A ROBUST PLS PROCEDURE

A robust partial least squares(PLS)regression algorithm is developed.This is achieved by substitutionof the univariate regression steps in the iterative PLS2 algorithm by a robust alternative.The anglebetween loading vectors from both perturbed and unperturbed solutions is used as a measure ofrobustness.By means of a perturbation study on a structure-activity data set,it is demonstrated thatthe stability of the robust method is superior to standard PLS.     

Zooplankton distribution and abundance in saline lakes of British Columbia,Canada

Zooplankton in saline lakes of the Southern Interior Plateau of British Columbia were collected on three occasions: mid-May and early August, 1990, and in late July, 1991. Salinities ranged from 2.6 to 45.8 g L⁻¹. Of the 17 lakes examined, 13 were hyposaline (∼-20g L⁻¹), four, mesosaline (20–50 g L⁻¹) and none, hypersaline (>50 g L⁻¹). pH ranged from 8.7 (Three Mile) to 10.7 (Goodenough), with values <9.6 in 10, and <9.0 in only three lakes. Lakes with high pHs had high bicarbonate-carbonate alkalinities. Thirty one species of zooplankton occurred: Protista (1), Rotifera (13), Anostraca (2), Cladocera (7), Ostracoda (1) and Copepoda (7). Sixteen species were restricted to hyposaline waters, with seven found only in salinities of ≤5 gL⁻¹. Two species (Diaptomus connexus, Artemia franciscana) were restricted to mesosaline waters of salinity >35 g L⁻¹. Eurysaline species includedBrachionus plicatilis, Hexarthra fennica, Limnocythere staplini, Artemia franciscana andDiaptomus connexus. Most species were abundant in 1+ lakes, but six species always had low populations.B. plicatilis, Hexarthra polyodonta, A. franciscana, Limnocythere staplini, Daphnia similis andD. connexus had densest populations in one or more of the three most saline lakes, viz. Long, Goodenough and Three Mile. Cladocerans other thanD. similis (Alona sp., Ceriodaphnia quadrangula, Daphnia pulex) were usually abundant in lakes of low salinity (<5 g L⁻¹).Diatomus sicilis, present in all except the three most saline lakes, also occurred in abundance in ten of these lakes.Moina hutchinsoni andH. polyodonta were present in both hyposaline and mesosaline lakes, but, more importantly, tended to occur only at higher pH values (>pH 9.4) but not in all such lakes. These can be regarded as alkaline-saline species. Sorensen’s Coefficient of Community Similarity was used to compare communities in Alberta-Saskatchewan and British Columbia. It was low (0.37). A comparison restricted to just Cladocera gave a slightly higher value, 0.44, but a comparison of Copepoda gave a value of 71 per cent similarity between the regions. Multiple regression analyses using pH, TDS and K regressed on species richness for all samples accounted for only 41 per cent of the variance. However, when the analysis was seasonally restricted (May), and thus to a limited chemical range, 47 to 77.5 per cent of the variance was accounted for by these three variables.     

Cl,Br and I analyses of metamorphic and sedimentary rocks by isotope dilution mass spectrometry

Isotope dilution mass spectrometry with negative thermal ions was applied to determine Cl, Br and I in rocks which, in part, contained less than 100 ppb of Br and I. Two sets of samples have been investigated: a) a series of Al-rich metapelites of increasing metamorphic grade from the Damara Orogen, Namibia and b) fresh and hydrothermally altered greywackes from the Pb−Zn deposit Bad Grund in Germany. It was found that regional metamorphism of Al-rich metapelites causes no strong fractionation of the halides. The Br/Cl ratios in the metapelites are similar to those of sea water. The I/Cl and I/Br ratios, however, are 500 times higher. The I depleted in the ocean most probably is associated with organic matter stored in sediments. The unaltered greywackes from near the Pb−Zn vein have about the same concentrations of halides as the metamorphic Al-rich pelites. By contrast, the hydrothemally altered greywackes contain about twice as much Cl and I, and about 2–5 times as much Br as the unaltered samples. The element ratios, however, are similar for all three categories of rocks, thereby indicating that sea water played no role in the hydrothermal system.     

