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At least 73 records · Page 4

Whole-cell biocomputing

The ability to manipulate systems on the molecular scale naturally leads to speculation about the rational design of molecular-scale machines. Cells might be the ultimate molecular-scale machines and our ability to engineer them is relatively advanced when compared with our ability to control the synthesis and direct the assembly of man-made materials. Indeed, engineered whole cells deployed in biosensors can be considered one of the practical successes of molecular-scale devices. However, these devices explore only a small portion of cellular functionality. Individual cells or self-organized groups of cells perform extremely complex functions that include sensing, communication, navigation, cooperation and even fabrication of synthetic nanoscopic materials. In natural systems, these capabilities are controlled by complex genetic regulatory circuits, which are only partially understood and not readily accessible for use in engineered systems. Here, we focus on efforts to mimic the functionality of man-made information-processing systems within whole cells.

Non-NASA Center↗

Programs for Testing Processor-in-Memory Computing Systems

The Multithreaded Microbenchmarks for Processor-In-Memory (PIM) Compilers, Simulators, and Hardware are computer programs arranged in a series for use in testing the performances of PIM computing systems, including compilers, simulators, and hardware. The programs at the beginning of the series test basic functionality; the programs at subsequent positions in the series test increasingly complex functionality. The programs are intended to be used while designing a PIM system, and can be used to verify that compilers, simulators, and hardware work correctly. The programs can also be used to enable designers of these system components to examine tradeoffs in implementation. Finally, these programs can be run on non-PIM hardware (either single-threaded or multithreaded) using the POSIX pthreads standard to verify that the benchmarks themselves operate correctly. [POSIX (Portable Operating System Interface for UNIX) is a set of standards that define how programs and operating systems interact with each other. pthreads is a library of pre-emptive thread routines that comply with one of the POSIX standards.]

Katz, Daniel S.↗

Mechanosensitive channels in bacteria as membrane tension reporters

The purpose of this short review is to discuss recent data on the molecular structure and mechanism of gating of MscL, a mechanosensitive channel of large conductance from Escherichia coli. MscL is the first isolated molecule shown to convert mechanical stress of the membrane into a simple response, the opening of a large aqueous pore. The functional complex appears to be a stable homo-pentamer of 15-kDa subunits, the gating transitions in which are driven by stretch forces conveyed through the lipid bilayer. We have measured the open probability of MscL and the kinetics of transitions as a function of membrane tension. The parameters extracted from the single-channel current recordings and dose-response curves such as the energy difference between the closed, open, and intermediate conducting states, and the transition-related changes in protein dimensions suggest a large conformational rearrangement of the channel complex. The estimations show that in native conditions MscL openings could be driven primarily by forces of osmotic nature. The thermodynamic and spatial parameters reasonably correlate with the available data on the structure of a single MscL subunit and multimeric organization of the complex. Combined with the functional analysis of mutations, these data give grounds to hypotheses on the nature of the channel mechanosensitivity.

Review↗

Exploring the Connection Between Sampling Problems in Bayesian Inference and Statistical Mechanics

The Bayesian and statistical mechanical communities often share the same objective in their work - estimating and integrating probability distribution functions (pdfs) describing stochastic systems, models or processes. Frequently, these pdfs are complex functions of random variables exhibiting multiple, well separated local minima. Conventional strategies for sampling such pdfs are inefficient, sometimes leading to an apparent non-ergodic behavior. Several recently developed techniques for handling this problem have been successfully applied in statistical mechanics. In the multicanonical and Wang-Landau Monte Carlo (MC) methods, the correct pdfs are recovered from uniform sampling of the parameter space by iteratively establishing proper weighting factors connecting these distributions. Trivial generalizations allow for sampling from any chosen pdf. The closely related transition matrix method relies on estimating transition probabilities between different states. All these methods proved to generate estimates of pdfs with high statistical accuracy. In another MC technique, parallel tempering, several random walks, each corresponding to a different value of a parameter (e.g. "temperature"), are generated and occasionally exchanged using the Metropolis criterion. This method can be considered as a statistically correct version of simulated annealing. An alternative approach is to represent the set of independent variables as a Hamiltonian system. Considerab!e progress has been made in understanding how to ensure that the system obeys the equipartition theorem or, equivalently, that coupling between the variables is correctly described. Then a host of techniques developed for dynamical systems can be used. Among them, probably the most powerful is the Adaptive Biasing Force method, in which thermodynamic integration and biased sampling are combined to yield very efficient estimates of pdfs. The third class of methods deals with transitions between states described by rate constants. These problems are isomorphic with chemical kinetics problems. Recently, several efficient techniques for this purpose have been developed based on the approach originally proposed by Gillespie. Although the utility of the techniques mentioned above for Bayesian problems has not been determined, further research along these lines is warranted

