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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Delocalization error poisons the density-functional many-body expansion

The many-body expansion is a fragment-based approach to large-scale quantum chemistry that partitions a single monolithic calculation into manageable subsystems. This technique is increasingly being used as a basis for fitting classical force fields to electronic structure data, especially for water and aqueous ions, and for machine learning. Here, we show that the many-body expansion based on semilocal density functional theory affords wild oscillations and runaway error accumulation for ion–water interactions, typified by F − (H 2 O) N with N ≳ 15. We attribute these oscillations to self-interaction error in the density-functional approximation. The effect is minor or negligible in small water clusters, explaining why it has not been noticed previously, but grows to catastrophic proportion in clusters that are only moderately larger. This behavior can be counteracted with hybrid functionals but only if the fraction of exact exchange is ≳50%, whereas modern meta-generalized gradient approximations including ωB97X-V, SCAN, and SCAN0 are insufficient to eliminate divergent behavior. Other mitigation strategies including counterpoise correction, density correction (i.e., exchange–correlation functionals evaluated atop Hartree–Fock densities), and dielectric continuum boundary conditions do little to curtail the problematic oscillations. In contrast, energy-based screening to cull unimportant subsystems can successfully forestall divergent behavior. These results suggest that extreme caution is warranted when the many-body expansion is combined with density functional theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

The many-body expansion for aqueous systems revisited: 1. Water-water interactions

We revisit the Many-Body Expansion (MBE) for water-water interactions by examining the effects of the basis set, including those resulting from the Basis Set Superposition Error (BSSE) correction, on the various terms for selected sizes of water clusters up to n = 21. The analysis is performed at the second order Møller-Plesset (MP2) perturbation theory with the family of augmented correlation consistent basis sets up to five zeta quality for the (H2O)n, n = 7, 10, 13, 16 and 21 clusters, for which we report either the complete MBE (n = 7, 10) or the one through the 6-body (n = 13) and the 5-body terms (n = 16, 21). Our results suggest that any sizeable contributions to the total cluster binding energy arising from the 5-body and larger terms are solely an artifact of the size of the basis set. Indeed, all terms above the 4-body converge monotonically to practically zero at the Complete Basis Set (CBS) limit. The magnitudes of the 5-body and above terms are accurately reproduced even with the smaller basis set of the series (aug-cc-pVDZ) once the BSSE correction is taken into account. The same level of theory (MP2/aug-cc-pVDZ, BSSEcorrected) also accurately reproduces the MP2/CBS values of the 3- and 4-body terms. The contribution of electron correlation to the 3- and 4-body terms is quite small, so that neglecting the correlation contribution in all terms above the 3-body results in an error of ??(0.1%). The BSSE correction to the largest 2-body term in the MBE was accurately estimated from the function ?? [1 + erf(-?? ??)], which is proportional to the common (overlapping) area between two Gaussian distributions whose centers are separated by R, with the constants ??, ?? fitted to the calculated BSSE corrections for the individual 2-body terms of the clusters with each basis set. Our results unquestionably demonstrate that the MBE for water-water interactions converges to the 4-body term, since any finite terms above the 4-body are artifacts of the size of the basis set and can be safely truncated at the 4-body term when either a very large basis set is used or BSSE corrections are taken into account even with the aug-cc-pVDZ basis set. We expect these findings to have important consequences in the pursuit of accurate many-body molecular dynamics simulations for aqueous systems.

Heindel, Joseph↗
DOE OSTI2022

Physics-Informed Sparse Gaussian Process for Probabilistic Stability Analysis of Large-Scale Power System with Dynamic PVs and Loads

