Search NASA⌕ Search

SEARCH · Search NASA

Results for “Source tracking”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,747 records · Page 97

Neutron source reconstruction using a generalized expectation–maximization algorithm on one-dimensional neutron images from the Z facility

Magnetized Liner Inertial Fusion experiments have been performed at the Z facility at Sandia National Laboratories. These experiments use deuterium fuel, which produces 2.45 MeV neutrons on reaching thermonuclear conditions. To study the spatial structure of neutron production, the one-dimensional imager of neutrons diagnostic was fielded to record axial resolved neutron images. In this diagnostic, neutrons passing through a rolled edge aperture form an image on a CR-39-based solid state nuclear track detector. In this report we present a modified generalized expectation–maximization algorithm to reconstruct an axial neutron emission profile of the stagnated fusion plasma. We validate the approach by comparing the reconstructed neutron emission profile to an x-ray emission profile provided by a time-integrated pinhole camera.

47 OTHER INSTRUMENTATION↗

Power Operations of the Mars Exploration Rovers

The rovers of the National Aeronautics and Space Administration’s (NASA) Mars Exploration Rovers (MER) project, Spirit (MER-A) and Opportunity (MER-B), safely landed on the surface of Mars three weeks apart during January 2004. Spirit and Opportunity were built and operated by the Jet Propulsion Laboratory (JPL), which is managed by the California Institute of Technology (Caltech) for NASA. Spirit landed at Gusev Crater, 14.8 degrees south of the equator, and operated continuously on the surface of Mars from January 4, 2004 until last contact from Spirit on March 22, 2010. Opportunity landed at Meridiani Planum, a location 2.5 degrees south of the Martian equator. Opportunity operated continuously on the Martian surface from January 25, 2004 until the last received transmission from Opportunity on June 10, 2018. The goal of the MER project was to determine if Mars ever had a habitable environment, in particular, if it ever had water. During their missions, both Spirit and Opportunity found evidence that liquid water once flowed on the surface of Mars. Both Spirit and Opportunity used a 1.33 m2 triple-junction solar array as their power sources. Based on observations of the original Mars rover, the Sojourner rover of the Mars Pathfinder mission that landed on Mars on July 4, 1997, the expectation was that the Martian dust would rapidly accumulate on the solar arrays of Spirit and Opportunity, and that the rovers would not have enough energy to continue operations after 90 Martian days (sols). Instead, due in part to lower dust accumulation rates than expected and numerous dust cleaning events, the Spirit and Opportunity rovers continued to operate on the Martian surface for over 2000 sols (MER-A) and 5000 sols (MER-B), respectively. During this time, the rovers experienced multiple Martian winters and several dust storms. Because the sources of solar array energy loss were known, the solar array energy output offered a method to scientifically estimate the loading and aeolian removal of dust from the solar arrays each sol. The MER Power operations team called this value that they calculated the solar array Dust Factor (DF). Dust Factor was defined as the fraction of sunlight that penetrates the accumulated dust on the surface of the solar array. A Dust Factor of 1.0 would indicate that the solar array was perfectly clean. A Dust Factor of 0.6 would indicate that only 60% of the available sunlight was able to penetrate the accumulated dust on the solar arrays. The MER Power subsystem operations team used the Multi-Mission Power Analysis Tool (MMPAT) to perform these Dust Factor calculations. The MMPAT software tool modeled the behavior of the solar arrays and the batteries as they interacted with the spacecraft power loads over the mission timeline. MMPAT also had knowledge (through telemetry and user inputs) of telemetered Power subsystem voltages and currents, atmospheric opacity (Tau), rover surface location, rover attitude, the planetary tilt and distance of Mars from the sun based on day of year, the instantaneous elevation of the sun based on time of day, temperatures (internal and external), terrain masking, and shadowing (due to the camera mast and antennas). Once all of the known sources of array energy loss are accounted, the remaining difference between the expected array energy and the actual array energy determines the solar array Dust Factor. The assumptions made while determining the Dust Factor are 1) that the single measured atmospheric opacity value (Tau) is constant over the course of the entire sol, 2) there is no measurable solar cell degradation, 3) there are no shorted strings and therefore, 4) all unexpected solar array energy losses are due to accumulated dust on the solar array. Although it cannot provide an absolute measure of dust loading, the determination of solar array Dust Factor provides a useful way of tracking dust accumulation and aeolian dust removal trends on Martian spacecraft. Any spacecraft on the Martian surface is vulnerable to dust, especially solar-powered spacecraft. The Spirit and Opportunity rovers were operational on the Martian surface for much longer than expected due in part to aeolian removal of dust from their solar arrays. The first few dust removal events were a pleasant surprise to the MER operations teams; however, over time a pattern began to arise. In over three Mars Years on the surface, the Power operations team tracked the solar array Dust Factor at Gusev Crater (location of MER-A) and observed that there were several significant dust removal and deposition events in Mars Year (MY) 27, even in the absence of a large dust storm. In MY 28 at Gusev Crater, the large atmospheric opacity (Tau) increase lagged significant dust removal events. Overall at Gusev Crater, there was a pattern of steady dust accumulation on the solar arrays, with a small number of significant dust cleaning events. At Meridiani Planum, where Opportunity rover operated for over seven Mars Years (late MY 26 to mid MY 34), a clear and consistent pattern of dust movement emerged. Meridiani Planum had a predictable, seasonally dependent pattern of gradual and continuous dust accumulation and removal. In summary, this paper explains the reasons for the development of the solar array Dust Factor and how it was used in mission operations. In particular, this paper describes the MMPAT software package, how it models array energy, including the important assumptions, model inputs and sources of error. And finally, this paper will show how the calculated solar array Dust Factor was used at Gusev Crater and Meridiani Planum to predict dust accumulation rates and weather patterns, and the importance of this generated data set for current and future solar- powered missions to Mars, such as the InSight lander and the planned Mars Sample Return rover.

