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At least 505 records · Page 28

Atomistic Defect Makes a Phase Plate for the Generation and High-Angular Splitting of Electron Vortex Beams

Topological defects in solid-state materials by breaking the translational symmetry offer emerging properties that are not present in their parental phases. For example, edge dislocations—the 2π phase-winding topological defects—in antiferromagnetic NiO crystals can exhibit ferromagnetic behaviors. We study how these defects could give rise to topological orders when they interact with a high-energy electron beam. To probe this interaction, we formed a coherent electron nanobeam in a scanning transmission electron microscope and recorded the far-field transmitted patterns as the beam steps through the edge dislocation core in [001] NiO. Surprisingly, we found the amplitude patterns of the <020> Bragg disks evolve in a similar manner to the evolution of an annular solar eclipse. Using the ptychographic technique, we recovered the missing phase information in the diffraction plane and revealed the topological phase vortices in the diffracted beams. Through atomic topological defects, the wave function of electrons can be converted from plane wave to electron vortex. Technologically, this approach provides a feasible route for the fabrication of phase plates that can generate electron vortex beams with an angular separation that is three orders of magnitude larger than what traditional nanofabrication technology can offer. This advance will enable the collection of magnetic circular dichroism spectra with high spatial resolution and high efficiency, boosting the understanding of the relationship between symmetry breaking and magnetic property of individual topological defect at the atomic scale.

36 MATERIALS SCIENCE↗

Unveiling damage mechanisms of chromium-coated zirconium-based fuel claddings at LWR operating temperature by in-situ digital image correlation

Here, we investigate the coupled thermomechanical fracture mechanisms of coated nuclear fuel claddings at Light Water Reactor (LWR) operating temperatures. These coated claddings are a highly attractive, near-term solution, which addresses the demands for accident-tolerant fuel systems and provide greater oxidation resistance. However, the fracture mechanisms of these coatings, which may create channels for oxidation ingression, must be fully understood prior to implementation. Thus, high-temperature expanding plug experiments were conducted on coated cladding specimens at a temperature of 315 °C, consistent with the operating environment of LWRs. Furthermore, in-situ thermomechanical deformation was measured with stereo digital image correlation during heating and mechanical testing to separately resolve contributions of thermal and mechanical strain. Digital image correlation, supported by acoustic emissions (AE) detection, was also leveraged to track cracking activity during loading. Coating fracture was found to initiate at total hoop strains of 0.34%. The thermal deformation of the coated claddings was investigated via finite element simulations, revealing a bidirectional stress-state within the coating with axial and circumferential strains of 0.026 and 0.031%. This bidirectional stress-state was attributed with the generation of off-axis fracture pattern within the coating as identified via post-experiment scanning electron microscopy. Thus, this study unveiled critical, coupled thermomechanical mechanisms governing the coating fracture of coated claddings at LWR temperatures.

36 MATERIALS SCIENCE↗

Alkali triel chalcogenide nanocrystals: a molecular reactivity approach to ternary phase selectivity

Alkali-metal-based materials are promising building blocks for energy conversion and storage technologies. Here, we use a molecular reactivity-based solution-phase approach to selectively synthesize multiple phases and specific polymorphs of lithium- and sodium-containing triel chalcogenide nanocrystals, LiTrCh 2 , NaTrCh 2 , and NaTr 3 Ch 5 , where Tr = Ga and In and Ch = S, Se, and Te. Analogous to the case of binary II–VI and III–V tetrahedral semiconductors, where the two commonly isolated zinc blende and wurtzite polymorphs are separated by only 1–50 meV f.u. −1 , we find that LiTrCh 2 nanocrystals easily adopt tetragonal (chalcopyrite) and orthorhombic polymorphs separated by only 2.7–6.2 meV f.u. −1 Because of this small energy difference, soft colloidal synthesis succeeds in accessing either one of these polymorphs, depending on the specific dichalcogenide precursor used. Highly reactive diethyl diselenide favors the thermodynamically more stable tetragonal I$\bar{4}2$d phase, whereas mildly reactive diphenyl diselenide favors the kinetic, metastable orthorhombic Pna2 1 phase. Density functional theory calculations confirm the relative energies among multiple LiTrCh 2 polymorphs and also model the observed powder X-ray diffraction pattern of a new C2 NaIn 3 Te 5 phase. 7 Li, 69 Ga, and 77 Se solid-state NMR spectra are consistent with phase-pure ternary LiGaSe 2 nanocrystals. A majority of the nanocrystal compositions are visible-light emitters. This work opens the door to new Li/Na-based ternary triel chalcogenide nanostructures for energy storage and conversion applications.

