-access space biological data now collected and curated together with rich metadata, and with the potential for linkage to "big data" from the international biological and medical communities (NIH, EBI, etc.), the artificial intelligence and machine learning (AI/ML) era has started for Space Biology.

omics↗

Optimal Co-Design of Integrated Thermal-Electrical Networks and Control Systems for Grid-interactive Efficient District (GED) Energy Systems

This project advances a unified, open-source framework for the optimal co-design of thermal, electrical, and control systems in grid-interactive efficient districts (GEDs). As communities integrate growing levels of distributed energy resources, traditional approaches that model thermal and electrical networks independently lead to reduced efficiency, limited flexibility, and missed opportunities for coordinated operation. To address these challenges, the research team developed a comprehensive suite of physics-based models, control algorithms, and software tools that enable holistic simulation, optimization, and demonstration of district-scale energy systems.

14 SOLAR ENERGY↗

Development of a DC Distribution Testbed for High-Power EV Charging

This paper explores the design and implementation of a power hardware-in-the-loop (P-HIL) setup for DC distribution infrastructure integrated with high-power charging (HPC) of electric vehicles (EVs), DC loads, and sources. The utilization of DC distribution holds significant potential for enhancing the operation of a HPC station architecture. However, there are challenges establishing a DC charging hub including interoperability, commoditization, distributed energy resource integration, stability, DC protection, and lack of common system level controllers. To address these challenges, a testing setup is required that accommodates commercial off-the-shelf (COTS) products to evaluate different use cases at rated power and voltage levels. The developed P-HIL setup features a dedicated DC charging hub, DC-coupled chargers, DC loads/sources, DC protection, and a communication architecture. The integrated P-HIL system provides a versatile testing environment to address technology and interoperability gaps and implements a smart energy management system (SEMS). This platform enables comprehensive and robust testing of COTS devices, charger prototypes, SEMS controllers and protection schemes, which together will accelerate transition to EVs at scale. The setup is tested for various use-cases at full-scale, integrating 950 V DC bus voltage, 660 kW grid-tied inverter, 150 kW COTS charger, and 100 kW energy storage system within an open-source SEMS platform.

ADVANCED PROPULSION SYSTEMS,POWER TRANSMISSION AND↗

Unified, Geometric Framework for Nonequilibrium Protocol Optimization

Controlling thermodynamic cycles to minimize the dissipated heat is a long-standing goal in thermodynamics, and more recently, a central challenge in stochastic thermodynamics for nanoscale systems. Here, we introduce a theoretical and computational framework for optimizing nonequilibrium control protocols that can transform a system between two distributions in a minimally dissipative fashion. These protocols optimally transport a system along paths through the space of probability distributions that minimize the dissipative cost of a transformation. Furthermore, we show that the thermodynamic metric—determined via a linear response approach—can be directly derived from the same objective function that is optimized in the optimal transport problem, thus providing a unified perspective on thermodynamic geometries. As a result, we investigate this unified geometric framework in two model systems and observe that our procedure for optimizing control protocols is robust beyond linear response.

36 MATERIALS SCIENCE↗

From Modular ADMS to Plug-and-Play Ops: Distribution Grid Operations with Platform-Level Orchestration to Enable Ambitious App Hosting

