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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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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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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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15 N NMR and FTIR studies of 2,4-dinitroanilines and their salts
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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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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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FTIR Study and Mechanical Properties of Cellulose Fiber-Reinforced Thermoplastic Composites
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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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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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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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Effect of pyridine extraction on the pyrolysis of a perhydrous coal based on in-situ FTIR analysis
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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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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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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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Spektroskopia refleksyjna w podczerwieni (ATR-FTIR) w aspekcie badań trwałości leku
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Characteristics of thermal behavior of photoluminescent copolymers studied by the TG/DTG/FTIR coupled method
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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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The bioactivity studies of drug-loaded mesoporous silica-polydimethylsiloxane xerogels using FTIR and SEM/XEDS
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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 Aging of Heterophasic Propylene−Ethylene Copolymers: Morphological Aspects Based on ESR, FTIR, and DSC
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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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Self-assembly and interactions of short antimicrobial cationic lipopeptides with membrane lipids: ITC, FTIR and molecular dynamics studies
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In-situ FTIR study of reaction mechanism and chemical kinetics of a Xundian lignite during non-isothermal low temperature pyrolysis
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FTIR, NMR and kinetic studies of proton transfer reactions from nitro-substituted diarylmethanes to N-bases with guanidine character
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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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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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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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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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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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FTIR Studies of the Surface of TiO2, Fe-TiO2 and Fe-C-TiO2 Photocatalysts in Phenol Oxidation Via the Photo-Fenton Process
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FTIR spectra of V2O5 nanostructures
Open Research DataThe DataSet contains FTIR spectra of vanadium pentaoxide nanostructures obtained by the sol-gel with different annealing temperatures under synthetic air.
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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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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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Lignocellulosic biomass pretreatment - FTIR data
Open Research DataLignocellulosic pretreated biomass has been analysed using FRIT spectroscopy to demonstrate changes occuring in biomass structure
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FTIR in situ - ethylene decomposition on TiO2
Open Research DataThese data contain FTIR spectra recorded in FTIR spectrometer Nicolet iS50 coupled with High Temperature Chamber "The Praying Mantis". These spectra were measured for TiO2 irradiated by UV and under flowing of ethylene gas diluted in air. FTIR spectra were measured in situ during the photocatalytic process of ethylene decomposition. In order to identify...
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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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FTIR spectra of VO2 and V2O3 nanostructures
Open Research DataThe DataSet contains the FTIR spectra of VO2 and V2O3 nanostructures obtained by the sol-gel with different reaction conditions. The information about xerogel powder synthesis is described in the Journal of Nanomaterials. The xerogel powder was annealing under argon atmosphere in the temperature range 400-1000C. The results show that the morphology...
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Methane (CH4) calibration set of FTIR spectra
Open Research DataThe calibration spectra for CH4 concentration calibration were supplied with this dataset
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Badania struktury chemicznej (metodami FTIR i NMR) oraz własności termicznych (metodą DSC) materiałów i ustalenie rodzaju tworzywa sztucznego - Numer umowy: 032257
PublicationPrzeprowadzono badania struktury chemicznej (metodami 1H NMR oraz FTIR) oraz własności termicznych (metodą DSC) materiałów pobranych z dostarczonych obiektów i ustalono typ tworzywa sztucznego z jakiego zostały wykonane dostarczone obiekty.
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FTIR spectra of Ce0.9M0.1O2 synthesised by reverse microemulsion method
Open Research DataThe dataset consist of the FTIR spectra of Ce0.9M0.1O2 synthesised by reverse microemulsion method, after calcination at 500 degrees.
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Carbon dioxide (CO2) calibration set of FTIR spectra
Open Research DataThe calibration spectra for CO2 concentration calibration were supplied with this dataset
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FTIR spectrum for biologically pre-treated lignocellulosic biomass
Open Research DataDataset contains FTIR spectrum data for lignocellulosic biomass obtained during the biological pretreatment period with the application of wild red, white and brown Rot Fungi.
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FTIR-TiO2 heated at 400-600oC in Ar or H2
Open Research DataData contain FTIR diffuse eflectance spectra of TiO2, which was heat-treated at 400-600oC in Ar or H2. Hydrogen reduced TiO2 revealed new bands due to the adsorption of some species on the titania oxygen vacancy sites.
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Carbon (II) oxide (CO) calibration set of FTIR spectra
Open Research DataThe calibration spectra for CO concentration calibration were supplied with this dataset