Recent Submissions

  • Numerical Computation of Detonation Stability

    Kabanov, Dmitry (2018-06-03) [Dissertation]
    Advisors: Kasimov, Aslan R.; Tzavaras, Athanasios
    Committee members: Ketcheson, David I.; Samtaney, Ravi; Rosales, Rodolfo Rubén
    Detonation is a supersonic mode of combustion that is modeled by a system of conservation laws of compressible fluid mechanics coupled with the equations describing thermodynamic and chemical properties of the fluid. Mathematically, these governing equations admit steady-state travelling-wave solutions consisting of a leading shock wave followed by a reaction zone. However, such solutions are often unstable to perturbations and rarely observed in laboratory experiments. The goal of this work is to study the stability of travelling-wave solutions of detonation models by the following novel approach. We linearize the governing equations about a base travelling-wave solution and solve the resultant linearized problem using high-order numerical methods. The results of these computations are postprocessed using dynamic mode decomposition to extract growth rates and frequencies of the perturbations and predict stability of travelling-wave solutions to infinitesimal perturbations. We apply this approach to two models based on the reactive Euler equations for perfect gases. For the first model with a one-step reaction mechanism, we find agreement of our results with the results of normal-mode analysis. For the second model with a two-step mechanism, we find that both types of admissible travelling-wave solutions exhibit the same stability spectra. Then we investigate the Fickett’s detonation analogue coupled with a particular reaction-rate expression. In addition to the linear stability analysis of this model, we demonstrate that it exhibits rich nonlinear dynamics with multiple bifurcations and chaotic behavior.
  • Positivity-preserving CE/SE schemes for solving the compressible Euler and Navier–Stokes equations on hybrid unstructured meshes

    Shen, Hua; Parsani, Matteo (Computer Physics Communications, Elsevier BV, 2018-05-28) [Article]
    We construct positivity-preserving space–time conservation element and solution element (CE/SE) schemes for solving the compressible Euler and Navier–Stokes equations on hybrid unstructured meshes consisting of triangular and rectangular elements. The schemes use an a posteriori limiter to prevent negative densities and pressures based on the premise of preserving optimal accuracy. The limiter enforces a constraint for spatial derivatives and does not change the conservative property of CE/SE schemes. Several numerical examples suggest that the proposed schemes preserve accuracy for smooth flows and strictly preserve positivity of densities and pressures for the problems involving near vacuum and very strong discontinuities.
  • In silico exploration of Red Sea Bacillus genomes for natural product biosynthetic gene clusters

    Othoum, Ghofran K.; Bougouffa, Salim; Mohamad Razali, Rozaimi; Bokhari, Ameerah; Alamoudi, Soha; Antunes, André; Gao, Xin; Hoehndorf, Robert; Arold, Stefan T.; Gojobori, Takashi; Hirt, Heribert; Mijakovic, Ivan; Bajic, Vladimir B.; Lafi, Feras Fawzi; Essack, Magbubah (BMC Genomics, Springer Nature, 2018-05-22) [Article]
    BackgroundThe increasing spectrum of multidrug-resistant bacteria is a major global public health concern, necessitating discovery of novel antimicrobial agents. Here, members of the genus Bacillus are investigated as a potentially attractive source of novel antibiotics due to their broad spectrum of antimicrobial activities. We specifically focus on a computational analysis of the distinctive biosynthetic potential of Bacillus paralicheniformis strains isolated from the Red Sea, an ecosystem exposed to adverse, highly saline and hot conditions.ResultsWe report the complete circular and annotated genomes of two Red Sea strains, B. paralicheniformis Bac48 isolated from mangrove mud and B. paralicheniformis Bac84 isolated from microbial mat collected from Rabigh Harbor Lagoon in Saudi Arabia. Comparing the genomes of B. paralicheniformis Bac48 and B. paralicheniformis Bac84 with nine publicly available complete genomes of B. licheniformis and three genomes of B. paralicheniformis, revealed that all of the B. paralicheniformis strains in this study are more enriched in nonribosomal peptides (NRPs). We further report the first computationally identified trans-acyltransferase (trans-AT) nonribosomal peptide synthetase/polyketide synthase (PKS/ NRPS) cluster in strains of this species.ConclusionsB. paralicheniformis species have more genes associated with biosynthesis of antimicrobial bioactive compounds than other previously characterized species of B. licheniformis, which suggests that these species are better potential sources for novel antibiotics. Moreover, the genome of the Red Sea strain B. paralicheniformis Bac48 is more enriched in modular PKS genes compared to B. licheniformis strains and other B. paralicheniformis strains. This may be linked to adaptations that strains surviving in the Red Sea underwent to survive in the relatively hot and saline ecosystems.
  • A Study of Schrödinger–Type Equations Appearing in Bohmian Mechanics and in the Theory of Bose–Einstein Condensates

