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Stimulated Raman scattering (SRS) is studied in polycrystalline CdS/TiO2 mixtures based on laser power and temperature dependences in Raman investigation. Our Raman analysis reveals several features of nonlinear behavior, such as nonlinear laser power dependencies or high enhancement of Raman lines at a low temperature due to the intrinsic nonlinear nature of CdS, a high light scattering inside the matter, and a trap-based diffusive medium in a grain-boundary system. In particular, building up experimental evidence of conductivity at various temperatures, it is shown that the samples exhibit thermally activated conductivity due to potential local barriers revealed by a considerable fraction of the grain-boundaries in a diffusive medium. Taking into account the defect-based conductivity, a double Poole–Frenkel barrier is established within the grain-boundaries of CdS/TiO2 mixtures, and their barrier energies are investigated considering the temperature-dependent dark current of the grain-boundary model. We thus demonstrate that diffusive medium-based defects in a grain-boundary model makes CdS/TiO2 mixtures behave efficiently in nonlinear processes such as SRS. These features are of particular interest for optical communication technology, and the fundamental application of the SRS effect is semiconductor optical amplifiers. [ABSTRACT FROM AUTHOR]

We studied here the influence of Li+ ions on the benzene rings of nematic mixture E7, which is electrochemically adsorbed onto gold electrode surface, to highlight the ability of this mixture for the applications in the field of the rechargeable Li+-ion batteries. Raman spectra support the changes observed in electrochemical analyses while contact angle measurements show that wetting properties of E7 layer were modified after deposition of this mixture onto gold support and the doping with Li+ ions. [ABSTRACT FROM AUTHOR]

In this article, we review recent progress concerning the development of sensorial platforms based on graphene derivatives and conducting polymers (CPs), alternatively deposited or co-deposited on the working electrode (usually a glassy carbon electrode; GCE) using a simple potentiostatic method (often cyclic voltammetry; CV), possibly followed by the deposition of metallic nanoparticles (NPs) on the electrode surface (ES). These materials have been successfully used to detect an extended range of biomolecules of clinical interest, such as uric acid (UA), dopamine (DA), ascorbic acid (AA), adenine, guanine, and others. The most common method is electrochemical synthesis. In the composites, which are often combined with metallic NPs, the interaction between the graphene derivatives—including graphene oxide (GO), reduced graphene oxide (RGO), or graphene quantum dots (GQDs)—and the CPs is usually governed by non-covalent functionalization through π–π interactions, hydrogen bonds, and van der Waals (VW) forces. The functionalization of GO, RGO, or GQDs with CPs has been shown to speed up electron transfer during the oxidation process, thus improving the electrochemical response of the resulting sensor. The oxidation mechanism behind the electrochemical response of the sensor seems to involve a partial charge transfer (CT) from the analytes to graphene derivatives, due to the overlapping of π orbitals. [ABSTRACT FROM AUTHOR]

In this work, new information concerning the optical properties of black phosphorus (BP) sheets chemically/electrochemically functionalized with diphenyl amine (DPA) and its macromolecular compound (poly(diphenylamine) (PDPA)) in the absence/presence of phosphotungstic acid (PTA) is reported. Raman scattering and FTIR spectroscopy studies indicate that the interaction of BP with PTA leads to the elimination of the PxOy layer onto the surface of the BP sheets. In the case of the chemical interaction of BP with DPA, the reaction product corresponds to DPA chemically functionalized BP sheets having an imino-phosphorane (IP) structure. The electrochemical oxidation of BP sheets chemically functionalized with DPA in the presence of PTA leads to an increase in the weight of P-N bonds as a consequence of the generation of PDPA doped with the PTA heteropolyanions, as shown by FTIR spectroscopy and Raman scattering. This process is evidenced by a shift of the Raman line from 362 cm−1 to 378 cm−1, assigned to the A1g mode. This change was explained by taking into account the compression of the layers containing P atoms, which is induced by PDPA macromolecular chains. The decrease in the intensity of the PL spectra of DPA as well as PDPA, in the presence of BP, indicates that BP acts as a PL quenching agent for these compounds. A preferential orientation of the PDPA doped with the PTA heteropolyanions on the surface of BP sheets is highlighted by the variation of the binding angle of the PDPA on the surface of BP sheets from 44.7° to 39.9°. [ABSTRACT FROM AUTHOR]

