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Search results for: ANALYTICAL CHEMSITRY
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Selected analytical challenges in the determination of pharmaceuticals in drinking/marine waters and soil/sediment samples
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Analytical Techniques for Determining Pharmaceutical Residues in Drinking Water – State of Art and Future Prospects
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The influence of the thickness, recombination and space charge on the loss of photocurrent in organic semiconductors: an analytical model
PublicationWe propose an analytical model of the photocurrent efficiency dependence on the light intensity in organic semiconductors. The influence of the thickness of sample, space charge effects and recombination of charge on the loss of photocurrent has been considered. We demonstrate that the presented model is the enhancement of an analytical model reported recently by Rappaport et al (2005 J. Appl. Phys. 98 033714). The method to identify...
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Trends in edible vegetable oils analysis. Part B. Application of different analytical techniques
PublicationW publikacji przeglądowej przedstawiono najnowsze osiągnięcia w instrumentalnej analizie olejów roślinnych. Dotychczas w ocenie stabilności oksydatywnej stosuje się różne metody analityczne, jednak nie są one wystarczające. Dlatego ciągle istnieje potrzeba rozwoju nowych łączonych technik, które umożliwią lepszą kontrolę jakości olejów. Publikacja przedstawia zarówno techniki przygotowywania próbek do analiz jak i metody instrumentalne...
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Analytical Traffic Model for a Multidomain IMS/NGN Network Including Service and Transport Stratum
PublicationThis paper addresses the problem of modelling call processing performance (CPP) in a multidomain Next Generation Network (NGN) architecture including the elements of the IP Multimedia Subsystem (IMS) in service stratum and based on the Multiprotocol Label Switching (MPLS) technology in transport stratum. An analytical traffic model for such an architecture is proposed by integrating the formerly implemented submodels of service...
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Pre-analytical aspects in metabolomics of human biofluids – sample collection, handling, transport, and storage
PublicationMetabolomics is the field of omics research that offers valuable insights into the complex composition of biological samples. It has found wide application in clinical diagnostics, disease investigation, therapy prediction, monitoring of treatment efficiency, drug discovery, or in-depth analysis of sample composition. A suitable study design constitutes the fundamental requirements to ensure robust and reliable results from the...
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Simple analytical method for total biogenic amines content determination in wine using a smartphone
PublicationA simple, fast, and green smartphone-based procedure for total biogenic amines content determination in wine was developed and validated. Sample preparation and analysis were simplified to make the method suitable for routine analyses even in resource-scarce settings. The commercially available S0378 dye and smartphone-based detection were used for this purpose. The developed method has satisfactory figures of merit for putrescine...
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Multicriteria Decision Analysis and Grouping of Analytical Procedures for Phthalates Determination in Disposable Baby Diapers
PublicationThis study presents the application of one of the tools from the multicriteria decision analysis set (MCDA), the Technique for Order Preference by Similarity to Ideal Solution (TOPSIS). Selected green analytical chemistry metrics were used to rank analytical procedures for the phthalate determination in disposable baby diapers. Nine analytical procedures were assessed in order to find one that has the lowest environmental impact...
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Analytical techniques for trace organic compounds-III: Mass spectrometry in trace organic analysis
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Analytical method for calculation of heat source temperature drop for the Organic Rankine Cycle application
PublicationIn the paper presented are considerations on the cooperation of the limited capacity heat source with the Organic Rankine Cycle unit. Usually the heat source providing thermal energy to the Organic Rankine Cycle (ORC) may have twofold characteristics. It can be in the form of a single phase fluid, i.e. as hot exhaust gas or hot liquid, or in some cases it may be available as a phase changing fluid, as for example, technological...
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Analytical aspects of model compounds toxicity assessment using MTT and Microtox bioanalytica assays
PublicationMore and more increased intensity of anthropopressure processes can be observed, among other things, in the release of great quantities of synthetic substances into the environment, including the Endocrine Disrupting Compounds. The effects of the above-mentioned human impact on the environment not only can be noticed in the homeostasis disturbance in ecosystems, but they are also visible with respect to human. The high incidence...
