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Search results for: spectroscopy methods
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Correction methods in impedance spectroscopy
PublicationW pracy przedstawiono trzy grupy metod, ktÓre mogą być zastosowane do korekcji danych pomiarowych uzyskanych za pomoca spektroskopii impedancyjnej.
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Integrating Optical Spectroscopy and Chemometric Methods
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Spectroscopy Methods in Nanotechnology 2023
e-Learning CoursesCourse for 2nd degree Students of Nanotechnology, specialization Nanostructures and computer simulations in materials science, sem. 2. The aim of the course is to discuss the basic theoretical and practical issues of spectroscopy and presentation of the various types of spectroscopic methods and ways to interpret spectra, with particular attention paid to the possibility of their use in the study of nanostructured systems.
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Spectroscopy Methods in Nanotechnology 2022
e-Learning CoursesCourse for 2nd degree Students of Nanotechnology, specialization Nanostructures and computer simulations in materials science, sem. 2. The aim of the course is to discuss the basic theoretical and practical issues of spectroscopy and presentation of the various types of spectroscopic methods and ways to interpret spectra, with particular attention paid to the possibility of their use in the study of nanostructured systems.
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Spectroscopy Methods in Nanotechnology 2024
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Spectroscopy Methods in Nanotechnology - laboratory 2022
e-Learning CoursesCourse for 2nd degree Students of Nanotechnology, specialization Nanostructures and computer simulations in materials science, sem. 2.
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Spectroscopy Methods in Nanotechnology - laboratory 2023
e-Learning CoursesCourse for 2nd degree Students of Nanotechnology, specialization Nanostructures and computer simulations in materials science, sem. 2.
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Spectroscopy Methods in Nanotechnology - laboratory 2024
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Inspection of protective linings using microwave spectroscopy combined with chemometric methods
PublicationOpisano nowa niedestrukcyjna metodę kontroli jakości nowych wykładzin ochronnych na podłożu metalowym oraz oceny ich stanu w trakcie eksploatacji przy zastosowaniu spektroskopii mikrofalowej w szerokim zakresie częstotliwości od 6,5 do 13 GHz. Uzyskane dane pomiarowe dodane zostały obróbce chemometrycznej w celu redukcji ilości danych doświadczalnych i wizualizacji rezultatów. Przedstawiono podstawy teoretyczne metody oraz wyniki...
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Characterizing Interactions Between Small Peptides and Dimethyl Sulfoxide Using Infrared Spectroscopy and Computational Methods
PublicationThis study provides a comprehensive analysis of the interactions between dimethyl sulfoxide (DMSO) and two small peptides, diglycine and N-acetyl-glycine-methylamide (NAGMA), in aqueous solutions using FTIR spectroscopy and density functional theory (DFT) calculations. ATR-FTIR spectroscopy and DFT results revealed that DMSO does not form direct bonds with the peptides, suggesting that DMSO indirectly influences both peptides by...
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Conformational studies of vasopressin and mesotocin using NMR spectroscopy and molecular modelling methods. Part I: studies in water
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Comparison of near infrared spectroscopy (NIRS) and near-infrared transillumination-backscattering sounding (NIR-T/BSS) methods
PublicationThe aim of the study was to compare simultaneously recorded a NIR-T/BSS and NIRS signals from healthy volunteers. NIR-T/BSS is a device which give an ability to non-invasively detect and monitor changes in the subarachnoid space width (SAS). Experiments were performed on a group of 30 healthy volunteers (28 males and 2 females, age 30.8 ± 13.4 years, BMI = 24.5 ± 2.3 kg/m2). We analysed recorded signals using analysis methods based...
