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Search results for: FTIR ANALYSIS
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Effect of pyridine extraction on the pyrolysis of a perhydrous coal based on in-situ FTIR analysis
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Solvation phenomena in ternary system tetramethylurea-methylacetamide-water: Insights from volumetric, compressibility and FTIR analysis
PublicationThe properties of the ternary systems N,N,N’,N’-tetramethylurea - N-methylacetamide - water were investigated using Fourier-transform infrared spectroscopy (FTIR), volumetric and compression measurements. Densities and sound velocities were determined in order to obtain the apparent molar volumes (VΦ) and apparent molar isentropic compressions (ΚS,Φ). These values were then extrapolated to infinite dilution. Additionally, interaction parameters...
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Data analysis of FTIR spectra for study of outlet gases of Solid Oxide Fuel Cells fuelled by biogas
PublicationW pracy przedstawiono system umożliwiający połączenie spektroskopii FTIR z specjalnie zaprojektowanym oprogramowaniem w celu uzyskania informacji o stężeniach gazów wylotowych z ogniw paliwowych SOFC. Przebadane zostały główne produkty reformingu biogazu: tlenek węgla, dwutlenek węgla, metan oraz wodór. Opisane oprogramowanie umożliwia w prosty i szybki sposób uzyskanie informacji o gazach wylotowych ogniwa paliwowego.
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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...
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Physicochemical and Volatile Compounds Analysis of Fruit Wines Fermented with Saccharomyces cerevisiae: FTIR and Microscopy Study with Focus on Anti-Inflammatory Potential
PublicationThe growing trend in fruit wine production reflects consumers’ interest in novel, diverse drinking experiences and the increasing demand for healthier beverage options. Fruit wines made from kiwi, pomegranates, and persimmons fermented using S. bayanus Lalvin strain EC1118 demonstrate the versatility of winemaking techniques. Kiwifruit, persimmon, and pomegranate wines were analyzed using HPLC and GC-TOFMS analyses to determine...
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Short Term Monitor of Photodegradation Processes in Ranitidine Hydrochloride Observed by FTIR and ATR FTIR
PublicationThe effects of degradation of ranitidine hydrochloride exposed to UVB radiation (l = 310 nm) and oxygen in a weathering chamber were studied by Fourier Transform Infrared spectroscopy (FTIR) and Attenuated Total Reflectance Fourier Transform Infrared spectroscopy (ATR-FTIR). ATR-FTIR profile indicated that the degradation was spatially heterogeneous. Significant amounts of photoproducts were detected only in a directly...
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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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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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Are stabilizing osmolytes preferentially excluded from the protein surface? FTIR and MD studies
PublicationInteractions between osmolytes and hen egg white lysozyme in aqueous solutions were studied by means of FTIR spectroscopy and molecular dynamics. A combination of difference spectra method and chemometric analysis of spectroscopic data was used to determine the number of osmolyte molecules interacting with the protein, and the preferential interaction coefficient in presented systems. Both osmolytes – L-proline and trimethylamine-N-oxide...
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FTIR spectroscopic and thermogravimetric characterization of ground tyre rubber devulcanized by microwave treatment
PublicationIn this work, the phenomena involved in the microwave devulcanization of ground tyre rubber (GTR) were investigated. Three types of GTR with different content of organic compounds (elastomers, plasticizers, etc.), carbon black and ash have been studied. The chemical structure of GTR before and after a microwave devulcanization process was analyzed by Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA)...
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Interactions in Ternary Aqueous Solutions of NMA and Osmolytes—PARAFAC Decomposition of FTIR Spectra Series
PublicationIntermolecular interactions in aqueous solutions are crucial for virtually all processes in living cells. ATR-FTIR spectroscopy is a technique that allows changes caused by many types of such interactions to be registered; however, binary solutions are sometimes difficult to solve in these terms, while ternary solutions are even more difficult. Here, we present a method of data pretreatment that facilitates the use of the Parallel...
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Characteristics of thermal behavior of photoluminescent copolymers studied by the TG/DTG/FTIR coupled method
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An effective method for studying intermolecular interactions in binary liquids with hydrogen bonds: FTIR spectra and ab initio calculations in the N-methylformamide - methanol system
PublicationMolecular complexes in methanol (MeOH)−N-methylformamide (NMF) mixtures were studied based on their FTIR-ATR spectra, to which two methods of analysis were applied: factor analysis and a quantitative version of the difference-spectra method. The mean composition of a complex between NMF and MeOH molecules over the whole range of mixture compositions was determined. Absorbing species differentiated with regard to the interaction...