In this work, new optical evidences concerning the changes induced of the UV light on pantoprazole sodium (PS), in solid state and as aqueous solution, are reported by UV–VIS spectroscopy, photoluminescence (PL), Raman scattering and FTIR spectroscopy. New evidences concerning the products of the PS photodegradation pathways are reported by the correlated studies of thermogravimetry and mass spectrometry. The influence of the excipients and alkaline medium on the PS photodegradation is also studied. New aspects regarding the chemical mechanism of the PS photodegradation in the presence of the water vapor and oxygen form air and the alkaline medium are shown. Our results confirm that the PS photodegradation induced of the water vapors and oxygen from air leads to the generation of 5-difluoromethoxy-3H-benzimidazole-2-thione sodium, 5-difluoromethoxy-3H-benzimidazole sodium, 2-thiol methyl-3, 4-dimethoxypyridine and 2-hydroxymethyl-3, 4-dimethoxypyridine, while in the alkaline medium, compounds of the type of the 2-oxymethyl-3,4-dimethoxypyridine sodium salts are resulted. [ABSTRACT FROM AUTHOR]

Abnormal anti-Stokes Raman emission (AASRE) is defined by an anti-Stokes/Stokes intensity ratio much greater than expected on the basis of the equilibrium population of excited vibration states provided by the Boltzmann law. Using nonlinear optical materials such as LiNbO3 and CdS in powder form, we demonstrate that under continuous single beam excitation it presents AASRE whose properties are similar to a single beam pumped Coherent Anti-Stokes Raman Scattering. We explain AASRE as resulting from a wave-mixing mechanism of the incident laser light with a Stokes shifted Raman light produced by a spontaneous Raman light scattering process, both strongly scattered inside the sample. [ABSTRACT FROM AUTHOR]

Abstract In this work, the influence of silicotungstic acid concentration on the diphenylamine (DPA) electropolymerization in the absence and the presence of reduced graphene oxide (RGO) is studied. The optical properties of the composites based on polydiphenylamine (PDPA) doped with the H 4 SiW 12 O 40 heteropolyanions and RGO are investigated by Raman scattering, IR absorption spectroscopy and photoluminescence (PL). The presence of RGO induces an up-shift of the oxidation maximum of the DPA, as a result of a covalent functionalization process of graphene sheets with the polymer in the doped state. The deposition of PDPA onto RGO sheets surface is confirmed by the Raman scattering studies. Regardless of the H 4 SiW 12 O 40 concentration, an up-shift of the IR bands from 910 to 1014 cm−1 to ∼920 and 1022 cm−1 is reported as a consequence of the compensation of positive charges of PDPA macromolecular chains with of the H 4 SiW 12 O 40 heteropolyanions. An enhancement in the absorbance of the IR bands situated in the spectral range 750–1050 cm−1 accompanied of a decrease in the relative intensity of the PL bands of PDPA and their composites with RGO, as increasing the H 4 SiW 12 O 40 concentration, is reported. In the presence of RGO, a change in the PDPA PL spectra profile is also highlighted. Graphical abstract Image 1018328 Highlights • Electropolymerization of DPA in the presence of RGO and H 4 SiW 12 O 40 is studied. • Functionalization of RGO with PDPA is evidenced by the Raman and IR studies. • FTIR spectra proves insertion of the H 4 SiW 12 O 40 heteropolyanions in PDPA matrix. • A PDPA PL quenching process in the presence of RGO is highlighted. [ABSTRACT FROM AUTHOR]

