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At least 163 records · Page 9

Exploitation of Pore Structure for Increased CO 2 Selectivity in Type 3 Porous Liquids

CO 2 capture requires materials with high adsorption selectivity and an industrial ease of implementation. To address these needs, a new class of porous materials was recently developed that combines the fluidity of solvents with the porosity of solids. Type 3 porous liquids (PLs) composed of solvents and metal–organic frameworks (MOFs) offer a promising alternative to current liquid carbon capture methods due to the inherent tunability of the nanoporous MOFs. However, the effects of MOF structural features and solvent properties on CO 2 –MOF interactions within PLs are not well understood. Herein experimental and computational data of CO 2 gas adsorption isotherms were used to elucidate both solvent and pore structure influences on ZIF-based PLs. The roles of the pore structure including solvent size exclusion, structural environment, and MOF porosity on PL CO 2 uptake were examined. A comparison of the pore structure and pore aperture was performed using ZIF-8, ZIF-L, and amorphous-ZIF-8. Adsorption experiments here have verified our previously proposed solvent size design principle for ZIF-based PLs (1.8× ZIF pore aperture). Furthermore, the CO 2 adsorption isotherms of the ZIF-based PLs indicated that judicious selection of the pore environment allows for an increase in CO 2 selectivity greater than expected from the individual PL components or their combination. This nonlinear increase in the CO 2 selectivity is an emergent behavior resulting from the complex mixture of components specific to the ZIF-L + 2'-hydroxyacetophenone-based PL.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Comparison of Skylab and LANDSAT images for geologic mapping in Northern Arizona

The author has identified the following significant results. It was found that based on resolution, the Skylab S190A products were superior to LANDSAT images. Based on measurements of shoreline features in Lake Mead S190A images had 1.5 - 3 times greater resolution than LANDSAT. In general, the higher resolution of the Skylab data yielded better discrimination among rock units, but in the case of structural features, lower sun angle LANDSAT images (50 deg) were superior to higher sun angle Skylab images (77 deg). The most valuable advantage of the Skylab over the LANDSAT image products is the capability of producing stereo images. Field spectral reflectance measurements on the Coconino Plateau were made in an effort to determine the best spectral band for discrimination of the six geologic units in question, and these bands were 1.3, 1.2, 1.0, and 0.5 microns. The EREP multispectral scanner yielded data with a low signal to noise ratio which limited its usefulness for image enhancement work. Sites that were studied in Arizona were Shivwits Plateau, Verde Valley, Coconino Plateau, and Red Lake. Thematic maps produced by the three classification algorithms analyzed were not as accurate as the maps produced by photointerpretation of composites of enhanced images.

Goetz, A. F. H.

Multiscale Studies of the Three-Dimensional Dayside X-Line

We review recent experience from the Cluster, Double Star, and THEMIS missions for lessons that apply to the upcoming Magnetospheric Multiscale Mission (MMS) being developed for launch in 2014. On global scales, simulation and statistical studies lead to mean congurations of dayside reconnection, implying specific relative alignments of the inflow magnetic fields and X-line, with implications for MMS operations designed to maximize the number of close encounters with the diffusion region. At intermediate MHD-to-ion scales, reconstruction of features created by one or two X-lines have developed to the point where data from a cluster of spacecraft can determine their temporal trends and the approximate three-dimensional X-line structure. Recent petascale particle-in-cell (PIC) simulations of reconnection encompass three spatial dimensions with excellent resolution, and make striking predictions of electron scale physics that creates complex interacting flux ropes under component reconnection. High time resolution measurements from MMS will determine the detailed electron scale kinetics embedded within the global and MHDion scale contexts. These developments will lead to the refinement of our three-dimensional multiscale picture of reconnection, yielding improved understanding of the global, MHD, and local physics controlling the onset or quenching, variability, and mean rate of reconnection. This in turn will enable improved predictability of the structural features created by transient reconnection, and their space weather consequences.

Reconnection

Application of multispectral photography to mineral and land resources of South Carolina

The author has identified the following significant results. Good results were obtained from using Skylab photography in conjunction with LANDSAT imagery for visual interpretation of various geologic features, particularly lineaments. It was concluded that visual interpretation alone of Skylab photographs was quite limited, and much of this was because of the low contrast, heavily vegetated terrain in southeastern United States. Lineaments of major structural features are detectable but subtle. An intimate knowledge of the geologic field relationships is needed before a meaningful analysis is feasible using current satellite photography alone.

