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Qualitative and quantitative enhancement of parameter estimation for model-based diagnostics using automatic differentiation with an application to inertial fusion

Parameter estimation using observables is a fundamental concept in the experimental sciences. Mathematical models that represent the physical processes can enable reconstructions of the experimental observables and greatly assist in parameter estimation by turning it into an optimization problem which can be solved by gradient-free or gradient-based methods. In this work, the recent rise in flexible frameworks for developing differentiable scientific computing programs is leveraged in order to dramatically accelerate data analysis of a common experimental diagnostic relevant to laser–plasma and inertial fusion experiments, Thomson scattering. A differentiable Thomson-scattering data analysis tool is developed that uses reverse-mode automatic differentiation (AD) to calculate gradients. By switching from finite differencing to reverse-mode AD, three distinct outcomes are achieved. First, gradient descent is accelerated dramatically to the extent that it enables near real-time usage in laser–plasma experiments. Second, qualitatively novel quantities which require $\mathcal{O}(10^3)$ parameters can now be included in the analysis of data which enables unprecedented measurements of small-scale laser–plasma phenomena. Third, uncertainty estimation approaches that leverage the value of the Hessian become accurate and efficient because reverse-mode AD can be used for calculating the Hessian.

97 MATHEMATICS AND COMPUTING↗

Structural and functional analyses of SARS-CoV-2 Nsp3 and its specific interactions with the 5’ UTR of the viral genome

ABSTRACT Non-structural protein 3 (Nsp3) is the largest open reading frame encoded in the SARS-CoV-2 genome, essential for the formation of double-membrane vesicles (DMV) wherein viral RNA replication occurs. We conducted an extensive structure-function analysis of Nsp3 and determined the crystal structures of the ubiquitin-like 1 (Ubl1), nucleic acid binding (NAB), β-coronavirus-specific marker (βSM) domains, and a sub-region of the Y domain of this protein. We show that the Ubl1, ADP-ribose phosphatase (ADRP), human SARS Unique (HSUD), NAB, and Y domains of Nsp3 bind the 5’ UTR of the viral genome and that the Ubl1 and Y domains possess affinity for recognition of this region, suggesting high specificity. The Ubl1-Nucleocapsid (N) protein complex binds the 5’ UTR with greater affinity than the individual proteins alone. Our results suggest that multiple domains of Nsp3, particularly Ubl1 and Y, shepherd the 5’ UTR of the viral genome during translocation through the DMV membrane, priming the Ubl1 domain to load the genome onto N protein. IMPORTANCE The largest protein encoded by the SARS-CoV-2 genome is Nsp3. In infected cells, this multi-domain protein forms a pore structure in the virus-induced double-membrane vesicles (DMV). We have incomplete data on Nsp3 molecular structure, and here, we describe crystal structures for multiple domains of Nsp3. It is thought that newly replicated viral RNA transits through the DMV pore; however, we possess incomplete data on which regions of Nsp3 actually interact with RNA. Here, we present data showing that five domains of Nsp3 interact with the 5’ UTR of the SARS-CoV-2 RNA, including the Y domain for which no function has ever been discovered. These data suggest that the pore structure plays an active role in recognizing the terminal end of the genome, transiting and loading the viral RNA onto the cytoplasmic nucleocapsid protein. These data help expand our knowledge of Nsp3 structure and function and the SARS-CoV-2 replication cycle.