The core function of the distribution grid is to provide electricity to consumers affordably, reliably, and securely. In pursuing these core objectives, distribution utilities are accountable to customers, regulators, and in some cases, shareholders. Other third parties such as aggregators and microgrids can also have a stake in the smooth operation of the grid. Each of these stakeholders has economic, business, and/or governance objectives that inform their expectations of the distribution grid. This multi-objective, multi-stakeholder environment creates tension that must be reconciled to successfully design and operate the distribution grid. Innovative companies are competing to bring high-tech solutions to electric utilities and their customers that address each of these objectives. Many developers of advanced distribution management systems (ADMS) and distributed energy resource management systems (DERMS) have adopted a modular architecture that allows grid operators to select functions and features according to their individual system needs. A modular platform also allows the solution provider to develop and integrate specific new product modules; however, the need to pursue multiple objectives with a fixed set of controllable devices makes integration expensive whether it is done at the product development stage or the deployment stage. This cost creates a significant barrier to adoption and can lengthen the product to market time of new solutions. To fundamentally address the complexity of system integration for distribution grid operations, the U.S. Department of Energy Office of Electricity has funded the GridAPPS-D project at PNNL, which streamlines integration by contributing to standards development, defining system architecture, applying advanced mathematics, and developing open-source software to demonstrate the concept of an open data-integration platform for distribution operations. The open data-integration platform concept enables system operators and solution providers to deploy ambitious, best-of-breed applications (or apps) without continually reengineering for integration. Ambitious apps developed by different solution providers will inevitably attempt to achieve different control objectives with the same set of controllable devices. If the open platform itself can resolve these conflicts in a way that achieves the best available outcomes for all apps, doesn’t restrict the ambitious design of apps, and ensures safe and secure operations, apps will be able to plug-and-play with the platform at the same time as other ambitious apps. In this paper, we describe a framework called App Deconfliction that empowers a platform to assign setpoints to controllable devices based on the values preferred by different apps (and even external stakeholder entities like customers or aggregators). The App Deconfliction framework is compatible with several methods for determining setpoint values. We present two methods based on game theory that provide a subtle built-in incentive structure for developers to adapt their apps to the fact that they will be operating in a moderated multi-app environment and to favor device setpoints that have the most effect on their objectives over those that have the least effect. Our simulation-based demonstrations have shown that game-theory-based deconfliction can lead to a 7% improvement in control space utilization compared to design-based methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗

An open-source data storage and visualization platform for collaborative qubit control

Developing collaborative research platforms for quantum bit control is crucial for driving innovation in the field, as they enable the exchange of ideas, data, and implementation to achieve more impactful outcomes. Furthermore, considering the high costs associated with quantum experimental setups, collaborative environments are vital for maximizing resource utilization efficiently. However, the lack of dedicated data management platforms presents a significant obstacle to progress, highlighting the necessity for essential assistive tools tailored for this purpose. Current qubit control systems are unable to handle complicated management of extensive calibration data and do not support effectively visualizing intricate quantum experiment outcomes. In this paper, we introduce Qubit Control Storage and Visualization ( QubiCSV ), a platform specifically designed to meet the demands of quantum computing research, focusing on the storage and analysis of calibration and characterization data in qubit control systems. As an open-source tool, QubiCSV facilitates efficient data management of quantum computing, providing data versioning capabilities for data storage and allowing researchers and programmers to interact with qubits in real time. The insightful visualization are developed to interpret complex quantum experiments and optimize qubit performance. QubiCSV not only streamlines the handling of qubit control system data but also improves the user experience with intuitive visualization features, making it a valuable asset for researchers in the quantum computing domain.

97 MATHEMATICS AND COMPUTING↗

Downward quantum learning from element 118: Automated generation of Fermi–Löwdin orbitals for all atoms

A new algorithm based on a rigorous theorem and quantum data computationally mined from element 118 guarantees automated construction of initial Fermi–Löwdin-Orbital (FLO) starting points for all elements in the Periodic Table. It defines a means for constructing a small library of scalable FLOs for universal use in molecular and solid-state calculations. The method can be systematically improved for greater efficiency and for applications to excited states such as x-ray excitations and optically silent excitations. FLOs were introduced to recast the Perdew–Zunger self-interaction correction (PZSIC) into an explicit unitarily invariant form. The FLOs are generated from a set of N quasi-classical electron positions, referred to as Fermi-Orbital descriptors (FODs), and a set of N-orthonormal single-electron orbitals. FOD positions, when optimized, minimize the PZSIC total energy. However, creating sets of starting FODs that lead to a positive definite Fermi orbital overlap matrix has proven to be challenging for systems composed of open-shell atoms and ions. The proof herein guarantees the existence of a FLOSIC solution and further guarantees that if a solution for N electrons is found, it can be used to generate a minimum of N – 1 and a maximum of 2 N – 2 initial starting points for systems composed of a smaller number of electrons. As a result, applications to heavy and super-heavy atoms are presented. All starting solutions reported here were obtained from a solution for element 118, Oganesson.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Method for Tracking and Communicating Aggregate Risk Through the Use of Model-Based Systems Engineering (MBSE) Tools