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Computational modeling of molecularly imprinted polymers as a green approach to the development of novel analytical sorbents
PublicationThe development of novel molecularly imprinted polymers (MIP) sorbents for specific chemical compounds require a lot of tedious and time-consuming laboratory work. Significant quantities of solvents and reagents are consumed in the course of the verification of appropriate configurations of polymerization reagents. Implementation of molecular modeling in the MIP sorbent development process appears to provide a solution to this...
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Quality Assurance and Quality Control in the Analytical Chemical Laboratory. A practical approach : Second edition
PublicationThe second edition defines the tools used in QA/QC, especially the application of statistical tools during analytical data treatment. Clearly written and logically organized, it takes a generic approach applicable to any field of analysis. The authors begin with the theory behind quality control systems, then detail validation parameter measurements, the use of statistical tests, counting the margin of error, uncertainty estimation,...
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Analytical procedures for short chain chlorinated paraffins determination - How to make them greener?
PublicationThe aim of the following paper was to gather current scientific information about the analytical protocols dedicated to measuring the content level of short-chain chlorinated paraffins (SCCPs) in various types of environmental samples. Moreover, the data about the basic validation parameters of applied procedures for SCCPs determination are listed. The main issue which is highlighted in the paper is the possibility of the application...
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Analytical calculations of scattering lengths for a class of long-range potentials of interest for atomic physics
PublicationWe derive two equivalent analytical expressions for an $l$th partial-wave scattering length $a_{l}$ for central potentials with long-range tails of the form % \begin{math} \displaystyle V(r)=-\frac{\hbar^{2}}{2m}\frac{Br^{n-4}}{(r^{n-2}+R^{n-2})^{2}} -\frac{\hbar^{2}}{2m}\frac{C}{r^{2}(r^{n-2}+R^{n-2})}, \end{math} % ($r\geqslant r_{s}$, $R>0$). % For $C=0$, this family of potentials reduces to the Lenz potentials discussed in...
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Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol
PublicationThe electronic spectrum of alizarin (AZ) in methanol solution was measured and used as reference data for color prediction. The visible part of the spectrum was modelled by different DFT functionals within the TD-DFT framework. The results of a broad range of functionals applied for theoretical spectrum prediction were compared against experimental data by a direct color comparison. The tristimulus model of color expressed in terms...
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Study of a Flame Kernel Evolution in a Turbulent Mixing Layer Using LES with a Laminar Chemistry Model
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Tri(mesityloxy)silanethiol - The First Structurally CharacterizedOrganoxysilanethiol (Contributions to the Chemistry of Silicon-SulfurCompounds. 77 [1])
PublicationTri(mezytyloksy)silanotiol (TMST) wyizolowano jako jedyny produkt reakcji pomiędzy disiarczkiem krzemu a 2,4,6-trimetylofenolem. TMSTkrystalizuje w układzie trójskośnym. Dobra jakość kryształów pozwoliła na udokładnienie grupy SH bez narzuconych więzów. Długość wiązania S-H określono na 1,29(4) ang., a kąt Si-S-H na 95,4(17) deg. Cząsteczki TMST nie tworzą wiązań wodorowych w kryształach.
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A Case Study on the Desired Selectivity in Solid‐State Mechano‐ and Slow‐Chemistry, Melt, and Solution Methodologies
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In-Out Surface Modification of Halloysite Nanotubes (HNTs) for Excellent Cure of Epoxy: Chemistry and Kinetics Modeling
PublicationIn-out surface modification of halloysite nanotubes (HNTs) has been successfully performed by taking advantage of 8-hydroxyquinolines in the lumen of HNTs and precisely synthesized aniline oligomers (AO) of different lengths (tri- and pentamer) anchored on the external surface of the HNTs. Several analyses, including FTIR, H-NMR, TGA, UV-visible spectroscopy, and SEM, were used to establish the nature of the HNTs’ surface engineering....
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An investigation on the chemistry of the R2P=P ligand: reactions of a phosphanylphosphinidene complex of tungsten(VI) with electrophilic reagents
PublicationThe nucleophilic properties of the title compound [(2,6-i-Pr2C6H3N)2(Cl)W(η2-t-Bu2PvP)]Li·3DME (1) were investigated in reactions with selected electrophilic reagents such as MeI, M(CO)5THF (M = Cr, Mo, W), AlCl3, and GaCl3. Methylation of 1 by MeI yields phosphanylphosphido complexes [(2,6-i-Pr2C6H3N)2W(X)(1,2-η-t-Bu2PvP–CH3)] (X = Cl, I) (2-Cl/2-I) with the formation of a new P–C bond. Moreover, 1 reacts with electrophilic compounds...
