The Free-Wilson paradigm is an established and powerful tool for quantitatively relating activity withchemical structure.Current implementations of the paradigm,however,are flawed both conceptually andin execution.As part of an attempt to more fully realize the promise of the paradigm,it was necessaryto examine these limitations in detail.This report introduces a robust,theory-founded Free-Wilson implementation:stepwise principalcomponents regression analysis(SPCRA).SPCRA is computationally superior to previousimplementations but does not in itself correct their conceptual flaws.The development of SPCRA did,however,facilitate derivation of a simple and chemically significantinterpretation of the Free-Wilson structure-activity model.A number of statistical aspects of this modelcommonly misused in previous applications are discussed at length.These discussions provide criticalbackground for the development of an alternative implementation of the Free-Wilson paradigm. 相似文献
Microwave observations in the range 1 to 18 GHz with high spectral resolution (40 frequencies) have shown that many events display a complex microwave spectrum. From a set of 14 events with two or more spectral components, we find that two different classes of complex events can be distinguished. The first group (4 events) is characterized by a different temporal evolution of the spectral components, resulting in a change of the spectral shape. These events probably can be explained by gyrosynchrotron emission from two or more individual sources. The second class (10 events) has a constant spectral shape, so that the two spectral components vary together in intensity. For all ten events in this second class, the ratio of primary to secondary peak frequencies is remarkably similar, exhibiting an average value of 3.4, and both components show a common circular polarization. These properties suggest either a common source for the different spectral components or several sources which are closely coupled. An additional example of this class of burst was observed interferometrically to provide spatial resolution. This event suggests that the primary and secondary components have a similar location, but that the surface area of the secondary component is larger.Swiss National Science Foundation Fellow from the University of Bern. 相似文献
CSDP core Yaxcopoil-1 was drilled to a depth of 1,511 m within the Chicxulub crater. An organic-rich marly limestone near the base of the hole (1,495 to 1,452 m) was deposited in an open marine shelf environment during the latest Cenomanian (uppermost Rotalipora cushmani zone). The overlying sequence of limestones, dolomites and anhydrites (1,495 to 894 m) indicates deposition in various carbonate platform environments (e.g., sabkhas, lagoons). A 100-m-thick suevite breccia (894–794 m) identifies the Chicxulub impact event. Above the suevite breccia is a dolomitic limestone with planktic foraminiferal assemblages indicative of Plummerita hantkeninoides zone CF1, which spans the last 300 ky of the Maastrichtian. An erosional surface 50 cm above the breccia/dolomite contact marks the K/T boundary and a hiatus. Limestones above this contact contain the first Tertiary planktic foraminifera indicative of an upper P. eugubina zone P1a(2) age. Another hiatus 7 cm upsection separates zone P1a(2) and hemipelagic limestones of planktic foraminiferal Zone P1c. Planktic foraminiferal assemblages of Zone Plc to P3b age are present from a depth of 794.04 up to 775 m. The Cretaceous carbonate sequence appears to be autochthonous, with a stratigraphic sequence comparable to late Cretaceous sediments known from outside the Chicxulub crater in northern and southern Yucatan, including the late Cenomanian organic-rich marly limestone. There is no evidence that these sediments represent crater infill due to megablocks sliding into the crater, such as major disruption of sediments, chaotic changes in lithology, overturned or deep dipping megablocks, major mechanical fragmentation, shock or thermal alteration, or ductile deformation. Breccia units that are intercalated in the carbonate platform sequence are intraformational in origin (e.g., dissolution of evaporites) and dykes are rare. Major disturbances of strata by the impact therefore appear to have been confined to within less than 60 km from the proposed impact center. Yaxcopoil-1 may be located outside the collapsed transient crater cavity, either on the upper end of an elevated and tilted horst of the terrace zone, or even outside the annular crater cavity. The Chicxulub site thus records a large impact that predates the K/T boundary impact and mass extinction. 相似文献
Climate change is expected to bring potentially significant changes to Washington State’s natural, institutional, cultural, and economic landscape. Addressing climate change impacts will require a sustained commitment to integrating climate information into the day-to-day governance and management of infrastructure, programs, and services that may be affected by climate change. This paper discusses fundamental concepts for planning for climate change and identifies options for adapting to the climate impacts evaluated in the Washington Climate Change Impacts Assessment. Additionally, the paper highlights potential avenues for increasing flexibility in the policies and regulations used to govern human and natural systems in Washington. 相似文献
Sensitivity studies with regional climate models are often performed on the basis of a few simulations for which the difference
is analysed and the statistical significance is often taken for granted. In this study we present some simple measures of
the confidence limits for these types of experiments by analysing the internal variability of a regional climate model run
over West Africa. Two 1-year long simulations, differing only in their initial conditions, are compared. The difference between
the two runs gives a measure of the internal variability of the model and an indication of which timescales are reliable for
analysis. The results are analysed for a range of timescales and spatial scales, and quantitative measures of the confidence
limits for regional model simulations are diagnosed for a selection of study areas for rainfall, low level temperature and
wind. As the averaging period or spatial scale is increased, the signal due to internal variability gets smaller and confidence
in the simulations increases. This occurs more rapidly for variations in precipitation, which appear essentially random, than
for dynamical variables, which show some organisation on larger scales. 相似文献
We outline our experience in organizing the first edition of the Workshop on Matter, Astrophysics, Gravitation, Ions and Cosmology, held in virtual and in-person format, denominated MAGIC23, held from 6 to 10 March, 2023, in Praia do Rosa, Santa Catarina, Brazil. The event aimed to bring together leading academic scientists, professors, students, and research scholars for exchanging experiences and discuss the most recent innovations, trends, practical challenges, and experimental and theoretical solutions adopted in the investigation fields within the scope of the meeting. The workshop offered to the participants a platform for scientific and academic projects, partnerships, and presentation of high-quality research contributions describing original and unpublished results on topics related to matter, astrophysics, gravitation, ions, and cosmology. 相似文献
Solar Physics - The STEREO wave instrument (S/WAVES) has detected a very large number of intense voltage pulses. We suggest that these events are produced by impact ionisation of nanoparticles... 相似文献
Early in the STEREO mission observers noted that the white-light instruments of the SECCHI suite were detecting significantly more spacecraft-related “debris” than any previously flown coronagraphic instruments. Comparison of SECCHI “debris storms” with S/WAVES indicates that almost all are coincident with the most intense transient emissions observed by the radio and plasma waves instrument. We believe the debris is endogenous (i.e., from the spacecraft thermal blanketing), and the storms appear to be caused by impacts of large interplanetary dust grains that are detected by S/WAVES. Here we report the observations, compare them to interplanetary dust distributions, and document a reminder for future spacebased coronagraphic instrument builders.