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Investigation of the chemical interface in the soybean–aphid and rice–bacteria interactions using MALDI-mass spectrometry imaging
Mass spectrometry imaging (MSI) is an emerging technology for high-resolution plant biology. It has been utilized to study plant–pest interactions, but limited to the surface interfaces. Here we expand the technology to explore the chemical interactions occurring inside the plant tissues. Two sample preparation methods, imprinting and fracturing, were developed and applied, for the first time, to visualize internal metabolites of leaves in matrix-assisted laser desorption ionization (MALDI)-MSI. This is also the first time nanoparticle-based ionization was implemented to ionize diterpenoid phytochemicals that were difficult to analyze with traditional organic matrices. The interactions between rice–bacterium and soybean–aphid were investigated as two model systems to demonstrate the capability of high-resolution MSI based on MALDI. Localized molecular information on various plant- or pest-derived chemicals provided valuable insight for the molecular processes occurring during the plant–pest interactions. Basically, salicylic acid and isoflavone based resistance was visualized in the soybean–aphid system and antibiotic diterpenoids in rice–bacterium interactions.
Examining Interactions of Uranyl(VI) Ions with Amino Acids in the Gas Phase
Gas-phase experiments, using electrospray ionization quadrupole ion trap mass spectrometry (ESI-QIT/MS), were conducted to probe basic interactions of the uranyl(VI) ion, UO 2 2+ , with selected natural amino acids, namely, L-cysteine (Cys), L-histidine (His), and L-aspartic acid (Asp), which strongly bind to metal ions. The simplest amino acid, glycine (Gly), was also studied for comparison. Cys, His, and Asp have additional potentially coordinating groups beyond the amino and carboxylic acid functional groups, specifically thiol in Cys, imidazole in His, and a second carboxylate in Asp. Gas-phase experiments comprised collision-induced dissociation (CID) of uranyl–amino acid complexes and competitive CID to assess the relative binding strength of different amino acids in the same uranyl complex. Reactivity of selected uranyl–amino acid complexes with water provided further insights into relative stabilities. In positive ion mode, CID and ensuing reactions with water suggested that uranyl–neutral AA binding strength decreased in the order His > Asp > Cys > Gly, which is similar to amino acid proton affinities. In negative ion mode, CID revealed a decreasing dissociation tendency in the order Gly >> His ≈ Cys > Asp, presumably reflecting a reverse enhanced binding to uranyl of the doubly deprotonated amino acids formed in CID.
Probing Induced Structural Changes in Biomimetic Bacterial Cell Membrane Interactions with Divalent Cations
Biological membranes, formed primarily by the self-assembly of complex mixtures of phospholipids, provide a structured scaffold for compartmentalization and structural processes in living cells. The specific physical properties of phospholipid species present in a given membrane play a key role in mediating these processes. Phosphatidylethanolamine (PE), a zwitterionic lipid present in bacterial, yeast, and mammalian cell membranes, is exceptional. In addition to undergoing the standard lipid polymorphic transition between the gel and liquid-crystalline phase, it can also assume an unusual polymorphic state, the inverse hexagonal phase (HII). Divalent cations are among the factors that drive the formation of the HII phase, wherein the lipid molecules form stacked tubular structures by burying the hydrophilic head groups and exposing the hydrophobic tails to the bulk solvent. Most biological membranes contain a lipid species capable of forming the HII state suggesting that such lipid polymorphic structural states play an important role in structural biological processes such as membrane fusion. In this study, the interactions between Mg2+ and biomimetic bacterial cell membranes composed of PE and phosphatidylglycerol (PG) were probed using differential scanning calorimetry (DSC), small-angle x-ray scattering (SAXS), and fluorescence spectroscopy. The lipid phase transitions were examined at varying ratios of PE to PG and upon exposure to physiologically relevant concentrations of Mg2+. An understanding of these basic interactions enhances our understanding of membrane dynamics and how membrane-mediated structural changes may occur in vivo.
Final Report: Searches for New Physics Phenomena in Hadronic Jet Production in the early ATLAS data
The project is using the data taken during the early running period of the Large Hadron Collider (LHC) at CERN in Geneva, Switzerland to explore the fundamental properties and the basic interactions of matter in a yet unexplored energy regime. The central goal is to search for unexpected “new physics” phenomena using the data taken with the ATLAS detector in proton proton collisions at a center of mass energy of 8 TeV. For this purpose the production rates and the angular distributions of hadronic jets are studiess which have, of all high energy processes at a hadron collider, the largest production rates. Measurements of multi-jet quantities provide unique access to the kinematic region at highest energies and, thus, unique potential to discover new physics phenomena, not explained by the Standard Model of particle physics. The project is performed in collaboration with Dr. Michael Begel from Brookhaven National Laboratory (BNL).
Final Report: Magnetotransport studies of low dimensional electron systems based on GaAs/AlGaAs heterostructures and graphene
Emergence is the process of complex behaviors arising out of a multiplicity of basic interactions. Emergent phenomena often exhibit remarkable, useful, and collective aspects - features which have helped to make emergent behavior a topic of current research. A high quality GaAs/AlGaAs two-dimensional electron system subjected to modest microwave/terahertz photo-excitation at low temperature exhibits radiation-induced zero-resistance states at small magnetic fields, and this phenomenon has been cited as evidence for emergence in a driven, steady state non-equilibrium context. Since the initial observations, photo-excited electronic systems have become a popular arena to search for new physical phenomena.