Pavel, Md Riad Sarkar [Iowa State Univ., Ames, IA ↗

A Novel Hit-Based Method to Distinguish Tracks and Showers in ProtoDUNE Single Phase

Pandora is a pattern recognition software used in liquid argon time projection chamber (LArTPC) experiments such as MicroBooNE, DUNE, SBND, ICARUS, and ProtoDUNE Single Phase (SP). The output of a LArTPC can be considered a high-resolution 2D image and energy depositions, called hits, from particles in a LArTPC create complicated topologies that are broadly classified into tracks and showers. The event reconstruction is particularly challenging when there are multiple overlapping particles and in order to fully harness the imaging capabilities of thoseexperiments, Pandora needs to separate them. A hit-based approach to this problem is presented, which analyses small regions around each hit in events from DUNE Far Detector (FD) and from those regions it calculates local variables that are used subsequently in a machine learning approach. After this stage, it is given to each hit a probability to belong to a track or shower-like particle. Results will show the performance of separation between tracks and showers. This method is planned to be used for ProtoDUNE SP.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Tailoring the Properties of Chemically Recyclable Polyethylene‐Like Multiblock Polymers by Modulating the Branch Structure

Abstract Developing plastics that fill the need of polyolefins yet are more easily recyclable is a critical need to address the plastic waste crisis. However, most efforts in this vein have focused on high‐density polyethylene (PE), while many different types of PE exist. To create broadly sustainable PE with modular properties, we present the synthesis, characterization, and demonstration of materials applications for chemically recyclable PE‐like multiblock polymers prepared from distinct hard and soft blocks using ruthenium‐catalyzed dehydrogenative polymerization. By altering the branching pattern within the soft blocks, a series of PE‐like multiblock polymers were synthesized with tunable glass transition temperatures ( T g ) while maintaining consistent high melting temperatures ( T m ). A clear U‐shape trend between T g and mechanical properties was found, showcasing their potential as sustainable materials with tailored properties spanning commercial linear low‐density polyethylene (LLDPE) and low‐density polyethylene (LDPE). These materials offer adjustable adhesive strength to metal and demonstrate chemical recyclability and selective depolymerization in mixed plastic streams, promoting circularity and separation.

Zhao, Yucheng↗

Tailoring the Properties of Chemically Recyclable Polyethylene‐Like Multiblock Polymers by Modulating the Branch Structure

Abstract Developing plastics that fill the need of polyolefins yet are more easily recyclable is a critical need to address the plastic waste crisis. However, most efforts in this vein have focused on high‐density polyethylene (PE), while many different types of PE exist. To create broadly sustainable PE with modular properties, we present the synthesis, characterization, and demonstration of materials applications for chemically recyclable PE‐like multiblock polymers prepared from distinct hard and soft blocks using ruthenium‐catalyzed dehydrogenative polymerization. By altering the branching pattern within the soft blocks, a series of PE‐like multiblock polymers were synthesized with tunable glass transition temperatures ( T g ) while maintaining consistent high melting temperatures ( T m ). A clear U‐shape trend between T g and mechanical properties was found, showcasing their potential as sustainable materials with tailored properties spanning commercial linear low‐density polyethylene (LLDPE) and low‐density polyethylene (LDPE). These materials offer adjustable adhesive strength to metal and demonstrate chemical recyclability and selective depolymerization in mixed plastic streams, promoting circularity and separation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A new Transition Radiation detector based on GEM technology

Transition Radiation Detectors (TRD) have the potential feature of separating particles by their gamma factor. Classical TRDs are based on Multi-Wire Proportional Chambers (MWPC) or straw tubes, using a Xenon based gas mixture to efficiently absorb transition radiation photons. These detectors operate well in experiments with relatively low particle multiplicity. The performance of MWPC-TRD in experiments with luminosity of order 10 34 cm 2 s –1 and above, is significantly deteriorated due to the high particle multiplicity and channel occupancy. Replacing MWPC or straw tubes with a high granularity Micro Pattern Gas Detectors (MPGD) like Gas Electron Multipliers (GEMs), could improve the performance of the TRD. In addition, GEM technology allows one to combine a tracker with TRD identification (GEM-TRD/T). This report presents a new TRD development based on GEM technology for the future Electron Ion Collider (EIC). The first beam test was performed at Jefferson Lab (Hall-D) using 3–6 GeV electrons. A GEM-TRD/T module has been exposed to electrons with and without a fiber radiator. First results of test beam measurements and comparison with Geant4 Monte Carlo are introduced here.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Atomic Layer Deposition for Spatial Control of Redox Reaction Selectivity