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Chemistry of human breast milk – a comprehensive review of the composition and role of milk metabolites in child development
PublicationEarly nutrition has an enormous influence on a child's physiological function, immune system maturation and cognitive development. Human breast milk (HBM) is recognized as the gold standard for human infant nutrition. Accordingly to WHO report breastfeeding is consider as an unequalled way of providing ideal food to the infant, which is required for his healthy growth and development. HBM contains various macronutrients (carbohydrates,...
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Analytics of dew and fog samples - problems and challenges
PublicationBadania analityczne próbek mgły i rosy mogą dostarczyć wielu interesujących informacji o stanie powietrza atmosferycznego i procesów, które w nim zachodzą. Badania takie stanowią jednak poważne wyzwanie analityczne m.in. ze względu na: konieczność dysponowania odpowiednimi urządzeniami do pobierania próbek, małe objętości próbek jakie udaje się zebrać w określonym czasie, co w istotnym stopniu determinuje wybór techniki ich przygotowania...
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Platinum group elements: a challenge for environmental analytics
PublicationW pracy opisano problemy związane z analityką platynowców (Platinum Group Elements - PGE) w próbkach środowiskowych (kurz uliczny, materia zawieszona, gleba i osady denne, wody, ścieki, próbki biologiczne). Scharakteryzowano poszczególne etapy procedury analitycznej mogące być źródłem błędów oraz powodować szereg trudności. Opisano sposoby pobierania, przechowywania i utrwalania próbek przeznaczonych do badań. Przedstawiono również...
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Bioaccumulation and analytics of pharmaceutical residues in the environment: A review
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Current air quality analytics and monitoring: A review
PublicationThis review summarizes the different tools and concepts that are commonly applied in air quality monitoring. The monitoring of atmosphere is extremely important as the air quality is an important problem for large communities. Main requirements for analytical devices used for monitoring include a long period of autonomic operation and portability. These instruments, however, are often characterized by poor analytical performance....
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Big Data Analytics for ICT Monitoring and Development
PublicationThe expanded growth of information and communication technology has opened new era of digitization which is proving to be a great challenge for researchers and scientists around the globe. The utmost paradigm is to handle and process the explosion of data with minimal cost and discover relevant hidden information in the least amount of time. The buzz word “BIG DATA” is a widely anticipated term with the potential to handle heterogeneous,...
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Approximate analytical boundary conditions for efficient finite difference frequency domain simulations in cylindrical coordinates
PublicationW artykule zaprezentowano prostą technikę analizy rezonatora otwartego. Algorytm łączy w sobie metodę różnic skończonych i rozwinięć funkcyjnych , umożliwiając implementację warunków brzegowych symulujących otwartą przestrzeń. Metoda testowana była w analizie rezonatorów o różnych wymiarach,a otrzymane wyniki dobrze zgadzały się z rezultatami innych metod.
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Analytical-numerical approach to solve the transport equation for steady gradually varied flow in open channel
PublicationW pracy przedstawiono metodę rozwiązania równania transportu adwekcyjno-dyfuzyjnego w przypadku ustalonego niejednostajnego przepływu w kanałach otwartych. Metoda wykorzystuje technikę dekompozycji. Do rozwiązania równania adwekcji-dyfuzji zastosowano analityczne rozwiązanie w postaci odpowiedzi impulsowej liniowego równania adwekcji-dyfuzji. Dokonano adaptacji metody dla przypadku ze zmiennymi parametrami. Do rozwiązania drugiej...
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Analytical and experimental determination of parameters for the non-linear viscoelastic model of earthquake-induced structural pounding
PublicationNieliniowy model lepko-sprężysty umożliwia dokładną symulację siły zderzenia w czasie oraz symulację odpowiedzi konstrukcji podatnej na zderzanie podczas trzęsień ziemi. Jednym z celów niniejszego artykułu jest wyprowadzenie wzoru na zależność pomiędzy liczbą tłumienia zderzenia (parametr wspomnianego modelu), a współczynnikiem odbicia. Kolejnym celem jest wyznaczenie zakresu wartości współczynników odbicia oraz współczynników...