    Sierra Nunez, Jesus Alfredo (2018-05-16) [Dissertation]
    Advisor: Markowich, Peter A.
    Committee members: Gomes, Diogo A.; Alouini, Mohamed-Slim; Marcati, Pierangelo
    The Schrödinger equations have had a profound impact on a wide range of fields of modern science, including quantum mechanics, superfluidity, geometrical optics, Bose-Einstein condensates, and the analysis of dispersive phenomena in the theory of PDE. The main purpose of this thesis is to explore two Schrödinger-type equations appearing in the so-called Bohmian formulation of quantum mechanics and in the study of exciton-polariton condensates. For the first topic, the linear Schrödinger equation is the starting point in the formulation of a phase-space model proposed in [1] for the Bohmian interpretation of quantum mechanics. We analyze this model, a nonlinear Vlasov-type equation, as a Hamiltonian system defined on an appropriate Poisson manifold built on Wasserstein spaces, the aim being to establish its existence theory. For this purpose, we employ results from the theory of PDE, optimal transportation, differential geometry and algebraic topology. The second topic of the thesis is the study of a nonlinear Schrödinger equation, called the complex Gross-Pitaevskii equation, appearing in the context of Bose-Einstein condensation of exciton-polaritons. This model can be roughly described as a driven-damped Gross-Pitaevskii equation which shares some similarities with the complex Ginzburg-Landau equation. The difficulties in the analysis of this equation stem from the fact that, unlike the complex Ginzburg-Landau equation, the complex Gross-Pitaevskii equation does not include a viscous dissipation term. Our approach to this equation will be in the framework of numerical computations, using two main tools: collocation methods and numerical continuation for the stationary solutions and a time-splitting spectral method for the dynamics. After performing a linear stability analysis on the computed stationary solutions, we are led to postulate the existence of radially symmetric stationary ground state solutions only for certain values of the parameters in the equation; these parameters represent the “strength” of the driving and damping terms. Moreover, numerical continuation allows us to show, for fixed parameters, the ground and some of the excited state solutions of this equation. Finally, for the values of the parameters that do not produce a stable radially symmetric solution, our dynamical computations show the emergence of rotating vortex lattices.
  • Ensemble Kalman Filter Inference of Spatially-varying Manning’s n coefficients in the Coastal Ocean

    Siripatana, Adil; Mayo, Talea; Knio, Omar; Dawson, Clint; Maître, Olivier Le; Hoteit, Ibrahim (Journal of Hydrology, Elsevier BV, 2018-05-16) [Article]
    Ensemble Kalman (EnKF) filtering is an established framework for large scale state estimation problems. EnKFs can also be used for state-parameter estimation, using the so-called “Joint-EnKF” approach. The idea is simply to augment the state vector with the parameters to be estimated and assign invariant dynamics for the time evolution of the parameters. In this contribution, we investigate the efficiency of the Joint-EnKF for estimating spatially-varying Manning’s n coefficients used to define the bottom roughness in the Shallow Water Equations (SWEs) of a coastal ocean model.Observation System Simulation Experiments (OSSEs) are conducted using the ADvanced CIRCulation (ADCIRC) model, which solves a modified form of the Shallow Water Equations. A deterministic EnKF, the Singular Evolutive Interpolated Kalman (SEIK) filter, is used to estimate a vector of Manning’s n coefficients defined at the model nodal points by assimilating synthetic water elevation data. It is found that with reasonable ensemble size (O(10)), the filter’s estimate converges to the reference Manning’s field. To enhance performance, we have further reduced the dimension of the parameter search space through a Karhunen-Loéve (KL) expansion. We have also iterated on the filter update step to better account for the nonlinearity of the parameter estimation problem. We study the sensitivity of the system to the ensemble size, localization scale, dimension of retained KL modes, and number of iterations. The performance of the proposed framework in term of estimation accuracy suggests that a well-tuned Joint-EnKF provides a promising robust approach to infer spatially varying seabed roughness parameters in the context of coastal ocean modeling.
  • Local Likelihood Approach for High-Dimensional Peaks-Over-Threshold Inference

