BIOGEOCHEMISTRY RESEARCH OF FLUORIDE IN ANTARCTIC OCEAN Ⅰ. THE STUDY OF FLUORIDE ANOMALY IN ANTARCTIC KRILL

The aim of the study is to investigate the existing form and the partitioning pattern of fluoride in krill (Euphusia superba) by analysing the fluoride and other elements in various part of krill, primarily to approach the potential concentrating mechanism and the effect of fluoride in krill on the geochemical characteristics of fluoride in the Antarctic ecoenvironment. The results of the study show that the amount of flouride in various part of krill has a considerable difference. Most of fluoride is concentrated in the carapace, up to 4028μg/g, and the head and legs, respectively 2724μg/g and 2828μg/g. The muscle contains the least flouride with amount of 226μg/g. The amount of fluoride in whole freeze-dried krill is averagely 1232μg/g, which indicates that the functional position of fluoride in krill is mainly located at the crust. Only a few of fluoride is found in the chitin of the carapaces (200μg/g), which exhibits that fluoride in the carapaces exists mostly in the form of the nonchitious     

LABORATORIO DI CHEMIOMETRIA,UNIVERSITY OF PERUGIA,ITALY

The Laboratory for Chemometrics at the University of Perugia is situated in the NaturalSciences Building,close to the centre of Perugia.Perugia is situated in Umbria,about 3 hoursnorth of Rome (by train).The old city centre is on a hilltop and has a well-preserved medievalcharacter,and also reminders from its Roman and Etruscan origin are abundant.Very closeto the Natural Sciences Building are the Via Appia and the Etruscan gate,and below the     

MECHANISM OF THE HYDROLYSIS OF ADENOSINE 5＇-TRIPHOSPHATE: A REGRESSION ANALYSIS OF KINETIC DATA

Data of the hydrolysis of adenosine 5'-triphosphate have been re-evaluated using a computer program thatnumerically integrates the differential rate equations within a routine that optimizes rate coefficients givena suitable model and concentration versus time data. The model is tested by calculation of Hamilton R-values, the Fisher F-statistic, a sensitivity analysis,the standard errors on the rate coefficients and by constructing contour maps of the objective functionversus two rate coefficients. An optimization using only phosphate concentration data cannot distinguish between a model in whichadenosine 5'-monophosphate is formed predominantly directly with a molecule of pyrophosphate, andone in which it is formed via adenosine 5'-diphosphate. A more accurate set of rate coefficients iscalculated from existing data and the relative importance of the two paths determined.     

AN OCCURRENCE OF THE ASSEMBLAGE GRANDIDIERITE, KORNERUPINE, AND TOURMALINE IN ANTARCTICA

Grandidierite, kornerupine, and tourmaline occur in high-grade pelitic gneisses from the Larsemann Hills, East Antarctica. The three minerals contact to each other and show a special order: Trn_1→Gdd→Trn_2→Krn→Trn_3, suggesting the occurrence of the assemblage is controlled by the temporal changes of the chemical potentials of B_2O_3 and H_2O. The discovery of the assemblage is a good constraint on the seting and composition feature of metamorphism in the area.     

LABORATORY PROFILE ISTITUTO DI ANALISI E TECNOLOGIE FARMACEUTICHE ED ALIMENTARI, UNIVERSITY OF GENOA,ITALY

Genoa is an Italian city with a long history(the name is Genova in Italian,Genua in German,not to be confused with Geneva in Switzerland).The city is situated on the Ligurian coast andis squeezed between the mountains and the Mediterranean.This means that the city stretchesout along the coastline in a linear structure with a lot of suburbs.In all these suburbs one canhave a view of the mountains and the sea at the same time,which is a quite unique and pleasantcircumstance.     

THE CHEMOMETRICS TEAM OF MITAC (MICRO AND TRACE ANALYSIS CENTER),UNIVERSITY OF ANTWERP,BELGIUM

The University of Antwerp is spread out over three campuses in the larger Antwerp area.Thechemometrics group is situated at the UIA campus in the suburb of Wilrijk.The Universityof Antwerp has 6000 students and the number of personnel is 2000.For the UIA campus thisis 1800 and 600,respectively.The faculties in Antwerp are:mathematics and natural sciences,medicine and pharmacy,law,applied economy and humanities.The location of the UIA     

RAPID ESTIMATION OF THE NUMBER OF COELUTING COMPONENTS IN LIQUID CHROMATOGRAPHY BY FACTOR ANALYSIS

Evaluation of the results of factor analysis of sets of spectroscopically detected chromatograms is carriedout by examining the shapes of the abstract factors.This is done either by visual inspection or by analysisof the power density spectra produced from them.Owing to constraints imposed by the column functionand the spectroscopic instrument function,the information content of the chromatograms necessarilyoccurs at low spatial frequencies.As a consequence,it appears as relatively broad features in the abstractchromatograms and as a peak in the low-frequency region of the corresponding power density plot.Onthe basis of examination of the power density distribution,a well-defined distinction is made betweenprimary and secondary abstract factors.The major uncertainty encountered in determining the numberof chemical components appears to arise from effects of contaminants in reagents.     