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Conformational studies of vasopressin and mesotocin using NMR spectroscopy and molecular modelling methods. Part II: studies in the SDS micelle
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Combined Spectroscopic Methods of Determination of Density of Electronic States: Comparative Analysis of Diffuse Reflectance Spectroelectrochemistry and Reversed Double-Beam Photoacoustic Spectroscopy
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Conformational Studies of [11è12(CN4)]ScyII and [15è16(CN4)]ScyII? Two Scyliorhinin II Analogues by means of 2D NMR Spectroscopy and Theoretical Methods
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Noise in biological Raman spectroscopy
PublicationRaman spectroscopy is a widely used method to investigate chemical molecules by analyzing their vibrational transitions. It utilizes inelastic scattering of the laser light irradiating the investigated object. The scattered light requires appropriate filtering to reduce dominant laser light and expose much weaker components having shifted wavelengths of a characteristic spectral pattern. These components are measured by dispersing...
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Maciej Wróbel dr inż.
PeopleReceived PhD from Gdańsk University of Technology in 2019. Research interests involve non-invasive applications of Raman spectroscopy for tissue analysis, specifically blood parameters measurements. Tissue mimicking phantoms, measurement of optical properties (scattering, absorption), as well as other optical sensing methods. Raman spectroscopy and surface-enhanced Raman spectroscopy (SERS) utilized for measurements of biological...
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Theory and application of Near-infrared spectroscopy
PublicationIn recent years one can observe a significant increase in the requirements on quality control in all industrial sectors. The growing number of involved analyses makes the traditional, time consuming, requiring use of large quantities of reagents, thus expansive methods inconvenient especially for industrial applications. Fortunately, there is a very fast, cheap and not invasive analytical method that is increasingly used in qualitative...
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Anatomy of noise in quantitative biological Raman spectroscopy
PublicationRaman spectroscopy is a fundamental form of molecular spectroscopy that is widely used to investigate structures and properties of molecules using their vibrational transitions. It relies on inelastic scattering of monochromatic laser light irradiating the specimen. After appropriate filtering the scattered light is dispersed onto a detector to determine the shift from the excitation wavelength, which appears in the form of...
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Noise sources in Raman spectroscopy of biological objects
PublicationWe present an overview of noise sources deteriorating the quality of the recorded biological Raman spectra and the ability to determine the specimen composition. The acquired Raman spectra exhibit intense additive noise components or drifts because of low intensity of the scattered light. Therefore we have to apply expensive or bulky measurement setups to limit their inherent noise or to apply additional signal processing to reduce...
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Mid-infrared spectroscopy for characterization of Baltic amber (succinite)
PublicationNatural Baltic amber (succinite) is the most appreciated fossil resin of the rich cultural traditions dating back to prehistoric times. Its unequivocal identification is extremely important in many branches of science and trades including archeology, paleontology, chemistry and finally mineralogical and gemological societies. Current methods of modification of natural succinite are more and more sophisticated making the identification...
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Noise and Electro-Ultrasonic Spectroscopy of Conducting PolymerThick Films
PublicationThick conducting films based on conducting polymer are characterized by DC conductivity and noise in temperature range 10 to 300 K. Conducting polymers could be used e.g. for the top electrode (cathode) in the solid tantalum or niobium capacitors. On the conducting polymer layer the top layer of carbon/graphite and/or silver polymer based pastes is applied in the capacitor technology. Our samples structure consists of conducting...
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The Optical Coherence Tomography and Raman Spectroscopy for Sensing of the Bone Demineralization Process
PublicationThe presented research was intended to seek new optical methods to investigate the demineralization process of bones. Optical examination of the bone condition could facilitate clinical trials and improve the safety of patients. The authors used a set of complementary methods: polarization-sensitive optical coherence tomography (PS-OCT) and Raman spectroscopy. Chicken bone samples were used in this research. To stimulate in laboratory...
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Determination of the active ingredient in pharmaceutical gel formulation by NIR spectroscopy
PublicationPharmaceuticals of their intended must be thoroughly controlled. The traditional analytical methods are very costly and time consuming. NIR spectroscopy allows to analyze pharmaceutical materials very quickly and with very low costs. First pharmaceutical applications of the NIR spectroscopy appeared with some incuriosity in the late 1960s. Application of NIR in the contemporary pharmaceutical industry is very large. The most common...