    Baki, Zhuldyzay (2018-05-14) [Thesis]
    Advisor: Huser, Raphaël
    Committee members: Hoteit, Ibrahim; Sun, Ying
    Global warming is affecting the Earth climate year by year, the biggest difference being observable in increasing temperatures in the World Ocean. Following the long- term global ocean warming trend, average sea surface temperatures across the global tropics and subtropics have increased by 0.4–1◦C in the last 40 years. These rates become even higher in semi-enclosed southern seas, such as the Red Sea, threaten- ing the survival of thermal-sensitive species. As average sea surface temperatures are projected to continue to rise, careful study of future developments of extreme temper- atures is paramount for the sustainability of marine ecosystem and biodiversity. In this thesis, we use Extreme-Value Theory to study sea surface temperature extremes from a gridded dataset comprising 16703 locations over the Red Sea. The data were provided by Operational SST and Sea Ice Analysis (OSTIA), a satellite-based data system designed for numerical weather prediction. After pre-processing the data to account for seasonality and global trends, we analyze the marginal distribution of ex- tremes, defined as observations exceeding a high spatially varying threshold, using the Generalized Pareto distribution. This model allows us to extrapolate beyond the ob- served data to compute the 100-year return levels over the entire Red Sea, confirming the increasing trend of extreme temperatures. To understand the dynamics govern- ing the dependence of extreme temperatures in the Red Sea, we propose a flexible local approach based on R-Pareto processes, which extend the univariate Generalized Pareto distribution to the spatial setting. Assuming that the sea surface temperature varies smoothly over space, we perform inference based on the gradient score method over small regional neighborhoods, in which the data are assumed to be stationary in space. This approach allows us to capture spatial non-stationarity, and to reduce the overall computational cost by taking advantage of distributed computing resources. Our results reveal an interesting extremal spatial dependence structure: in particular, from our estimated model, we conclude that significant extremal dependence prevails for distances up to about 2500 km, which roughly corresponds to the Red Sea length.
  • Linear Analyses of Magnetohydrodynamic Richtmyer-Meshkov Instability in Cylindrical Geometry

    Bakhsh, Abeer (2018-05-13) [Dissertation]
    Advisor: Samtaney, Ravi
    Committee members: Keyes, David E.; Kasimov, Aslan R.; Wheatley, V.
    We investigate the Richtmyer-Meshkov instability (RMI) that occurs when an incident shock impulsively accelerates the interface between two different fluids. RMI is important in many technological applications such as Inertial Confinement Fusion (ICF) and astrophysical phenomena such as supernovae. We consider RMI in the presence of the magnetic field in converging geometry through both simulations and analytical means in the framework of ideal magnetohydrodynamics (MHD). In this thesis, we perform linear stability analyses via simulations in the cylindrical geometry, which is of relevance to ICF. In converging geometry, RMI is usually followed by the Rayleigh-Taylor instability (RTI). We show that the presence of a magnetic field suppresses the instabilities. We study the influence of the strength of the magnetic field, perturbation wavenumbers and other relevant parameters on the evolution of the RM and RT instabilities. First, we perform linear stability simulations for a single interface between two different fluids in which the magnetic field is normal to the direction of the average motion of the density interface. The suppression of the instabilities is most evident for large wavenumbers and relatively strong magnetic fields strengths. The mechanism of suppression is the transport of vorticity away from the density interface by two Alfv ́en fronts. Second, we examine the case of an azimuthal magnetic field at the density interface. The most evident suppression of the instability at the interface is for large wavenumbers and relatively strong magnetic fields strengths. After the shock interacts with the interface, the emerging vorticity breaks up into waves traveling parallel and anti-parallel to the magnetic field. The interference as these waves propagate with alternating phase causing the perturbation growth rate of the interface to oscillate in time. Finally, we propose incompressible models for MHD RMI in the presence of normal or azimuthal magnetic field. The linearized equations are solved numerically using inverse Laplace transform. The incompressible models show that the magnetic field suppresses the RMI, and the mechanism of this suppression depends on the orientation of the initially applied magnetic field. The incompressible model agrees reasonably well with compressible linear simulations.
  • A Priori Regularity of Parabolic Partial Differential Equations