Microbiology↗

Vanadyl Phosphates A x VOPO 4 (A = Li, Na, K) as Multielectron Cathodes for Alkali-Ion Batteries

Vanadyl phosphates comprise a class of multielectron cathode materials capable of cycling two Li + , about 1.66 Na + , and some K + ions per redox center. In this review, structures, thermodynamic stabilities, and ion diffusion kinetics of various A x VOPO 4 (A = Li, Na, K, NH 4 ) polymorphs are discussed. Both the experimental data and first-principle calculations indicate kinetic limitations for alkali metal ions cycling, especially between for 0 ≤ x ≤ 1, and metastability of phases with x > 1. This creates challenges for multiple-ion cycling, as the slow kinetics call for nanosized particles, which being metastable and reactive with organic electrolytes are prone to side reactions. Thus, various synthesis approaches, surface coating, and transition metal ion substitution strategies are discussed here as possible ways to stabilize A x VOPO 4 structures and improve alkali metal ion diffusion. Finally, the role of advanced characterization techniques, such as X-ray absorption spectroscopy, diffraction, pair distribution function analysis and 7 Li and 31 P NMR, in understanding the reaction mechanism from both structural and electronic points of view is emphasized.

25 ENERGY STORAGE↗

Effects of threshold resummation for large-x PDF in large momentum effective theory

Parton distribution functions (PDFs) at large x are challenging to extract from experimental data, yet they are essential for understanding hadron structure and searching for new physics beyond the Standard Model. Within the framework of the large momentum P z expansion of lattice quasi-PDFs, we investigate large x PDFs, where the matching coefficient is factorized into the hard kernel, related to the active quark momentum xP z , and the threshold soft function, associated with the spectator momentum (1 − x)P z . The renormalization group equation of the soft function enables the resummation of the threshold double logarithms α k ln 2k (1 − x), which is crucial for a reliable and controllable calculation of large x PDFs. Our analysis with pion valence PDFs indicates that perturbative matching breaks down when the spectator momentum (1 − x)P z approaches Λ QCD , but remains valid when both xP z and (1 − x)P z are much larger than Λ QCD . Additionally, we incorporate leading renormalon resummation within the threshold framework, demonstrating good perturbative convergence in the region where both spectator and active quark momenta are perturbative scales.

factorization↗

Search for light long-lived neutral particles that decay to collimated pairs of leptons or light hadrons in $pp$ collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for light long-lived neutral particles with masses in the O(MeV–GeV) range is presented. The analysis targets the production of long-lived dark photons in the decay of a Higgs boson produced via gluon–gluon fusion or in association with a W boson. Events that contain displaced collimated Standard Model fermions reconstructed in the calorimeter or muon spectrometer are selected in 139 fb -1 of $\sqrt{s}$ = 13 TeV $pp$ collision data collected by the ATLAS detector at the LHC. Background estimates for contributions from Standard Model processes and instrumental effects are extracted from data. The observed event yields are consistent with the expected background. Exclusion limits are reported on the production cross-section times branching fraction as a function of the mean proper decay length cτ of the dark photon, or as a function of the dark-photon mass and kinetic mixing parameter that quantifies the coupling between the Standard Model and potential hidden (dark) sectors. A Higgs boson branching fraction above 1% is excluded at 95% CL for a Higgs boson decaying into two dark photons for dark-photon mean proper decay lengths between 10 mm and 250 mm and dark photons with masses between 0.4 GeV and 2 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Measurement of the top quark pair production cross section in PbPb collisions at $\sqrt{s_{\mathrm{NN}}}=5.36$ TeV

The inclusive cross section for top quark pair ($\mathrm{t}\overline{\mathrm{t}}$) production in lead-lead (PbPb) collisions is reported for the first time at a center-of-mass energy per nucleon pair of 5.36 TeV. The analysis uses data corresponding to an integrated luminosity of 1.58 nb −1 collected by the CMS experiment at the CERN LHC in 2023. The $\mathrm{t}\overline{\mathrm{t}}$ production cross section, ${\sigma}_{\mathrm{t}\overline{\mathrm{t}}}={3.42}_{-0.51}^{+0.54}{\left(\mathrm{stat}\right)}_{-0.43}^{+0.50}\left(\mathrm{syst}\right)$ μb, is measured in dilepton final states using a fit to a multivariate discriminator that combines the decay electron and muon kinematic properties with the multiplicity of bottom quark jets. The result is consistent with perturbative quantum chromodynamics calculations at next-to-next-to-leading order (NNLO) accuracy employing several nuclear parton distribution functions. In addition, the Drell–Yan production cross section (σ DY ) for dilepton masses above 10 GeV and the ratio of $\mathrm{t}\overline{\mathrm{t}}$ to DY cross sections $\left({R}_{\mathrm{t}\overline{\mathrm{t}}/\mathrm{DY}}\right)$ are found to be compatible with the NNLO predictions. The observables ${\sigma}_{\mathrm{t}\overline{\mathrm{t}}}$, σ DY , and ${R}_{\mathrm{t}\overline{\mathrm{t}}/\mathrm{DY}}$ are measured separately for central and semicentral PbPb collisions to investigate for the first time the dependence of top quark production on the collision impact parameter.