Recent progress concerning the development of counter electrode material (CE) from the dye-sensitized solar cells (DSSCs) and the electrode material (EM) within supercapacitors is reviewed. From composites based on carbon nanotubes (CNTs) and conducting polymers (CPs) to their biggest competitor, namely composites based on graphene or graphene derivate (GD) and CPs, there are many methods of synthesis that influence the morphology and the functionalization inside the composite, making them valuable candidates for EM both inside DSSCs and in supercapacitors devices. From the combination of CPs with carbon-based materials, such as CNT and graphene or GD, the perfect network is created, and so the charge transfer takes place faster and more easily. Inside composites, between the functional groups of the components, different functionalizations are formed, namely covalent or non-covalent, which further provide the so-called synergic effect. Inside CPs/CNTs, CNTs could play the role of template but could also be wrapped in a CP film due to π–π coupling enhancing the composite conductivity. Active in regenerating the redox couple I−/I3−, the weakly bound electrons play a key role inside CPs/GD composites. [ABSTRACT FROM AUTHOR]

A new composite material based on poly (para-phenylenevinylene) (PPV), pyrene (Py) and reduced graphene oxide (RGO) is synthesized using thermal conversion route. The properties of this material are investigated by Raman scattering, photoluminescence (PL), infrared (IR) and ultraviolet–visible (UV–Vis) spectroscopy. Adding Py at PPV precursor solution (PPV PS) containing RGO, yields to important modifications in both vibrational and electronic properties of these composites. The presence of Py into PPV matrix determines a blue shift of PPV PL. According to Raman and IR studies, PPV is non-covalently functionalized with Py which interacts forward with RGO through π-π interactions causing an important modification into the polymer chains conjugation length. [ABSTRACT FROM AUTHOR]

Significant differences are reported for the IR spectra of poly[(2,5-bisoctyloy)-1, 4-phenylenevinylene] (BO-PPV) recorded onto the KBr, Ag and Au supports. In this work, a decrease in the absorbance of the IR spectra of the BO-PPV films deposited onto Au and Ag supports as increasing the macromolecular compound film thickness is reported. A preferential orientation of the BO-PPV molecules and its composite with single-walled carbon nanotubes (SWNTs) versus metallic supports of Ag and Au is assessed using the IR absorption spectroscopy under s and p polarized light. An anti-Stokes photoluminescence (ASPL) is reported to characterize the BO-PPV macromolecular compound. The BO-PPV ASPL spectra intensity dependent both of the thickness of the macromolecular compound layer deposited onto the metallic supports and the SWNTs weight in the BO-PPV/SWNTs composite mass. [ABSTRACT FROM AUTHOR]

The enhancement of the Raman scattering in Cs3Bi2I9 is evaluated by the ratio IT/ I300 K between the relative intensities of the Raman line peaked at 146 cm−1, when the spectra are recorded in the temperature range of 88-300 K, as a signature of exciton-phonon interactions. In the resonant and nonresonant conditions, excitation wavelengths 476, 561, and 660 nm, respectively, are used in order to overlap with great accuracy the bands disclosed by diffuse reflection, photoconductivity (PC), photoluminescence (PL), and photoluminescence excitation (PLE) spectra. Based on the experimental analyses, the strength of exciton-phonon interaction is dependent on the defects in the crystal and the type-range interaction of the excitations in an independent Bi2I93− cluster. The noticeable PL band, attributed to excitons trapped on different stacking faults, manifests some defects in crystal that diminish the movement of excitons. This effect significantly decreases the overlaps of excitons with the phonons, resulting in a reduced exciton-phonon coupling. [ABSTRACT FROM AUTHOR]

Although Raman spectra reveal, as a signature of double-walled carbon nanotubes (DWCNTs), two radial breathing mode (RBM) lines associated with the inner and outer tubes, the specification of their nature as metallic or semiconducting remains a topic for debate. Investigating the spectral range of the RBM lines, we present a new procedure of the indexing of the semiconducting or metallic nature of the inner and outer shell that forms the DWCNT. The procedure exploits the difference between the intensities of recorded anti-Stokes Raman spectrum and the anti-Stokes spectrum calculated by applying the Boltzmann formulae to the recorded Stokes spectrum. The results indicate that the two spectra do not coincide with what should happen in a normal Raman process, namely, that there are RBM lines of the same intensity in both spectra, as well as RBM lines of higher intensity that are observed in the calculated spectrum. This discrepancy results from the surface-enhanced Raman scattering mechanism that operates differently on metallic or semiconducting nanotubes. In this context, the analysis of the RBM spectrum can reveal pairs of lines associated with the inner/outer shell structure of DWCNT, and when the intensities between the recorded and calculated spectra coincide, the nanotube is metallic; otherwise, the nanotube is semiconducting. Copyright © 2014 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