    Berkemeier, Francisco (2018-05-13) [Thesis]
    Advisor: Gomes, Diogo A.
    Committee members: Tzavaras, Athanasios; Santamarina, Carlos
    In this thesis, we consider parabolic partial differential equations such as the heat equation, the Fokker-Planck equation, and the porous media equation. Our aim is to develop methods that provide a priori estimates for solutions with singular initial data. These estimates are obtained by understanding the time decay of norms of solutions. First, we derive regularity results for the heat equation by estimating the decay of Lebesgue norms. Then, we apply similar methods to the Fokker-Planck equation with suitable assumptions on the advection and diffusion. Finally, we conclude by extending our techniques to the porous media equation. The sharpness of our results is confirmed by examining known solutions of these equations. The main contribution of this thesis is the use of functional inequalities to express decay of norms as differential inequalities. These are then combined with ODE methods to deduce estimates for the norms of solutions and their derivatives.
  • Convergent Difference Schemes for Hamilton-Jacobi equations

    Duisembay, Serikbolsyn (2018-05-07) [Thesis]
    Advisor: Gomes, Diogo A.
    Committee members: Alouini, Mohamed-Slim; Parsani, Matteo
    In this thesis, we consider second-order fully nonlinear partial differential equations of elliptic type. Our aim is to develop computational methods using convergent difference schemes for stationary Hamilton-Jacobi equations with Dirichlet and Neumann type boundary conditions in arbitrary two-dimensional domains. First, we introduce the notion of viscosity solutions in both continuous and discontinuous frameworks. Next, we review Barles-Souganidis approach using monotone, consistent, and stable schemes. In particular, we show that these schemes converge locally uniformly to the unique viscosity solution of the first-order Hamilton-Jacobi equations under mild assumptions. To solve the scheme numerically, we use Euler map with some initial guess. This iterative method gives the viscosity solution as a limit. Moreover, we illustrate our numerical approach in several two-dimensional examples.
  • X-ray created metamaterials: applications to metal-free structural colors with full chromaticity spectrum and 80 nm spatial resolution

    Bonifazi, Marcella; Mazzone, Valerio; Fratalocchi, Andrea (Conference on Lasers and Electro-Optics, OSA, 2018-05-07) [Conference Paper]
    We created new types of metamaterials by hard X-rays possessing high fluency. We discuss applications in structural colors that show full spectrum of Cyan, Yellow, Magenta, Black (CYMK), realized in transparent dielectrics with 80 nm resolution.
  • Displacement Convexity for First-Order Mean-Field Games

    Seneci, Tommaso (2018-05-01) [Thesis]
    Advisor: Gomes, Diogo A.
    Committee members: Markowich, Peter A.; Ombao, Hernando
    In this thesis, we consider the planning problem for first-order mean-field games (MFG). These games degenerate into optimal transport when there is no coupling between players. Our aim is to extend the concept of displacement convexity from optimal transport to MFGs. This extension gives new estimates for solutions of MFGs. First, we introduce the Monge-Kantorovich problem and examine related results on rearrangement maps. Next, we present the concept of displacement convexity. Then, we derive first-order MFGs, which are given by a system of a Hamilton-Jacobi equation coupled with a transport equation. Finally, we identify a large class of functions, that depend on solutions of MFGs, which are convex in time. Among these, we find several norms. This convexity gives bounds for the density of solutions of the planning problem.
  • Metagenome-based diversity analyses suggest a strong locality signal for bacterial communities associated with oyster aquaculture farms in Ofunato Bay