Photocatalytic water splitting holds great potential in the pursuit of the U.S. Department of Energy's Hydrogen Shot initiative to bring the cost of H2 to $1/kg by 2031. A key challenge in the development of photocatalysts is increasing their overall solar-to-hydrogen efficiency by enhancing charge separation yields and redox selectivity. In this work, we use area selective ALD of oxide films to develop tunable interphase layers for selective oxidation and reduction reactions on a single substrate. This presentation details initial synthesis and characterization of Pt- and Au-based planar thin film electrodes in which Au regions were deactivated towards ALD growth through self-assembled thiol monolayers. The suppression of TiO2 ALD selectivity of thiols was assessed through ellipsometry, X-ray photoelectron spectroscopy (XPS), and cyclic voltammetry. A patterned planar sample comprised of interdigitated arrays of Au and Pt, used as a surrogate for a photocatalyst particle containing two different co-catalysts, was exposed to ALD growth and removal of the inhibitor species. Scanning electrochemical microscopy (SECM) was used then to probe the local activity of different regions of the patterned surface towards the hydrogen evolution reaction (HER) and iron oxidation and correlated with the ionic and e- blocking effects of the area selective ALD coating. We will also detail the application of these findings to the ongoing development of 3D, particle-based photocatalysts.

atomic layer deposition↗

Multiscale simulations reveal TDP-43 molecular-level interactions driving condensation

The RNA-binding protein TDP-43 is associated with mRNA processing and transport from the nucleus to the cytoplasm. TDP-43 localizes in the nucleus as well as accumulating in cytoplasmic condensates such as stress granules. Aggregation and formation of amyloid-like fibrils of cytoplasmic TDP-43 are hallmarks of numerous neurodegenerative diseases, most strikingly present in >90% of amyotrophic lateral sclerosis (ALS) patients. If excessive accumulation of cytoplasmic TDP-43 causes, or is caused by, neurodegeneration is presently not known. In this work, we use molecular dynamics simulations at multiple resolutions to explore TDP-43 self- and cross-interaction dynamics. A full-length molecular model of TDP-43, all 414 amino acids, was constructed from select structures of the protein functional domains (N-terminal domain, and two RNA recognition motifs, RRM1 and RRM2) and modeling of disordered connecting loops and the low complexity glycine-rich C-terminus domain. All-atom CHARMM36m simulations of single TDP-43 proteins served as guides to construct a coarse-grained Martini 3 model of TDP-43. The Martini model and a coarser implicit solvent Cα model, optimized for disordered proteins, were subsequently used to probe TDP-43 interactions; self-interactions from single-chain full-length TDP-43 simulations, cross-interactions from simulations with two proteins and simulations with assemblies of dozens to hundreds of proteins. Our findings illustrate the utility of different modeling scales for accessing TDP-43 molecular-level interactions and suggest that TDP-43 has numerous interaction preferences or patterns, exhibiting an overall strong, but dynamic, association and driving the formation of biomolecular condensates.

59 BASIC BIOLOGICAL SCIENCES↗

Jet stability and wall impingement flow field in a thermal striping experiment

We present velocity and temperature field measurements for a 0.9 x 0.9 x 1.7 m glass tank in which two air jets at Re=10000 mix and impinge upon the lid at ambient temperature and pressure. Flow patterns are characterized across a 350 x 200 mm plane located 3 mm below the lid for two inlet geometries: 1) “extended”, in which inlet channels protrude above the tank base, and 2) “flush”, a flat base without protrusions. This minor geometry variation produced distinct changes in the lid flow field, appearing as three stagnant regions for the extended case and only one for flush. The dichotomy is attributed to system stability characteristics: jets are stable in the extended case and unstable for flush. In a separate set of nonisothermal tests, the impingement temperature field was measured for inlet temperature mismatches of 4 oC and jets near Re=10000. A 50 m-long fiber optic distributed temperature sensor positioned 2 mm below the lid measured at 1350 locations. Like the velocity fields, the temperature fields differ for the two inlet geometries: good thermal mixing for the flush case and subdued mixing for the extended case. Simulations with the spectral element code Nek5000 replicated the observed stability dichotomy, duplicating the number of stagnant regions observed in the experiment and matching their locations within ±10 mm. Simulation data suggests that flush case instability is due to interactions between jets and wall flows at the bottom of the tank. The clear flow dichotomy exhibited by this two-jet setup presents an unambiguous case to test the ability of CFD tools to predict subtle flow field changes driven by minor modifications in geometry in the context of thermal striping.