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Analytical studies on ascosin, candicidin and levorin multicomponent antifungal antibiotic complexes. The stereostructure of ascosin A2
PublicationIn the class of polyene macrolides, there is a subgroup of aromatic heptaenes, which exhibit the highest antifungal activity within this type of antibiotics. Yet, due to their complex nature, aromatic heptaenes were not extensively studied and their potential as drugs is currently underexploited. Moreover, there are many inconsistencies in the literature regarding the composition and the structures of the individual components...
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Importance of sign conventions on analytical solutions to the wave-induced cyclic response of a poro-elastic seabed
PublicationThis paper discusses the influence of different sign conventions for strains and stresses, i.e. the solid mechanics sign convention and the soil mechanics sign convention, on the form of governing partial differential equations (the static equilibrium equations and the continuity equation) used to describe the wave-induced cyclic response of a poro-elastic seabed due to propagation of a sinusoidal surface water-wave. Some selected...
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COMMENTS ON EXISTING ANALYTICAL SOLUTIONS TO THE WAVE-INDUCED CYCLIC RESPONSE OF A POROUS SEABED OF INFINITE THICKNESS
PublicationThis paper deals with the wave-induced cyclic response of a porous seabed (by means of oscillating parameters: pore-fluid pressure, soil displacement components, effective normal stress and shear stress components) due to a surface sinusoidal water-wave propagating over a seabed of infinite thickness. The main existing analytical solutions to the governing problem are critically discussed, pointing out their meaningful errors and...
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Application of sublation and two phase titration methods for analytical of surfactants in AFFF fire-fighting foams
PublicationCelem badań była próba opracowania odpowiedniej metody izolacji ze ścieków fluorowanych związków powierzchniowo czynnych FZPC do celów analitycznych, a także metody ich ilościowego oznaczania. W badaniach polegających na oznaczaniu stężenia FZPC w oparciu o miareczkowanie w układzie dwufazowym: woda/chloroform użyto Hyaminy 1622, jako titranta oraz błękitu metylenowego, jako wskaźnika. Kolejnym etapem badań była izolacja ZPC z...
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Understanding element composition of medicinal plants used in herbalism—A case study by analytical atomic spectrometry
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Green, simple analytical method for total biogenic amines content determination in wine using spectrophotometry
PublicationA simple, green and equitable procedure for total biogenic amines (BAs) content determination was developed. The scientific novelty lies in the use of commercially available S 0378 dye, the reaction of which with BAs results in a colour change of the solution. Sample preparation and analysis were simplified to make the method suitable for routine analyses even in resource-scarce settings. The optimization of the method was carried...
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Experimental and analytical analysis of punching shear in flat slabs supported on column topped with concrete head
PublicationAn experimental laboraatory test of the two series of slab-column elements topped with drop panels of varying sizes is described in this paper. The scope of the paper is to investigate the influence of the drop panel size and stiffness on the behaviour of the connection between the flat slab and the column topped by the concrete head. The impact of the head size and stiffness is analysed analytically and experimentally. The experimental...
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Deep eutectic solvents in analytical sample preconcentration Part B: Solid-phase (micro)extraction
PublicationOne of the key challenges of modern analytical chemistry is the monitoring of trace amounts of contaminants using sensitive and selective instrumental techniques. Due to the variety and complexity of some samples, it is often necessary to properly prepare a sample and to perform a preconcentration of trace amounts of analytes. In line with the principles of Green Analytical Chemistry (GAC), it is important for an analytical procedure...
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Analytical ‘Steady-State’-Based Derivation and Clarification of the Courant-Friedrichs-Lewy Condition for Pipe Flow
PublicationThis article addresses the problem of choosing the optimal discretization grid for emulating fluid flow through a pipeline. The aggregated basic flow model is linearized near the operating point obtained from the steady state analytic solution of the differential equations under consideration. Based on this model, the relationship between the Courant number (μ) and the stability margin is examined. The numerically set coefficient...
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Hasse diagram as a green analytical metrics tool: ranking of methods for benzo[a]pyrene determination in sediments
PublicationThis study presents an application of the Hasse diagram technique (HDT) as the assessment tool to select the most appropriate analytical procedures according to their greenness or the best analytical performance. The dataset consists of analytical procedures for benzo[a]pyrene determination in sediment samples, which were described by 11 variables concerning their greenness and analytical performance. Two analyses with the HDT...
