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Search results for: FOURIER TRANSFORM INFRARED (FTIR)
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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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Fourier-transform infrared spectroscopy (FTIR) spectra of bulk boron and borophene flakes
Open Research DataThese data contain Fourier-transform infrared spectroscopy (FTIR) spectra of bulk boron and borophene flakes obtained during ball milling (450 rpm, 6 h, 1 g). Spectra were acquired to investigate the chemical bonds and functional groups on the surface of the pristine boron and borophene flakes.
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Fourier transform infrared spectroscopic and theoretical study of water interactions with glycine and its N-methylated derivatives
PublicationZbadano hydratację glicyny i jej metylowych pochodnych: N-metyloglicyny (NMG), N,N-dimetyloglicyny (DMG) i N,N,N-trimetyloglicyny (TMG) przy wykorzystaniu spektroskopii FTIR, z zastosowaniem cząsteczki HDO jako sondy molekularnej. Ilościowa wersja metody widm różnicowych pozwoliła na wyizolowanie widma wody zaburzonej przez substancję rozpuszczoną. Wyniki widmowe zostały skonfrontowane z obliczeniami teoretycznymi w ramach teorii...
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FTIR (Fourier-transform infrared spectroscopy) spectra of titanium dioxide coated nickel foams.
Open Research DataThis dataset contains FTIR spectra recorded on a JASCO 4200 spectrometer of nickel foams coated with titanium dioxide after heating at 400, 500 and 600 C and after photocatalytic process with NOx.
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Assessment of the structural evolution of polyimide-derived carbons obtained by phosphoric acid activation using Fourier transform infrared and Raman spectroscopy
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In situ study of a composition of outlet gases from biogas fuelled Solid Oxide Fuel Cell performed by the Fourier Transform Infrared Spectroscopy
PublicationThe purpose of this study was to develop a method and software based on the Fourier Transform Infrared Spectroscopy for the in-situ, quantitative analysis of the composition of outlet gases from Solid Oxide Fuel Cell (SOFC). The calibration procedure performed at the beginning of the experiment indicated a polynomial dependence between the concentration of a calibrating gas (CO, CO2, CH4) and the corresponding integrated absorbance in...
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Fourier transform infrared spectroscopy (FTIR) of pre- PXBS (0 h) and PXBS during the crosslinking process (24 h–288 h)
Open Research DataThe goal of this research was developing biodegradable and biocompatibile xylitol-based copolymers with improved mechanical properties, and investigating the change in their thermal and chemical properties withprogress of the cross-linking process. Using a raw material of natural origin such as xylitol, a prepolymer wasobtained by esterification and...
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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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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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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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Preliminary Investigation on Auto-Thermal Extrusion of Ground Tire Rubber
PublicationGround tire rubber (GTR) was processed using an auto-thermal extrusion as a prerequisite to green reclaiming of waste rubbers. The reclaimed GTR underwent a series of tests: thermogravimetric analysis combined with Fourier-transform infrared spectroscopy (TGA-FTIR), scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), and static headspace and gas chromatography-mass spectrometry (SHS-GC-MS) in order...
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FTIR spectra and IGC chromatograms for chemically reduced graphene oxide aerogels (rGOA)
Open Research DataThe effect of selected synthesis parameters on reduced graphene oxide aerogels properties was investigated using Fourier-transform infrared spectroscopy and dynamic adsorption method (Inverse Gas Chromatography, IGC). Samples were synthesized by sol-gel method by reduction induced self-assembly of graphene oxide. As a reductant l-ascorbic acid was used....
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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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Two-step Conversion of Crude Glycerol Generated by Biodiesel Production into Biopolyols: Synthesis, Structural and Physical Chemical Characterization
PublicationIn this work biopolyols were synthesized via two-step process from crude glycerol and castor oil. For better evaluation of analyzed process, the impact of its time and temperature on the structure and properties of biopolyols was determined. Obtained results fully justified conducting of synthesis in two steps. Prepared materials were characterized by hydroxyl value and water content comparable to polyols industrially applied in...