Olson, N. K.

Nondestructive evaluation by acousto-ultrasonics

Acousto-ultrasonics is an ultrasonic technique that was originally devised to cope with the particular problems associated with nondestructive evaluation (NDE) of fiber/polymer composite structures. The fiber/polymer composites are more attenuating to ultrasound than any other material presently of interest. This limits the applicability of high-frequency ultrasonics. A common use of ultrasound is the imaging of flaws internal to a structure by scattering from the interface with the flaw. However, structural features of composites can scatter ultrasound internally, thus obscuring the flaws. A need relative to composites is to be able to nondestructively measure the strength of laminar boundaries in order to assess the integrity of a structure. Acousto-ultrasonics has exhibited the ability to use the internal scattering to provide information for determining the strength of laminar boundaries. Analysis of acousto-ultrasonic signals by the wave ray paths that compose it leads to waveform partitioning that enhances the sensitivity to mechanical strength parameters.

Kautz, Harold E.

Modeling Effort of TriTruss Modular Structure for In-Space Assembled Telescope Foundational Structure

The TriTruss is a novel and innovative structural module developed by researchers at the NASA Langley Research Center to construct modular structures which can be assembled on-orbit for future persistent missions, including in-space assembled telescopes and platforms for science and communications. The TriTruss offers unique modular structural features including compact packaging for launch, the possibility of staged packaging, simple robotic deployment and assembly, and design versatility for specific space mission applications. This paper presents the modeling and analysis procedure for the TriTruss modular structure and the predicted frequency response of an In-Space Assembled Telescope’s (iSAT) primary reflector.

Structural Modeling

Geological applications of LANDSAT-1 imagery to the Great Salt Lake area

The ERTS program has been designed as a research and development tool to demonstrate that remote sensing from orbital altitudes is a feasible and practical approach to efficient management of earth resources. From this synoptic view and repetitive coverage provided by ERTS imagery of the Great Salt Lake area, large geological and structural features, trends, and patterns have been identified and mapped. A comparative analysis of lineaments observed in September and December data was conducted, existing mineral locations were plotted, and areas considered prospective for mineralization based on apparent structure-mineralization relationships were defined. The additional information obtained using ERTS data provides an added source of information to aid in the development of more effective mineral exploration programs.

Anderson, A. T.

Designing Cyclic Nitrogen‐Bridged Sulfonamides with Anti‐Cancer Activity

The N-bridgehead heterocyclic structure is an abundant motif in a multitude of natural products. This structural feature is of high interest because it is present in many different bioactive molecules, many of which are well-established pharmaceuticals. The introduction of a sulfone group into the N-bridgehead system yields a new core structure containing a N-bridgehead sulfonamide. While linear sulfonamides can be found in natural products, only artificial cyclic sulfonamides are known to date. Applications of related cyclic sulfonamide compounds include matrix metalloproteinase inhibitors, potential HIV and cancer therapeutics, and anti-inflammatory compounds. To explore the potential bioactivity of the N-bridgehead sulfonamide scaffold, a synthetic route toward these scaffolds is developed and their bioactivity is explored against different cancer cell lines.

60 APPLIED LIFE SCIENCES

Analysis of SIR-B radar illumination of geometry for depth of penetration and surface feature and vegetation detection, Nevada and California

The measurement capability provided by the Shuttle Imaging Radar (SIR-B) was used to determine: (1) the relationships between radar illumination geometry and depth of penetration in different climatic and physiographic environments in Nevada; and, (2) the relationships between radar illumination geometry and detection and analysis of structural features in different climatic and physiographic environments in Nevada.

Taranik, J. V.