This work proposes a physics-informed sparse Gaussian process (SGP) for probabilistic stability assessment of large-scale power systems in the presence of uncertain dynamic PVs and loads. The differential and algebraic equations considering uncertainties from dynamic PVs and loads are reformulated to a nonlinear mapping relationship that allows the application of SGP. Thanks to the nonparametric characteristic of Gaussian process, the proposed framework does not require distributions of uncertain inputs and this distinguishes it from existing approaches. As the original Gaussian process is not scalable to large-scale systems with high dimensional uncertain inputs, this paper develops the SGP with a stochastic variational inference technique. It leads to approximately two orders of complex reduction. A data pre-processing step is also introduced to tackle the coexistence of stable and unstable cases by sample clustering and constructing separate SGPs. The probabilistic transient stability index is analyzed to assess system stability under different uncertain dynamics loads and PVs. Comparisons are performed with the sampling-based, the polynomial chaos expansion-based, and traditional Gaussian process-based methods on the modified IEEE 118-bus and Texas 2000-bus systems under various scenarios, including different levels of uncertainties and the existence of nonlinear correlations among dynamic PVs. The impacts of data quality and quantity issues are also investigated. It is shown that the proposed SGP achieves significantly improved computational efficiency while maintaining high accuracy with a limited number of data.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Probing the matter-dominated expansion with multi-redshift Lyman-$α$ BAO from DESI DR2

We present a multi-redshift Baryon Acoustic Oscillations (BAO) analysis of the DESI Data Release 2 (DR2) Lyman-$α$ (Ly$α$) forest, splitting the forest auto-correlation and its cross-correlation with quasars into three redshift bins. We obtain BAO measurements at effective redshifts $z_{\rm eff} = 2.13$, $2.40$, and $2.81$ with $\sim2.0$--$2.5\%$ precision per bin in the radial and transverse directions, corresponding to $\sim1.1$--$1.2\%$ precision for the isotropic BAO measurement. Using the same data products and modeling framework as the DESI DR2 Ly$α$ BAO analysis, we validate the pipeline on $400$ synthetic datasets and find unbiased BAO recovery with well-calibrated uncertainties. The measurements show an increase in the isotropic dilation parameter $D_V/r_d$ from $30.26\pm0.39$ to $32.22\pm0.47$ and in the Alcock-Paczyński parameter $D_M/D_H$ from $3.96\pm0.15$ to $5.63^{+0.22}_{-0.24}$. The Hubble distance $D_H/r_d$ decreases from $9.40\pm0.20$ to $7.22\pm0.17$, providing a direct measurement of the expansion history consistent with $Λ$CDM and the expected matter-dominated scaling, with $H(z)\propto(1+z)^n$ giving $n=1.34\pm0.16$. The redshift split also provides a self-consistent measurement of clustering evolution: the Ly$α$ forest bias evolves as $(1+z)^γ$ with $γ_α=3.05\pm0.16$, the RSD parameter has a redshift evolution described by $γ_β=-0.97\pm0.26$, and the quasar bias evolves with $γ_Q=1.56\pm0.23$, consistent with independent quasar clustering measurements. Combining these three-bin BAO measurements with DESI DR2 galaxy and quasar BAO measurements yields cosmological constraints consistent with the single-bin Ly$α$ BAO analysis in flat $Λ$CDM and $w_0w_a$CDM and improves curvature constraints by $\sim12\%$ in $Λ$CDM$+Ω_\mathrm{K}$.

Herrera-Alcantar, Hiram K. [Paris, Inst. Astrophys↗
DOE OSTI2026

Reconstructing Quasar Spectra and Measuring the Lyα Forest with SpenderQ

Quasar spectra carry the imprint of foreground intergalactic medium (IGM) through absorption features. In particular, absorption caused by neutral hydrogen gas, the "Lyα forest," is a key spectroscopic tracer for cosmological analyses used to measure cosmic expansion and test physics beyond the standard model. Despite their importance, current methods for measuring Lyα absorption cannot directly derive the intrinsic quasar continuum and make strong assumptions on its shape, thus distorting the measured Lyα clustering. We present SpenderQ , a ML-based approach for directly reconstructing the intrinsic quasar spectra and measuring the Lyα forest from observations. SpenderQ uses the Spender spectrum autoencoder to learn a compact and redshift-invariant latent encoding of quasar spectra, combined with an iterative procedure to identify and mask absorption regions. To demonstrate its performance, we apply SpenderQ to 400,000 synthetic quasar spectra created to validate the Dark Energy Spectroscopic Instrument Year 1 Lyα cosmological analyses. SpenderQ accurately reconstructs the true intrinsic quasar spectra, including the broad Lyβ, Lyα, SiIV, CIV, and CIII emission lines. Redward of Lyα, SpenderQ provides percent-level reconstructions of the true quasar spectra. Blueward of Lyα, SpenderQ reconstructs the true spectra to < 5%. SpenderQ reproduces the shapes of individual quasar spectra more robustly than the current state-of-the-art. We, thus, expect it will significantly reduce biases in Lyα clustering measurements and enable studies of quasars and their physical properties. SpenderQ also provides informative latent variable encodings that can be used to, e.g., classify quasars with Broad Absorption Lines. Overall, SpenderQ provides a new data-driven approach for unbiased Lyα forest measurements in cosmological, quasar, and IGM studies.