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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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Synergistic Effects of Bitumen Plasticization and Microwave Treatment on Short-Term Devulcanization of Ground Tire Rubber
PublicationGround tire rubber (GTR) was mechano-chemically modified with road bitumen 160/220 and subsequently treated using a microwave radiation. The combined impact of bitumen 160/220 content and microwave treatment on short-term devulcanization of GTR was studied by thermal camera, wavelength dispersive X-ray fluorescence spectrometry (WD-XRF), static headspace, and gas chromatography-mass spectrometry (SHS-GC-MS), thermogravimetric analysis...
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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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Reclaimed Rubber/Poly(ε‐caprolactone) Blends: Structure, Mechanical, and Thermal Properties
PublicationThe amount of elastomeric waste, especially from tires is constantly increasing on a global scale. The recycling of these residua should be considered a priority. Compounding the waste rubbers with other polymers can be an excellent alternative to reuse waste materials. This procedure requires solving the issue of the lack of compatibility between the waste rubber particles and other polymers. Simultaneously, there is a claim for...
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Luminescent properties of Ln3+ doped tellurite glasses containing AlF3
PublicationThe low-phonon energy tellurite glasses TeO2-BaO-Bi2O3 and TeO2-BaO-Bi2O3-AlF3 triply doped with Eu3+, Tb3+, Tm3+ ions in two different molar ratios were synthesized using melt-quenching technique. Their structure and luminescence properties were widely investigated by X-ray Diffraction (XRD), Differential Scanning Calorimetry (DSC), Fourier Transform Infrared Spectroscopy (FTIR) and Photoluminescence Spectroscopy (PL). The luminescence...
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Determination of phenylbutazone, sulfamethazine, carbendazim and linuron using a novel pine bark biosorbent for solid-phase extraction (SPE) with high-performance liquid chromatography (HPLC)
PublicationThe paper presents a novel pine bark based biosorbent for solid-phase extraction (SPE). The morphology and composition of the pine bark were characterized using Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). The biosorbent was used for the preparation of wastewater for the determination of phenylbutazone, sulfamethazine, carbendazim, and linuron by high performance liquid chromatography with...
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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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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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Novel cast polyetherurethanes based on dispersed polymeric polyols
PublicationOur study was focused on obtaining polyetherurethanes synthesized with using polymeric polyether based polyols differing in dispersed copolymer content (10, 20 and 40 wt%). The polyetherurethane materials were synthesized via two step method. The influence of different polymeric polyether based polyols on the chemical structure, morphology, mechanical and thermal properties of the obtained polyetherurethanes was investigated. The...
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Wykorzystanie fourierowskiej spektroskopii w podczerwieni do badania stężenia gazów wylotowych z tlenkowego ogniwa paliwowego zasilanego biogazem
PublicationW dzisiejszych czasach bardzo ważne jest pozyskiwanie energii ze źródeł odnawialnych i bezpiecznych dla środowiska. Jedną z obiecujących technologii są tlenkowe ogniwa paliwowe (ang. Solid Oxide Fuel Cell, SOFC). Stanowią one bezpieczną i ekologiczną alternatywę dla energii uzyskanej z paliw kopalnych. SOFC charakteryzuje się sprawnością energetyczną na poziomie 45-60 %, podczas gdy sprawność klasycznych elektrowni cieplnych nie...
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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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The role of hydrogen bonding on tuning hard-soft segments in bio-based thermoplastic poly(ether-urethane)s
PublicationThis work describes the preparation of bio-based thermoplastic poly(ether-urethane)s (TPU) via a prepolymer method and investigates the effect of varying the interphase hydrogen-bonding (H-bonding) on physicochemical, thermal and mechanical properties. This was achieved by varying the glycol type and molar ratio of [NCO]/[OH] groups used during the prepolymer chain extending step. The TPUs’ chemical structure was analyzed by Fourier...