Structural Insights into the Dynamics of Water in SOD1 Catalysis and Drug Interactions

Superoxide dismutase 1 (SOD1) is a crucial enzyme that protects cells from oxidative damage by converting superoxide radicals into H 2 O 2 and O 2 . This detoxification process, essential for cellular homeostasis, relies on a precisely orchestrated catalytic mechanism involving the copper cation, while the zinc cation contributes to the structural integrity of the enzyme. This study presents the 2.3 Å crystal structure of human SOD1 (PDB ID: 9IYK), revealing an assembly of six homodimers and twelve distinct active sites. The water molecules form a complex hydrogen-bonding network that drives proton transfer and sustains active site dynamics. Our structure also uncovers subtle conformational changes that highlight the intrinsic flexibility of SOD1, which is essential for its function. Additionally, we observe how these dynamic structural features may be linked to pathological mutations associated with amyotrophic lateral sclerosis (ALS). By advancing our understanding of hSOD1’s mechanistic intricacies and the influence of water coordination, this study offers valuable insights for developing therapeutic strategies targeting ALS. Our structure’s unique conformations and active site interactions illuminate new facets of hSOD1 function, underscoring the critical role of structural dynamics in enzyme catalysis. Moreover, we conducted a molecular docking analysis using SOD1 for potential radical scavengers and Abelson non-receptor tyrosine kinase (c-Abl, Abl1) inhibitors targeting misfolded SOD1 aggregation along with oxidative stress and apoptosis, respectively. The results showed that CHEMBL1075867, a free radical scavenger derivative, showed the most promising docking results and interactions at the binding site of hSOD1, highlighting its promising role for further studies against SOD1-mediated ALS.

60 APPLIED LIFE SCIENCES

Understanding the Hydronium Cation in the Solid State: A Study in Synthetic Hydronium Uranyl Phosphate and Arsenate Mineral Systems and Their Irradiation Stability

Here, we present neutron diffraction, electronic structure calculations, and optical vibrational spectroscopic characterization of hydronium uranyl phosphate (HUP), the synthetic analog of chernikovite ((H 3 O)(UO 2 )(PO 4 )·3H 2 O) to gain insight into structural features of the hydronium cation in the solid state. HUP crystallizes in P2 1 /c instead of previously reported P4/ncc 1 at room temperature and Pccn below 302 K. Lower symmetry was required due to hydronium and interstitial water positions within the structure. Crystallographic positions of hydronium cations determined from powder neutron diffraction data are bolstered by Raman and attenuated total reflectance infrared spectroscopic measurements and are further informed by density functional theory with phonon eigenvector analysis for spectral assignments. Finally, HUP and its arsenate analog (trogerite, (H 3 O)(UO 2 )(AsO 4 )·3H 2 O), (HUAs) were studied using He 2+ irradiation as an analog for α radiolysis to investigate the irradiation stability of these phases and the stability of hydronium cations in the solid state. Dose studies were employed wherein each sample was irradiated to 5, 10, 15, 25, and 50 MGy. Structural insight regarding irradiated materials is gained using optical vibrational spectroscopy and powder X-ray diffraction. Surprising irradiation stability of HUAs was found up to 50 MGy of dose, which may have important implications for understanding and modeling the geologic stability of legacy U.

actinides

Tuning the Coordination Environment of Rh Single Atoms on Highly Dispersed Reducible Oxides for Enhanced Reverse Water-Gas Shift Performance

Controlling the dynamic mobility of catalyst surface active sites and their interactions with the surrounding environment is critical in generating active surfaces that directly influence the catalytic activity and selectivity. Here, we report a strategy for tailoring the dispersion and electronic environment of single atom Rh catalysts by decorating the alumina support with highly dispersed (HD) cerium and molybdenum oxides. The resulting catalysts exhibit markedly different behavior in the Reverse Water Gas Shift (RWGS) reaction. In particular, Rh/MoOx(HD)/Al2O3 maintains atomically dispersed Rh even at elevated temperatures (up to 400 °C), achieving CO selectivity of up to 100% and resists sintering via the formation of a newly developed structure featuring Rh single atoms embedded in MoOx clusters. In situ spectroscopy and microscopy analyses confirm the stabilization of Rh and the dynamic evolution of Rh–Mo coordination under reaction conditions. Our findings highlight the power of support modification in steering active site structure and activity, offering a pathway toward enhanced and tunable single atom catalysts for CO2 valorization.

CO selectivity

What are grana in chloroplasts of vascular plants good for?