The electrochemical polymerization of diphenylamine (DPA) onto electrodes of Pt coated with highly separated metallic (98%) or semiconducting (99%) single-walled carbon nanotubes (SWCNTs) in the presence of H 3 PW 12 O 40 was performed by cyclic voltammetry in order to obtain composite materials based on polydiphenylamine (PDPA) doped with heteropolyanions of H 3 PW 12 O 40 and carbon nanotubes. Our data demonstrate that the photoluminescence quenching effect of the PDPA doped with H 3 PW 12 O 40 heteropolyanions in the presence of SWCNTs is due to the metallic component. Under UV irradiation of SWCNTs highly separated in metallic and semiconducting tubes functionalized with PDPA doped with heteropolyanions of H 3 PW 12 O 40 new photochemical reactions are evidenced by photoluminescence studies. These reactions lead to a shortening of the macromolecular chain of PDPA. The photochemical process is more intense in the case semiconducting SWCNTs functionalized with PDPA doped with heteropolyanions in comparison to metallic SWCNTs functionalized with PDPA in doped state, it being a consequence of an additional chemical interaction between the DPA dimer doped with H 3 PW 12 O 40 heteropolyanions and semiconducting SWCNTs. [ABSTRACT FROM AUTHOR]

Surface-enhanced Raman scattering studies were performed using nonresonant (514.5 nm) and resonant (676.4 nm) optical excitations on single-walled carbon nanotubes thoroughly separated into semiconducting (pure 99%) and metallic (pure 98%) components. Regardless of the support (Au or Ag), the metallic nanotubes do not present an anomalous anti-Stokes Raman emission. Regardless of whether an on-resonant or off-resonant optical excitation is used, only the semiconducting nanotubes produce an abnormal anti-Stokes Raman emission that grows when increasing the excitation light intensity or temperature. The Raman studies under light polarized relative to the main nanotube axis demonstrate that only semiconducting nanotubes are sensitive toward changes in the polarization of the excitation light. Copyright © 2014 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

A new method to fabricate an Fe-PZT core-shell wire arrays developed in three steps is reported in this paper. This involves the electrochemical growth of an iron wire array by template method, deposition by spin coating of the PZT precursor prepared by sol-gel technique on the iron wires surface and annealing treatment to obtain Fe-PZT core-shell structures. The structure of the Fe-PZT core-shell wire array was characterized by scanning electron microscopy (SEM) and Raman scattering. Raman lines situated at 372 and 575 cm−1 indicate the formation of the FeO particles on the Fe wires surface as a result of the use of an aqueous solution for electrochemical synthesis. An upshift of Raman lines of Fe decorated with FeO wires was observed after formation of Fe-PZT core-shell structure. The annealing treatment of this structure involves a partial transformation of the FeO into Fe2O3 particles both with structure rhombohedral and cubic that were evidenced by Raman lines peaked at 243 and 497 cm−1, respectively. [ABSTRACT FROM AUTHOR]

Abstract: Polarized Raman scattering studies on stiff layered structure of surfactant intercalated with trilayer graphene were performed at different intensities and excitation wavelengths. The D and 2D Raman bands reach the highest and lowest intensity when the polarization of laser excitation light is oriented along and perpendicular on the edges. The 2D band discloses two lorentzian components, separated by ∼40cm−1, which result from the action of interplanar forces, of Casimir nature. The value of ∼40cm−1 is close to the energy value associated with E2g interplanar layer shear mode evidenced so far only by neutron spectrometry. A new result regards the opposite variation of the intensities of D and 2D bands with the increase of the wavelength of the excitation light. This originates in the different origin of the D and 2D bands; the former is dependent on disorder including also the graphene edges while the latter, results from in a double resonant mechanism combined with a Casimir effect. One demonstrates that the magnitude of Casimir force, which activates interlayer vibration modes, depends on the carrier density on the graphene sheets which can be varied both by the intensity and the wavelength of the excitation laser light. [Copyright &y& Elsevier]