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Thermal and spectroscopic profiles variation of cold-pressed raspberry seed oil studied by DSC, UV/VIS, and FTIR techniques
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Quantitative assessment of the main antioxidant compounds, antioxidant activities and FTIR spectra from commonly consumed fruits, compared to standard kiwi fruit
PublicationBioactive compounds (polyphenols and ascorbic acid) and dietary fibers, and related antioxidant activities of commonly consumed apples, bananas, peaches, pears, blond and red grapefruits, pomelos, oranges, lemons, red plums, white grapes, mango, persimmon and strawberries grown in the same geographical and climatic conditions were compared with standard kiwi fruit. The presence of polyphenols was studied by Fourier transform infrared...
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Hydration of tetrahydrofuran derived from FTIR spectroscopy
PublicationZbadano hydratację THF na podstawie spektroskopii FTIR drgań HDO oraz H2O. Dane widmowe poddano analizie przy pomocy ilościowej metody widm różnicowych. Ustalono, że w roztworach rozcieńczonych hydratacja THF typu hydrofobowego dominuje nad hydratacją typu elektrofilowego. Scharakteryzowano wodę w otoczce hydratacyjnej THF poprzez jej porównanie z wodą czystą.
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Study of effect of phosphate and uranium ions on the thermal properties of surfactant-modified natural red clay using TG–FTIR–MS techniques
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Analiza TG-FTIR poliuretanów otrzymanych z glikolizatów
PublicationCelem pracy było zbadanie możliwości wykorzystania glikolizatów otrzymanych w reakcji odpadowej pianki poliuretanowej z 1,3-propanodiolem w syntezie poliuretanów oraz zbadanie budowy i odporności termicznej (TG-FTIR) poliuretanów z glikolizatów.
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Hydration of tetraethylammonium tetrafluorobate derived from FTIR spectroscopy
PublicationZbadano hydratację tetrafluoroboranu tetraetyloamoniowego w roztworze wodnym przy pomocy metody FTIR. Widma HDO rozcieńczonej izotopowo w H2O, jak również widma H2O, analizowano przy pomocy metody ilościowo ważonych widm różnicowych. Wyniki analizy przedyskutowano w aspekcie stanu energetyczo-strukturalnego otoczek hydratacyjnych hydrofobowego kationu Et4N+ oraz silnie burzącego strukturę wody anionu BF4-.7 stron, 4 rys., 2 tabele,...
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FTIR- SPECTROSCOPIC CHARACTERISTICS OF THE DZHAKSY-KLYCH DEPOSIT SALTS
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Proton hydration in aqueous solution: FTIR studies of HDO spectra
PublicationW artykule scharakteryzowano sfery hydratacyjne protonu w roztworze wodnym na podstawie pomiarów widm FTIR wody półciężkiej (HDO), rozcieńczonej izotopowo w H2O. Wyniki eksperymentalne skonfrontowano z obliczonymi metodami chemii kwantowej strukturami niewielkich klasterów wodnych typu H+(H2O)n. Otrzymane geometrie optymalne porównano z odległościami międzyatomowymi otrzymanymi na podstawie położeń pasm HDO. Pierwsza sfera hydratacyjna...
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Hydration of simple amides. FTIR spectra of HDO and theoretical studies
PublicationZastosowano metodę ważonych widm różnicowych do opisu hydratacji amidów w roztworach wodnych: formamidu, N-metyloformamidu, N,N-dimetyloformaidu, acetamidu, N-metyloacetamidu, N,N-dimetyloacetamidu. Narzędziem wspomagającym interpretację wyników eksperymentalnych są struktury agregatów solwatacyjnych wokół cząsteczki substancji rozpuszczonej uzyskane na podstawie obliczeń teoretycznych metodą ab initio z korelacją elektronową...
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Hydration of amino acids: FTIR spectra and molecular dynamics studies
PublicationThe hydration of selected amino acids, alanine, glycine, proline, valine, isoleucine and phenylalanine, has been studied in aqueous solutions by means of FTIR spectra of HDO isotopically diluted in H2O. The difference spectra procedure and the chemometric method have been applied to remove the contribution of bulk water and thus to separate the spectra of solute-affected HDO. To support interpretation of obtained spectral results,...