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Utilizing pulse dynamics for non-invasive Raman spectroscopy of blood analytes
PublicationNon-invasive measurement methods offer great benefits in the field of medical diagnostics with molecular-specific techniques such as Raman spectroscopy which is increasingly being used for quantitative measurements of tissue biochemistry in vivo. However, some important challenges still remain for label-free optical spectroscopy to be incorporated into the clinical laboratory for routine testing. In particular, non-analyte-specific...
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Electrochemical Evaluation of Sustainable Corrosion Inhibitors via Dynamic Electrochemical Impedance Spectroscopy
PublicationFinding suitable measurement methods for the effective management of electrochemical problems is of paramount importance, particularly for improving efficiency in corrosion protection. The need for accurate measurement techniques specific to nonstationary conditions has long been recognized, and promising approaches have emerged. This chapter introduces dynamic electrochemical impedance spectroscopy as a novel advancement in electrochemistry...
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FTIR, Raman spectroscopy and HT-XRD in compatibility study between naproxen and excipients
PublicationDetection of incompatibility between an active pharmaceutical ingredient (API) and excipients, including the selection of the most biopharmaceutical advantageous excipients is extremely important in the pre-formulation process of developing a solid dosage form technology. Therefore, having fast and reliable methods for identifying incompatibility is fundamental in pharmaceutical technology. For this purpose, combined Fourier transform...
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DETERMINATION OF SP3 FRACTION IN ta-C COATING USING XPS AND RAMAN SPECTROSCOPY
PublicationThe paper presents results of studies on the structure of tetrahedral amorphous carbon films (ta-C) with a thickness in the range from 20 to 280 nm, deposited using pulsed vacuum arc technique with an electromagnetic Venetian blind plasma filter. The results of the phase structure analysis, obtained using visible Raman spectroscopy and UV Raman spectroscopy methods, showed a strong dependence of the results on the presence, on...
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Non-invasive blood glucose monitoring with Raman spectroscopy: prospects for device miniaturization
PublicationThe number of patients with diabetes has reached over 350 million, and still continues to increase. The need for regular blood glucose monitoring sparks the interest in the development of modern detection technologies. One of those methods, which allows for noninvasive measurements, is Raman spectroscopy. The ability of infrared light to penetrate deep into tissues allows for obtaining measurements through the skin without its...
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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublicationDensity functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFTMD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in...
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Application of Galvanostatic Non-Linear Impedance Spectroscopy to the Analysis of Metallic Material Degradation
PublicationThis study presents a novel application of Non-Linear Electrochemical Impedance Spectroscopy (NLEIS) in galvanostatic mode for the rapid, non-destructive assessment of metal degradation. By using galvanostatic mode instead of traditional potentiostatic methods, polarization-related challenges are mitigated, enabling more accurate and reliable analysis. The technique allows for the determination of corrosion rates (corrosion current)...
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Hydration of aprotic donor solvents studied by means of FTIR spectroscopy
PublicationThe paper attempts to explain the mutual influence of nonpolar and electron-donor groups on solute hydration,the problem of big importance for biological aqueous systems. Aprotic organic solvents have been used asmodel solutes, differing in electron-donating power. Hydration of acetonitrile, acetone, 2-butanone, andtriethylamine has been studied by HDO and (partially) H2O spectra. The quantitative version of...
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Detection of Denatonium Benzoate (Bitrex) Remnants in Noncommercial Alcoholic Beverages by Raman Spectroscopy
PublicationIllegal alcoholic beverages are often introduced into market using cheap technical alcohol, which is contaminated by denatonium benzoate (Bitrex) of very small concentration. Bitrex is the most bitter chemical compound and has to be removed before alcohol consumption. The home-made methods utilize sodium hypochlorite to disintegrate particles of denatonium benzoate in alcohol and to remove bitter taste before trading. In this experimental...