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Analytical procedures for quality control of pharmaceuticals in terms of residual solvents content: Challenges and recent developments
PublicationResidual solvents play an important role in the synthesis of drugs and in product formulations. In addition, they pose a serious problem, that is toxicity, as many of them exhibit toxic or environmentally hazardous properties. Therefore, constant monitoring of quality control is needed. In this study, we present an overview of regulatory and general methods described by various pharmacopoeias. Then, the most commonly used methodologies...
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The use of selected analytical techniques for pollutants determination in the environmental samples collected from the Arctic regions
PublicationThe paper concern importance of the use of analytical techniques for pollutants determination in the Arctic based on the example of total organic carbon, phenolsandformaldehyde determinationandmeasurementofpHand electrical conductivity parameters in surfacewater samples collected fromthe Revelva catchment.
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House dust as a source of analytical information on concentration of polybrominated diphenyl ethers (PBDEs) - first approach
PublicationPolybrominated diphenyl ethers (PBDEs), which are best recognized as flame retardants, were in 2001, by virtue of Stockholm Convention, listed in a group of Persistent Organic Compounds (POPs). Increasing concentration levels of PBDEs, reported in human tissues (e.g., blood, serum, breast milk, etc.) haverecently caught worldwide concern due to their potential tendency to disrupt thyroid hormones, neurobehavioral deficits and endocrine...
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Analytical comparison between capacitor assisted and diode assisted cascaded quasi-z-source inverters
PublicationQuasi-Z falownik z prostym obwodem impedancyjnym jest bardzo interesującym rozwiązaniem topologicznym ze względu na unikalną możliwość jednostopniowego przekształcanie DC/AC w połączeniu z funkcjami obniżania i podwyższania napięcia. W niektórych aplikacjach jego właściwości podwyższające są jednak niewystarczające. Wyższe napięcie wejściowe można uzyskać w wyniku zastosowania w quasi-Z-falownikach kaskadowych obwodów impedancyjnych....
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Main strategies, analytical trends and challenges in LC-MS and ambient mass spectrometry-based metabolomics
PublicationA plethora of analytical LC-MS-based methods have been successfully applied to analyses of complex samples of various origin for metabolomics investigations. Over the last ten years, the substantial evolution of ambient mass spectrometry (AMS) techniques has highlighted their tremendous potential in metabolomic studies due to the minimal sample pretreatment requirement and the ability to analyse samples in their native state. This...
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Novel analytical method for detection of orange juice adulteration based on ultra-fast gas chromatography
PublicationThe food authenticity assessment is an increasingly important issue in food quality and safety. The application of an electronic nose based on ultra-fast gas chromatography technique enables rapid analysis of the volatile compounds from food samples. Due to the fact that this technique provides chemical profiling of natural products, it can be a powerful tool for authentication in combination with chemometrics. In this article,...
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Quasi-analytical Near-to-Far Field Transformation Based on Field Matching Method for Scattering Problems
PublicationA new quasi-analytical near-to-far field transformation based on field matching method (field expansion in a base of Hankel functions) is presented. This approach uses finite element method to obtain near field, then the field is expressed in a base of Hankel functions. The evaluated coefficients allow to calculate the field outside the numerical domain, also in a far distance. The main advantage of the proposed technique is avoiding of...
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Design of serine proteinase inhibitors by combinatorial chemistry using trypsin inhibitor SFTI‐1 as a starting structure
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The chemistry and toxicity of discharge waters from copper mine tailing impoundment in the valley of the Apuseni Mountains in Romania
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Application of linear discriminant analysis to the study of dew chemistry on the basis of samples collected in Poland (2004-2005)
PublicationTechnikę analizy dyskryminacyjnej wykorzystano do klasyfikacji próbek rosy (zebranych w okresie sierpień 2004 - październik 2005 na terenie Gdyni, Gdańska, Mławy, Sopotu, Krakowa, w których oznaczono stężenia wybranych związków nieorganicznych i organicznych) na naturalnie wyłaniające się grupy oraz by zidentyfikować parametry fizykochemiczne odpowiedzialne za podobieństwa i różnice pomiędzy poszczególnymi miejscami pobierania...