Probing the structure–property relationships of supported copper oxide nanoclusters for methane activation
Amorphous metal-oxide nanoclusters are investigated using DFT and machine learning for selective oxidation of methane.
Wang, Xijun↗
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Results for “activity relationship”
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Future monitoring of charged particle energy deposition into the upper atmosphere and comments on possible relationships between atmospheric phenomena and solar and/or geomagnetic activity
The charged particle observations proposed for the new low altitude weather satellites, TIROS-N, are described that will provide the capability of routine monitoring of the instantaneous total energy deposition into the upper atmosphere by the precipitation of charged particles from higher altitudes. Estimates are given to assess the potential importance of this type of energy deposition. Discussion and examples are presented illustrating the importance in distinguishing between solar and geomagnetic activity as possible causative sources.
Williams, D. J.↗
The observed relationships between some solar rotation parameters and the activity cycle
Several parameters of the solar rotation show variations which appear to relate to the phase of the solar-activity cycle. The latitude gradient of the differential rotation, as seen in the coefficients of the sin2 and sin4 terms in the latitude expansion, shows marked variations with the cycle. One of these variations may be described as a one-cycle-per-hemisphere torsional oscillation with a period of 11 years, where the high latitudes rotate faster at solar-activity maximum and slower at minimum, and the low latitudes rotate faster at solar-activity minimum and slower at maximum. Another variation is a periodic oscillation of the fractional difference in the low-latitude rotation between north and south hemispheres. The possibility of a variation in the absolute rotational velocity of the sun in phase with the solar cycle remains an open question. The two-cycle-per-hemisphere torsional waves in the solar rotation also represent an aspect of the rotation which varies with the cycle. It is shown that the amplitude of the fast flowing zone rises a year before the rise to activity maximum. The fast zone seems to be physically the more significant of the two zones.
Howard, R.↗
On the statistics of El Nino occurrences and the relationship of El Nino to volcanic and solar/geomagnetic activity
El Nino is conventionally defined as an anomalous and persistent warming of the waters off the coasts of Ecuador and Peru in the eastern equatorial Pacific, having onset usually in Southern Hemispheric summer/fall. Some of the statistical aspects of El Nino occurrences are examined, especially as they relate to the normal distribution and to possible associations with volcanic, solar, and geomagnetic activity. With regard to the very strong El Nino of 1982 to 1983, it is noted that, although it may very well be related to the 1982 eruptions of El Chichon, the event occurred essentially on time (with respect to the past behavior of elapsed times between successive El Nino events; a moderate-to-stronger El Nino was expected during the interval 1978 to 1982, assuming that El Nino occurrences are normally distributed, having a mean elapsed time between successive onsets of 4 years and a standard deviation of 2 years and a last known occurrence in 1976). Also, although not widely recognized, the whole of 1982 was a record year for geomagnetic activity (based on the aa geomagnetic index, with the aa index registering an all time high in February 1982), perhaps, important for determining a possible trigger for this and other El Nino events. A major feature is an extensive bibliography (325 entries) on El Nino and volcanic-solar-geomagnetic effects on climate. Also, included is a tabular listing of the 94 major volcanic eruptions of 1835 to 1986.
Wilson, Robert M.↗
On the Relationship of Interplanetary Pressure Pulses and Subsequent Auroral Activity
The relation between interplanetary pressure pulses and subsequent auroral breakup is examined using over 70 cases from 1997 to 1999. A solar wind-magnetosphere coupling parameter (based on Bargatze et al., Solar Wind-Magnetosphere Coupling, Terra Scientific Publishing Co., p. 101- 109, 1986) is used to correlate the amount of energy stored in the magnetospheric to the time delay for auroral activity relative to the SW pressure enhancement.
Spann, J. F.↗
Thigmomorphogenesis: the relationship of mechanical perturbation to elicitor-like activity and ethylene production
An extracellular solution obtained from bean (Phaseolus vulgaris L. cv. Resistant Cherokee Wax) stems induced phytoalexin-like substance and ethylene production in a soybean [Glycine max (L.) Merr. cv. Wayne] cotyledon bioassay. The elicitor-like activity for phytoalexin formation and ethylene production was increased by mechanical perturbation of bean stems. Moreover, the application of extracted or known elicitors to bean plants mimicked the effect of mechanical perturbation (i.e., inhibition of stem elongation and enhancement of radial growth). The effects of extract when applied exogenously, on elicitor-like activity in the bioassay as well as stem thickening were decreased by aminoethoxyvinylglycine, an inhibitor of ethylene biosynthesis. These results suggest that elicitor-like substances which are formed in response to mechanical perturbation contribute to the thigmomorphogenesis.