Chin, Keith B.↗

Performance assessment after long-term irradiation of ATLAS Micromegas detectors using 120 GeV muons at the Gamma Irradiation Facility at CERN

The ATLAS muon spectrometer will face an increased particle rate as a result of the increased instantaneous luminosity expected during the High-Luminosity LHC (HL-LHC) upgrade. The HL-LHC will provide a luminosity of $\mathscr{L}$ = 7.5 × 10 34 cm −2 s −1 and 3000 fb −1 of integrated luminosity in 10 years, about 9 times more data of the ones so far collected by the ATLAS experiment. Micromegas chambers are used in the New Small Wheel(s), the first forward muon spectrometer station, to provide tracking and triggering at the intense particle rates expected. The detectors are operated with a ternary gas mixture composed of Ar + 5%CO 2 + 2%iC 4 H 10 , providing good high voltage stability and a large pulse height, important for inclined track reconstruction of particles crossing the detector. To ensure the long-term stable operation of the detector during the whole HL-LHC period, and due to the hydrocarbon content in the mixture, an extensive aging campaign has been ongoing since 2021 at the CERN Gamma Irradiation Facility, where spare production chambers are long-term exposed to a 14 TBq 137 Cs 𝛾-source, accumulating so far, a charge equivalent to five years of HL-LHC operations under the highest expected background rate. This paper describes the results of the Micromegas chamber performance studies after two years of gamma irradiation and using the SPS/H4 120 GeV muon beams at CERN.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The Illumination of Thunderclouds by Lightning: 1. The Extent and Altitude of Optical Lightning Sources

Abstract Optical space‐based lightning sensors including NOAA's Geostationary Lightning Mapper (GLM) detect lightning though its transient illumination of the surrounding clouds. What space‐based optical lightning sensors measure is influenced by the physical attributes of the light source, the location of the source within the cloud scene, and the spatial variations in cloud composition. We focus on the lightning channels that serve as optical sources for GLM groups and flashes in this first part of our thundercloud illumination study. We match Lightning Mapping Array (LMA) sources with GLM groups and flashes during two thunderstorms to examine channel segments that are active during optical emission. We find that in each storm, the LMA sources matched with GLM groups are small (median: 3 km) compared to GLM pixels (nominal: 8 km), and preferentially come from high altitudes in the cloud (>8–10 km). The detection advantage for high‐altitude sources permits GLM to resolve faint optical pulses near the cloud top that might be missed from lower altitudes. However, the most energetic groups can be detected from all altitudes, and the largest groups largely originate at low altitudes. The relationship between group energy and illuminated area depends on flash development within the cloud medium, and flash development into different cloud regions can be identified by tracking GLM metrics of cloud illumination over time.