Abstract: Polydiphenylamine/single walled carbon nanotube (PDPA/SWNT) composites were synthesized electrochemically aiming at their application as active electrode materials for rechargeable lithium batteries. The electrochemical polymerization of diphenylamine (DPA) on a SWNT film immersed in a 1M HCl solution was studied by cyclic voltammetry. Comparing cyclic voltammograms recorded on a blank Pt electrode with those obtained for a SWNT film deposited on Pt electrode one observes in the latter case a decrease of the DPA reduction potential. To elucidate electrochemical polymerization mechanism, photoluminescence studies on DPA/SWNT and PDPA/SWNT systems were carried out. Additional information concerning the functionalization process of SWNT with PDPA was obtained by Raman and IR spectroscopy. Using the PDPA/SWNT composite as active material for the positive electrode of a rechargeable lithium cell (LiPF6 electrolyte), the charge–discharge tests show a specific discharge capacity of ca. 245mAhg−1, much higher than the 35mAhg−1 for pure PDPA. [ABSTRACT FROM AUTHOR]

In this work, synthesis and optical properties of a new composite based on poly(o-phenylenediamine) (POPD) fiber like structures, poly(vinylidene fluoride) (PVDF) spheres and double-walled carbon nanotubes (DWNTs) are reported. As increasing the PVDF weight in the mixture of the chemical polymerization reaction of o-phenylenediamine, the presence of the PVDF spheres onto the POPD fibers surface is highlighted by scanning electron microscopy (SEM). The down-shift of the Raman line from 1421 cm−1 to 1415 cm−1 proves the covalent functionalization of DWNTs with the POPD-PVDF blends. The changes in the absorbance of the IR bands peaked around 840, 881, 1240 and 1402 cm−1 indicate hindrance steric effects induced of DWNTs to the POPD fiber like structures and the PVDF spheres, as a consequence of the functionalization process of carbon nanotubes with macromolecular compounds. The presence of the PVDF spheres onto the POPD fiber like structures surface induces a POPD photoluminescence (PL) quenching process. An additional PL quenching process of the POPD-PVDF blends is reported to be induced in the presence of DWNTs. The studies of anisotropic PL highlight a change of the angle of the binding of the PVDF spheres onto the POPD fiber like structures surface from 50.2° to 38° when the carbon nanotubes concentration increases in the POPD-PVDF/DWNTs composites mass up to 2 wt.%. [ABSTRACT FROM AUTHOR]

Abstract: The bulk polymerization reaction of N-vinylcarbazole (VK) at 70°C in the presence of single-walled carbon nanotubes (SWNTs) leads to a new composite, whose optical properties were studied by photoluminescence (PL), surface enhanced Raman scattering (SERS) and Fourier transform infrared (FTIR) spectroscopies. A dramatic reduction of the poly(N-vinylcarbazole) (PVK) PL efficiency and a change in the vibrational structure of the PL spectrum of this polymer were observed by adding SWNTs to the synthesis mixture. Steric hindrance effects were evidenced both in SERS spectra of the VK when it interacts mechanico-chemically with SWNTs and in FTIR spectra of the un-doped PVK/SWNTs'' composites. Cyclic voltammetry was used to demonstrate the doping process of PVK in PVK/SWNTs'' composite. [Copyright &y& Elsevier]

Vibrational properties of composites based on single-walled carbon nanotubes (SWNTs) and conducting polymers of the type polyaniline (PANI) and poly (3,4-ethylene dioxythiophene) (PEDOT) are reported. For PANI-functionalized SWNTs, the intensity increase of the Raman band at 178 cm -1 , associated with radial breathing modes of SWNTs bundles, indicates an additional roping of nanotubes due to the presence of the polymer. The interaction of this composite with NH 4 OH solution involves an internal redox reaction between PANI and SWNTs. Thus, the polymer chain undergoes a transition from the semi-oxidized state into a reduced one. The functionalization of SWNT side walls with PEDOT is invoked as well. [ABSTRACT FROM AUTHOR]