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Vapor correction of FTIR spectra – A simple automatic least squares approach
PublicationFTIR spectroscopy is one of the best techniques to study intermolecular interactions. However, such an application requires high quality spectra with as little noise as possible, which are often difficult to obtain. One of the main sources of unwanted interference is water vapor. Here a robust method is proposed for automatic, fast and reliable vapor correction of FTIR spectra. The presented least squares approach of vapor subtraction...
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Quantification of Compatibility Between Polymeric Excipients and Atenolol Using Principal Component Analysis and Hierarchical Cluster Analysis
PublicationAn important challenge to overcome in the solid dosage forms technology is the selection of the most biopharmaceutically efficient polymeric excipients. The excipients can be selected, among others, by compatibility studies since incompatibilities between ingredients of the drug formulations adversely affect their bioavailability, stability, efficacy, and safety. Therefore, new, fast, and reliable methods for detecting incompatibility...
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15 N NMR and FTIR studies of 2,4-dinitroanilines and their salts
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Investigation of the Membrane Localization and Interaction of Selected Flavonoids by NMR and FTIR Spectroscopy
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FTIR Study and Mechanical Properties of Cellulose Fiber-Reinforced Thermoplastic Composites
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Two-sites layered electrocatalysts for ammonia electrooxidation
Open Research DataThe dataset contains the results of the XRD and FTIR analysis of single metal layered α-Ni(OH)2, β-Ni(OH)2 or double metal layered NiCu hydroxides hydrothermally deposited on nickel foam.
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bio-based polyester polyols - chemical structure of Miniatura 4 proper samples
Open Research DataPresented results are related with project MINIATURA 4 realization. At the document, the chemical structure of bio-based polyester polyols (poly(propylene-co-propan-1,2,3-triol succinate)s) are presented as analysis of FTIR and H NMR spectroscopy.
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Optyczna spektroskopia podczerwieni cienkich warstw FTIR - podstawy identyfikacji widm poliazometin
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Polyurethane Nanocomposites Containing Reduced Graphene Oxide, FTIR, Raman, and XRD Studies
PublicationRecently, graphene and other graphene-based materials have become an essential part of composite science and technology. Their unique properties are not only restricted to graphene but also shared with derivative compounds like graphene oxide, reduced graphene oxide, functionalized graphene, and so forth. One of the most structurally important materials, graphene oxide (GO), is prepared by the oxidation of graphite. Though removal...
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Characterization of Bioactivity of Selective Molecules in Fruit Wines by FTIR and NMR Spectroscopies, Fluorescence and Docking Calculations
PublicationFourier transform infrared (FTIR) and proton nuclear magnetic resonance (1H NMR) spectroscopies were applied to characterize and compare the chemical shifts in the polyphenols’ regions of some fruit wines. The obtained results showed that FTIR spectra (1800–900 cm−1) and 1H NMR (δ 6.5–9.3 ppm) of different fruit wines can be used as main indices of the year of vintage and quality of fruit wines. In addition to the classical determination...
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Microscopic and Spectroscopic Imaging and Thermal Analysis of Acrylates, Silicones and Active Pharmaceutical Ingredients in Adhesive Transdermal Patches
PublicationDermal or transdermal patches are increasingly becoming a noteworthy alternative ascarriers for active pharmaceutical ingredients (APIs), which makes their detailed physicochemical evaluation essential for pharmaceutical development. This paper demonstrates mid-infrared (FTIR) and Raman spectroscopy with complementary microscopic methods (SEM, optical and confocal Raman microscopy) and differential scanning calorimetry...
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Spektroskopia refleksyjna w podczerwieni (ATR-FTIR) w aspekcie badań trwałości leku
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Surface phenomena in discotic liquid crystals investigated using polarized FTIR transmission spectroscopy
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TG-FTIR, DSC and quantum chemical studies of the thermal decomposition of quaternary methylammonium halides
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Thermal analysis of manganese(II) complexes of general formula(Et4N)2[MnBrnCl4−n]
PublicationBadano termiczną dekompozycję związków zawierających aniony [MnBrnCl4−n]2− (n = 0-4) i kation tetraetylammonium. Wykorzystywano metody DSC i TG. Badania prowadzono w atmosferze argonu w temperaturze 173-500K (DSC)i 300-1073K (TG). Produkty dekompozycji określono za pomocą MS, FTIR, Far-FTIR i dyfraktometrii rentgenowskiej.