Large, complex projects can identify a significant number and variety of risks, throughout the project life cycle. These risks are analyzed, mitigated, closed or accepted as independent uncertainties. Once closed or accepted, it is easy for projects to lose awareness of their impact. In reality, each of these risks contributes some amount to the overall risk posture of the project. The ability to track and effectively communicate this aggregate risk has represented a challenge to project management. There have been previous attempts to create a schema to communicate the aggregate effect of risks, without notable success. Most of these attempts have centered on some additive metric derived from the scoring of likelihood and consequence values. This, in and of itself, is a logical approach, but all too often the scores were then aggregated to a level where all context was lost. One weakness has been a lack of attempt to create linkages or logical groups of the risks upon which useful aggregation could then occur. The overall move to model-based (systems) engineering (MBSE) has opened up a vast frontier of opportunities to better integrate all project data. MBSE provides an underlying layer that links data items to each other. Objectives link to requirements, which then link to functions, functions to physical architecture items, and so on, as far down as projects want to model. While it started with a focus on modeling requirements based on things like use cases, efforts are now underway to integrate safety and mission assurance (S&MA) information and analyses, such as risks. This effort, called Model Based Mission Assurance (MBMA), is yielding models that are more useful and are a more accurate representations of the systems. MBSE models, with this ability to link related items, provide a new means of tracking and communicating aggregate risks. In the proposed method, risks are added into the models as distinct items, having attributes that communicate a scoring derived from the likelihood and consequence values as charted on the standard NASA 5x5 risk matrix. Like earlier efforts, each box in the 5x5 has an associated scoring, which may include both a current score and potential post-mitigation/control score. The risk items are then linked to elements of the model, such as system objectives/goals, requirements, functions, or physical architecture items, with "Risk to" relationships. These risks will then be communicated by use of reports generated from the model, detailing all risks and/or hazards linked to model elements. These reports can include aggregate impacts, including a current scoring and potential future state scoring based on the planned mitigations and/or controls. These reports will show all risks, open, accepted, and closed, linked to project objectives or requirements. When run as part of an upcoming risk acceptance discussion, these reports will serve to remind the team of all previous risks that relate to the effected portion of the system. When included as part of periodic program or project reviews, risk reviews, and safety reviews, this method can improve the overall understanding of the system's true risk posture. This proposed method takes full advantage of the advances that modern modeling techniques provide, with a minimal investment of additional time. Utilizing the model environment also enables a near constant access to current state of aggregate risks.