Heavy Ion Experiments↗

A data-driven method for modelling dissipation rates in stratified turbulence

We present a deep probabilistic convolutional neural network (PCNN) model for predicting local values of small-scale mixing properties in stratified turbulent flows, namely the dissipation rates of turbulent kinetic energy and density variance, $\varepsilon$ and $\chi$ . Inputs to the PCNN are vertical columns of velocity and density gradients, motivated by data typically available from microstructure profilers in the ocean. The architecture is designed to enable the model to capture several characteristic features of stratified turbulence, in particular the dependence of small-scale isotropy on the buoyancy Reynolds number $Re_b:=\varepsilon /(\nu N^2)$ , where $\nu$ is the kinematic viscosity and $N$ is the background buoyancy frequency, the correlation between suitably locally averaged density gradients and turbulence intensity and the importance of capturing the tails of the probability distribution functions of values of dissipation. Empirically modified versions of commonly used isotropic models for $\varepsilon$ and $\chi$ that depend only on vertical derivatives of density and velocity are proposed based on the asymptotic regimes $Re_b\ll 1$ and $Re_b\gg 1$ , and serve as an instructive benchmark for comparison with the data-driven approach. When trained and tested on a simulation of stratified decaying turbulence which accesses a range of turbulent regimes (associated with differing values of $Re_b$ ), the PCNN outperforms assumptions of isotropy significantly as $Re_b$ decreases, and additionally demonstrates improvements over the fitted empirical models. A differential sensitivity analysis of the PCNN facilitates a comparison with the theoretical models and provides a physical interpretation of the features enabling it to make improved predictions.

42 ENGINEERING↗

Probing the Chemical Kinetics of Minimalist Functional Group Gasoline Surrogates

We report surrogate mixtures are routinely used for understanding gasoline fuel combustion in engine simulations. The general trend in surrogate formulation has been to increase the number of fuel components in a mixture to better emulate real fuel properties. Recently, a new surrogate design strategy based on functional group analysis of real gasolines was proposed using a minimal number of species [minimalist functional group (MFG)-approach]. MFG surrogates (having just one or two components) could experimentally capture the ignition delay time (IDT), threshold sooting index, and smoke point of different gasoline fuels with hundreds of components. However, other combustion characteristics were not explored, and kinetic modeling of MFG surrogates was not reported. These aspects are addressed in this paper, where the combustion behavior of MFG surrogates for various gasolines was assessed by simulating IDT, jet-stirred reactor oxidation, and premixed laminar flame speeds using chemical kinetic modeling. MFG simulations were compared with experimental data of the real gasolines as well as with the more complex multicomponent (five to nine species) surrogates. This study reveals that binary MFG surrogate mixtures are capable of accurately simulating the combustion behavior of more complex gasoline fuels with hundreds of components.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hydride and Seek: Comparing Crystallographic Hydride Placement Techniques with an Open-Shell Cobalt Complex