58 GEOSCIENCES↗

An instrument for in situ time-resolved X-ray imaging and diffraction of laser powder bed fusion additive manufacturing processes

In situ X-ray-based measurements of the laser powder bed fusion (LPBF) additive manufacturing process produce unique data for model validation and improved process understanding. Synchrotron X-ray imaging and diffraction provide high resolution, bulk sensitive information with sufficient sampling rates to probe melt pool dynamics as well as phase and microstructure evolution. Here, we describe a laboratory-scale LPBF test bed designed to accommodate diffraction and imaging experiments at a synchrotron X-ray source during LPBF operation. We also present experimental results using Ti-6Al-4V, a widely used aerospace alloy, as a model system. Both imaging and diffraction experiments were carried out at the Stanford Synchrotron Radiation Lightsource. Melt pool dynamics were imaged at frame rates up to 4 kHz with a ~1.1 μm effective pixel size and revealed the formation of keyhole pores along the melt track due to vapor recoil forces. Diffraction experiments at sampling rates of 1 kHz captured phase evolution and lattice contraction during the rapid cooling present in LPBF within a ~50 × 100 μm area. In conclusion, we also discuss the utility of these measurements for model validation and process improvement.

36 MATERIALS SCIENCE↗

Properties of M31. IV. Candidate luminous blue variables from PAndromeda

We perform a study on the optical and infrared photometric properties of known luminous blue variables (LBVs) in M31 using a sample of LBV candidates from the Local Group Galaxy Survey by Masset et al. We find that M31 LBV candidates show photometric variability ranging from 0.375 to 1.576 mag in r {sub P1} during a 3 yr time span observed by the Pan-STARRS 1 Andromeda survey (PAndromeda). Their near-infrared colors also follow the distribution of Galactic LBVs as shown by Oksala et al. We use these features as selection criteria to search for unknown LBV candidates in M31. We thus devise a method to search for candidate LBVs using both optical color from the Local Group Galaxy Survey and infrared color from the Two Micron All Sky Survey, as well as photometric variations observed by PAndromeda. We find four sources exhibiting common properties of known LBVs. These sources also exhibit UV emission as seen from Galaxy Evolution Explorer, which is one of the previously adopted methods of searching for LBV candidates. The locations of the LBVs are well aligned with M31 spiral arms as seen in UV light, suggesting that they are evolved stars at a young age given their high-mass nature. We compare these candidates with the latest Geneva evolutionary tracks, which show that our new M31 LBV candidates are massive, evolved stars with ages of 10-100 Myr.

79 ASTRONOMY AND ASTROPHYSICS↗

Modelling dust transport in DIII-D with DTOKS-Upgrade

Comprehensive upgrades to the dust transport code Dust in TOKamaks (DTOKS) that extend the plasma-dust interaction model are presented and compared with recent measurements of dust transport in DIII-D. Simulations incorporating variation in physical properties of graphite dust with temperature and size in a stationary plasma background suggest a substantial decrease in lifetimes due principally to thermal expansion. The trajectories of 53 dust grains identified from analysis of visible camera data taken across two similar shots were used to measure the dust particle velocity distributions. Dust tracks terminated mostly at the outer divertor strike point having a mean observation time of 2.1 ± 0.4 ms. Stochastic modelling of 200 graphite dust particles in the DIII-D tokamak performed with DTOKS-U using plasma simulations generated by OEDGE found similar behaviour, with particles ablating rapidly after acquiring a positive charge in the region close to the outer strike point, creating an acute source of neutral carbon atoms. The simulated mean lifetime, 11 ± 2 ms, showed approximate agreement with experimental observation when corrected by accounting for dust visibility and ignoring the longest trajectories 1.5 ± 0.2 ms. Synthetic diagnostic data generated from coupling the results of DTOKS-U with the visualisation software Calcam offers a powerful new tool for validation of simulations and predictive calculations of dust dynamics.