N-{Delta} weak transition
A short review of the Rein-Sehgal and isobar models is presented. The attention is focused on the nucleon-{Delta}(1232) weak transition form-factors. The results of the recent re-analyses of the ANL and BNL bubble chamber neutrino-deuteron scattering data are discussed.
Determination of the Basic Parameters of Impact Interaction of Abrasive Particles Against the Blades of the Rotor Accelerator of a Centrifugal Mill
Ways to improve the efficiency with which materials are pulverized in impact centrifugal mills as well as ways of preventing wear of the blades are proposed. The problem is solved using equations that describe the motion of particles on the surface of the rotor in a polar coordinate system. It is discovered that the rate of impact of the particles against a blade increases linearly with increasing angular velocity. The angle of attack and radius of contact of a particle with the blade are independent of this velocity, though they are substantially affected by the initial position of the particles. The nature of the variation of the rate of impact and the angle of attack is determined, based on which possible wear of the blades may be predicted and measures taken to reduce wear.
Structure of Sesquisabinene Synthase 1, a Terpenoid Cyclase That Generates a Strained [3.1.0] Bridged-Bicyclic Product
The natural product sesquisabinene is a key component of the fragrant essential oil of the sandalwood tree, currently valued at $5,000/L. Sesquisabinene contains a highly strained [3.1.0] bicyclic ring system and is generated from farnesyl diphosphate in a reaction catalyzed by a class I terpenoid cyclase. To understand how the enzyme directs the formation of a strained hydrocarbon ring system, in this study we report the X-ray crystal structure of sesquisabinene synthase 1 (SQS1) from the Indian sandalwood tree ( Santalum album ). Specifically, we report the structure of unliganded SQS1 at 1.90 Å resolution and the structure of its complex with three Mg 2+ ions and the inhibitor ibandronate at 2.10 Å resolution. The bisphosphonate group of ibandronate coordinates to all three metal ions and makes hydrogen bond interactions with basic residues at the mouth of the active site. These interactions are similarly required for activation of the substrate diphosphate group to initiate catalysis, although partial occupancy binding of the Mg 2+ B ion suggests that this structure represents the penultimate metal coordination complex just prior to substrate activation. The structure of the liganded enzyme enables a precise definition of the enclosed active site contour that serves as a template for the cyclization reaction. This contour is very product-like in shape and readily fits an extended conformation of sesquisabinene and its precursor, the homobisabolyl cation. Structural comparisons of SQS1 with epi -isozizaene synthase mutants that also generate sesquisabinene suggest that [3.1.0] ring formation is not dependent on the isoprenoid tail conformation of the homobisabolyl cation.
Erratum to: 'Potential of the Neutron Lloyd's Mirror Interferometer for the Search for New Interactions'
No abstract prepared.
Kinetic instabilities and turbulence in photonic plasma
The purpose of this proposal was to study the statistical dynamics of plasma and demonstrate it experimentally in all-optical systems. That this was possible followed from (1) a direct mapping between the equations of plasma kinetics and the nonlinear propagation of statistical light and (2) advances in photonic technology, which enabled versatile control of the input conditions and direct imaging of the output fields. At the start of the proposal, theory exploiting the optics plasma relationship was minimal, and few experiments had been performed. By the end, the field of photonic plasma had been firmly established. There were two main themes in the proposal. The first was optical confirmation of existing plasma theory, particularly where competing theories or numerical codes needed to be distinguished. The second was the genesis of new research directions for plasma, both fundamentally and for applications. These arose naturally from the proposed projects, as experiment raises different questions than theory, while optics gives a much different perspective than material science. The photonic analogues also provide a unified language for many issues that are difficult (and expensive) to study directly, such as high-energy laser-plasma interactions. Moreover, basic imaging techniques enable measurements that are difficult, if not impossible, in material plasma. For example, Debye shielding hides internal dynamics from outside detectors while nonlinear interactions must often be inferred by deviations from linear expectations. In contrast, optics allows the creation of a wide range of spatial and spectral distributions, along with high-resolution measurements in the full position-momentum phase space.