42 ENGINEERING↗

Identification of NpO 2+x in the binary Np-O system

In contrast to UO 2 and PuO 2 , there is no consensus on the existence of mixed valence NpO 2+x , resulting in a gap between NpO 2 and Np 2 O 5 (the highest binary oxide of Np) in the Np-O phase diagram. We now show NpO 2+x via Np L III Extended X-ray Absorption Fine Structure (EXAFS) spectra of three samples of NpO 2 that, analogous to U and Pu, exhibit multisite Np-O distributions with varying numbers of oxygen atoms at 1.87–1.91 Å. Furthermore this is supported by the diffraction pattern of the sample with the largest amount of this oxo-type species that can be refined with both the simple fluorite structure and a trigonal one related to α-U 4 O 9 . The implied Np(V)-bridging oxo moieties as well as possible indications of OH - found by detailed EXAFS analysis suggest that NpO 2+x more closely resembles PuO 2+x than UO 2+x . An additional common characteristic suggested by the EXAFS and X-Ray Diffraction (XRD) is the phase separation into NpO 2 and what would be previously unreported Np 4 O 9(-δ) , indicative of O clustering.

36 MATERIALS SCIENCE↗

Intermittent Frontogenesis in the Alboran Sea

Abstract We present a phenomenological description and dynamical analysis of the Alboran fronts using a realistic simulation at submesoscale resolution. The study is focused on east Alboran fronts emerging within relatively strong flows that separate from the Spanish coast into the basin interior. Despite modest lateral shifting associated with the position of the Alboran anticyclonic gyres and variations in intensity, these fronts present a similar structure and dynamical configuration as the climatological Almeria–Oran front. The statistical analysis of our solution shows that strained-induced frontogenesis is a recurrent submesoscale mechanism associated with these fronts, and the process is assessed in terms of the advective Lagrangian frontogenetic tendencies associated with buoyancy and velocity horizontal gradients. Intermittency in their strength and patterns is indicative of high variability in the occurrence of active frontogenesis in association with the secondary (overturning) circulation across the frontal gradient. As a result, we find many episodes with strong surface fronts that do not have much associated downwelling. Frontogenesis and the associated secondary circulation are further explored during two particular frontal events, both showing strong downwelling of (1) cm s −1 extending down into the pycnocline. A frontogenetic contribution of turbulent vertical momentum mixing to the secondary circulation is identified in the easternmost region during the cold season, when the dynamics are strongly influenced by the intrusion of the salty Northern Current. The background vertical velocity fields observed during the analyzed events indicate other currents in the submesoscale range, including tidal and topographic internal waves.

Capó, Esther↗

Coordination Chemistry and f-Element Complexation by Diethylenetriamine- N , N "bis(acetylglycine)- N , N ', N "-triacetic Acid

Here, potentiometric and spectroscopic techniques were used to evaluate the coordination behavior and thermodynamic features of trivalent f-element complexation by diethylenetriamine- N,N" -bis(acetylglycine)- N,N',N" -triacetic acid (DTTA-DAG) and its di(acetylglycine ethyl ester) analogue [diethylenetriamine- N,N" -bis(acetylglycine ethyl ester)- N,N',N" -triacetic acid (DTTA-DAGEE)]. Protonation constants and stability constants of trivalent lanthanide complexes (except Pm 3+ ) were determined by potentiometry. Six protonation sites and three metal–ligand complexes [ML 2– , MHL – , and MH 2 L(aq)] were quantified for DTTA-DAG. Four protonation sites and one metal–ligand complex [ML(aq)] were observed for DTTA-DAGEE, consistent with the presence of two ester groups. Absorption spectroscopy was utilized to measure the stability constants for complexation of trivalent neodymium and americium by DTTA-DAG and trivalent neodymium by DTTA-DAGEE. The coordination environment of trivalent europium in the presence of DTTA-DAG was investigated at various acidities by luminescence lifetime measurements. Decay constants indicate one water molecule in the inner coordination sphere across the 1.0 < pH < 5.5 range, presumably due to octadentate coordination by DTTA-DAG. A trans-lanthanide pattern of complex stabilities for DTTA-DAG was found to be analogous to that observed for DTPA, with a ~10 6 reduction of the complex stability. The lessened strength of complexation, relative to DTPA, was attributed to significant reduction of the total ligand basicity for DTTA-DAG due to the electronic influence of amide functionalization. When DTTA-DAG is used as an aqueous holdback complexant in liquid–liquid distribution experiments, the preferential coordination of Am 3+ in the aqueous environment offers efficient An/Ln differentiation. The separation extends to pH 2 conditions, where the kinetics of phase transfer in such liquid–liquid systems are aided by the acid-catalyzed dissociation of a metal/aminopolycarboxylate complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Intradomain phase transitions in flexible block copolymers with self-aligning segments