Pohorille, Andrew↗

Cilia-enriched oxysterol 7β,27-DHC is required for polycystin ion channel activation

Polycystin-1 (PC-1) and PC-2 form a heteromeric ion channel complex that is abundantly expressed in primary cilia of renal epithelial cells. This complex functions as a non-selective cation channel, and mutations within the polycystin complex cause autosomal dominant polycystic kidney disease (ADPKD). The spatial and temporal regulation of the polycystin complex within the ciliary membrane remains poorly understood. Using both whole-cell and ciliary patch-clamp recordings, we identify a cilia-enriched oxysterol, 7β,27-dihydroxycholesterol (DHC), that serves as a necessary activator of the polycystin complex. We further identify an oxysterol-binding pocket within PC-2 and showed that mutations within this binding pocket disrupt 7β,27-DHC–dependent polycystin activation. Pharmacologic and genetic inhibition of oxysterol synthesis reduces channel activity in primary cilia. In summary, our findings reveal a regulator of the polycystin complex. This oxysterol-binding pocket in PC-2 may provide a specific target for potential ADPKD therapeutics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Is the ATPase from halobacterium saccharovorum an evolutionary relic?

The ATP Synthase Complex present in the membranes of mitochondria, chloroplasts or bacteria is composed of 2 sectors: FO, an integral membrane protein consisting of 3 subunits mediating proton translocation across the membrane and F1, the catalytic component composed of 5 non-identical subunits. The apparent early origin of the ATP Synthase Complex, as implied by its ubiquitous distribution, seems inconsistent with its structural and functional complexity and raises the question if simpler versions of the ATP Synthase exist. Such an ATP Synthase has been searched for in various Archaebacteria. A purified halobacterial ATPase activity which possesses certain properties consistent with those of an ATP Synthase but which has a different subunit structure is described.

Hochstein, L. I.↗

Models and Algorithms for Equilibrium Analysis of Mixed-Material Nucleic Acid Systems

Dynamic programming algorithms within the NUPACK software suite enable analysis of equilibrium base-pairing properties for complex and test tube ensembles containing arbitrary numbers of interacting nucleic acid strands. Currently, calculations are limited to single-material systems that are either all-RNA or all-DNA. Here, to enable analysis of mixed-material systems that are critical for modern applications in vitro, in situ, and in vivo, we develop physical models and dynamic programming algorithms that allow the material of the system to be specified at nucleotide resolution. Free energy parameter sets are constructed for both RNA/DNA and RNA/2'OMe-RNA mixed-material systems by combining available empirical mixed-material parameters with single-material parameter sets to enable treatment of the full complex and test tube ensembles. New dynamic programming recursions account for the material of each nucleotide throughout the recursive process. For a complex with N nucleotides, the mixed-material dynamic programming algorithms maintain the O(N 3 ) time complexity of the single-material algorithms, enabling efficient calculation of diverse physical quantities over complex and test tube ensembles (e.g., complex partition function, equilibrium complex concentrations, equilibrium base-pairing probabilities, minimum free energy secondary structure(s), and Boltzmann-sampled secondary structures) at a cost increase of roughly 2.0-3.5×. The results of existing single-material algorithms are exactly reproduced when applying the new mixed-material algorithms to single-material systems. Accuracy is significantly enhanced using mixed-material models and algorithms to predict RNA/DNA and RNA/2'OMe-RNA duplex melting temperatures from the experimental literature as well as RNA/DNA melt profiles from new experiments. In conclusion, mixed-material analyses can be performed online using the NUPACK web app (www.nupack.org) or locally using the NUPACK Python module.