Plants, Medicinal↗
Atmospheric electricity
In the last three years the focus was on the information contained in the lightning measurement, which is independent of other meteorological measurements that can be made from space. The characteristics of lightning activity in mesoscale convective systems were quantified. A strong relationship was found between lightning activity and surface rainfall. It is shown that lightning provides a precursor signature for wet microbursts (the strong downdrafts that produce windshears hazardous to aircraft) and that the lightning signature is a direct consequence of storm evolution. The Universities Space Research Association (USRA) collaborated with NASA scientists in the preliminary analysis and scientific justification for the design and deployment of an optical instrument which can detect lightning from geostationary orbit. Science proposals for the NASA mesoscale science program and for the Tethered Satellite System were reviewed. The weather forecasting research and unmanned space vehicles. Software was written to ingest and analyze the lightning ground strike data on the MSFC McIDAS system. The capabilities which were developed have a wide application to a number of problems associated with the operational impacts of electrical discharge within the atmosphere.
Source record↗
Nuclear activity and the environments of nearby radio galaxies
Much of our present understanding of galaxy evolution over a large redshift range is based on the study of samples selected on the basis of non-thermal radio emission. It is therefore necessary to understand the relationship between radio source activity and the host galaxy. Recent observations suggest that there is a connection between radio galaxy (RG) activity and radio galaxy evolution. For example, high-redshift RGs (z approx. greater than 0.7) show evidence for significant populations of young stars, and have optical continuum morphologies nearly always aligned with the radio axis (McCarthy et al. 1987; Chambers et al. 1987). This phenomenon is generally attributed to radio jet induced star formation (DeYoung 1989), but the lack of high S/N spectra of the galaxy continua, and recent detections of polarized light in a few objects make it hard to rule out other processes such as scattering or synchrotron radiation. A detailed study of the continuum light in the distant RGs is difficult as they are optically very faint. However, nearby RGs (z approx. less than 0.1) have bluer B-V colors than radio-quiet ellipticals, presumably due to the presence of young stellar populations (Smith and Heckman 1989) and several have extended UV continuum emitting regions along their radio axes (van Bruegel et al. 1985a, b, di Serego Alighieri et al. 1989), reminiscent of the alignment effect seen in the high redshift RGs. We have almost completed a continuum imaging survey of nearby (and therefore optically brighter), powerful RGs to study any possible relationships between the optical continuum light and radio source activity. In particular we are interested in (1) whether these lower redshift RGs shown any evidence of the alignment effect (in their rest-frame UV light) that is seen in the distant RGs, and (2) the effects that the radio source has on the environment of the host galaxy.
Dey, Arjun↗
Identification of catalytic activity descriptors for selective 5-hydroxymethyl furfural electrooxidation to 2,5-furandicarboxylic acid
Relationship between d-metal active species (Co, Ni, & Cu) in Prussian blue analogue derived metal oxide/hydroxide films and the activation energy needed for full conversion of 5-HMF to 2,5-FDCA in alkaline solution.
Chemistry↗
A new method of very long-term prediction of solar activity
A method of solar activity prediction based on the statistical relationship between the minimum value of geomagnetic activity in each 11 year cycle and the height of the next sunspot cycle is proposed. The method is applied to predict sunspot cycle 21.
Ohl, A. I.↗
Delta-configurations - Flare activity and magnetic-field structure
Complex sunspots in four active regions of April and May 1980, all exhibiting regions of magnetic classification delta, were studied using data from the NASA Marshall Space Flight Center vector magnetograph. The vector magnetic field structure in the vicinity of each delta was determined, and the location of the deltas in each active region was correlated with the locations and types of flare activity for the regions. Two types of delta-configuration were found to exist, active and inactive, as defined by the relationships between magnetic field structure and activity. The active delta exhibited high flare activity, strong horizontal gradients of the longitudinal (line-of-sight) magnetic field component, a strong transverse (perpendicular to line-of-sight) component, and a highly nonpotential orientation of the photospheric magnetic field, all indications of a highly sheared magnetic field. The inactive delta, on the other hand, exhibited little or no flare production, weaker horizontal gradients of the longitudinal component, weaker transverse components, and a nearly potential, nonsheared orientation of the magnetic field. It is concluded that the presence of such sheared fields is the primary signature by which the active delta may be distinguished, and that it is this shear which produces the flare activity of the active delta.