Locating hydrides is crucial in organometallic chemistry but difficult to do accurately using X-ray diffraction. Electron diffraction has been proposed as a way to overcome this problem but has not been systematically compared to neutron diffraction and to quantum crystallography (Hirshfeld atom refinement, HAR) to test this hypothesis. Here, we present a comparative analysis of methods for a terminal cobalt hydride complex by comparing a single-crystal neutron diffraction reference structure to results from single-crystal X-ray diffraction with and without Hirshfeld atom refinement (HAR, NoSpherA2), density functional theory (DFT), and electron diffraction (3D-ED/MicroED) refined under kinematical and dynamical formalisms. Conventional X-ray diffraction gives lower precision than neutron diffraction as expected. Despite expected improvements, HAR gives systematic deviation from the neutron benchmark. Interestingly, optimized DFT equilibrium geometries are closer to the neutron value than the value from HAR. On the other hand, electron diffraction with a high-quality data set coupled with dynamical refinement localizes the hydride in difference maps and gives excellent agreement with the neutron data. Dynamical refinement is crucial, as kinematical refinement does not allow assignment of a hydride peak. This cross-modal comparison defines the conditions under which 3D-ED/MicroED delivers high-precision metal–hydride distances for this open-shell cobalt hydride.

anions↗

Forming a database to study reversed magnetic shear from the National Spherical Torus eXperiment using machine learning

Achieving a long-lived reversed magnetic shear (RMS) target plasma in the National Spherical Torus eXperiment Upgrade will require developing various sustainment scenarios. To help with the ongoing plasma control efforts, the development of a new analysis for the motional Stark effect (MSE) diagnostic using a machine learning algorithm, namely, MSE-ML, is described. MSE-ML will be used to identify patterns during RMS discharges, some of which suffer magnetohydrodynamic (MHD) events resulting in current redistribution and monotonic q-profiles. A database consisting of q and magnetic shear profiles is being constructed primarily based on the existing National Spherical Torus eXperiment data with equilibrium reconstructions constrained by the magnetic field pitch angle profile measured using the multi-channel MSE diagnostic. An unsupervised k-means clustering of the data is developed to study the RMS formation as a function of time. The initial clustering from the q-profiles shows significant differences in both amplitude and the duration of the RMS period. As a goal, the clustering results that detect and distinguish shots with substantial and sustained RMS are to be used as a preprocessing step in a supervised algorithm to identify the underlying conditions that lead to long-lasting improved confinement with RMS. Another aim of the MSE-ML study is to identify precursors of RMS-destroying MHD events in either derived data such as the q-profile or directly measured data such as the magnetic field pitch angle profile.

Uzun-Kaymak, I. U. (ORCID:0000000276251493)↗

Transfer learning for analysis of collective and non-collective Thomson scattering spectra

Thomson scattering (TS) diagnostics provide reliable, minimally perturbative measurements of fundamental plasma parameters, such as electron density (⁠n e ) and electron temperature (⁠T e ⁠). Deep neural networks can provide accurate estimates of ⁠n e and T e when conventional fitting algorithms may fail, such as when TS spectra are dominated by noise, or when fast analysis is required for real-time operation. Although deep neural networks typically require large training sets, transfer learning can improve model performance on a target task with limited data by leveraging pre-trained models from related source tasks, where select hidden layers are further trained using target data. We present five architecturally diverse deep neural networks, pre-trained on synthetic TS data and adapted for experimentally measured TS data, to evaluate the efficacy of transfer learning in estimating n e and T e in both the collective and non-collective scattering regimes. We evaluate errors in n e and T e estimates as a function of training set size for models trained with and without transfer learning, and we observe decreases in model error from transfer learning when the training set contains ≲ 200 experimentally measured spectra.