2′OMe-RNA↗

On the performance of infrared sensors in earth observations

The performance of infrared sensing systems is dependent upon the radiative properties of targets in addition to constraints imposed by system components. The unclassified state-of-the-art of infrared system performance figures is reviewed to indicate the relevance to system performance of target radiative properties. A theory of rough surface scattering is developed which allows the formulation of the reflective characteristics of extended targets. The thermal radiation emission from extended targets is formulated on the basis of internal radiation characteristics of natural materials and the transmissive scattering effects at the surface. Finally, the total radiative characteristics may be expressed as functions of material properties and incident and received directions, although the expressions are extremely complex functions and do not account for the effects of shadowing or multiple scattering. It is believed that the theory may be extended to include these effects and to incorporate the local radii of curvature of the surface.

Johnson, L. F.↗

International Ultraviolet Explorer Observatory operations

This volume contains the final report for the International Ultraviolet Explorer IUE Observatory Operations contract. The fundamental operational objective of the International Ultraviolet Explorer (IUE) program is to translate competitively selected observing programs into IUE observations, to reduce these observations into meaningful scientific data, and then to present these data to the Guest Observer in a form amenable to the pursuit of scientific research. The IUE Observatory is the key to this objective since it is the central control and support facility for all science operations functions within the IUE Project. In carrying out the operation of this facility, a number of complex functions were provided beginning with telescope scheduling and operation, proceeding to data processing, and ending with data distribution and scientific data analysis. In support of these critical-path functions, a number of other significant activities were also provided, including scientific instrument calibration, systems analysis, and software support. Routine activities have been summarized briefly whenever possible.

Source record↗

Evaluation and selection of assembly plans

Two criteria are introduced for the evaluation and selection of assembly plans. The first criterion is to maximize the number of different sequences encompassed by the assembly plan. The second criterion is to maximize the amount of parallelism (i.e., simultaneity) that is possible in the execution of the assembly tasks. While the metrics corresponding to the criteria used in previous work can be expressed as a sum of terms, each being a function of a task or a state, the metrics corresponding to the criteria introduced are more complex functions of the whole assembly plan. An algorithm that performs a heuristic search for the best assembly plan over the AND/OR graph representation of assembly plans introduced in previous work is presented. Admissible heuristics for each of the two criteria are presented.

Homem De Mello, L. S.↗

Full complex amplitude control of second-harmonic generation via electrically tunable intersubband polaritonic metasurfaces

Nonlinear intersubband polaritonic metasurfaces based on coupling of the intersubband nonlinear optical response of quantum-engineered semiconductor heterostructures and electromagnetic modes of nanoresonators provide efficient frequency mixing with moderate pump intensities. The resonant nonlinear optical response, represented as a complex function, can be modulated via Stark tuning of intersubband transition energies under applied voltages. However, achieving full complex amplitude control (both phase and magnitude) remains challenging. In this work, we present and experimentally validate electrically tunable nonlinear intersubband polaritonic metasurfaces that achieve complete complex amplitude control for second-harmonic generation (SHG). Through a design featuring two in-plane flipped meta-atoms per unit cell, we achieve complete electrical control of both the amplitude and phase of the metasurface second-order nonlinear susceptibility, with a tuning range of 0 to 30 nm V −1 for the magnitude and 0-2π for the phase of the nonlinear optical response. Using these properties, we achieve complete on-off SHG modulation and beam diffraction tuning through electrically controlled amplitude and phase gratings.

Science & Technology - Other Topics↗

Perseverance Rover’s Robotic Arm and Turret Mounted Instruments’ Surface Commissioning

The Robotic Arm (RA) on the Perseverance rover is an integral component of the Sampling and Caching System necessary for completing the science goals of the Mars 2020 mission. While the Perseverance rover was based on the Curiosity rover which landed in 2012, the Robotic Arm was redesigned to carry a much larger turret with a new suite of payloads. Shortly after Perseverance landed in Jezero Crater, a series of checkouts was completed with the RA during the first 100 sols of the mission in order to ensure proper functionality of the RA and the instruments mounted on the turret. This period of time in the mission was called Surface Operations Transition (SOX). The objective of SOX was to systematically execute checkout activities for all the basic functionality so that the RA and instruments, as well as other rover components, could be released for scientific exploration.RA activities during SOX can be divided into a few different categories: Mechanism Checkouts, Rover Visual Inspections, Performance Characterization, and Instrument Functional Checkouts. Many of these checkouts built off of each other such that each subsequent activity would verify incrementally complex functionality. Many of the defined activities were executed several times throughout the development of the rover and served as a check that the RA’s performance is consistent with testing on Earth. Other activities were developed uniquely for SOX to respond to challenges discovered during development. They were designed to be verifiable without the help of ground support equipment or previous executions on the flight hardware to compare against.This paper discusses the formulation and conception of the various RA SOX checkout activities, verification and testing required to certify them for flight, execution of the activities on Mars, issues encountered, and finally results and findings as the mission transitioned to nominal science operations. We will be presenting the results and analysis using downlinked imaging and data from the flight vehicle to show how we verified the performance of the Robotic Arm and the turret mounted instruments in order to transition to science operations with a clean bill of health.