    Kobiyama, Atsushi; Ikeo, Kazuho; Reza, Md. Shaheed; Rashid, Jonaira; Yamada, Yuichiro; Ikeda, Yuri; Ikeda, Daisuke; Mizusawa, Nanami; Sato, Shigeru; Ogata, Takehiko; Jimbo, Mitsuru; Kudo, Toshiaki; Kaga, Shinnosuke; Watanabe, Shiho; Naiki, Kimiaki; Kaga, Yoshimasa; Mineta, Katsuhiko; Bajic, Vladimir B.; Gojobori, Takashi; Watabe, Shugo (Gene, Elsevier BV, 2018-04-30) [Article]
    Ofunato Bay, in Japan, is the home of buoy-and-rope-type oyster aquaculture activities. Since the oysters filter suspended materials and excrete organic matter into the seawater, bacterial communities residing in its vicinity may show dynamic changes depending on the oyster culture activities. We employed a shotgun metagenomic technique to study bacterial communities near oyster aquaculture facilities at the center of the bay (KSt. 2) and compared the results with those of two other localities far from the station, one to the northeast (innermost bay, KSt. 1) and the other to the southwest (bay entrance, KSt. 3). Seawater samples were collected every month from January to December 2015 from the surface (1 m) and deeper (8 or 10 m) layers of the three locations, and the sequentially filtered fraction on 0.2-μm membranes was sequenced on an Illumina MiSeq system. The acquired reads were uploaded to MG-RAST for KEGG functional abundance analysis, while taxonomic analyses at the phylum and genus levels were performed using MEGAN after parsing the BLAST output. Discrimination analyses were then performed using the ROC-AUC value of the cross validation, targeting the depth (shallow or deep), locality [(KSt. 1 + KSt. 2) vs. KSt 3; (KSt. 1 + KSt. 3) vs. KSt. 2 or the (KSt. 2 + KSt. 3) vs. KSt. 1] and seasonality (12 months). The matrix discrimination analysis on the adjacent 2 continuous seasons by ROC-AUC, which was based on the datasets that originated from different depths, localities and months, showed the strongest discrimination signal on the taxonomy matrix at the phylum level for the datasets from July to August compared with those from September to June, while the KEGG matrix showed the strongest signal for the datasets from March to June compared with those from July to February. Then, the locality combination was subjected to the same ROC-AUC discrimination analysis, resulting in significant differences between KSt. 2 and KSt. 1 + KSt. 3 on the KEGG matrix. These results suggest that aquaculture activities markedly affect bacterial functions.
  • Seasonal changes in the communities of photosynthetic picoeukaryotes in Ofunato Bay as revealed by shotgun metagenomic sequencing

    Rashid, Jonaira; Kobiyama, Atsushi; Reza, Md. Shaheed; Yamada, Yuichiro; Ikeda, Yuri; Ikeda, Daisuke; Mizusawa, Nanami; Ikeo, Kazuho; Sato, Shigeru; Ogata, Takehiko; Kudo, Toshiaki; Kaga, Shinnosuke; Watanabe, Shiho; Naiki, Kimiaki; Kaga, Yoshimasa; Mineta, Katsuhiko; Bajic, Vladimir B.; Gojobori, Takashi; Watabe, Shugo (Gene, Elsevier BV, 2018-04-30) [Article]
    Small photosynthetic eukaryotes play important roles in oceanic food webs in coastal regions. We investigated seasonal changes in the communities of photosynthetic picoeukaryotes (PPEs) of the class Mamiellophyceae, including the genera Bathycoccus, Micromonas and Ostreococcus, in Ofunato Bay, which is located in northeastern Japan and faces the Pacific Ocean. The abundances of PPEs were assessed over a period of one year in 2015 at three sampling stations, KSt. 1 (innermost bay area), KSt. 2 (middle bay area) and KSt. 3 (bay entrance area) at depths of 1 m (KSt. 1, KSt. 2 and KSt. 3), 8 m (KSt. 1) or 10 m (KSt. 2 and KSt. 3) by employing MiSeq shotgun metagenomic sequencing. The total abundances of Bathycoccus, Ostreococcus and Micromonas were in the ranges of 42–49%, 35–49% and 13–17%, respectively. Considering all assayed sampling stations and depths, seasonal changes revealed high abundances of PPEs during the winter and summer and low abundances during late winter to early spring and late summer to early autumn. Bathycoccus was most abundant in the winter, and Ostreococcus showed a high abundance during the summer. Another genus, Micromonas, was relatively low in abundance throughout the study period. Taken together with previously suggested blooming periods of phytoplankton, as revealed by chlorophyll a concentrations in Ofunato Bay during spring and late autumn, these results for PPEs suggest that greater phytoplankton blooming has a negative influence on the seasonal occurrences of PPEs in the bay.
  • First-order, stationary mean-field games with congestion