We study a model of flexible block copolymers (BCPs) in which there is an enlthalpic preference for orientational order, or local alignment, among like-block segments. We describe a generalization of the self-consistent field theory of flexible BCPs to include inter-segment orientational interactions via a Landau-de Gennes free energy associated with a polar or nematic order parameter for segments of one component of a diblock copolymer. We study the equilibrium states of this model numerically, using a pseudo-spectral approach to solve for chain conformation statistics in the presence of a self-consistent torque generated by inter-segment alignment forces. Applying this theory to the structure of lamellar domains composed of symmetric diblocks possessing a single block of “self-aligning” polar segments, we show the emergence of spatially complex segment order parameters (segment director fields) within a given lamellar domain. Because BCP phase separation gives rise to spatially inhomogeneous orientation order of segments even in the absence of explicit intra-segment aligning forces, the director fields of BCPs, as well as thermodynamics of lamellar domain formation, exhibit a highly non-linear dependence on both the inter-block segregation ( χ N ) and the enthalpy of alignment (ε). Specifically, we predict the stability of new phases of lamellar order in which distinct regions of alignment coexist within the single mesodomain and spontaneously break the symmetries of the lamella (or smectic) pattern of composition in the melt via in-plane tilt of the director in the centers of the like-composition domains. We further show that, in analogy to Freedericksz transition confined nematics, the elastic costs to reorient segments within the domain, as described by the Frank elasticity of the director, increase the threshold value ε needed to induce this intra-domain phase transition .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Using Homogenized Models to Explore the Effect of Fracture Densities on Weathering

Despite its importance, only a few researchers have incorporated the effects of fracturing into models of reactive transport for rock weathering. Here we explore 2D simulations that describe weathering under conditions of diffusive and advective transport within heterogeneous media consisting of rocky blocks and fractures. In our simulations, the Darcy velocities vary in space and time and depend on weathering processes within the rock matrix. We explore simulations with saturated and unsaturated flow for weathering bedrock that consists of blocks separated by inert or weathered material. The simulations show that a simplified homogenized model can approximate exact solutions for some of the simulated columns and hills and can allow exploration of coupling between flow and reaction in fractured rock. These hillslope simulations document that, even in the presence of 2D water flow, i) an increase in fracture density results in faster weathering advance rates; and ii) the water table locates deeper for a rock system that is weathered and fractured rather than weathered and unfractured. Some of these patterns have also been observed for natural systems. But these simulations also highlight how simplified models that do not use appropriate averaging of heterogeneities can be inaccurate in predicting weathering rate for natural systems. For example, if water flows both vertically and laterally through the vadose zone of a hill, then a prediction of the depth of regolith that is based on modeling strictly unidirectional downward infiltration will be unrealistically large. Likewise, if the fracture density observed near the land surface is used in a model to predict depth of weathering for a system where the fracture density decreases downward, the model will overestimate regolith depth. Learning how to develop accurately homogenized models could thus enable better conceptual models and predictions of weathering advance in natural systems.