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Quantifying the effective mobilized RAP content during hot in-place recycling techniques
PublicationThe utilization of in-place recycling techniques is capable of consuming 100% reclaimed asphalt pavement (RAP). Hot in-place recycling (HIR) is one of the promising techniques to rehabilitate the pavements suffering from minor cracking issues through heat scarification, additive injecting, mechanical mixing, and compacting. However, the main concern of using 100% RAP in HIR remains as how much RAP can be activated and mobilized...
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Chemical modifications of graphene and their influence on properties of polyurethane composites: a review
PublicationPolyurethane composites are materials of great interest nowadays due to their wide range of available forms and applications in industry. Controlling and achieving unique properties via matrix modifications and addition of various specific nanofillers seems be one of the key elements to success. The purpose of this work is to briefly present some examples of graphene nanoderivatives, their syntheses, properties and influence on...
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Improvement of opipramol base solubility by complexation with β-cyclodextrin
PublicationOpipramol (OPI), a tricyclic antidepressant and anxiolytic compound, is administered orally in the form of a dihydrochloride. Salt form of the drug has a higher solubility in water and hence bioavailability and stability. A similar effect can be achieved by closing the hydrophobic part of the drug molecule in the cyclodextrin cavity. The paper presents opipramol inclusion complexes with beta-cyclodextrin (β-CD) in 1:1 molar ratio....
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Determination of modifier contents in polymer-modified bitumens and in samples collected from the roads using high performance gel permeation/size exclusion chromatography
PublicationThis paper describes application of high performance gel permeation/size exclusion chromatography (HP-GPC/SEC) for the determination of content of polymer modifiers in modified road bitumens. The obtained results were compared with the measurements based on the procedure recommended by the American Association of State Highway and Transportation Officials, which employs Fourier transform mid-infrared spectroscopy (mid-IR FTIR)....
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Physico‐Mechanical Properties and Flammability of PUR/PIR Foams Containing Expandable Graphite Core‐Shell Composite Particles
PublicationIn this work, polyurethane/polyisocyanurate (PUR/PIR) foams were modified by two types of expandable graphite (EG) core-shell composite particles. The pulverized EG core-shell composite particles were prepared during emulsion polymerization using methyl methacrylate or glycidyl methacrylate for the synthesis of the polymeric shells (poly(methyl methacrylate) (PMMA) and poly (glycidyl methacrylate) (PGMA)), and then the obtained EG_PMMA...
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Structural and luminescence properties of B2O3-Bi2O3-AlF3 glass doped with Eu3+, Tb3+ and Tm3+ ions
PublicationThe B2O3-Bi2O3-AlF3 glass system doped with Eu3+, Tb3+, Tm3+ and triply doped with Eu3+/Tm3+/Tb3+ ions in different molar ratios were successfully synthesized. Glass transition and crystallization temperatures were examined by Differential Scanning Calorimetry (DSC) measurements. X-ray Diffraction (XRD) confirmed the amorphous character of the samples. Fourier Transform Infrared Spectroscopy (FTIR) revealed that the glass matrix...
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Utilization of oriented crystal growth for screening of aromatic carboxylic acids cocrystallization with urea
PublicationThe possibility of molecular complex formation in the solid state of urea with benzoic acid analogues was measured directly on the crystallite films deposited on the glass surface using powder X-ray diffractometry (PXRD). Obtained solid mixtures were also analyzed using Fourier transform infrared spectroscopy (FTIR). The simple droplet evaporation method was found to be efficient, robust, fast and cost-preserving approach for first...
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Liquefaction of alder wood as the source of renewable and sustainable polyols for preparation of polyurethane resins
PublicationLiquefaction of wood-based biomass gives different polyol properties depending on the reagents used. In this article, alder wood sawdust was liquefied with glycerol and poly(ethylene glycol) solvents. Liquefaction reactions were carried out at temperatures of 120, 150 and 170 °C. The obtained bio-polyols were analyzed in order to establish the process efficiency, hydroxyl number, acid value, viscosity and structural characteristics...