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Colored Tattoo Ink Screening Method with Optical Tissue Phantoms and Raman Spectroscopy
PublicationDue to the increasing popularity of tattoos among the general population, to ensure their safety and quality, there is a need to develop reliable and rapid methods for the analysis of the composition of tattoo inks, both in the ink itself and in already existing tattoos. This paper presents the possibility of using Raman spectroscopy to examine tattoo inks in biological materials. We have developed optical tissue phantoms mimicking...
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Combined analysis of whole human blood parameters by Raman spectroscopy and spectral-domain low-coherence interferometry
PublicationIn this article the simultaneous investigation of blood parameters by complementary optical methods, Raman spectroscopy and spectral-domain low-coherence interferometry, is presented. Thus, the mutual relationship between chemical and physical properties may be investigated, because low-coherence interferometry measures optical properties of the investigated object, while Raman spectroscopy gives information about its molecular...
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Dissolution of Nb-doped hydroxyapatite prepared via low-temperature mechanochemical method: Spectroscopy studies
PublicationCalcium phosphate glass ceramics with nominal hydroxyapatite stoichiometry doped with niobium were synthesized using simple as well as low-temperature mechanochemical method and then in the form of compressed pellet were submitted to the static dissolution process in distilled water for one month. The results of structural analysis, performed mainly on the base of spectroscopic methods such as: infrared absorption spectroscopy,...
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Mössbauer Spectroscopy and Magnetoelectric Effect Studies of Multiferroic Ceramics Based on BiFeO<sub>3</sub>
PublicationIn this work the results of investigations for (BiFeO3)x(BaTiO3)1-x and Bi1-xNdxFeO3 solid solutions are described. Samples were prepared by the conventional solid-state sintering method. X-ray diffraction, 57Fe Mössbauer spectroscopy, and magnetoelectric effect measurements were applied as complementary methods to determine the structure and magnetic properties of materials. For (BiFeO3)x(BaTiO3)1-x solid solutions Mössbauer...
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Three modes of electrochemical impedance spectroscopy measurements performed on vanadium redox flow battery
PublicationThis article presents an innovative approach to monitor working redox flow batteries using dynamic electrochemical impedance spectroscopy, diverging from the commonly sequential impedance methods carried out under potentiostatic or galvanostatic conditions close to the open circle voltage. The authors introduce a fresh variation of dynamic impedance measurement that leverages an amplitude-modulated multi-frequency alternating current...
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Corrosion resistance evaluation of Al-based alloys by means of dynamic electrochemical impedance spectroscopy
PublicationW pracy przedstawiono wyniki badań stopów aluminium wykonane za pomocą dynamicznej elektrochemicznej spektroskopii. Na podstawie uzyskanych widm impedancyjnych zostały pokazane zmiany parametrów elektrycznego schematu zastępczego z potencjałem. Stwierdzono, że dodatek magnezu do badanego stopu obniża właściwości przeciwkorozyjne stopu.
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Corrosion resistance evaluation of Al‐based alloys by means of dynamic electrochemical impedance spectroscopy
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Kazimierz Darowicki prof. dr hab. inż.
PeopleStudia wyższe ukończyłem w czerwcu 1981 roku po zdaniu egzaminu dyplomowego i obronie pracy magisterskiej. Opiekunem pracy magisterskiej był dr hab. inż. Tadeusz Szauer. W roku 1991, 27 listopada uzyskałem stopień naukowy broniąc pracę doktorską zatytułowaną „Symulacyjna i korelacyjna analiza widm immitancyjnych inhibitowanej reakcji elektrodowej”. Promotorem pracy był prof. dr hab. inż. Józef Kubicki (Wydział Chemiczny...
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Analysis of friction ridge evidence for trace amounts of paracetamol in various pharmaceutical industries by Raman spectroscopy
PublicationThe detection of potentially harmful substances presents a multifaceted challenge. On one hand, it can directly save lives, on the other, it can significantly aid and enhance police work, thereby increasing the effectiveness of investigations. The research conducted in this study primarily aims to identify paracetamol in fingerprints, considering situations involving direct contact of a person with paracetamol either chronically...