Hahn, ChangHoon [Arizona U., Astron. Dept. - Stewa↗
DOE OSTI2022

ADG: automated generation and evaluation of many-body diagrams

The goal of the present paper is twofold. First, a novel expansion many-body method applicable to superfluid open-shell nuclei, the so-called Bogoliubov in-medium similarity renormalization group (BIMSRG) theory, is formulated. This generalization of standard single-reference IMSRG theory for closed-shell systems parallels the recent extensions of coupled cluster, self-consistent Green’s function or many-body perturbation theory. Within the realm of IMSRG theories, BIMSRG provides an interesting alternative to the already existing multi-reference IMSRG (MR-IMSRG) method applicable to open-shell nuclei. The algebraic equations for low-order approximations, i.e., BIMSRG(1) and BIMSRG(2), can be derived manually without much difficulty. However, such a methodology becomes already impractical and error prone for the derivation of the BIMSRG(3) equations, which are eventually needed to reach high accuracy. Based on a diagrammatic formulation of BIMSRG theory, the second objective of the present paper is thus to describe the third version (v3.0) of the code that automatically (1) generates all valid BIMSRG(n) diagrams and (2) evaluates their algebraic expressions in a matter of seconds. This is achieved in such a way that equations can easily be retrieved for both the flow equation and the Magnus expansion formulations of BIMSRG. Expanding on this work, the first future objective is to numerically implement BIMSRG(2) (eventually BIMSRG(3)) equations and perform ab initio calculations of mid-mass open-shell nuclei.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Optical depth to reionization from perturbative 21 cm clustering

The optical depth τ is the least well determined parameter in the standard model of cosmology, and one whose precise value is important for both understanding reionization and for inferring fundamental physics from cosmological measurements. Here, we forecast how well future epoch of reionization experiments could constraint τ using a symmetries-based bias expansion that highlights the special role played by anisotropies in the power spectrum on large scales. Given a parametric model for the ionization evolution inspired by the physical behavior of more detailed reionization simulations, we find that future 21 cm experiments could place tight constraints on the timing and duration of reionization and hence constraints on τ that are competitive with proposed, space-based CMB missions provided they can measure k ≈ 0.1 h Mpc -1 with a clean foreground wedge across redshifts spanning the most active periods of reionization, corresponding to ionization fractions 0.2 ≲ x ≲ 0.8. Significantly improving upon existing CMB-based measurements with next-generation 21 cm surveys would require substantially longer observations (~ 5 years) than standard $\mathscr{O}$(1000 hour) integration times. Precise measurements of smaller scales will not improve constraints on τ until a better understanding of the astrophysics of reionization is achieved. In the presence of noise and foregrounds even future 21 cm experiments will struggle to constrain τ if the ionization evolution deviates significantly from simple parametric forms.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Bounded motion design in the Earth zonal problem using differential algebra based normal form methods

Establishing long-term relative bounded motion between orbits in perturbed dynamics is a key challenge in astrodynamics to enable cluster flight with minimum propellant expenditure. Herein, we present an approach that allows for the design of long-term relative bounded motion considering a zonal gravitational model. Entire sets of orbits are obtained via high-order Taylor expansions of Poincarè return maps about reference fixed points. The high-order normal form algorithm is used to determine a change in expansion variables of the map into normal form space, in which the phase space behavior is circular and can be easily parameterized by action–angle coordinates. The action–angle representation of the normal form coordinates is then used to parameterize the original Poincarè return map and average it over a full phase space revolution by a path integral along the angle parameterization. As a result, the averaged nodal period and drift in the ascending node are obtained, for which the bounded motion conditions are straightforwardly imposed. Sets of highly accurate bounded orbits are obtained, extending over several thousand kilometers, and valid for decades.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Defect Generation and Evolution in Irradiated Epitaxial Films and Heterostructures of Fe 3 O 4 and Cr 2 O 3