Influence of amine-grafted multi-walled carbon nanotubes on physical and rheological properties of PMMA-based nanocomposites
In this work, poly(methyl methacrylate) (PMMA) was grafted onto amine treated multi-walled carbon nanotubes (NH-MWNTs) and the physical and rheological properties of the NH-MWNTs-g-PMMA nanocomposites were investigated. The graft reaction of NH-MWNTs and the PMMA matrix was confirmed from the change of the N{sub 1S} peaks, including those of amine oxygen and amide oxygen, by X-ray photoelectron spectroscopy (XPS). The thermal and mechanical properties of the NH-MWNT-g-PMMA nanocomposites were enhanced by the graft reaction between NH-MWNTs and PMMA matrix. In addition, the viscosity of the nanocomposites was increased with the addition of NH-MWNTs. Storage (G') and loss modulus (G'') were significantly increased by increase in the NH-MWNT content compared to acid-treated MWNTs/PMMA nanocomposites. This increase was attributed to the strong interaction by the grafting reaction between NH-MWNTs and the PMMA matrix. - Graphical abstract: This describes the increase of mechanical properties in NH-MWNTs-g-PMMA hybrid composites with different NH-MWNT contents. Highlights: > Aminized carbon nanotubes are used as reinforcement for poly(methylmethacrylate). > Poly(methylmethacrylate) is grafted on aminized carbon nanotubes by thermal reaction. > Grafting of carbon nanotubes and polymer provide enhanced physical properties. > It was due to the strong interaction between carbon nanotubes and polymer matrix.
On generating functions of higher-spin cubic interactions
We present off-shell generating functions for all cubic interactions of totally symmetric massless Higher-Spin gauge fields and discuss their properties.
Complex higher order derivative theories
In this work is considered a complex scalar field theory with higher order derivative terms and interactions. A procedure is developed to quantize consistently this system avoiding the presence of negative norm states. In order to achieve this goal the original real scalar high order field theory is extended to a complex space attaching a complex total derivative to the theory. Next, by imposing reality conditions the complex theory is mapped to a pair of interacting real scalar field theories without the presence of higher derivative terms.
Generalized and efficient algorithm for computing multipole energies and gradients based on Cartesian tensors
Accurate representation of intermolecular forces has been the central task of classical atomic simulations, known as molecular mechanics. Recent advancements in molecular mechanics models have put forward the explicit representation of permanent and/or induced electric multipole (EMP) moments. The formulas developed so far to calculate EMP interactions tend to have complicated expressions, especially in Cartesian coordinates, which can only be applied to a specific kernel potential function. For example, one needs to develop a new formula each time a new kernel function is encountered. The complication of these formalisms arises from an intriguing and yet obscured mathematical relation between the kernel functions and the gradient operators. Here, I uncover this relation via rigorous derivation and find that the formula to calculate EMP interactions is basically invariant to the potential kernel functions as long as they are of the form f(r), i.e., any Green’s function that depends on inter-particle distance. I provide an algorithm for efficient evaluation of EMP interaction energies, forces, and torques for any kernel f(r) up to any arbitrary rank of EMP moments in Cartesian coordinates. The working equations of this algorithm are essentially the same for any kernel f(r). Recently, a few recursive algorithms were proposed to calculate EMP interactions. Depending on the kernel functions, the algorithm here is about 4–16 times faster than these algorithms in terms of the required number of floating point operations and is much more memory efficient. I show that it is even faster than a theoretically ideal recursion scheme, i.e., one that requires 1 floating point multiplication and 1 addition per recursion step. This algorithm has a compact vector-based expression that is optimal for computer programming. The Cartesian nature of this algorithm makes it fit easily into modern molecular simulation packages as compared with spherical coordinate-based algorithms. A software library based on this algorithm has been implemented in C++11 and has been released.
Preface: The 7th International Workshop on Neutrino-Nucleus Interactions in the Few GeV Region
No abstract prepared.
CO 2 Hydrogenation to Methanol over ZrO 2 -Containing Catalysts: Insights into ZrO 2 Induced Synergy
Catalytic hydrogenation of CO 2 with renewable H 2 to methanol represents a promising pathway for reducing anthropogenic CO 2 emissions. Catalysts play a key role in enhancing both the hydrogenation rate and methanol selectivity. ZrO 2 is a promising catalyst support, promoter and even active species for CO 2 hydrogenation due to its versatile properties and weak hydrophilic character. Over the past decades substantial progress has been made in designing high performance catalysts and understanding the hydrogenation mechanisms over ZrO 2 -supported catalysts. ZrO 2 interacts with metals and/or other oxides and consequently may affect the CO 2 adsorption and activation, enhance the dissociation of H 2 and spillover of atomic hydrogen, change the reaction pathways and/or the binding of key reaction intermediates for further conversion. The synergistic effects induced by ZrO 2 could be achieved by improving the metal dispersion, modifying surface basicity and interacting with other components (metals, cosupports or promoters). However, although experimental and computational investigations have been extensively performed, the multiple roles of ZrO 2 in the catalytic process are still under debate. In the current Perspective, we use ZrO 2 -containing catalysts as a model system to elucidate the governing principles for designing high performance catalysts with multiple active components for CO 2 hydrogenation to methanol.
Low scale left-right symmetry and warm dark matter
We study the scenario which incorporates dark matter in the minimal left-right symmetric theory at the TeV scale. The only viable candidate is found to be the lightest right-handed neutrino with a mass of keV. In order to satisfy the dark matter relic abundance, the relic yield is diluted by late decays of the two heavier neutrinos. We point out that the QCD phase transition temperature coincidences with the typical freeze-out temperature governed by super-weak right-handed interactions. This helps to alleviate the problem of overproduction and a careful numerical study reveals a narrow window for the mass of the right-handed gauge boson, which is within the reach of the LHC.