A new method to obtain poly(vinyl chloride) (PVC) spheres, which consists of an interaction between commercial PVC grains and hexyl ethyl cellulose and lauroyl peroxide at a temperature of 60 °C, is reported. The addition of the graphene oxide (GO) sheets dispersed in dimethylformamide to the reaction mixture leads to the generation of composites made of PVC spheres coated with GO sheets. Scanning electron microscopy studies have demonstrated that this method allows for the transformation of PVC grains with sizes between 75 and 227 μm into spheres with sizes varying from 0.7 to 3.5 μm when the GO concentration in the PVC/GO composite mass increases from 0.5 to 5 wt.%. Our studies of Raman scattering and FTIR spectroscopy highlight a series of changes that indicate the appearance of ClCH=CH–, CH2=CCl–, and/or –CH=CCl– units as a result of PVC partial dehydrogenation. New –COO– and C–OH bonds on the GO sheet surfaces are induced during the preparation of PVC spheres coated with GO sheets. A photoluminescence (PL) band with a maximum at 325 nm is reported to characterize the PVC spheres. A PVC PL quenching process is demonstrated to be induced by the increase in the concentration of the GO sheets in the PVC/GO composite mass. The perspectives regarding the use of this composite as a flame-retardant material are also reported. [ABSTRACT FROM AUTHOR]

In this work, the effect of the single-walled carbon nanotubes (SWNTs) as the mixtures of metallic and semiconducting tubes (M + S-SWNTs) as well as highly separated semiconducting (S-SWNTs) and metallic (M-SWNTs) tubes on the photoluminescence (PL) of poly(3-hexyl thiophene) (P3HT) was reported. Two methods were used to prepare such composites, that is, the chemical interaction of the two constituents and the electrochemical polymerization of the 3-hexyl thiophene onto the rough Au supports modified with carbon nanotubes (CNTs). The measurements of the anisotropic PL of these composites have highlighted a significant diminution of the angle of the binding of the P3HT films electrochemical synthetized onto Au electrodes covered with M + S-SWNTs. This change was attributed to metallic tubes, as was demonstrated using the anisotropic PL measurements carried out on the P3HT/M-SWNTs and P3HT/S-SWNTs composites. Small variations in the angle of the binding were reported in the case of the composites prepared by chemical interaction of the two constituents. The proposed mechanism to explain this behavior took into account the functionalization process of CNTs with P3HT. The experimental arguments of the functionalization process of CNTs with P3HT were shown by the UV-VIS-NIR and FTIR spectroscopy as well as surface-enhanced Raman scattering (SERS). A PL quenching process of P3HT induced both in the presence of S-SWNTs and M-SWNTs was reported, too. This process origins in the various de-excitation pathways which can be developed considering the energy levels diagram of the two constituents of each studied composite. [ABSTRACT FROM AUTHOR]

A new composite base on reduced graphene oxide (RGO) and poly(5-amino-1-naphthol) (P5A1N) was synthesized by the electrochemical polymerization of 5-amino-1-naphthol (5A1N) in the presence of HClO4 and H4SiW12O40 onto the surface of Au electrode covered with the RGO sheets. The linear dependence of the current densities of the anodic and cathodic peaks with the scan rate of the potential range (0; 0.8) V vs. SCE, reported during electropolymerization of 5A1N, indicates an electron transfer that is controlled by diffusion. A covalent functionalization of the RGO sheets with P5A1N is argued by: (i) the simultaneous disappearance of the IR band at 1584 cm−1 and the appearance of the new IR bands at 812, 976 and 3744 cm−1, and (ii) the appearance of two Raman lines at 738 and 1428 cm−1. An application of the RGO sheets covalently functionalized with P5A1N is demonstrated to support 1,4-phenylene diisothiocyanate (PDITC), a compound used as a cross-linking agent for various biological applications. The chemical adsorption of PDITC onto the RGO sheets covalently functionalized with P5A1N, which involves the appearance of new functional groups of the type thiourea, was proven by Raman scattering and IR spectroscopy. [ABSTRACT FROM AUTHOR]