58 GEOSCIENCES↗

LANL Meteorology Program Self-Assessment 2025 Update

The LANL Meteorological (Met) Program has been subject to several external reviews over the past 19 years. The DOE Meteorological Coordinating Council (DMCC) conducted an initial Met Program Site Assist Visit (SAV) in August 2006 (DMCC 2006). A follow-up SAV in August 2015 assessed progress (DMCC 2015), and in June 2023, the DOE Meteorological Subcommittee (DMSC), successor to the DMCC, conducted a second follow-up SAV (DMSC 2023), in which the Met Program was evaluated relative to the following 8 high-level questions: • What is the state of the meteorological services provided to its customers? • What is the quality of meteorological data provided to its customers and is it adequate and available to meet all customer needs? • What is the quality of atmospheric transport and diffusion modeling provided to its customers and is it applicable to complex wind flow patterns at LANL? • Are the current and future meteorological service customers being serviced appropriately? • Are there adequate human resources to meet present and future program customer needs and are they being appropriately leveraged? • Are existing instrumentation, facilities, and systems adequate to meet present and future customer needs? • Are LANL meteorological services conducted in an efficient, cost-effective manner? • Is meteorological data used to ensure safety & health of LANL personnel? More specific evaluations were performed relative to 23 performance objectives extracted from the ANSI/ANS-3.11- 2024 national standard and 14 separate performance objectives associated with consequence assessment and atmospheric transport and diffusion modeling in the consequence assessment element of DOE G 151.1-1B. In 2023, the DMSC SAV Team also reviewed the status of each of the 18 remaining recommendations from its 2015 SAV. Based on this review, DMSC stated in its Exit Briefing that the LANL meteorological program has gotten much stronger and more robust since 2015 and now represents one of the better managed programs within the DOE complex.

54 ENVIRONMENTAL SCIENCES↗

Quantifying drivers of wild pig movement across multiple spatial and temporal scales

The movement behavior of an animal is determined by extrinsic and intrinsic factors that operate at multiple spatio-temporal scales, yet much of our knowledge of animal movement comes from studies that examine only one or two scales concurrently. Understanding the drivers of animal movement across multiple scales is crucial for understanding the fundamentals of movement ecology, predicting changes in distribution, describing disease dynamics, and identifying efficient methods of wildlife conservation and management. We obtained over 400,000 GPS locations of wild pigs from 13 different studies spanning six states in southern U.S.A., and quantified movement rates and home range size within a single analytical framework. We used a generalized additive mixed model framework to quantify the effects of five broad predictor categories on movement: individual-level attributes, geographic factors, landscape attributes, meteorological conditions, and temporal variables. We examined effects of predictors across three temporal scales: daily, monthly, and using all data during the study period. We considered both local environmental factors such as daily weather data and distance to various resources on the landscape, as well as factors acting at a broader spatial scale such as ecoregion and season. We found meteorological variables (temperature and pressure), landscape features (distance to water sources), a broad-scale geographic factor (ecoregion), and individual-level characteristics (sex-age class), drove wild pig movement across all scales, but both the magnitude and shape of covariate relationships to movement differed across temporal scales. The analytical framework we present can be used to assess movement patterns arising from multiple data sources for a range of species while accounting for spatio-temporal correlations. Our analyses show the magnitude by which reaction norms can change based on the temporal scale of response data, illustrating the importance of appropriately defining temporal scales of both the movement response and covariates depending on the intended implications of research (e.g., predicting effects of movement due to climate change versus planning local-scale management). We argue that consideration of multiple spatial scales within the same framework (rather than comparing across separate studies post-hoc) gives a more accurate quantification of cross-scale spatial effects by appropriately accounting for error correlation.

60 APPLIED LIFE SCIENCES↗

Metatranscriptomic Analyses of Diel Metabolic Functions During a Microcystis Bloom in Western Lake Erie (United States)

This study examined diel shifts in metabolic functions of Microcystis spp. during a 48-h Lagrangian survey of a toxin-producing cyanobacterial bloom in western Lake Erie in the aftermath of the 2014 Toledo Water Crisis. Transcripts mapped to the genomes of recently sequenced lower Great Lakes Microcystis isolates showed distinct patterns of gene expression between samples collected across day (10:00 h, 16:00 h) and night (22:00 h, 04:00 h). Daytime transcripts were enriched in functions related to Photosystem II (e.g., psbA), nitrogen and phosphate acquisition, cell division (ftsHZ), heat shock response (dnaK, groEL), and uptake of inorganic carbon (rbc, bicA). Genes transcribed during nighttime included those involved in phycobilisome protein synthesis and Photosystem I core subunits. Hierarchical clustering and principal component analysis (PCA) showed a tightly clustered group of nighttime expressed genes, whereas daytime transcripts were separated from each other over the 48-h duration. Lack of uniform clustering within the daytime transcripts suggested that the partitioning of gene expression in Microcystis is dependent on both circadian regulation and physicochemical changes within the environment.

59 BASIC BIOLOGICAL SCIENCES↗