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Discrimination of Apple Liqueurs (Nalewka) Using a Voltammetric Electronic Tongue, UV-Vis and Raman Spectroscopy
PublicationThe capability of a phthalocyanine-based voltammetric electronic tongue to analyze strong alcoholic beverages has been evaluated and compared with the performance of spectroscopic techniques coupled to chemometrics. Nalewka Polish liqueurs prepared from five apple varieties have been used as a model of strong liqueurs. Principal Component Analysis has demonstrated that the best discrimination between liqueurs prepared from different...
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A Probe into the Corrosion Behavior of a WE43B Magnesium Alloy in a Simulated Body Fluid using Dynamic Electrochemical Impedance Spectroscopy
PublicationWE43B is one of the newest Mg alloys with practical application in biomedical implant technology. This work attempts to scrutinize the corrosion characteristics of WE43B alloy in a simulated body fluid (SBF) at a typical body temperature. The dynamic-electrochemical impedance spectroscopy with the capacity to track changes on surfaces in a dynamic corrosive system is used in combination with other classical techniques namely, linear...
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Application of vibrational spectroscopy, thermal analyses and X-Ray diffraction in the rapid evaluation of the stability in solid-state of ranitidine, famotidine and cimetidine
PublicationThis paper reports the study on applicability of Fourier transform infrared (FTIR), near-infrared (NIR) and Raman spectroscopy, differential scanning calorimetry (DSC) and X-ray diffraction (XRD) for the estimation of the chemical stability and photostability of histamine H2-receptor antagonist substances. Ranitidine hydrochloride (RAN), famotidine (FAM) and cimetidine (CIM) were tested and differences in sensitivity were measured...
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Detection of the Plant Pathogen Pseudomonas Syringae pv. Lachrymans on Antibody-Modified Gold Electrodes by Electrochemical Impedance Spectroscopy
PublicationThe present work describes an impedimetric immunosensor for Pseudomonas syringae pv. lachrymans (Psl) detection. This pathogen infects many crop species causing considerable yield losses, thus fast and cheap detection method is in high demand. In the assay, the gold disc electrode was modified with 4-aminothiophenol (4-ATP), glutaraldehyde (GA), and anti-Psl antibodies, and free-sites were blocked with bovine serum albumin (BSA)....
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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublicationThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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Resonant ultrasonic spectroscopy in high-voltage varistor spectroscopy
PublicationResonant spectroscopy is an effective non-destructive testing method focused on defects in tested objects. The testing procedure, based on the resonant pattern, allows rejection of the tested samples with defects which do not fit the pattern. A sweeping frequency method has been used to measure the spectrum of resonances in high-voltage varistors. As a result we can observe resonances that depend directly on inhomogeneity of the...
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Comparative X-ray diffraction and Mössbauer spectroscopy studies of BiFeO3 ceramics prepared by conventional solid-state reaction and mechanical activation
PublicationThe aim of this work was to prepare BiFeO3 by modified solid-state sintering and mechanical activation processes and to investigate the structure and hyperfine interactions of the material. X-ray diffraction and Mössbauer spectroscopy were applied as complementary methods. In the case of sintering, BiFeO3 phase was obtained from the mixture of precursors with 3 and 5 % excess of Bi2O3 during heating at 1023 K. Small amounts of...
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Anticarcinogenic and antioxidant activities of leaves and flowers hydroalcoholic extracts of Nerium oleander L.: PCA analysis and phytochemical content by FTIR spectroscopy
PublicationAims: The aim of this work is the evaluation the anticarcinogenic effect on HT29 cancer cells lines and antioxidant effect of three extracts from different morphological parts (leaves (LE), pink flowers (PFE) and white flowers (WFE)) of Nerium oleander lin. Methods: This research provides the anticarcinogenic activity of extracts from N. oleander white flowers. Principal Component Analysis (PCA) was applied to estimate the relationship...