Artificial neural networks↗

Fusion of 12 C+ 24 Mg far below the barrier: Evidence for the hindrance effect

Background: The phenomenon of fusion hindrance may have important consequences on the nuclear processes occurring in astrophysical scenarios, if it is a general behavior of heavy-ion fusion at extreme subbarrier energies, including reactions involving lighter systems, e.g., reactions in the carbon and oxygen burning stages of heavy stars. The hindrance is generally identified by the observation of a maximum of the S-factor vs energy. Whether there is an S-factor maximum at very low energies for systems with a positive fusion Q value is an experimentally challenging question. Purpose: Our aim has been to search for evidence of fusion hindrance in 12 C+ 24 Mg which is a medium-light m system with positive Q value for fusion, besides the heavier cases where hindrance is recognized to be a general phenomenon. 12 C+ 24 Mg is very close to the 16 O + 16 O and 12 C + 12 C systems that are important for the late evolution of heavy stars. Methods: The experiment has been performed in inverse kinematics using the 24 Mg beam from the XTU Tandem accelerator of LNL in the energy range 26-52 MeV with an intensity of 4-8 pnA. The targets were 12 C evaporations 50 mu g/cm 2 thick, isotopically enriched to 99.9%. The fusion-evaporation residues were detected at small angles by a E-Delta E-ToF detector telescope following an electrostatic beam deflector. Results: Previous measurements of fusion cross section for 12 C+ 24 Mg were limited to above-barrier energies. In the present experiment the excitation function has been extended down to similar or equal to 15 mu b and it appears that the S factor develops a clear maximum vs energy, indicating the presence of hindrance. This is the first convincing evidence of an S factor maximum in a medium-light system with a positive fusion Q value. These results have been fitted following a recently suggested method and a detailed analysis within the coupled-channels model that has been performed using a Woods-Saxon potential and including the ground state rotational band of 24 Mg. The coupled-channels calculations give a good account of the data near and above the barrier but overpredict the cross sections at very low energies. Conclusions: The hindrance phenomenon is clearly observed in 12 C+ 24 Mg, and its energy threshold is in reasonable agreement with the systematics observed for several medium-light systems. The fusion cross sections at the hindrance threshold show that the highest value (sigma(s) = 1.6 mb) is indeed found for this system. Therefore it may even be possible to extend the measurements further down in energy to better establish the position of the S-factor maximum.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Fatty Acid and Alcohol Metabolism in Pseudomonas putida: Functional Analysis Using Random Barcode Transposon Sequencing.

With its ability to catabolize a wide variety of carbon sources and a growing engineering toolkit, Pseudomonas putida KT2440 is emerging as an important chassis organism for metabolic engineering. Despite advances in our understanding of the organism, many gaps remain in our knowledge of the genetic basis of its metabolic capabilities. The gaps are particularly noticeable in our understanding of both fatty acid and alcohol catabolism, where many paralogs putatively coding for similar enzymes coexist, making biochemical assignment via sequence homology difficult. To rapidly assign function to the enzymes responsible for these metabolisms, we leveraged random barcode transposon sequencing (RB-Tn-Seq). Global fitness analyses of transposon libraries grown on 13 fatty acids and 10 alcohols produced strong phenotypes for hundreds of genes. Fitness data from mutant pools grown on fatty acids of varying chain lengths indicated specific enzyme substrate preferences and enabled us to hypothesize that DUF1302/DUF1329 family proteins potentially function as esterases. From the data, we also postulate catabolic routes for the two biogasoline molecules isoprenol and isopentanol, which are catabolized via leucine metabolism after initial oxidation and activation with coenzyme A (CoA). Because fatty acids and alcohols may serve as both feedstocks and final products of metabolic-engineering efforts, the fitness data presented here will help guide future genomic modifications toward higher titers, rates, and yields. IMPORTANCE To engineer novel metabolic pathways into P. putida , a comprehensive understanding of the genetic basis of its versatile metabolism is essential. Here, we provide functional evidence for the putative roles of hundreds of genes involved in the fatty acid and alcohol metabolism of the bacterium. These data provide a framework facilitating precise genetic changes to prevent product degradation and to channel the flux of specific pathway intermediates as desired.