On the scavenging of gaseous nitrogen compounds by large and small rain drops I. A wind tunnel and theoretical study of the uptake and desorption of NH3 in the presence of CO2

An experimental study has been carried out in the Mainz vertical wind tunnel to determine the rate at which NH₃ in the presence of CO₂ is absorbed by freely suspended water drops. The experimental uptake rates were found to be in good agreement with the rates predicted by the Kronig-Brink convective diffusion model and, for gas concentrations in the ppbv range also by the model in which it is assumed that the absorbed gas is well mixed inside the drop (henceforth called well mixed model). The same conclusion was shown to apply also to the desorption of NH₃ from a drop previously exposed to NH₃. The latter result is in contrast to the desorption of SO₂ which must be described by a model which accounts for the diffusion of the species inside the drop. Comparison of our experimental results with theory show further that the uptake of NH₃ in presence of CO₂ is significantly overestimated if the slow reaction CO_2(aq)+H₂OHCO ₃ ^– +H⁺ is neglected in the theoretical computation.     

Seismicity of the Koyna region and regional tectonomagmatism of the Western Margin (India)

Recent findings on the Meso-Cenozoic tectonomagmatism and deep-seated anomalous geophysical structures suggest a close linkage between the seismicity of the Koyna region, the Westernghat uplift (WG-U) and associated thermomechanical and fluid activities. The WG-U seems to be the result of late Cretaceous thermal mobilization, erosion of the Deccan trap cover and superposition of compressional stress. The association of seismicity with uplift seems to result from movement of deep-seated heat and fluids/volatiles along the edges (or boundary faults) of the uplift; because the force required for crustal deformation depends on the relief. Observed gradients in relief may be attributed to the differential erosion-rates and heat inputs, due to the time gap of 50 Ma in the break-ups and plume activities on the eastern and western sides and consequence magmatism. Further, the geology and tectonics strongly indicate that the western margin (WM) is a relic of a mobile arm (MA), that included Madagascar, and which formed a part of the Proterozoic mobile belt of greater India (fort>85 Ma). The mobile nature of the WM facilitates mantle upwellings and transient elevation of isotherms at depth, raising the possibility of intermittent metamorphism and greater deformation.Superposition of the ongoing compression and uplift-induced forces make local permeability and pore-fluid pressure vital in triggering the seismic slip over the Peninsular shield. Certain representative model calculations have been carried out to estimate change in the e.m. induction characteristics caused by an intermittent hydraulic connectivity. The results show a drop in the resistivity which could be a useful monitoring index. The close connection of uplift and fluid activity as discussed here seems applicable for other active parts of the South Indian Shield (SIS) also.     

Age,origin and geodynamic significance of a polymetamorphic felsic intrusion in the Ötztal Crystalline Basement,Tirol, Austria

Summary A multi-method approach was applied to derive the age and origin of an orthogneiss body located in the central Kaunertal, western Ötztal Crystalline Basement (ÖCB). The Tieftal orthogneiss body is an internally differentiated, polymetamorphosed epizonal intrusion, embedded in amphibolites. It comprises leucocratic hedenbergite-hornblende-, hornblende- and biotite-hornblende-gneisses, but also some melanocratic rock types. The leucocratic Tieftal gneisses are granitic, have a near eutectic melt composition and share some features of A-type granites, such as high Na₂O+K₂O(8.07 to 8.58wt%), Zr (379 to 554ppm) and Y (58 to 79ppm) contents. The REE-patterns are rather flat ((La/Yb)_N=2.4 to 3.7), with distinct negative Eu anomalies. Single zircon evaporation dating of two samples and Sm-Nd dating of relict magmatic titanite resulted in ages of 487±7, 484±3 and 487±5Ma, respectively. The weighted mean of 485±3Ma is interpreted as the primary crystallization age of the Tieftal orthogneiss body. Rb-Sr whole rock dating results in a well defined regression line, corresponding to an age of 411±9Ma. This age clearly documents at least a partial resetting of the whole rock Rb-Sr system, which is most probably due to subsequent metamorphic overprint. The leucocratic Tieftal gneisses are isotopically rather primitive with an Nd _CHUR ^{485 Ma} value of +1.7 and a calculated magmatic initial⁸⁷Sr/⁸⁶Sr ratio of 0.7047. These data suggest a major mantle contribution. Most probably, they originated through fractionation of the magmatic precursors of the accompanying tholeiitic metabasites. The more primitive isotopic composition of ÖCB metabasites and some late Archean/early Proterozoic and Cambrian inheritance in Tieftal gneiss zircons suggest some involvement of old crustal rocks, too. The amount of crustal contamination can be calculated to be in the range of 10 to 40%. The Tieftal gneisses and the accompanying metabasites are interpreted as remnants of igneous rocks related to an early Ordovician rifting and incipient formation of new oceanic crust, an event which can be traced throughout the central and western European Variscan and Alpine terranes.