SIMPLE VALIDATORY TOOLS FOR JUDGING THE PREDICTIVE PERFORMANCE OF PARAFAC AND THREE-WAY PLS

The methods PARAFAC and three-way PLS are compared with respect to their ability to predictreversed-phase retention values.Special attention is paid to simple validatory tools,the meaning and useof which are explained.The simple validatory tools consist of percentages of explained variation in the training set and thosethat can be calculated with the use of markers.These markers are special(reference)solutes,the retentionvalues of which are used to gain information about a new object for which predictions are wanted.Different validatory tools can be calculated with the use of these marker retention values:percentagesof used variation and mean sum of squared residuals after applying the model to these marker retentionvalues.The validatory tools are evaluated on their power to estimate their test set counterparts:thepercentages of explained variation in the test set and mean sum of squared prediction errors in the test set.Two different data sets from reversed-phase chromatography are used to evaluate the validatory tools.The first data set has a high signal-to-noise ratio and is measured under the same measurementconditions.The second data set has a low signal-to-noise ratio and is measured under differentmeasurement conditions.Some of the simple validatory tools seem to have relevance to their test setcounterparts,even in the case of the second data set.     

EXPECTATION-MAXIMIZATION ALGORITHM FOR REGRESSION,DECONVOLUTION AND SMOOTHING OF SHOT-NOISE LIMITED DATA

A simple algorithm for deconvolution and regression of shot-noise-limited data is illustrated in this paper.The algorithm is easily adapted to almost any model and converges to the global optimum.Multiple-component spectrum regression,spectrum deconvolution and smoothing examples are used to illustratethe algorithm.The algorithm and a method for determining uncertainties in the parameters based on theFisher information matrix are given and illustrated with three examples.An experimental example ofspectrograph grating order compensation of a diode array solar spectroradiometer is given to illustratethe use of this technique in environmental analysis.The major advantages of the EM algorithm are foundto be its stability,simplicity,conservation of data magnitude and guaranteed convergence.     

SHORT COMMUNICATION CHEMOMETRIC ASPECTS OF AN ENVIRONMENTAL STUDY

The application of several chemometric topics in connection with an environmental study is described.Atwo-way ANOVA is used to show the irregularity of the distribution of heavy metals in the rural soilsaround a lead smelter.Multivariate statistical methods are also applied to show significant correlationsbetween metals and the wind direction.Principal components analysis and Varimax rotation seem toconfirm the validity of the conclusions.     

EFFECT OF ENVIRONMENTAL FACTORS ON POPULATION DYNAMECS OF DREPANOPUS BISPINOSUS IN BURTON LAKE, ANTARCTICA

The population dynamics of Drepanopus bispinosus (Calanoida: Copepoda) was studied throughout the year of December 1983-January 1985 in Burton Lake, a littoral saline lake on Vestfold Hills,Antarctica, and the environmental factors of the lake were observed simultaneously. D. bispinosus is univoltine. Its population life cycle could be in 20-21 months and reproduetive activity stays from winter to early summer. The adults (male and female) and nauplil mainly form the winter population. Adult females are instead of male and, copepodites are instead of nauplii in summer population. Then it consists of copepodites mainly in stages II-V from late summer through autumn. The density of population components considerably varies for their whole life time. Most of nauplii appearing in winter may not develop and transform into further stages under the restrictive conditions, such as low oxygen content and scarce food. Earlier stage copepodites of new generation appear largely in summer, when the lake is rich in o     

PRELIMINARY STUDY ON THE OXYGEN-MINIMUM LAYER IN WATER AREA ADJACENT TO SOUTH SHETLAND ISLANDS AND NORTH OF ARDLEYD ISLAND, ANATRCTICA, IN SUMMER

In this paper, a distribution of the oxygen-minimum layer in the sea area adjacent to the South Shetland Islands and north of the Ardleyd Island, Antarctica, in surmner is discussed.The vertical distribution of oxygen in oxygen-minimum layer has the following features: 1). The depth at which the oxygen content greatly decreases is coincident with the depth of pycnocline; 2). There is a thick water layer with low oxygen content; 3). The oxygen-minimum layer occurs below the thermocline and coincides with the depth at which the temperature mostly increases. According to preliminary result of correlation analysis, the varia tion of oxygen-minimum layer is related to physical preperties of the circulation and biochemical process in deep layer of the ocean.     

BIOMONITORING OF AMBIENT CONCENTRATIONS OF CADMIUM, COPPER, I,EAD AND ZINC IN THE COASTAL WETLAND WATER BY USING GILLS OF THE GREEN- LIPPED MUSSEL PERNA VIRIDIS

The distribution and concentrations of Cd, Cu, Pb and Zn were determined in the gills and remaining soft tissues of Perna viridis collected from 12 geographical sites （ 10 from the west and 2 from the east coastal waters） of Peninsular Malaysia. All samples showed that the levels of Cd, Pb and Zn were generally higher in the gill than those in the remaining soft tissues. These results could be due to the fact that gills are the first organ of metal accumulation and larger surface area with mucus sheets in the organ. Since the mussel gill is a better accumulator of Cd, Pb and Zn of ambient seawater than remaining soft tissue, it is a potential indicator of ambient levels of dissolved metals in the ambient seawater. However, further validations based on laboratory conditions are needed.     