59 BASIC BIOLOGICAL SCIENCES↗

RNAseq analysis of Cellvibrio japonicus during starch utilization differentiates between genes encoding carbohydrate active enzymes controlled by substrate detection or growth rate

ABSTRACT Bacterial utilization of starch is increasingly of interest as the importance and contributions of animal gut microbiomes become more defined. Consequently, identifying and characterizing the bacterial enzymes responsible for the degradation, transport, and metabolism of starch will enable developments in pharmaceutical, biotechnological, and culinary industries searching for novel prebiotics, carrier molecules, and low glycemic index sweeteners. The current challenge is that bacteria proficient at starch utilization often have hundreds of carbohydrate active enzymes, and it is unclear which are essential for starch utilization using only homology-based bioinformatics or computational methods. Complementary experimental data are also needed, especially to understand the regulation of bacterial starch utilization. We have completed an RNAseq analysis of the Gram-negative bacterium Cellvibrio japonicus and found that it has sophisticated regulation that includes substrate sensing and growth rate components for genes that encode starch-degrading enzymes. Among the 22 genes predicted to encode starch-active enzymes, C. japonicus has 10 alpha-amylases, 4 alpha-glucosidases, 2 pullulnases, and 2 cyclomaltodextrin glucanotransferases, 15 of which were up-regulated during exponential growth on starch and 8 up-regulated in stationary phase. Growth analyses with an enzyme secretion deficient mutant of C. japonicus suggested that secreted amylases are essential for this bacterium to degrade starch. Our approach of coupling a physiological growth assay with transcriptomic data provides a platform to identify targets for further genetic or biochemical analysis that can be broadly applied to other starch-utilizing bacteria. IMPORTANCE Understanding the bacterial metabolism of starch is important as this polysaccharide is a ubiquitous ingredient in foods, supplements, and medicines, all of which influence gut microbiome composition and health. Our RNAseq and growth data set provides a valuable resource to those who want to better understand the regulation of starch utilization in Gram-negative bacteria. These data are also useful as they provide an example of how to approach studying a starch-utilizing bacterium that has many putative amylases by coupling transcriptomic data with growth assays to overcome the potential challenges of functional redundancy. The RNAseq data can also be used as a part of larger meta-analyses to compare how C. japonicus regulates carbohydrate active enzymes, or how this bacterium compares to gut microbiome constituents in terms of starch utilization potential.

59 BASIC BIOLOGICAL SCIENCES↗

Systematic comparison of local approaches for isotopically nonstationary metabolic flux analysis

Quantification of reaction fluxes of metabolic networks can help us understand how the integration of different metabolic pathways determine cellular functions. Yet, intracellular fluxes cannot be measured directly but are estimated with metabolic flux analysis (MFA) that relies on the patterns of isotope labeling of metabolites in the network. For metabolic systems, typical for plants, where all potentially labeled atoms effectively have only one source atom pool, only isotopically nonstationary MFA can provide information about intracellular fluxes. There are several global approaches that implement MFA for an entire metabolic network and estimate, at once, a steady-state flux distribution for all reactions with identifiable fluxes in the network. In contrast, local approaches deal with estimation of fluxes for a subset of reactions, with smaller data demand for flux estimation. Here we present a systematic comparative review and benchmarking of the existing local approaches for isotopically nonstationary MFA. The comparison is conducted with respect to the required data and underlying computational problems solved on a synthetic network example. Furthermore, we benchmark the performance of these approaches in estimating fluxes for a subset of reactions using data obtained from the simulation of nitrogen fluxes in the Arabidopsis thaliana core metabolism. The findings pinpoint practical aspects that need to be considered when applying local approaches for flux estimation in large-scale plant metabolic networks.