Patty, S. R.↗
Global Auroral Energy Deposition Compared with Magnetic Indices
Measurement of the global rate of energy deposition in the ionosphere via auroral particle precipitation is one of the primary goals of the Polar UVI program and is an important component of the ISTP program. The instantaneous rate of energy deposition for the entire month of January 1997 has been calculated by applying models to the UVI images and is presented by Fillingim et al. in this session. Magnetic indices, such as Kp, AE, and Dst, which are sensitive to variations in magnetospheric current systems have been constructed from ground magnetometer measurements and employed as measures of activity. The systematic study of global energy deposition raises the possibility of constructing a global magnetospheric activity index explicitly based on particle precipitation to supplement magnetic indices derived from ground magnetometer measurements. The relationship between global magnetic activity as measured by these indices and the rate of total global energy loss due to precipitation is not known at present. We study the correlation of the traditional magnetic index of Kp for the month of January 1997 with the energy deposition derived from the UVI images. We address the question of whether the energy deposition through particle precipitation generally matches the Kp and AE indices, or the more exciting, but distinct, possibility that this particle-derived index may provide an somewhat independent measure of global magnetospheric activity that could supplement traditional magnetically-based activity indices.
Brittnacher, M. J.↗
Proteins with Novel Structure, Function and Dynamics
Recently, a small enzyme that ligates two RNA fragments with the rate of 10(exp 6) above background was evolved in vitro (Seelig and Szostak, Nature 448:828‐831, 2007). This enzyme does not resemble any contemporary protein (Chao et al., Nature Chem. Biol. 9:81‐83, 2013). It consists of a dynamic, catalytic loop, a small, rigid core containing two zinc ions coordinated by neighboring amino acids, and two highly flexible tails that might be unimportant for protein function. In contrast to other proteins, this enzyme does not contain ordered secondary structure elements, such as alpha‐helix or beta‐sheet. The loop is kept together by just two interactions of a charged residue and a histidine with a zinc ion, which they coordinate on the opposite side of the loop. Such structure appears to be very fragile. Surprisingly, computer simulations indicate otherwise. As the coordinating, charged residue is mutated to alanine, another, nearby charged residue takes its place, thus keeping the structure nearly intact. If this residue is also substituted by alanine a salt bridge involving two other, charged residues on the opposite sides of the loop keeps the loop in place. These adjustments are facilitated by high flexibility of the protein. Computational predictions have been confirmed experimentally, as both mutants retain full activity and overall structure. These results challenge our notions about what is required for protein activity and about the relationship between protein dynamics, stability and robustness. We hypothesize that small, highly dynamic proteins could be both active and fault tolerant in ways that many other proteins are not, i.e. they can adjust to retain their structure and activity even if subjected to mutations in structurally critical regions. This opens the doors for designing proteins with novel functions, structures and dynamics that have not been yet considered.
Proteins↗
Using Convolutional Neural Network to Emulate Seasonal Tropical Cyclone Activity
Abstract It has been widely recognized that tropical cyclone (TC) genesis requires favorable large‐scale environmental conditions. Based on these linkages, numerous efforts have been made to establish an empirical relationship between seasonal TC activities and large‐scale environmental favorability in a quantitative way, which lead to conceptual functions such as the TC genesis index. However, due to the limited amount of reliable TC observations and complexity of the climate system, a simple analytic function may not be an accurate portrait of the empirical relationship between TCs and their ambiences. In this research, we use convolution neural networks (CNNs) to disentangle this complex relationship. To circumvent the limited amount of seasonal TC observation records, we implement transfer‐learning technique to train ensemble of CNNs first on suites of high‐resolution climate model simulations with realistic seasonal TC activities and large‐scale environmental conditions, and then on a state‐of‐the‐art reanalysis from 1950 to 2019. The trained CNNs can well reproduce the historical TC records and yields significant seasonal prediction skills when the large‐scale environmental inputs are provided by operational climate forecasts. Furthermore, by inputting the ensemble CNNs with 20th century reanalysis products and Phase 6 of the Coupled Model Intercomparison Project (CMIP6) simulations, we investigated TC variability and its changes in the past and future climates. Specifically, our ensemble CNNs project a decreasing trend of global mean TC activity in the future warming scenario, which is consistent with our future projections using high‐resolution climate model.