    Evangelista, David; Ferreira, Rita; Gomes, Diogo A.; Nurbekyan, Levon; Voskanyan, Vardan K. (Nonlinear Analysis, Elsevier BV, 2018-04-30) [Article]
    Mean-field games (MFGs) are models for large populations of competing rational agents that seek to optimize a suitable functional. In the case of congestion, this functional takes into account the difficulty of moving in high-density areas. Here, we study stationary MFGs with congestion with quadratic or power-like Hamiltonians. First, using explicit examples, we illustrate two main difficulties: the lack of classical solutions and the existence of areas with vanishing densities. Our main contribution is a new variational formulation for MFGs with congestion. With this formulation, we prove the existence and uniqueness of solutions. Finally, we consider applications to numerical methods.
  • Taxonomic profiles in metagenomic analyses of free-living microbial communities in the Ofunato Bay

    Reza, Md. Shaheed; Kobiyama, Atsushi; Yamada, Yuichiro; Ikeda, Yuri; Ikeda, Daisuke; Mizusawa, Nanami; Ikeo, Kazuho; Sato, Shigeru; Ogata, Takehiko; Jimbo, Mitsuru; Kudo, Toshiaki; Kaga, Shinnosuke; Watanabe, Shiho; Naiki, Kimiaki; Kaga, Yoshimasa; Mineta, Katsuhiko; Bajic, Vladimir B.; Gojobori, Takashi; Watabe, Shugo (Gene, Elsevier BV, 2018-04-27) [Article]
    The Ofunato Bay in Iwate Prefecture, Japan is a deep coastal bay located at the center of the Sanriku Rias coast and considered an economically and environmentally important asset. Here, we describe the first whole genome sequencing (WGS) study on the microbial community of the bay, where surface water samples were collected from three stations along its length to cover the entire bay; we preliminarily sequenced a 0.2 μm filter fraction among sequentially size-fractionated samples of 20.0, 5.0, 0.8 and 0.2 μm filters, targeting the free-living fraction only. From the 0.27–0.34 Gb WGS library, 0.9 × 106–1.2 × 106 reads from three sampling stations revealed 29 bacterial phyla (~80% of assigned reads), 3 archaeal phyla (~4%) and 59 eukaryotic phyla (~15%). Microbial diversity obtained from the WGS approach was compared with 16S rRNA gene results by mining WGS metagenomes, and we found similar estimates. The most frequently recovered bacterial sequences were Proteobacteria, predominantly comprised of 18.0–19.6% Planktomarina (Family Rhodobacteraceae) and 13.7–17.5% Candidatus Pelagibacter (Family Pelagibacterales). Other dominant bacterial genera, including Polaribacter (3.5–6.1%), Flavobacterium (1.8–2.6%), Sphingobacterium (1.4–1.6%) and Cellulophaga (1.4–2.0%), were members of Bacteroidetes and likely associated with the degradation and turnover of organic matter. The Marine Group I Archaea Nitrosopumilus was also detected. Remarkably, eukaryotic green alga Bathycoccus, Ostreococcus and Micromonas accounted for 8.8–15.2%, 3.6–4.9% and 2.1–3.1% of total read counts, respectively, highlighting their potential roles in the phytoplankton bloom after winter mixing.
  • Seasonal changes in the abundance of bacterial genes related to dimethylsulfoniopropionate catabolism in seawater from Ofunato Bay revealed by metagenomic analysis