RESOLUTION OF MULTICOMPONENT FLUORESCENT MIXTURES BY ANALYSIS OF THE EXCITATION-EMISSION-FREQUENCY ARRAY

Fluorescence lifetime provides a third independent dimension of information for the resolution of totalluminescence spectra of multicomponent mixtures.The incorporation of this parameter into theexcitation-emission matrix(EEM)by the phase modulation technique results in a three-dimensionalexcitation-emission-frequency array (EEFA).Multicomponent analysis based on the three-dimensionalEEFA brings a qualitative change for the resolved spectra,i.e.individual spectra can be uniquely resolved,which is impossible with any two-dimensional analysis.In this paper we present a method for analyzingthe EEFA.We show mathematically that with the three-dimensional analysis of the EEFA individualspectra and lifetimes can be obtained.Our algorithm is developed in mathematical detail and isdemonstrated by its application to a two-component mixture.     

DENSIFICATION PROCESS WITHIN THE NEAR-SURFACE LAYER OF THE ANTARCTIC ICE SHEET

The densification process within the near-surface layer of Antarctic Ice Sheet is dominated by the environment and exhibits geographic zonality, In this article, the processes are found to be of three types: warm, cold and alternate, on the basis of the studies on a lot of shallow snow/firm cores from Wilkes Land, Antarctica, and the available data. Warm type densification takes place mainly on the periphery of the Antarctic Ice Sheet, where the mean annual temperature is about --10----15℃. High temperature in summer and consequent melting and infiltration are the main factors influencing the densification process. Cold type densification occurs in the huge central region of the Antarctica, where the mean annual temperature is below --25℃, with the maximum below 0℃ in summer. In this region, ice sintering is a main cause for the densification. The alternate type densification occurs in the transition zone between the above two regions, where the mean annual temperature is --15----25℃ and the highest     

ANOMEALY OF FLUORINE IN A SEDIMENTARY SYSTEM, WESTERN ANTARCTIC OCEAN

Fluorine content in bulk sediment and its pore water in Western Antarctic Ocean is 200～395μg/g and 1.18～1.92ug/ml respectively, far below the average reported previously in the world oceans (540 ug/g and 2.7t~g/ml, respectively). This study also shows that the distribution of fluorine in the sediments of the area is mainly controlled by the chemical composition of the material from the surrounding islands, and the element seems to be mostly incorporated in the hornblende, thus the correlation between the element and the hornblende amount in the sediments can be expressed statistically as following: F=217+ln Vh. The low concentration of fluorine in the pore water is largely due to the weak weathering process on the islands and the precipitation of the element with calcium. It can be indicated well by the lower value of anion-exchangeable (HCO_3~-) F- in the studied area, which is only about one tenth of that in Pacific Ocean and a quarter in South China sea and a half in the sea east of Zhejiang. In a     

REPRESENTATION OF SPECTRA BY CONTINUOUS FUNCTIONS

A general framework for manipulating spectra as functions in traditional multivariate methods such asPCA and PLS is described.The functional representation is very convenient for compression,ensuringsmoothness and continuity.There are two fundamentally different types of representations:(a)byfunctions and(b)by function coefficients.The use of coefficients is the most practical way of analysis.     

DETECTING AND ADJUSTING FOR NON-LINEARITIES IN CALIBRATION OF NEAR-INFRARED DATA USING PRINCIPAL COMPONENTS

A new regression method for non-linear near-infrared spectroscopic data is proposed.The technique isbased on a model which is linear in the principal components and simple functions(squares and products)of them.Added variable plots are used to determine which squares and products to incorporate into themodel.The regression coefficients are estimated by a Stein estimate which shrinks towards the estimatedetermined by the first several principal components and the selected non-linear terms.The technique isnot computationally intensive and is appropriate for routine predictions of chemical concentrations.Themethod is tested on three data sets and in all cases gives more accurate predictions than does linearprincipal components regression.     

CHARACTERISTICS OF Sq VARIATION OF GEOMAGNETIC FIELD AT THE GREAT WALL STATION, ANTARCTICA IN WINTER

In this paper the characteristics of Sq variation of geomagnetic field in the region of the Chinese Great Wall Station (CGWS), Antarctica, in winter are analyzed from geomagnetic data obtained at the Geomagnetic Observatory of CGWS. The result enables us to reveal the following aspects: (1) The pattern of Sq variation at CGWS in early (Apr.) and Late winter (Sep.) is similar to that at Beijing Geomagnetic Observatory (BJO) at the middle latitude in the Northern Hemisphere. It may be controlled by the midlatitudinal ionospheric dynamo current. Amplitude of Sq variation is very small, and the harmonics in 8 hours or shorter periods in midwinter (June and July) is predominant because of the decreased effect of solar ultraviolet radiation and the dominant geomagnetic disturbance at high latitudes. (2) The vectors of Sq-equivalent current in the daytime are about five times more than that in the night. The direction of the vectors is clockwise in the daytime (08-15h) and counterclockwise in the night in earl