model based mission assurance↗

Verification Challenges of Dynamic Testing of Space Flight Hardware

The Six Degree-of-Freedom Dynamic Test System (SDTS) is a test facility at the National Aeronautics and Space Administration (NASA) Johnson Space Center in Houston, Texas for performing dynamic verification of space structures and hardware. Some examples of past and current tests include the verification of on-orbit robotic inspection systems, space vehicle assembly procedures and docking/berthing systems. The facility is able to integrate a dynamic simulation of on-orbit spacecraft mating or demating using flight-like mechanical interface hardware. A force moment sensor is utilized for input to the simulation during the contact phase, thus simulating the contact dynamics. While the verification of flight hardware presents many unique challenges, one particular area of interest is with respect to the use of external measurement systems to ensure accurate feedback of dynamic contact. There are many commercial off-the-shelf (COTS) measurement systems available on the market, and the test facility measurement systems have evolved over time to include two separate COTS systems. The first system incorporates infra-red sensing cameras, while the second system employs a laser interferometer to determine position and orientation data. The specific technical challenges with the measurement systems in a large dynamic environment include changing thermal and humidity levels, operational area and measurement volume, dynamic tracking, and data synchronization. The facility is located in an expansive high-bay area that is occasionally exposed to outside temperature when large retractable doors at each end of the building are opened. The laser interferometer system, in particular, is vulnerable to the environmental changes in the building. The operational area of the test facility itself is sizeable, ranging from seven meters wide and five meters deep to as much as seven meters high. Both facility measurement systems have desirable measurement volumes and the accuracies vary within the respective volumes. In addition, because this is a dynamic facility with a moving test bed, direct line-of-sight may not be available at all times between the measurement sensors and the tracking targets. Finally, the feedback data from the active test bed along with the two external measurement systems must be synchronized to allow for data correlation. To ensure the desired accuracy and resolution of these systems, calibration of the systems must be performed regularly. New innovations in sensor technology itself are periodically incorporated into the facility s overall measurement scheme. In addressing the challenges of the measurement systems, the facility is able to provide essential position and orientation data to verify the dynamic performance of space flight hardware.

Winnitoy, Susan↗

CSPlib - A Software Toolkit for the Analysis of Dynamical Systems and Chemical Kinetic Models

CSPlib is an open source software library for analyzing general ordinary differential equation (ODE) systems and detailed chemical kinetic ODE systems. It relies on the computational singular perturbation (CSP) method for the analysis of these systems. The software provides support for: General ODE models (gODE model class) for computing source terms and Jacobians for a generic ODE system; TChem model (ChemElemODETChem model class) for computing source term, Jacobian, other necessary chemical reaction data, as well as the rates of progress for a homogenous batch reactor using an elementary step detailed chemical kinetic reaction mechanism. This class relies on the TChem [2] library; A set of functions to compute essential elements of CSP analysis (Kernel class). This includes computations of the eigensolution of the Jacobian matrix, CSP basis vectors and co-vectors, time scales (reciprocals of the magnitudes of the Jacobian eigenvalues), mode amplitudes, CSP pointers, and the number of exhausted modes. This class relies on the Tines library; A set of functions to compute the eigensolution of the Jacobian matrix using Tines library GPU eigensolver; A set of functions to compute CSP indices (Index Class). This includes participation indices and both slow and fast importance indices.

97 MATHEMATICS AND COMPUTING↗

Multireference Methods are Realistic and Useful Tools for Modeling Catalysis

Abstract Highly correlated systems, in particular those that include transition metals, are ubiquitous in catalysis. The significant static correlation found in such systems is often poorly accounted for using Kohn Sham density functional theory methods, as they are single determinantal in nature. Applications to catalysis of more rigorous and appropriate multiconfigurational methods have been reported in select instances, but their use remains rare. We discuss obstacles that hinder the routine application of multireference (MR) wave function theoretical calculations to catalytic systems and the current state of the art with respect to removing those obstacles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Open-cycle thermochemical energy storage for building space heating: Practical system configurations and effective energy density

Salt-hydrate thermochemical materials (TCM) are promising candidates for energy storage systems for building space heating due to their high theoretical energy density and the need for low regeneration temperature. However, water vapor is required to drive the hydration process of the TCM reactor, which poses a challenge during winter when water vapor is typically scarce. Using indoor air directly lowers the building's humidity to an unconformable level in practice, while the cold outdoor air contains limited moisture. Here we consider different integration strategies for open-cycle TCM reactors in buildings and develop a model to simulate their thermal performance across diverse buildings and climates, specifically for building space heating. The potential energy densities and the levelized cost of storage of the TCM reactor are evaluated in practical scenarios to demonstrate the load-shifting potential of TCM systems for heating applications. We use a strontium chloride (SrCl 2 )-based composite as the baseline and explore the impact of various reactor and material changes to the energy density and levelized cost of storage.