Physics↗

Time projection chamber for GADGET II

The established Gaseous Detector with Germanium Tagging (GADGET) detection system is used to measure weak, low-energy 𝛽-delayed proton decays. It consists of the Gaseous Proton Detector equipped with a MICROMEGAS (MM) readout to detect protons and other charged particles calorimetrically, surrounded by the Segmented Germanium Array (SeGA) for high-resolution detection of prompt 𝛾 rays. To upgrade GADGET's Proton Detector to operate as a compact time projection chamber (TPC) for the detection, three-dimensional imaging and identification of low-energy 𝛽-delayed single- and multiparticle emissions mainly of interest to astrophysical studies. A new high granularity MM board with 1024 pads has been designed, fabricated, installed, and tested. A high-density data acquisition system based on generic electronics for TPCs (GET) has been installed and optimized to record and process the gas avalanche signals collected on the readout pads. The TPC's performance has been tested using a 220 Rn 𝛼-particle source and cosmic-ray muons. In addition, decay events in the TPC have been simulated by adapting the attpcroot data analysis framework. Furthermore, a novel application of two-dimensional convolutional neural networks for GADGET II event classification is introduced. The optimization of data throughput is also addressed. The GADGET II TPC is capable of detecting and identifying 𝛼 particles as well as measuring their track direction, range, and energy. The extracted energy resolution of the GADGET II TPC using P10 gas is about 5.4% at 6.288 MeV ( 220 Rn 𝛼 events), computed using charge integration. Based on a systematic simulation study, we estimated the detection efficiency of the GADGET II TPC for protons and 𝛼 particles, respectively. It has also been demonstrated that the GADGET II TPC is capable of tracking minimum-ionizing particles (i.e., cosmic-ray muons). From these measurements, the electron drift velocity was measured under typical operating conditions. In addition to being one of the first generation of micropattern gaseous detectors (MPGDs) to utilize a resistive anode applied to low-energy nuclear physics, the GADGET II TPC will also be the first TPC surrounded by a high-efficiency array of high-purity germanium 𝛾-ray detectors. As a result, the TPC of GADGET II has been designed, fabricated, and tested and is ready for operation at the Facility for Rare Isotope Beams for radioactive-beam-line experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Nonuniform Absorption and Scattered Light in Direct-Drive Implosions Driven by Polarization Smoothing

Laser-direct-drive symmetric implosions on OMEGA illuminate a target with 60 laser beams and are designed to produce spherical implosions. Each beam is smoothed using orthogonal polarizations obtained by passing through distributed polarization rotators (DPR’s). Observations of the scattered light from OMEGA implosions do not show the expected symmetry and have much larger variation than standard predictions. For the first time, we have quantified the scattered-light nonuniformity from individual beams and identified the DPR’s as the source of the enhanced nonuniformity. An instrument was invented that isolated and measured the variation in the intensity and polarization of the light scattered from each OMEGA beam. The asymmetric intensity and polarization measurements are explained when the on-target offsets between the two orthogonal polarizations produced by the DPR’s are modeled using a 3-D cross-beam energy transfer (CBET) code that tracks the polarizations of each beam. The time-integrated nonuniformity in laser absorption and scattered light due to CBET and the DPR polarization offsets during high-performance OMEGA implosions is predicted to be significant and dominated by low spherical harmonic mode numbers. Further, the nonuniformity is predicted to be greatly reduced by replacing the DPR’s with new optics that create smaller offsets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Following the cosmic evolution of pristine gas. I. Implications for Milky Way halo stars

We make use of a new subgrid model of turbulent mixing to accurately follow the cosmological evolution of the first stars, the mixing of their supernova (SN) ejecta, and the impact on the chemical composition of the Galactic Halo. Using the cosmological adaptive mesh refinement code ramses, we implement a model for the pollution of pristine gas as described in Pan et al. Tracking the metallicity of Pop III stars with metallicities below a critical value allows us to account for the fraction of Z<Z{sub crit} stars formed even in regions in which the gas’s average metallicity is well above Z{sub crit}. We demonstrate that such partially mixed regions account for 0.5 to 0.7 of all Pop III stars formed up to z = 5. Additionally, we track the creation and transport of “primordial metals” (PM) generated by Pop III SNe. These neutron-capture deficient metals are taken up by second-generation stars and likely lead to unique abundance signatures characteristic of carbon-enhanced, metal-poor (CEMP-no) stars. As an illustrative example, we associate primordial metals with abundance ratios used by Keller et al. to explain the source of metals in the star SMSS J031300.36-670839.3, finding good agreement with the observed [Fe/H], [C/H], [O/H], and [Mg/Ca] ratios in CEMP-no Milky Way halo stars. Similar future simulations will aid in further constraining the properties of Pop III stars using CEMP observations, as well as improve predictions of the spatial distribution of Pop III stars, as will be explored by the next generation of ground- and space-based telescopes.