All plants and green algae contain stacked grana thylakoid membranes in their chloroplasts, underscoring an evolutionary pressure to maintain this unique structural feature. In addition, numerous studies have demonstrated that particular lateral and vertical dimensions of grana facilitate the function, regulation and repair of the photosynthetic machinery responsible for energy conversion. In this review, we present an updated overview of our understanding concerning the structure of grana thylakoids, the forces that contribute to their formation and their architectural dynamics. After establishing the structural foundation, we continue by reviewing the implications of grana formation on light harvesting, electron transport and protein maintenance in the thylakoid membranes of vascular plants. Regarding light harvesting, we discuss the implications of grana formation on energy spillover, macromolecular crowding, lateral versus vertical excitation energy transfer, and state transition. With respect to electron transport, we summarize recent findings regarding the functional connectivity of spatially separated photosystems facilitated by grana formation through small mobile electron carriers. We also explore how the dynamic responses of grana architecture regulate electron transport. Finally, we address how grana formation contributes to the organization of protein repair and biogenesis within thylakoid membranes.

59 BASIC BIOLOGICAL SCIENCES

Exceptional Electrical Detection of Trace NO 2 via Mixed Metal MOF-on-MOF Film-Based Sensors

The tunability of metal–organic frameworks (MOFs) makes them exceptional materials for the development of highly selective, low-power sensors for toxic gas detection. Herein, we demonstrate enhanced detection of NO 2 gas by a MOF-based electrical impedance sensor made using a unique mixed metal MOF-on-MOF synthesis. For this work, a combined experimental and computational study was performed using the exemplar Ni x Mg 1–x -MOF-74 to understand the fundamental structure–property relationships behind metal mixing and MOF film synthesis methods on sensor performance. Density functional theory results indicated that the presence of Ni in Mg-MOF-74 increased framework stability and increased the electron density of states at lower energies near the HOMO, as well as enhanced the NO 2 –Mg adsorption interaction. Impedance data of the Ni x Mg 1–x -MOF-74 films with larger Ni contents showed greater impedance change after exposure to 1 ppm of NO 2 gas. Furthermore, when synthesized through either a drop-cast or direct solvothermal film growth approach, the monometallic Ni-based sensors had the best performance. However, the mixed metal Ni x Mg 1–x -MOF-74 sensors synthesized through a MOF-on-MOF approach resulted in the highest impedance change, outperforming all monometallic Ni-based sensors. In particular, the mixed metal Ni-on-Mg-MOF-74 film was the best-performing sensor with an impedance change of 309 upon trace NO 2 exposure. Change in impedance response after NO 2 exposure was improved by 52% compared to the best monometallic Ni-on-Ni-MOF-74 sensor. Structural analysis of the Ni-on-Mg film showed that the first Mg-MOF-74 layer acts as a structural template controlling the structural features of the final film after metal exchange with Ni. This led to improved film quality, evidenced by the greater crystallinity and larger MOF grain sizes, and resulted in enhanced sensor performance which was not achievable through other metal mixing methods. Altogether, this study identifies structure–property relationships and synthetic templating methods that inform MOF-based sensor design, allowing for improved detection of toxic compounds.

36 MATERIALS SCIENCE

A macroscopic profile of the typical quasi-perpendicular bow shock - Isee 1 and 2

A macroscopic examination of field and particle properties of the bow shock recorded on November 5, 1977, identified earlier as stable features by comparison of Isee 1 and 2 data, is presented. Attention is given to the extent to which the shock was in a typical state, and multidiagnostic observations are combined to define the shock profile. It is found that the shock profile offered several unanticipated structural features, which include a variable directional profile of the reflected proton group passing through the front, an electrostatic boundary effect associated with the reflected protons upstream, and an oscillatory buildup of proton thermalization behind the overshoot portion of the shock signature.

Greenstadt, E. W.

HCMM imagery for the discrimination of rock types, the detection of geothermal energy sources and the assessment of soil moisture content in western Queensland and adjacent parts of New South Wales and South Australia

The author has identified the following significant results. Day-visible and day-IR imagery of northwest Queensland show that large scale geological features like the Mitakoodi anticlinorium, which involves rocks of contrasting lithological type, can be delineated. North of Cloncurry, the contrasting lithological units of the Knapdale quartzite and bedded argillaceous limestones within the Proterozoic Corella sequence are clearly delineated in the area of the Dugald River Lode. Major structural features in the Mount Isa area are revealed on the day-visible cover. Which provides similar but less detailed information than the LANDSAT imagery. The day-IR cover provides less additional information for areas of outcropping bedrock than had been expected. Initial studies of the day-IR and night-IR cover for parts of South Australia suggest that they contain additional information on geology compared with day-visible cover.