59 BASIC BIOLOGICAL SCIENCES↗

An Algorithm to Retrieve Total Precipitable Water Vapor in the Atmosphere from FengYun 3D Medium Resolution Spectral Imager 2 (FY-3D MERSI-2) Data

The atmosphere has substantial effects on optical remote sensing imagery of the Earth’s surface from space. These effects come through the functioning of atmospheric particles on the radiometric transfer from the Earth’s surface through the atmosphere to the sensor in space. Precipitable water vapor (PWV), CO 2 , ozone, and aerosol in the atmosphere are very important among the particles through their functioning. This study presented an algorithm to retrieve total PWV from the Chinese second-generation polar-orbiting meteorological satellite FengYun 3D Medium Resolution Spectral Imager 2 (FY-3D MERSI-2) data, which have three near-infrared (NIR) water vapor absorbing channels, i.e., channel 16, 17, and 18. The algorithm was improved from the radiance ratio technique initially developed for Moderate-Resolution Imaging Spectroradiometer (MODIS) data. MODTRAN 5 was used to simulate the process of radiant transfer from the ground surfaces to the sensor at various atmospheric conditions for estimation of the coefficients of ratio technique, which was achieved through statistical regression analysis between the simulated radiance and transmittance values for FY-3D MERSI-2 NIR channels. The algorithm was then constructed as a linear combination of the three-water vapor absorbing channels of FY-3D MERSI-2. Measurements from two ground-based reference datasets were used to validate the algorithm: the sun photometer measurements of Aerosol Robotic Network (AERONET) and the microwave radiometer measurements of Energy’s Atmospheric Radiation Measurement Program (ARMP). The validation results showed that the algorithm performs very well when compared with the ground-based reference datasets. The estimated PWV values come with root mean square error (RMSE) of 0.28 g/cm 2 for the ARMP and 0.26 g/cm 2 for the AERONET datasets, with bias of 0.072 g/cm 2 and 0.096 g/cm 2 for the two reference datasets, respectively. The accuracy of the proposed algorithm revealed a better consistency with ground-based reference datasets. Thus, the proposed algorithm could be used as an alternative to retrieve PWV from FY-3D MERSI-2 data for various remote sensing applications such as agricultural monitoring, climate change, hydrologic cycle, and so on at various regional and global scales.

54 ENVIRONMENTAL SCIENCES↗

Data from A Genetic Toolbox for Metabolic Engineering of Issatchenkia orientalis

The nonconventional yeast Issatchenkia orientalis can grow under highly acidic conditions and has been explored for production of various organic acids. However, its broader application is hampered by the lack of efficient genetic tools to enable sophisticated metabolic manipulations. We recently constructed an episomal plasmid based on the autonomously replicating sequence (ARS) from Saccharomyces cerevisiae (ScARS) in I. orientalis and developed a CRISPR/Cas9 system for multiplexed gene deletions. Here we report three additional genetic tools including: (1) identification of a 0.8 kb centromere-like (CEN-L) sequence from the I. orientalis genome by using bioinformatics and functional screening; (2) discovery and characterization of a set of constitutive promoters and terminators under different culture conditions by using RNA-Seq analysis and a fluorescent reporter; and (3) development of a rapid and efficient in vivo DNA assembly method in I. orientalis , which exhibited ~100% fidelity when assembling a 7 kb-plasmid from seven DNA fragments ranging from 0.7 kb to 1.7 kb. As proof of concept, we used these genetic tools to rapidly construct a functional xylose utilization pathway in I. orientalis .

Conversion↗

A Simulation-based Method for Correcting Mode Coupling in CMB Angular Power Spectra

Modern cosmic microwave background (CMB) analysis pipelines regularly employ complex time-domain filters, beam models, masking, and other techniques during the production of sky maps and their corresponding angular power spectra. However, these processes can generate couplings between multipoles from the same spectrum and from different spectra, in addition to the typical power attenuation. Within the context of pseudo-C ℓ based, MASTER-style analyses, the net effect of the time-domain filtering is commonly approximated by a multiplicative transfer function, F ℓ , that can fail to capture mode mixing and is dependent on the spectrum of the signal. To address these shortcomings, we have developed a simulation-based spectral correction approach that constructs a two-dimensional transfer matrix, ${J}_{{\ell }{\ell }^{\prime} }$, which contains information about mode mixing in addition to mode attenuation. We demonstrate the application of this approach on data from the first flight of the Spider balloon-borne CMB experiment.

79 ASTRONOMY AND ASTROPHYSICS↗