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Alter, Genese und geologische Bedeutung einer polymetamorphen felsischen Intrusion im Ötztalkristallin, Tirol, Österreich

Zusammenfassung Ein Vielzahl von Methoden wurde angewandt, um das Alter und die Genese eines Orthogneiskörpers im mittleren Kaunertal, westliches Ötztalkristallin, abzuleiten. Der Tieftal-Orthogneiskörper ist eine in Amphiboliten eingeschaltete, intern differenzierte, polymetamorph überprägte, epizonale Intrusion. Er umfaßt sowohl leukokrate Hedenbergit-Hornblende-, Hornblende- und Biotit-Hornblende-Gneise als auch untergeordnet melanokrate Gesteine. Die leukokraten Tieftal-Gneise besitzen einen granitischen, beinahe einer eutektischen Schmelze entsprechenden Chemismus; einige Parameter wie hohe Na₂O+K₂O(8.07 bis 8.58Gew%), Zr(379 bis 554ppm) und Y(58 bis 79ppm) Gehalte weisen auf eine A-Typ Affinität hin. Die SEE-Spektren sind nur gering fraktioniert ((La/Yb)_N=2.3 bis 3.7) und weisen eine markante negative Eu-Anomalie auf. Einzelzirkon-Evaporationsdatierungen an 2 Proben und eine Sm-Nd Datierung von reliktischem magmatischem Titanit ergeben Alter von 487±7, 484±3 und 487±5Ma. Der gewichtete Mittelwert von 485±3Ma wird als das primäre magmatische Kristallisationsalter des Tieftal-Orthogneiskörpers interpretiert. Eine Rb-Sr Gesamtgesteinsdatierung ergibt eine gut definierte Regressionsgerade mit einem Alter von 411±9Ma. Dieses Alter beweist eine postmagmatische Störung des Rb-Sr Gesamtgesteinssystems, die durch die metamorphen überprägungen verursacht wurde. Die leukokraten Tieftal-Gneise besitzen eine relative primitive isotopische Zusammensetzung mit einem Nd _CHUR ^{485 Ma} a Wert von +1.7 und einem zurückgerechneten magmatischen⁸⁷Sr/⁸⁶Sr Initialverhältnis von 0.7047. Diese Daten machen eine große Beteiligung von Mantelmaterial wahrscheinlich. Am ehesten entstanden die leukokraten Tieftal-Gneise durch magmatische Fraktionierungsprozesse aus den Ausgangsgesteinen der begleitenden tholeiitischen Metabasite. Die noch primitivere isotopische Zusammensetzung der Metabasite im Ötztalkristallin und spätarchaische/frühproterozoische sowie kambrische Komponenten in den Zirkonen der leukokraten Tieftal-Gneise weisen aber auch auf die Beteiligung alten krustalen Materials hin. Der Anteil der krustalen Komponente liegt im Bereich von 10 bis 40%. Der Tieftal-Orthogneiskörper und die begleitenden Metabasite werden als Relikte magmatischer Gesteine, die während eines frühordovizischen Riftings und der beginnenden Bildung neuer ozeanischer Kruste entstanden sind, gedeutet. Zeugen dieses Vorganges sind in allen variszisch und alpidisch geprägten Gebieten Westund Mitteleuropas zu finden.