Edgett, Kenneth↗

An active role of the amyloplasts and nuclei of root statocytes in graviperception

Three main phases are discerned in the gravitropic reaction: perception of a gravitational stimulus, its transduction, and fixation of the reaction resulting in bending of an organ. According to the starch-statolith hypothesis of Nemec and Haberlandt, amyloplasts in the structurally and functionally specialized graviperceptive cells (statocytes) sediment in the direction of a gravitational vector in the distal part of a cell while a nucleus is in the proximal one. If amyloplasts appear to act as gravity sensors, the receptors, which interact with sedimented amyloplasts, and next signaling are still unclear. An analysis of the structural-functional organization of cells in different root cap layers of such higher plants as pea, Arabidopsis thaliana, and Brassica rapa grown under 1 g, on the clinostats, and in microgravity, allows us to support the hypothesis that amyloplasts function as statoliths in statocytes, but they may not be only the passive statolithic mass. We propose that amyloplasts fulfill a more complex function by interacting with a receptor, which is a nucleus, in transduction of some signal to it. Gravity-induced statolith movement in certain order leads to a new functional connection between gravity susceptors--amyloplasts and a receptor--a nucleus receiving some signal presumedly of a mechanical or biochemical nature from the amyloplasts. During gravitropism, sugar signaling could induce expression of genes encoding auxin transport proteins in a nucleus giving the nucleus an intermediate role in signal trunsduction following perception. c 2001 COSPAR. Published by Elsevier Science Ltd. All rights reserved.

short duration↗

Real-Time Adaptive Color Segmentation by Neural Networks

Artificial neural networks that would utilize the cascade error projection (CEP) algorithm have been proposed as means of autonomous, real-time, adaptive color segmentation of images that change with time. In the original intended application, such a neural network would be used to analyze digitized color video images of terrain on a remote planet as viewed from an uninhabited spacecraft approaching the planet. During descent toward the surface of the planet, information on the segmentation of the images into differently colored areas would be updated adaptively in real time to capture changes in contrast, brightness, and resolution, all in an effort to identify a safe and scientifically productive landing site and provide control feedback to steer the spacecraft toward that site. Potential terrestrial applications include monitoring images of crops to detect insect invasions and monitoring of buildings and other facilities to detect intruders. The CEP algorithm is reliable and is well suited to implementation in very-large-scale integrated (VLSI) circuitry. It was chosen over other neural-network learning algorithms because it is better suited to realtime learning: It provides a self-evolving neural-network structure, requires fewer iterations to converge and is more tolerant to low resolution (that is, fewer bits) in the quantization of neural-network synaptic weights. Consequently, a CEP neural network learns relatively quickly, and the circuitry needed to implement it is relatively simple. Like other neural networks, a CEP neural network includes an input layer, hidden units, and output units (see figure). As in other neural networks, a CEP network is presented with a succession of input training patterns, giving rise to a set of outputs that are compared with the desired outputs. Also as in other neural networks, the synaptic weights are updated iteratively in an effort to bring the outputs closer to target values. A distinctive feature of the CEP neural network and algorithm is that each update of synaptic weights takes place in conjunction with the addition of another hidden unit, which then remains in place as still other hidden units are added on subsequent iterations. For a given training pattern, the synaptic weight between (1) the inputs and the previously added hidden units and (2) the newly added hidden unit is updated by an amount proportional to the partial derivative of a quadratic error function with respect to the synaptic weight. The synaptic weight between the newly added hidden unit and each output unit is given by a more complex function that involves the errors between the outputs and their target values, the transfer functions (hyperbolic tangents) of the neural units, and the derivatives of the transfer functions.