Abstract The functionality of nuclear structural materials, sensors, and microelectronics in harsh environments such as radiation relies on understanding defect generation and evolution processes in oxide layers. The initial radiation response of epitaxial thin films of Fe 3 O 4 (111), Cr 2 O 3 (0001), and Fe 3 O 4 (111)/Cr 2 O 3 (0001) heterostructures deposited on Al 2 O 3 (0001) by oxygen‐assisted molecular beam epitaxy and irradiated with 200 keV He + is characterized. X‐ray diffraction and X‐ray absorption near edge spectroscopy showed that the Cr 2 O 3 layers underwent significant lattice expansion and disordering under irradiation, whereas the Fe 3 O 4 layers do not exhibit noticeable changes. In contrast, positron annihilation spectroscopy revealed an evolution of cation vacancy point defects in the Fe 3 O 4 layers into larger vacancy clusters with increasing irradiation, while the cation vacancies in Cr 2 O 3 remained primarily as single vacancies and small clusters. The results suggest that the Fe 3 O 4 lattice can utilize the free volume of the larger vacancy clusters to relax but the small vacancies in the Cr 2 O 3 lattice do not facilitate relaxation. Comparing defect concentrations in the single layer films versus the heterostructure suggests that point defects may cross the interface from Fe 3 O 4 into Cr 2 O 3 . Together, these results enhance the understanding of the initial defect evolution mechanisms in oxide layers in harsh irradiation environments.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The Molecular Path Approaching the Active Site in Catalytic Metal–Organic Frameworks

How molecules approach, bind at, and release from catalytic sites is key to heterogeneous catalysis, including for emerging metal-organic framework (MOF)-based catalysts. Here, we use in situ synchrotron X-ray scattering analysis to evaluate the dominant binding sites for reagent and product molecules in the vicinity of catalytic Ni-oxo clusters in NU-1000 with different surface functionalization under conditions approaching those used in catalysis. The locations of the reagent and product molecules within the pores can be linked to the activity for ethylene hydrogenation. For the most active catalyst, ethylene reagent molecules bind close to the catalytic clusters, but only at temperatures approaching experimentally observed onset of catalysis. The ethane product molecules favor a different binding location suggesting that the product is readily released from the active site. An unusual guest-dependence of the framework negative thermal expansion is documented. We hypothesize that reagent and product binding sites reflect the pathway through the MOF to the active site and can be used to identify key factors that impact the catalytic activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Atomic isotropic hyperfine properties for first row elements (B–F) revisited

Benchmark quality isotropic hyperfine properties have been obtained for first row elements (B–F) using a systematic composite approach consisting of a sequence of core/valence correlation consistent basis sets, up through aug-cc-pCV8Z, along with configuration interaction and coupled cluster theory methods. The best nonrelativistic final values (in MHz) are 10.64 (B), 20.22 (C), 10.59 (N), –31.74 (O), and 318.30 (F) and are in very good agreement with available experimental values for these difficult-to-describe properties. Agreement is especially close in the case of N, which has the most accurate experimental value. The spin densities derived from the best composite level of theory were found to closely follow a simple quadratic scaling with the atomic number, Z. Finally, observed convergence rates in the 1-particle and n-particle expansions obtained here may be useful in judging likely accuracy that can be expected in studies of molecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Too big, too small, or just right? A benchmark assessment of density functional theory for predicting the spatial extent of the electron density of small chemical systems