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Softwood-lignin/natural rubber composites containing novel plasticizing agent: Preparation and characterization
PublicationComposite materials based on natural rubber were obtained by using glycerolysate (decomposition prod- uct of polyurethane) as a novel plasticizer. In order to determine the effect of various lignin content, four different filler amounts were used, namely, 5 phr (parts per 100 parts of natural rubber) of lignin (WLI5G), 10 phr (WLI10G), 20 phr (WLI20G), and 40 phr (WLI40G). The reference specimen without lignin (WLI0G) was also...
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Performance properties of rigid polyurethane-polyisocyanurate/brewers’ spent grain foamed composites as function of isocyanate index
PublicationIn the presented work, rigid polyurethane-polyisocyanurate (PUR-PIR) foams filled with brewers’ spent grain (BSG) were prepared. The influence of the isocyanate index (II) on its performance was investigated. Foams obtained with higher isocyanate index required a higher amount of hydrofluorocarbon physical blowing agent to provide the same apparent density of material. An increase of isocyanate index resulted in a slight decrease...
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Vegetable derived-oil facilitating carbon black migration from waste tire rubbers and its reinforcement effect
PublicationThree dimensional chemically cross-linked polymer networks present a great challenge for recycling and reutilization of waste tire rubber. In this work, the covalently cross-linked networks of ground tire rubber (GTR) were degraded heterogeneously under 150 °C due to the synergistic effects of the soybean oil and controlled oxidation. The degradation mechanism was discussed using Horikx theory and Fourier transformation infrared...
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Influence of Selected Saccharides on the Precipitation of Calcium-Vaterite Mixtures by the CO2 Bubbling Method
PublicationCalcium carbonate is a compound existing in living organisms and produced for many biomedical applications. In this work, calcium carbonate was synthesized by a CO2 bubbling method using ammonia as a CO2 absorption promotor. Glucose, fructose, sucrose, and trehalose were added into the reaction mixture to modify characteristics of precipitated calcium carbonate particles. To determine the polymorphic form of produced calcium carbonate...
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Copper Slag as a Potential Waste Filler for Polyethylene-Based Composites Manufacturing
PublicationThe present study aimed to analyze the application of waste material from copper production– copper slag (ŻŻL) as filler for composites based on the high-density polyethylene (HDPE). Copper slag filler was introduced in the amounts of 1–20 wt%, and its influence on the appearance (color analysis), chemical structure (Fourier-transform infrared (FTIR) spectroscopy), microstructure (optical microscopy), as well as static (tensile...
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Properties of Different Varieties of Durian
PublicationDurian (Durio zibethinus Murr.), like many other exotic, tropical, and conventional fruits, is important in the prevention of different diseases. In this study, the characterization of the main bioactive compounds of the most popular cultivars of durian and their properties are described. The changes in the quality indices of the antioxidant status were determined by CUPRAC, ABTS, FRAP, DPPH, and ORAC assays. The profiling of phytochemicals...
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In vitro antioxidative and binding properties of phenolics in traditional, citrus and exotic fruits
PublicationMany polyphenols bind proteins, therefore our research was focused on the potential of protein binding to polyphenols of investigated fruits and their health-related effects. The contents of polyphenols and related antioxidant activities of traditional, citrus and exotic fruits were compared. The presence of polyphenols (flavonoids and phenolic acids) in the investigated samples and their interaction with human serum albumin (HSA)...
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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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Cast polyurethanes obtained from reactive recovered polyol intermediates via crude glycerine decomposition process
PublicationIn this work, the possibility of applying intermediates from polyurethane waste recycling in polyurethane synthesis was presented. Polyurethanes were synthesised in a two-step method using a mixture of petrochemical polyol and glycerolysate, used as a reactive component, 4,4-diphenylmethane diisocyanate (MDI) and 1,4-buthanediol (BD). Glycerolysates were produced during decomposition of polyurethane elastomer by crude glycerine...