Meteorology & Atmospheric Sciences↗
The Lack of Evidence on the Madden–Julian Oscillation to Drive Its Relationship With the Quasi–Biennial Oscillation Through Modulation of Stratospheric Wave Activity
Previous studies have found that Madden-Julian Oscillation (MJO) amplitude depends on the Quasi-Biennial Oscillation (QBO) during boreal winter. This MJO-QBO relationship is important to realizing subseasonal-to-seasonal prediction skills, but the underlying mechanism remains unclear. It is often thought that this relationship arises through the modulation of the upper-troposphere and lower-stratosphere lapse rate by the QBO, but this mechanism assumes the one-way impact of the QBO onto the MJO. Alternatively, the MJO can be hypothesized to influence the QBO by modulating stratospheric wave activity that is known to be critical to QBO dynamics. Therefore, using satellite and reanalysis data, this study examines whether MJO monthly activity can impact stratospheric wave activity and QBO downward propagation speed. The results depicted a lack of such impacts, suggesting this observed MJO-QBO relationship cannot be driven by the MJO modulation of stratospheric wave forcing.
54 ENVIRONMENTAL SCIENCES↗
Effects of Cofeeding Hydrogen on Propane Dehydrogenation Catalyzed by Isolated Iron Sites Incorporated into Dealuminated BEA
Iron sites dispersed on nonacidic siliceous supports have been reported to be catalytically active for propane dehydrogenation (PDH), yet the precise relationship between site structure and catalytic activity remains elusive. Here, this study provides a comprehensive understanding of the catalytic performance of iron supported on dealuminated BEA (DeAlBEA) zeolites for PDH. Using XAS, UV-vis, and IR spectroscopy of adsorbed pyridine and deuterated acetonitrile, it was found that, at an Fe/Al 0 of 0.04, isolated Fe sites form. These isolated sites exhibit a forward rate of PDH of 213 mol propene/mol Fe·h at 823 K and a feed containing 15 kPa propane. When 15 kPa of H 2 is added to the feed, the forward rate of PDH rises to 391 mol of propene/mol of Fe·h. In both cases, the propene selectivity is over 99%. IR spectroscopy of d 3 -acetonitrile suggests that the open Lewis acid site ((-Si-O-) 2 Fe 3+ -OH) serves as the active site responsible for PDH, while Brønsted acid sites (≡Fe 3+ -O(H)-Si≡) contribute to propane cracking with increasing Fe/Al 0 ratios. Kinetic analysis of the effects of H 2 addition to the propane feed on PDH kinetics shows that H 2 enhances the activity of 0.04FeDeAlBEA primarily by enhancing the strength of the propane adsorption.
Alghannam, Afnan [University of California, Berkel↗
Correlation between oxygen evolution reaction activity and surface compositional evolution in epitaxial La 0.5 Sr 0.5 Ni 1– x Fe x O 3– δ thin films
Water electrolysis can use renewable electricity to produce green hydrogen, a portable fuel and sustainable chemical precursor. Improving electrolyzer efficiency hinges on the activity of the oxygen evolution reaction (OER) catalyst. Earth-abundant, ABO 3 -type perovskite oxides offer great compositional, structural, and electronic tunability, with previous studies showing compositional substitution can increase the OER activity drastically. However, the relationship between the tailored bulk composition and that of the surface, where OER occurs, remains unclear. Here, we study the effects of electrochemical cycling on the OER activity of La 0.5 Sr 0.5 Ni 1– x Fe x O 3– δ ( x = 0–0.5) epitaxial films grown by oxide molecular beam epitaxy as a model Sr-containing perovskite oxide. In this work, electrochemical testing and surface-sensitive spectroscopic analyses show Ni segregation, which is affected by electrochemical history, along with surface amorphization, coupled with changes in OER activity. Our findings highlight the importance of surface composition and electrochemical cycling conditions in understanding OER performance, suggesting common motifs of the active surface with high surface area systems.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