    Kudo, Toshiaki; Kobiyama, Atsushi; Rashid, Jonaira; Reza, Shaheed; Yamada, Yuichiro; Ikeda, Yuri; Ikeda, Daisuke; Mizusawa, Nanami; Ikeo, Kazuho; Sato, Shigeru; Ogata, Takehiko; Jimbo, Mitsuru; Kaga, Shinnosuke; Watanabe, Shiho; Naiki, Kimiaki; Kaga, Yoshimasa; Segawa, Satoshi; Mineta, Katsuhiko; Bajic, Vladimir B.; Gojobori, Takashi; Watabe, Shugo (Gene, Elsevier BV, 2018-04-26) [Article]
    Ofunato Bay is located in the northeastern Pacific Ocean area of Japan, and it has the highest biodiversity of marine organisms in the world, primarily due to tidal influences from the cold Oyashio and warm Kuroshio currents. Our previous results from performing shotgun metagenomics indicated that Candidatus Pelagibacter ubique and Planktomarina temperata were the dominant bacteria (Reza et al., 2018a, 2018b). These bacteria are reportedly able to catabolize dimethylsulfoniopropionate (DMSP) produced from phytoplankton into dimethyl sulfide (DMS) or methanethiol (MeSH). This study was focused on seasonal changes in the abundances of bacterial genes (dddP, dmdA) related to DMSP catabolism in the seawater of Ofunato Bay by BLAST+ analysis using shotgun metagenomic datasets. We found seasonal changes among the Candidatus Pelagibacter ubique strains, including those of the HTCC1062 type and the Red Sea type. A good correlation was observed between the chlorophyll a concentrations and the abundances of the catabolic genes, suggesting that the bacteria directly interact with phytoplankton in the marine material cycle system and play important roles in producing DMS and MeSH from DMSP as signaling molecules for the possible formation of the scent of the tidewater or as fish attractants.
  • Basin-scale seasonal changes in marine free-living bacterioplankton community in the Ofunato Bay

    Reza, Md. Shaheed; Kobiyama, Atsushi; Yamada, Yuichiro; Ikeda, Yuri; Ikeda, Daisuke; Mizusawa, Nanami; Ikeo, Kazuho; Sato, Shigeru; Ogata, Takehiko; Jimbo, Mitsuru; Kudo, Toshiaki; Kaga, Shinnosuke; Watanabe, Shiho; Naiki, Kimiaki; Kaga, Yoshimasa; Mineta, Katsuhiko; Bajic, Vladimir B.; Gojobori, Takashi; Watabe, Shugo (Gene, Elsevier BV, 2018-04-26) [Article]
    The Ofunato Bay in the northeastern Pacific Ocean area of Japan possesses the highest biodiversity of marine organisms in the world and has attracted much attention due to its economic and environmental importance. We report here a shotgun metagenomic analysis of the year-round variation in free-living bacterioplankton collected across the entire length of the bay. Phylogenetic differences among spring, summer, autumn and winter bacterioplankton suggested that members of Proteobacteria tended to decrease at high water temperatures and increase at low temperatures. It was revealed that Candidatus Pelagibacter varied seasonally, reaching as much as 60% of all sequences at the genus level in the surface waters during winter. This increase was more evident in the deeper waters, where they reached up to 75%. The relative abundance of Planktomarina also rose during winter and fell during summer. A significant component of the winter bacterioplankton community was Archaea (mainly represented by Nitrosopumilus), as their relative abundance was very low during spring and summer but high during winter. In contrast, Actinobacteria and Cyanobacteria appeared to be higher in abundance during high-temperature periods. It was also revealed that Bacteroidetes constituted a significant component of the summer bacterioplankton community, being the second largest bacterial phylum detected in the Ofunato Bay. Its members, notably Polaribacter and Flavobacterium, were found to be high in abundance during spring and summer, particularly in the surface waters. Principal component analysis and hierarchal clustering analyses showed that the bacterial communities in the Ofunato Bay changed seasonally, likely caused by the levels of organic matter, which would be deeply mixed with surface runoff in the winter.
  • A Fault-Tolerant HPC Scheduler Extension for Large and Operational Ensemble Data Assimilation:Application to the Red Sea