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Synthesis, structure and properties of poly(ester-urethane)s obtained using bio-based and petrochemical1,3-propanediol and 1,4-butanediol
PublicationIn this paper, the poly(ester-urethane)s obtained using petrochemical and bio-based chain extenders were prepared and characterized. The influence of glycols’ origin on the chemical structure, mechanical and thermal properties of the prepared polyurethanes was studied. The materials were synthesised by prepolymer method. The first step involved the reaction of α,ω-dihydroxy(ethylene-butylene adipate (POLIOS 55/20) with 4,4’-diphenylmethane...
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Bioactive and biodegradable cotton fabrics produced via synergic effect of plant extracts and essential oils in chitosan coating system
PublicationFunctional antibacterial textile materials are in great demand in the medical sector. In this paper, we propose a facile, eco-friendly approach to the design of antibacterial biodegradable cotton fabrics. Cotton fiber fabrics were enhanced with a chitosan coating loaded with plant extracts and essential oils. We employed Fourier-transform infrared (FTIR) and X-ray photoelectron spectroscopy (XPS), UV–Vis spectrophotometry, optical...
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Cellulose Nanofibers Isolated from the Cuscuta Reflexa Plant as a Green Reinforcement of Natural Rubber
PublicationIn the present work, we used the steam explosion method for the isolation of cellulose nanofiber (CNF) from Cuscuta reflexa, a parasitic plant commonly seen in Kerala and we evaluated its reinforcing efficiency in natural rubber (NR). Fourier Transform Infrared Spectroscopy (FTIR), X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), and Thermogravimetric analysis (TGA) techniques...
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Technology of an adhesive silicone film as drug carrier in transdermal therapy I. Analytical methods used for characterization and design of the universal elastomer layers
PublicationSilicone polymers possess unique properties, which make them suitable for many different applications, for example in the pharmaceutical and medical industry. To create an adhesive silicone film, the appropriate silicone components have to be chosen first. From these components two layers were made: an adhesive elastomer applied on the skin, and a non-adhesive elastomer on the other side of the film. The aim of this study was...
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The Physicochemical and Antibacterial Properties of Chitosan-Based Materials Modified with Phenolic Acids Irradiated by UVC Light
PublicationThis paper concerns the physicochemical properties of chitosan/phenolic acid thin films irradiated by ultraviolet radiation with wavelengths between 200 and 290 nm (UVC) light. We investigated the preparation and characterization of thin films based on chitosan (CTS) with tannic (TA), caffeic (CA) and ferulic acid (FA) addition as potential food‐packaging materials. Such materials were then exposed to the UVC light (254 nm) for...
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Synthesis and characterization of novel renewable polyesters based on 2,5-furandicarboxylic acid and 2,3-butanediol
PublicationNovel polyesters from 2,5-furandicarboxylic acid or 2,5-dimethyl-furandicarboxylate and 2,3-butanediol have been synthesized via bulk polycondensation catalyzed by titanium (IV) n-butoxide, tin (IV) ethylhexanoate, or zirconium (IV) butoxide. The polymers were analyzed by size exclusion chromatography, nuclear magnetic resonance spectroscopy, Fourier transform infrared spectroscopy (FTIR), matrix-assisted laser ionization-desorption...
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The Influence of Calcium Glycerophosphate (GPCa) Modifier on Physicochemical, Mechanical, and Biological Performance of Polyurethanes Applicable as Biomaterials for Bone Tissue Scaffolds Fabrication
PublicationIn this paper we describe the synthesis of poly(ester ether urethane)s (PEEURs) by using selected raw materials to reach a biocompatible polyurethane (PU) for biomedical applications. PEEURs were synthesized by using aliphatic 1,6-hexamethylene diisocyanate (HDI), poly(ethylene glycol) (PEG), α,ω-dihydroxy(ethylene-butylene adipate) (Polios), 1,4-butanediol (BDO) as a chain extender and calcium glycerolphosphate salt (GPCa) as...