79 ASTRONOMY AND ASTROPHYSICS↗

ASTP Onboard Voice Transcription

The transcription is presented of the Apollo-Soyuz Test Project voice communications as recorded on the command module data storage equipment. Data from this recorder are telemetered (dumped) to Space Tracking and Data Network sites for retransmission to the Johnson Space Center. The transcript is divided into three columns -- time, speaker, and text. The Greenwich mean time column consists of three two-digit numbers representing hours, minutes, and seconds (e.g., 22 34 14) for the Julian dates shown at the top of the page on which a new day begins. The speaker column indicates the source of a transmission; the text column contains the verbatim transcript of the communications.

Source record↗

Status of recent aircraft braking and cornering research

The sources of degraded performance which sometimes occurs under adverse runway conditions, are investigated to obtain data necessary to the development of more advanced systems, in an effort to insure safe ground handling operations under all-weather conditions. Tire-to-ground friction characteristics are determined under braking conditions which closely resemble those of airplanes under heavy braking. Braking data from single-wheel landing loads track tests are related with those available from full-scale flight tests.

Stubbs, S. M.↗

The human factors of workstation telepresence

The term workstation telepresence has been introduced to describe human-telerobot compliance, which enables the human operator to effectively project his/her body image and behavioral skills to control of the telerobot itself. Major human-factors considerations for establishing high fidelity workstation telepresence during human-telerobot operation are discussed. Telerobot workstation telepresence is defined by the proficiency and skill with which the operator is able to control sensory feedback from direct interaction with the workstation itself, and from workstation-mediated interaction with the telerobot. Numerous conditions influencing such control have been identified. This raises the question as to what specific factors most critically influence the realization of high fidelity workstation telepresence. The thesis advanced here is that perturbations in sensory feedback represent a major source of variability in human performance during interactive telerobot operation. Perturbed sensory feedback research over the past three decades has established that spatial transformations or temporal delays in sensory feedback engender substantial decrements in interactive task performance, which training does not completely overcome. A recently developed social cybernetic model of human-computer interaction can be used to guide this approach, based on computer-mediated tracking and control of sensory feedback. How the social cybernetic model can be employed for evaluating the various modes, patterns, and integrations of interpersonal, team, and human-computer interactions which play a central role is workstation telepresence are discussed.

Smith, Thomas J.↗

Hires and beyond

The High-Resolution image construction program (HiRes) used at IPAC is based on the Maximum Correlation Method. After HiRes intensity images are constructed from IRAS data, additional images are needed to aid in scientific interpretation. Some of the images that are available for this purpose show the fitting noise, estimates of the achieved resolution, and detector track maps. Two methods have been developed for creating color maps without discarding any more spatial information than absolutely necessary: the 'cross-band simulation' and 'prior-knowledge' methods. These maps are demonstrated using the survey observations of a 2 x 2 degree field centered on M31. Prior knowledge may also be used to achieve super-resolution and to suppress ringing around bright point sources observed against background emission. Tools to suppress noise spikes and for accelerating convergence are also described.

Fowler, John W.↗

Use of MODIS Satellite Images and an Atmospheric Dust Transport Model to Evaluate Juniperus spp. Pollen Phenology and Transport