Multipole moments are the first-order responses of the energy to spatial derivatives of the electric field strength. The quality of density functional theory prediction of molecular multipole moments thus characterizes errors in modeling the electron density itself, as well as the performance in describing molecules interacting with external electric fields. However, only the lowest non-zero moment is translationally invariant, making the higher-order moments origin-dependent. Therefore, instead of using the 3 × 3 quadrupole moment matrix, we utilize the translationally invariant 3 × 3 matrix of second cumulants (or spatial variances) of the electron density as the quantity of interest (denoted by K). The principal components of K are the square of the spatial extent of the electron density along each axis. A benchmark dataset of the principal components of K for 100 small molecules at the coupled cluster singles and doubles with perturbative triples at the complete basis set limit is developed, resulting in 213 independent K components. The performance of 47 popular and recent density functionals is assessed against this Var213 dataset. Several functionals, especially double hybrids, and also SCAN and SCAN0 predict reliable second cumulants, although some modern, empirically parameterized functionals yield more disappointing performance. The H, Li, and Be atoms, in particular, are challenging for nearly all methods, indicating that future functional development could benefit from the inclusion of their density information in training or testing protocols.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Formation and detection of metastable formic acid in a supersonic expansion: High resolution infrared spectroscopy of the jet-cooled cis -HCOOH conformer

High-resolution direct absorption infrared spectra of metastable cis-formic acid (HCOOH) trapped in a cis-well resonance behind a 15 kcal/mol barrier are reported for the first time, with the energetically unstable conformer produced in a supersonic slit plasma expansion of trans-formic acid/H 2 mixtures. We present a detailed high-resolution rovibrational analysis for cis-formic acid species in the OH stretch (ν 1 ) fundamental, providing first precision vibrational band origin, rotational constants, and term values, which in conjunction with ab initio calculations at the couple-cluster with single, double, and perturbative triple [CCSD(T)]/ANOn (n = 0, 1, 2) level support the experimental assignments and establish critical points on the potential energy surface for internal rotor trans-to-cis isomerization. Relative intensities for a- and b-type transitions observed in the spectra permit the transition dipole moment components to be determined in the body fixed frame and prove to be in good agreement with ab initio CCSD(T) theoretical estimates but in poor agreement with simple bond-dipole predictions. As a result, the observed signal dependence on H 2 in the discharge suggests the presence of a novel H atom radical chemical mechanism for strongly endothermic “up-hill” internal rotor isomerization between trans- and cis-formic acid conformers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Engineering Citrobacter freundii using CRISPR/Cas9 system

The CRISPR/Cas9 (clustered regularly interspaced short palindromic repeats/CRISPR associated proteins) system is a useful tool to edit genomes quickly and efficiently. However, the use of CRISPR/Cas9 to edit bacterial genomes has been limited to select microbial chassis primarily used for bioproduction of high value products. Thus, expansion of CRISPR/Cas9 tools to other microbial organisms is needed. Here, our aim was to assess the suitability of CRISPR/Cas9 for genome editing of the Citrobacter freundii type strain ATCC 8090. We evaluated the commonly used two plasmid pCas/pTargetF system to enable gene deletions and insertions in C. freundii and determined editing efficiency. The CRISPR/Cas9 based method enabled high editing efficiency (~91%) for deletion of galactokinase (galk) and enabled deletion with various single guide RNA (sgRNA) sequences. To assess the ability of CRISPR/Cas9 tools to insert genes, we used the fluorescent reporter mNeonGreen, an endopeptidase (yebA), and a transcriptional regulator (xylS) and found successful insertion with high efficiency (81-100%) of each gene individually. These results strengthen and expand the use of CRISPR/Cas9 genome editing to C. freundii as an additional microbial chassis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Hierarchical Truncations for Many-Body Expansion Potentials

In this work, a new strategy to truncate high-order terms in the many-body expansion (MBE) is proposed. This new approach, which we call a hierarchical many-body expansion (HMBE), is based on a hierarchical partition of the system into multitier fragments and can in principle be applied to any large molecular system. Numerical tests on a series of (H 2 O) 64 structures are presented, demonstrating satisfactory relative energies between the clusters and binding energies of individual clusters compared with full-cluster calculations, with significantly fewer high-order terms computed than conventional MBE. The hierarchical truncation can be augmented by certain many-body terms for fragments at the interface between the partitions (called “Schengen terms”) to further improve accuracy. This work establishes the HMBE scheme as a promising framework to model very large systems (e.g., proteins), which are naturally built on a hierarchical structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

The completed SDSS-IV extended Baryon Oscillation Spectroscopic Survey: N -body mock challenge for the quasar sample