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With 13 Figures     

Zircon U/Pb and Pb/Pb geochronology of the Rastenberg granodiorite,South Bohemian Massif,Austria

Summary A combined zircon typology, zircon Pb-Pb evaporation, and conventional U-Pb study of the late- to post-tectonic Rastenberg granodiorite yields the following results: Typological investigations show two distinguishable zircon populations. Type l: subtype S24 ofPupin, colourless to slightly pink, clear to turbid, often with cores, few to abundant inclusions, long prismatic; type 2: subtype S4 ofPupin, colourless to reddish or slightly pink, clear to slightly turbid, no visible cores, abundant inclusions, tabular habit, short prismatic.At least 4 different zircon-forming events can be distinguished: Inherited cores with ages around 623±22Ma and single ages > 1206Ma from type 1 zircons imply the reworking of rocks derived from Cadomian and Proterozoic to Archean crust. Ages around 353±9Ma from type 1 zircons are interpreted as timing a first magma formation or the onset of a long-lasting magma-generating event during the Variscan plutonism in the South Bohemian pluton. The actual intrusion of the granodioritic magma into the middle crust took place around 338±2Ma (type 2 and rims of type 1 zircons).Only type 1 zircons are found as inclusions in large K-feldspar phenocrysts providing evidence that these phenocrysts have grown before the 338Ma event and may be as old as 353 Ma.[]

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Zirkon U/Pb und Pb/Pb Geochronologie des Rastenberger Granodiorits, südliche Böhmische Masse, Österreich

Zusammenfassung Zirkon-typologische Untersuchungen, Einzelzirkon Pb-Pb-Evaporations- und konventionelle U-Pb-Altersbestimmungen an Gesteinen des spät- bis postkinematischen Rastenberger Granodiorits geben folgende Resultate: Typologisch lassen sich zwei Zirkonpopulationen unterscheiden: Typ 1: S24 Subtyp vonPupin, farblos bis leicht rosa, klar bis getrübt, häufig mit Kernen, wenige bis viele Einschlüsse, lang prismatisch; Typ 2: S4 Subtyp vonPupin, farblos bis rötlich oder leicht rosa, klar bis leicht getrübt, keine sichtbaren Kerne, viele Einschlüsse, flachtafeliger Habitus, kurzprismatisch.Mindestens 4 unterschiedliche Altersgruppen lassen sich unterscheiden: Ererbte Kerne von Typ 1 Zirkonen mit Altern um 623±22Ma und einzelnen Altern > 1206Ma sprechen für die Aufarbeitung von Gesteinen, die von cadomischen und proterozoischen bis archaischen Gesteinen im Krustenbereich des Südböhmischen Plutons abstammen könnten. Alter um 353±9Ma von Typ 1 Zirkonen werden einer ersten magmatischen Phase oder dem Beginn der Krustenaufschmelzung im Zuge der Bildung der variszischen Plutonite zugeordnet. Die eigentliche Intrusion des Granodiorits um 338±2Ma wird mit Typ 2 und mit Randpartien von Typ 1 Zirkonen erfaßt.In den großen K-Feldspat-Phänokristallen finden sich nur Zirkone vom Typ 1. Dies deutet darauf hin, daß die Phänokristalle vor dem 338Ma Ereignis gebildet wurden, eventuell also bis 353Ma alt sein können.

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With 6 Figures     

On the scavenging of gaseous nitrogen compounds by large and small rain drops: II. Wind tunnel and theoretical studies of the simultaneous uptake of NH3, SO2 and CO2 by water drops

An experimental investigation of the simultaneous absorption of NH₃ and SO₂ from the ambient atmosphere by freely falling water drops has been carried out in the Mainz vertical wind tunnel. The experimental results were found to be in good agreement with the results derived from computations with the Kronig-Brink convective diffusion model and also with a model which assumes a drop to be well mixed at all times. Encouraged by this agreement, these computation schemes for the uptake of gas by single drops where incorporated in a pollution washout model with realistic SO₂, NH₃ and CO₂ gas profiles. This model allows an entire raindrop size distribution to fall through a gas layer. The results of this plume-model show that the SO₂ uptake is strongly dependent on the NH₃ concentration in the atmosphere and on the rainrate. We also find that the small drops contribute more towards the washout of these gases. In the case of simultaneous presence of NH₃ and SO₂, desorption of these gases is negligible.