Pollen can be transported great distances. Van de Water et al., 2003 reported Juniperus spp. pollen, a significant aeroallergen was transported 200-600 km. Hence local observations of plant phenology may not be consistent with the timing and source of pollen collected by pollen sampling instruments. Direct detection of pollen via satellite is not practical. A practical alternative combines modeling and phenological observations using ground based sampling and satellite data. The DREAM (Dust REgional Atmospheric Model) is a verified model for atmospheric dust transport modeling using MODIS data products to identify source regions and quantities of dust (Nickovic et al. 2001). The use of satellite data products for studying phenology is well documented (White and Nemani 2006). In the current project MODIS data will provide critical input to the PREAM model providing pollen source location, timing of pollen release, and vegetation type. We are modifying the DREAM model (PREAM - Pollen REgional Atmospheric Model) to incorporate pollen transport. The linkages already exist with DREAM through PHAiRS (Public Health Applications in Remote Sensing) to the public health community. This linkage has the potential to fill this data gap so that the potential association of health effects of pollen can better be tracked for possible linkage with health outcome data which may be associated with asthma, respiratory effects, myocardial infarction, and lost workdays. Juniperus spp. pollen phenology may respond to a wide range of environmental factors such as day length, growing degree-days, precipitation patterns and soil moisture. Species differences are also important. These environmental factors vary over both time and spatial scales. Ground based networks such as the USA National Phenology Network have been established to provide national wide observations of vegetation phenology. However, the density of observers is not adequate to sufficiently document the phenology variability over large regions. Hence the use of satellite data is critical to observe Juniperus spp. pollen phenology. MODIS data was used to observe Juniperus spp. pollen phenology. The MODIS surface reflectance product(MOD09) provided information on the Juniper spp. cone formation and cone density (Fig 1). Ground based observational records of pollen release timing and quantities were used as verification. Techniques developed using MOD09 surface reflectance products will be directly applicable to the next generation sensors such as VIIRS.

Luvall, J. C.↗

In vitro cell irradiation systems based on 210Po alpha source: construction and characterisation

One way of studying the risk to human health of low-level radiation exposure is to make biological experiments on living cell cultures. Two 210Po alpha-particle emitting devices, with 0.5 and 100 MBq activity, were designed and constructed to perform such experiments irradiating monolayers of cells. Estimates of dose rate at the cell surface were obtained from measurements by a PIPS alpha-particle spectrometer and from calculations by the SRIM 2000, Monte Carlo charged particle transport code. Particle fluence area distributions were measured by solid state nuclear track detectors. The design and dosimetric characterisation of the devices are discussed. c2002 Elsevier Science Ltd. All rights reserved.

Alpha Particles↗

Crucial roles of eastward propagating environments in the summer MCS initiation over the U.S. Great Plains

Mesoscale convective systems (MCSs) frequently occur over the U.S. Great Plains during summer. An analysis using self-organizing map is conducted to identify four types of summer MCS initiation environments during 2004-2017. The first two types feature favorable large-scale environments at both upper and low levels, while Type-3 has favorable lower-level and surface conditions but unfavorable upper-level circulation, and Type-4 features the most unfavorable large-scale environments for MCS initiation. Despite the unfavorable large-scale environment, the convection-centered environments in Type-4 are favorable for MCS initiation and similar to the first two types, suggesting a role of sub-synoptic disturbances as an MCS precursor. All four types of the MCS initiation delineate a clear eastward propagating feature in many fields, such as upper-level potential vorticity/geopotential height, surface pressure and surface equivalent potential temperature, upstream up to 25°-longitude west of and ~36 hours before the MCS initiation. The propagating environments and local, non-propagating low-level moisture are found to be important in MCS initiation at the foothill of the Rocky Mountains, but over the central Great Plains, it is the coupling of dynamical and moisture anomalies associated with propagating waves that results in the MCS initiation. By tracking MCSs and mid-tropospheric perturbations (MPs), a type of sub-synoptic disturbances with Rocky Mountains origin, ~30% of MPs is associated with MCS initiation, mostly in Type-4. Although MPs are related to a small fraction of MCS initiation, MCSs that are associated with MPs tend to produce more rainfall in a larger area with a stronger convective intensity, suggesting MPs to be a source of intense MCSs in summer.

Song, Fengfei↗

Pathway design using de novo steps through uncharted biochemical spaces

Existing retrosynthesis tools generally traverse production routes from a source to a sink metabolite using known enzymes or de novo steps. Generally, important considerations such as blending known transformations with putative steps, complexity of pathway topology, mass conservation, cofactor balance, thermodynamic feasibility, microbial chassis selection, and cost are largely dealt with in a posteriori fashion. The computational procedure we present here designs bioconversion routes while simultaneously considering any combination of the aforementioned design criteria. First, we track and codify as rules all reaction centers using a prime factorization-based encoding technique (rePrime). Reaction rules and known biotransformations are then simultaneously used by the pathway design algorithm (novoStoic) to trace both metabolites and molecular moieties through balanced bio-conversion strategies. We show the use of novoStoic in bypassing steps in existing pathways through putative transformations, assembling complex pathways blending both known and putative steps toward pharmaceuticals, and postulating ways to biodegrade xenobiotics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