    Toye, Habib; Kortas, Samuel; Zhan, Peng; Hoteit, Ibrahim (Journal of Computational Science, Elsevier BV, 2018-04-26) [Article]
    A fully parallel ensemble data assimilation and forecasting system has been developed for the Red Sea based on the MIT general circulation model (MITgcm) to simulate the Red Sea circulation and the Data Assimilation Research Testbed (DART) ensemble assimilation software. An important limitation of operational ensemble assimilation systems is the risk of ensemble members’ collapse. This could happen in those situations when the filter update step imposes large corrections on one, or more, of the forecasted ensemble members that are not fully consistent with the model physics. Increasing the ensemble size is expected to improve the assimilation system performances, but obviously increases the risk of members’ collapse. Hardware failure or slow numerical convergence encountered for some members should also occur more frequently. In this context, the manual steering of the whole process appears as a real challenge and makes the implementation of the ensemble assimilation procedure uneasy and extremely time consuming.This paper presents our efforts to build an efficient and fault-tolerant MITgcm-DART ensemble assimilation system capable of operationally running thousands of members. Built on top of Decimate, a scheduler extension developed to ease the submission, monitoring and dynamic steering of workflow of dependent jobs in a fault-tolerant environment, we describe the assimilation system implementation and discuss in detail its coupling strategies. Within Decimate, only a few additional lines of Python is needed to define flexible convergence criteria and to implement any necessary actions to the forecast ensemble members, as for instance (i) restarting faulty job in case of job failure, (ii) changing the random seed in case of poor convergence or numerical instability, (iii) adjusting (reducing or increasing) the number of parallel forecasts on the fly, (iv) replacing members on the fly to enrich the ensemble with new members, etc.We demonstrate the efficiency of the system with numerical experiments assimilating real satellites sea surface height and temperature observations in the Red Sea.
  • Genome Reduction in Psychromonas Species within the Gut of an Amphipod from the Ocean’s Deepest Point

    Zhang, Weipeng; Tian, Ren-Mao; Sun, Jin; Bougouffa, Salim; Ding, Wei; Cai, Lin; Lan, Yi; Tong, Haoya; Li, Yongxin; Jamieson, Alan J.; Bajic, Vladimir B.; Drazen, Jeffrey C.; Bartlett, Douglas; Qian, Pei-Yuan (mSystems, American Society for Microbiology, 2018-04-25) [Article]
    Amphipods are the dominant scavenging metazoan species in the Mariana Trench, the deepest known point in Earth's oceans. Here the gut microbiota of the amphipod Hirondellea gigas collected from the Challenger and Sirena Deeps of the Mariana Trench were investigated. The 11 amphipod individuals included for analyses were dominated by Psychromonas, of which a nearly complete genome was successfully recovered (designated CDP1). Compared with previously reported free-living Psychromonas strains, CDP1 has a highly reduced genome. Genome alignment showed deletion of the trimethylamine N-oxide (TMAO) reducing gene cluster in CDP1, suggesting that the
  • Transcriptional landscape of Mycobacterium tuberculosis infection in macrophages

    Roy, Sugata; Schmeier, Sebastian; Kaczkowski, Bogumil; Arner, Erik; Alam, Tanvir; Ozturk, Mumin; Tamgue, Ousman; Parihar, Suraj P.; Kawaji, Hideya; Itoh, Masayoshi; Lassmann, Timo; Carninci, Piero; Hayashizaki, Yoshihide; Forrest, Alistair R. R.; Guler, Reto; Bajic, Vladimir B.; Brombacher, Frank; Suzuki, Harukazu (Scientific Reports, Springer Nature, 2018-04-24) [Article]
    Mycobacterium tuberculosis (Mtb) infection reveals complex and dynamic host-pathogen interactions, leading to host protection or pathogenesis. Using a unique transcriptome technology (CAGE), we investigated the promoter-based transcriptional landscape of IFNγ (M1) or IL-4/IL-13 (M2) stimulated macrophages during Mtb infection in a time-kinetic manner. Mtb infection widely and drastically altered macrophage-specific gene expression, which is far larger than that of M1 or M2 activations. Gene Ontology enrichment analysis for Mtb-induced differentially expressed genes revealed various terms, related to host-protection and inflammation, enriched in up-regulated genes. On the other hand, terms related to dis-regulation of cellular functions were enriched in down-regulated genes. Differential expression analysis revealed known as well as novel transcription factor genes in Mtb infection, many of them significantly down-regulated. IFNγ or IL-4/IL-13 pre-stimulation induce additional differentially expressed genes in Mtb-infected macrophages. Cluster analysis uncovered significant numbers, prolonging their expressional changes. Furthermore, Mtb infection augmented cytokine-mediated M1 and M2 pre-activations. In addition, we identified unique transcriptional features of Mtb-mediated differentially expressed lncRNAs. In summary we provide a comprehensive in depth gene expression/regulation profile in Mtb-infected macrophages, an important step forward for a better understanding of host-pathogen interaction dynamics in Mtb infection.

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