Cole, M. M.

Application of MAC-Europe AVIRIS data to the analysis of various alteration stages in the Landdmannalauger Hydrothermal Area (South Iceland)

In June 1991 extensive airborne remote sensing data-sets have been acquired over Iceland in the framework of the joint NASA/ESA Multisensor Airborne Campaign Europe (MAC-Europe). The study area is located within the Torfajokull central volcanic complex in South Iceland. This complex is composed by anomalously abundant rhyolitic acid volcanics, which underwent intensive hydrothermal alteration. Detailed studies of surface alteration of rhyolitic rocks in the area showed that all the major elements are leached as the rock is affected by complex mineralogical changes. Montmorillonite appears during the earliest stages of alteration. In the ultimate alteration product montmorillonite is absent and the rock consists mostly of amorphous silica, anatase, up to a volume of 50% kaolinite and variable amounts of native sulphur and pyrite. The case study presented shall endeavor to assess the potential of MAC-Europe AVIRIS and TMS data in determining a possible zonation of hydrothermal alteration in relationship to the active geo-thermal fields and structural features. To this end, the airborne data is analysed in comparison with laboratory spectral measurements of characteristics rock, soil, and vegetation samples collected in the study areaduring the summer of 1992. Various spectral mapping algorithms as well as unmixing approaches are tested and evaluated. Detailed geological and structural mapping as well as geochemical analysis of the main rock and soil types were performed to underpin the analysis of the airborne data.

Sommer, S.

Assessing impacts of canopy 3D structure on chlorophyll fluorescence radiance and radiative budget of deciduous forest stands using DART

Although remote sensing (RS) of solar-induced chlorophyll fluorescence (SIF) is increasingly used as a valuable source of information about vegetation photosynthetic activity, the RS SIF observations are significantly influenced by canopy-specific structural features (i.e., canopy architecture including leaf area index and presence of woody components), atmospheric conditions during their acquisition (e.g., proportion of direct and diffuse irradiance) and observational geometric configurations (e.g., sun and viewing directions). Radiative transfer (RT) models have the potential to provide a better understanding of the canopy structural effects on the SIF emission and RS signals. Here, we used the DART model to assess the daily influence, from morning to evening, of forest 3D architecture on SIF nadir radiance, emission, escape factor and nadir yield of eight 100 m × 100 m forest study plots established in a temperate deciduous forest of the Smithsonian Environmental Research Center (Edgewater, MD, USA). The 3D architecture of each plot was derived from airborne LiDAR. DART simulations of these 3D forest plots and their 1D (i.e., vertical profile of sun-adapted and shade-adapted leaves) and 0D (i.e., homogeneous layer of sun-adapted leaves above an homogeneous layer of shade-adapted leaves) abstractions were compared to assess the relative errors (ε1D−3D and ε0D−3D) associated with horizontal and vertical structural heterogeneity, respectively. Forest 3D structure, especially horizontal heterogeneity, had a great influence on forest nadir SIF radiance, resulting in ε1D−3D up to 55% at 8:00 and 18:00 (i.e., for oblique sun directions). The key indicators of this impact, in the descending order of importance, were the SIF escape factor (ε1D−3D up to 40%), the attenuation of incident photosynthetically active radiation (ε1D−3D less than 5%), and the SIF emission yield (ε1D−3D less than 2%). The influence of forest architecture on the nadir SIF escape factor and SIF yield (ε1D−3D up to 40%) varied over time, with differences in forest stand structure, and per spectral domain, being always larger between 640 and 700 nm than between 700 and 850 nm. In addition, woody elements demonstrated a large influence on forest SIF radiance due to their “shading” effect (ε up to 17%) and their “blocking” effect (ε ≈ 10%), both of them higher for far-red than for red SIF. These results underline the importance of 3D forest canopy architecture, especially 2D heterogeneity, and inclusion of woody elements in RT modeling used for interpretation of the RS SIF signal, and subsequently for the estimation of gross primary production and detection of vegetation stress.

Omar Regaieg