ABSTRACT The growth rate and expansion history of the Universe can be measured from large galaxy redshift surveys using the Alcock–Paczynski effect. We validate the Redshift Space Distortion models used in the final analysis of the Sloan Digital Sky Survey (SDSS) extended Baryon Oscillation Spectroscopic Survey (eBOSS) Data Release 16 quasar clustering sample, in configuration and Fourier space, using a series of halo occupation distribution mock catalogues generated using the OuterRim N-body simulation. We test three models on a series of non-blind mocks, in the OuterRim cosmology, and blind mocks, which have been rescaled to new cosmologies, and investigate the effects of redshift smearing and catastrophic redshifts. We find that for the non-blind mocks, the models are able to recover fσ8 to within 3 per cent and α∥ and α⊥ to within 1 per cent. The scatter in the measurements is larger for the blind mocks, due to the assumption of an incorrect fiducial cosmology. From this mock challenge, we find that all three models perform well, with similar systematic errors on fσ8, α∥, and α⊥ at the level of $\sigma _{f\sigma _8}=0.013$, $\sigma _{\alpha _\parallel }=0.012$, and $\sigma _{\alpha _\bot }=0.008$. The systematic error on the combined consensus is $\sigma _{f\sigma _8}=0.011$, $\sigma _{\alpha _\parallel }=0.008$, and $\sigma _{\alpha _\bot }=0.005$, which is used in the final DR16 analysis. For baryon acoustic oscillation fits in configuration and Fourier space, we take conservative systematic errors of $\sigma _{\alpha _\parallel }=0.010$ and $\sigma _{\alpha _\bot }=0.007$.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Reticular Structural Diversification of Zirconium Metal–Organic Frameworks Through Angular Ligand Configuration Control

Reticular chemistry offers practical guidelines for enlarging and enriching the arsenal of metal–organic frameworks (MOFs). However, reticular expansion to access mesoporous structures remains challenging due to limitations in achieving precise control over both the size and configuration during building units’ extension. Herein, we combine ligand isomerization and functionalization strategies to regulate the ligand configuration by systematically replacing aryl C–H groups with N atoms, resulting in angular dicarboxylate ligands with various symmetries. The assembly between a 4,4′-(pyridine-2,6-diyl)dibenzoic acid ligand (1N, C 2 symmetry) and 12-connected Zr 6 cluster leads to the formation of a pseudo ftw topology framework (NU-2611), where one pair of nose-to-nose 1N ligands resembles a tetra-topic ligand. When a 6,6′-(1,3-phenylene)dinicotinic acid ligand (2N, C S symmetry) was used, another pseudo ftw network NU-2612 was obtained with a 2-fold framework interpenetration. Interestingly, the planar [2,2′:6′,2″-terpyridine]-5,5″-dicarboxylic acid ligand (3N, C 2V symmetry) yielded an intriguing mesoporous Zr-MOF with kag topology. NU-2613 represents the first example of kag Zr-MOF designed to include large, well-defined mesopores. The diversity of these MOFs was further enhanced through post-synthetic metalation of linkers. Particularly, metalation of the chelating 3N ligand with Fe 3+ in NU-2613 enables efficient catalytic transformation within the functionalized channels. This work contributes insight into the reticular expansion of Zr-MOFs by finely-tuning the ligand planarity, advancing the structure diversification of mesoporous frameworks for specific applications.

Cluster chemistry↗
DOE OSTI2021

First report of Seville root-knot nematode, Meloidogyne hispanica (Nematoda: Meloidogynidae) in the USA and North America

A high number of second stage juveniles of the root-knot nematode were recovered from soil samples collected from a corn field, located in Pickens County, South Carolina, USA in 2019. Extracted nematodes were examined morphologically and molecularly for species identification which indicated that the specimens of root knot juveniles were Meloidogyne hispanica. The morphological examination and morphometric details from second-stage juveniles were consistent with the original description and redescriptions of this species. The ITS rRNA, D2-D3 expansion segments of 28S rRNA, intergenic COII-16S region, nad5 and COI gene sequences were obtained from the South Carolina population of M. hispanica. Phylogenetic analysis of the intergenic COII-16S region of mtDNA gene sequence alignment using statistical parsimony showed that the South Carolina population clustered with Meloidogyne hispanica from Portugal and Australia. To our best knowledge, this finding represents the first report of Meloidogyne hispanica in the USA and North America.

59 BASIC BIOLOGICAL SCIENCES↗