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Influence of bio-polyols with different molecular weight on properites of PUR-PIR foams
Open Research DataThis work attempts to validate the possibility of replacing petrochemical polyols with previously synthesized bio-polyols and their impact on the structure and properties of rigid polyurethane-polyisocyanurate (PUR-PIR). The influence of bio-polyols addition on foam properties was investigated by mechanical testing, Fourier transform infrared spectroscopy...
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The bioactivity studies of drug-loaded mesoporous silica-polydimethylsiloxane xerogels using FTIR and SEM/XEDS
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Thermal Aging of Heterophasic Propylene−Ethylene Copolymers: Morphological Aspects Based on ESR, FTIR, and DSC
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FTIR and NMR studies of bis(oxaalkyl) sulphates(IV) and their complexes with proton and some metal cations
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Thermal analysis of bis(tetraethylammonium) tetrachloroferrate(II)
PublicationBadano dekompozycję termiczną związków bis(tetraethylammonium) tetrachloroferrate(II). Stosowano następujące metody badawcze: TG-FTIR, TG-MS i DTA. Pomiary przeprowadzono w atmosferze obojętnej w zakresie temperatur od 293 K do 1073 K. Stałe produkty dekompozycji identyfikowano metodą spektroskopii w podczerwieni, spektroskopii Mössbauera oraz metodą dyfrakcji promieniowania rentgenowskiego. Przedyskutowano wpływ stopnia utlenienia...
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Combined chemoresistive and in situ FTIR spectroscopy study of nanoporous NiO films for light-activated nitrogen dioxide and acetone gas sensing
PublicationThe chemoresistive sensor response of nanoporous NiO films prepared by advanced gas deposition was investigated by combined resistivity and in situ FTIR spectroscopy, with and without simultaneous light illumination, to detect NO2 and acetone gases. The sensitivity towards NO2 increased dramatically under UV irradiation employing 275 nm light. Improved sensitivity was observed at an elevated temperature of 150 °C. In situ FTIR...
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Self-assembly and interactions of short antimicrobial cationic lipopeptides with membrane lipids: ITC, FTIR and molecular dynamics studies
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The common effect of hydrophobic and electrophilic types of hydration dependent on protonation in the sec-butyloamine/HCl/H2O system studied by FTIR spectroscopy
PublicationZbadano hydratację sec-butyloaminy w zależności od pH roztworów wodnych przy pomocy spektoskopii FTIR, z zastosowaniem techniki rozcieńczenia izotopowego HDO w H2O. Dane widmowe poddano analizie przy pomocy ilościowej metody widm różnicowych. Stwierdzono, iż wiązania wodorowe cząsteczek wody tworzących klatratopodobną otoczkę hydratacyjną wokół aminy ulegają wzmocnieniu na skutek oddziaływania z grupą elektrofilową aminy.
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Thermal properties. DSC analysis of poly(xylitol sebacate-co-butylene sebacate) PXBS.
Open Research DataIn this work, a bio-based copolyester with good mechanical properties was synthesized andcharacterized in terms of structure, main properties and biodegradability Determining the chemicalstructure of such materials is important to understand their behavior and properties. Performingan extraction of insoluble cross-linked polymer using di erent solvents...
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Valorization of bio-based polyols synthesized via biomass liquefaction
Open Research DataAs the properties of polyols have a huge impact on the properties of manufactured polyurethanes, this study aims to determine the influence of polyethylene glycols with different molecular masses on the course of the biomass liquefaction process and bio-polyol properties. The obtained polyols were characterized by rheological studies. To confirm the...
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Characteristics of hydration water around hen egg lysozyme as the protein model in aqueous solution. FTIR spectroscopy and molecular dynamics simulation
PublicationW niniejszej pracy przedstawiono wyniki badań dotyczące hydratacji białka modelowego - lizozymu z jaja kurzego w roztworze wodnym. Wiodącą techniką stosowaną w badaniach była spektroskopia oscylacyjna FTIR z zastosowaniem techniki rozcieńczenia izotopowego wody półciężkiej HDO w roztworze wody zwykłej. Analiza widma HDO przy pomocy "metody widm zaburzonych" pozwoliła na wyizolowanie widma wody zaburzonej przez lizozym, a tym samym...
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Thermal Aging of Heterophasic Propylene−Ethylene Copolymers: Spatial and Temporal Aspects of Degradation Based on ESR, ESR Imaging, and FTIR
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