Duong, Tuan A.↗

The Phoenix TECP Relative Humidity Sensor: Revised Results

The original calibration function of the RH sensor on the Phoenix mission's Thermal and Electrical Conductivity Sensor (TECP), has been revised to correct the erroneously-published original calibration equation, to demonstrate the value of this unique data set, and to improve characterization of H2O exchange between the martian regolith and atmosphere. TECP returned two data streams, the temperature of the electronics analog board (Tb) and the digital 12-bit output of the RH sensor (DN), both of which are required to uniquely specify the H2O abundance. Because the original flight instrument calibration was performed against a pair of hygrometers that measured frost point (Tf), the revised calibration equation is also cast in terms of frost point. The choice of functional form for the calibration function is minimally constrained. A series of profiles across the calibration data cloud at constant DN and Tb does not reveal any evidence of a complex functional form. Therefore, a series of polynomials in both DN and Tb was investigated, along with several non-linear functions of DN and Tb.

Phoenix mission↗

Physically Informed Machine Learning Prediction of Electronic Density of States

The electronic structure of a material, such as its density of states (DOS), provides key insights into its physical and functional properties and serves as a valuable source of high-quality features for many materials screening and discovery workflows. Still, the computational cost of calculating the DOS, most commonly with density functional theory (DFT), becomes prohibitive for meeting high-fidelity or high-throughput requirements, necessitating a cheaper but sufficiently accurate surrogate. To fulfill this demand, we develop a general machine learning method based on graph neural networks for predicting the DOS purely from atomic positions, six orders of magnitude faster than DFT. This approach can effectively use large materials databases and be applied generally across the entire periodic table to materials classes of arbitrary compositional and structural diversity. We furthermore devise a highly adaptable scheme for physically informed learning which encourages the DOS prediction to favor physically reasonable solutions defined by any set of desired constraints. This functionality provides a means for ensuring that the predicted DOS is reliable enough to be used as an input to downstream materials screening workflows to predict more complex functional properties, which rely on accurate physical features.

36 MATERIALS SCIENCE↗

Iodate Reduction by Shewanella oneidensis Requires Genes Encoding an Extracellular Dimethylsulfoxide Reductase

Microbial iodate (IO 3 – ) reduction is a major component of the iodine biogeochemical reaction network in anaerobic marine basins and radioactive iodine-contaminated subsurface environments. Alternative iodine remediation technologies include microbial reduction of IO 3 – to iodide (I – ) and microbial methylation of I – to volatile gases. The metal reduction pathway is required for anaerobic IO 3 – respiration by the gammaproteobacterium Shewanella oneidensis . However, the terminal IO 3 – reductase and additional enzymes involved in the S. oneidensis IO 3 – electron transport chain have not yet been identified. In this study, gene deletion mutants deficient in four extracellular electron conduits (EECs; Δ mtrA , Δ mtrA -Δ mtrDEF , Δ mtrA -Δ dmsEF , Δ mtr A-ΔSO4360) and DMSO reductase (Δ dmsB ) of S. oneidensis were constructed and examined for anaerobic IO 3 – reduction activity with either 20 mM lactate or formate as an electron donor. IO 3 – reduction rate experiments were conducted under anaerobic conditions in defined minimal medium amended with 250 μM IO 3 – as anaerobic electron acceptor. Only the Δ mtrA mutant displayed a severe deficiency in IO 3 – reduction activity with lactate as the electron donor, which suggested that the EEC-associated decaheme cytochrome was required for lactate-dependent IO 3 – reduction. The Δ mtrA -Δ dmsEF triple mutant displayed a severe deficiency in IO 3 – reduction activity with formate as the electron donor, whereas Δ mtrA -Δ mtrDEF and Δ mtr A-ΔSO4360 retained moderate IO 3 – reduction activity, which suggested that the EEC-associated dimethylsulfoxide (DMSO) reductase membrane-spanning protein DmsE, but not MtrA, was required for formate-dependent IO 3 – reduction. Furthermore, gene deletion mutant Δ dmsB (deficient in the extracellular terminal DMSO reductase protein DmsB) and wild-type cells grown with tungsten replacing molybdenum (a required co-factor for DmsA catalytic activity) in defined growth medium were unable to reduce IO 3 – with either lactate or formate as the electron donor, which indicated that the DmsAB complex functions as an extracellular IO 3 – terminal reductase for both electron donors. Results of this study provide complementary genetic and phenotypic evidence that the extracellular DMSO reductase complex DmsAB of S. oneidensis displays broad substrate specificity and reduces IO 3 – as an alternate terminal electron acceptor.

, Shewanella oneidensis↗