25 ENERGY STORAGE↗

Numerical analysis of Microgravity Bubble Separation in Open Channels with ISS Bemchmarks

Spacecraft fluid systems often require specific considerations to operate in a manner similar to those on Earth. For instance, an open wedge shaped channel can serve as a pathway for passively separating bubbles from a liquid in a two phase flow, analogous to buoyancy effects on Earth. As the bubbles merge within the channel, they become increasingly confined in the wedge, driving them upwards and outwards toward the free surface due to capillary forces. These same forces ensure coalescence and allow the bubbles to escape through the free surface. However, in low gravity environments, a challenge arises when bubbles are not sufficiently large. Under such conditions, the bubbles tend to follow trajectories near their inscribed elevations, never fully leaving the liquid. Such unseparated bubbles can lead to downstream pump failure, cavitation, flow instabilities, dryout, and other adverse effects aboard spacecraft. Understanding and exploiting the underlying mechanisms behind this behavior is crucial for enhancing the reliability of passive capillary fluids management in space applications, including cryogenic and storable fuels transport, thermal fluids circulation, water recycling for life support, plant watering systems, and more. The joint German Aerospace Center (DLR) and NASA Capillary Channel Flow (CCF) experiment conducted on the International Space Station has provided an extensive publicly available database documenting such phenomena (https://science.nasa.gov/physical sciences informatics psi). Leveraging this resource, we aim to establish benchmarks for our numerical investigation of zero gravity bubbly two phase flow in open wedge channels. Specifically, we seek to quantitatively understand the mechanisms governing ‘inscribed’ bubble motion, considering the apparent interplay of two competing forces: Saffman lift (causing upward/outward motion) and the Magnus effect (causing downward/inward motion). Our cross cutting findings directly inform the development of robust passive phase separation methods within spacecraft plumbing systems.

bubble↗

High-Throughput Characterization and Optimization of Polyamide Hydrolase Activity Using Open Port Sampling Interface Mass Spectrometry

Enzymatic biodegradation of polymers, such as polyamides (PA), has the potential to cost-effectively reduce plastic waste, but enhancements in degradation efficiency are needed. Engineering enzymes through directed evolution is one pathway toward identification of critical domains needed for improving activity. However, screening such enzymatic libraries (100s-to-1000s of samples) is time-consuming. Here we demonstrate the use of robotic autosampler (PAL) and immediate drop on demand technology (I.DOT) liquid handling systems coupled with open-port sampling interface-mass spectrometry (OPSI-MS) to screen for PA6 and PA66 hydrolysis by 6-aminohexanoate-oligomer endo-hydrolase (nylon hydrolase, NylC) in a high-throughput (8–20 s/sample) manner. The OPSI-MS technique required minimal sample preparation and was amenable to 96-well plate formats for automated processing. Enzymatic hydrolysis of PA characteristically produced soluble linear oligomer products that could be identified by OPSI-MS. Incubation temperatures and times were optimized for PA6 (65 °C, 24 h) and PA66 (75 °C, 24 h) over 108 experiments. In addition, the I.DOT/OPSI-MS quantified production of PA6 linear dimer (8.3 ± 1.6 μg/mL) and PA66 linear monomer (13.5 ± 1.5 μg/mL) by NylC with a lower limit of detection of 0.029 and 0.032 μg/mL, respectively. For PA6 and PA66, linear oligomer production corresponded to 0.096 ± 0.018% and 0.204 ± 0.028% conversion of dry pellet mass, respectively. The developed methodology is expected to be utilized to assess enzymatic hydrolysis of engineered enzyme libraries, comprising hundreds to thousands of individual samples.

47 OTHER INSTRUMENTATION↗