This paper tackles the influence of the functionalization of polystyrene and graphene oxide (GO) composites on the flammability characteristics. A microscale combustion calorimeter (MCC) was used to experimentally determine the heat release capacity (HRC), the specific heat release rate (HRR) and the total heat released (THR). Neural models were designed that correlate the THR with a number of parameters related to the composition and type of flame retardant used, the heating rate, the amount of residue, the HRC, the peak heat release rate (PHRR), the temperature at the peak pyrolysis rate (TPHRR) and the time elapsed until the occurrence of the peak heat release rate (Time). The best results in the training, validation and testing stages were achieved with the neural model with 9 neurons in the input layer, 40 neurons in the hidden layer and one neuron in the output layer. This model was incorporated into an optimization procedure, based on a genetic algorithm, to establish the values of the input parameters used in the training of the neural networks, in order to generate a minimum THR value, which is the output parameter. Since the synthesis of polystyrene particles with different GO concentrations is costly, this research helps to reduce the number of experimental tests and allows to determine the best GO concentration by means of neural models and genetic algorithms. [ABSTRACT FROM AUTHOR]

The aim of this work is to highlight the influence of UV light on the hydrolysis reaction of nifedipine (NIF) in the presence of alkaline solutions. In this context, the photodegradation of NIF in the absence of alkaline solutions caused (a) a change in the ratio between the absorbances of three bands in the UV-VIS spectra localized at 224–240 nm, 272–276 nm and 310–340 nm, assigned to the electronic transitions of -COOCH3 groups, -NO2 groups and a heterocycle with six atoms; (b) a red-shift of the photoluminescence (PL) band from 458 nm to 477 nm, simultaneous with an increase in its intensity; (c) a decrease in the ratio of the Raman line intensities, which peaked at 1224 cm−1 and 1649 cm−1, associated with the vibrational modes of -C-C-O in the ester group and C=C stretching; and (d) a decrease in the ratio between the absorbances of the IR bands, which peaked at 1493 cm−1 and 1223 cm−1, associated with the vibrational modes of the -NO2 group and C-N stretching. These changes were explained considering the NIF photodegradation reaction, which leads to the generation of the compound 4-(2-nitrosophenyl)-2.6-dimethyl-3.5-dimethoxy carbonyl pyridine. The interaction of NIF with NaOH in the absence of UV light was demonstrated to induce changes in the vibrational mode of the -C-C-O bond in the ester group. The photodegradation of NIF after its reaction with NaOH induces significant changes highlighted in its (a) UV-VIS spectra, by the shift of the absorption band at 238 nm; (b) PL spectra, by the supraunitary value of the ratio between the emission band intensities at 394–396 nm and 450 nm; (c) Raman spectra, by the change in the ratio between the intensities of the lines that peaked at 1224 cm−1 and 1649 cm−1 from 0.61 to 0.49; and (d) FTIR spectra, by the lowered absorbance of the IR band at 1493 cm−1 assigned to the vibrational mode of the -NO2 group as a result of the generation of the nitroso compound. These changes were explained considering the hydrolysis reaction products of NIF, as the nitroso compound is converted to a lactam-type compound. The photodegradation reaction rate constants of NIF and NIF after interaction with NaOH were also reported. The decrease in thermal stability of NIF samples after interaction with NaOH, as well as of NIF after exposure to UV light compared to NIF prior to exposure to UV light, was demonstrated by thermogravimetry, and the key fragments were confirmed by mass spectrometry. [ABSTRACT FROM AUTHOR]

In this work, applications of nanohybrid composites based on titanium dioxide (TiO2) with anatase crystallin phase and single-walled carbon nanohorns (SWCNHs) as promising catalysts for the photodegradation of amoxicillin (AMOX) are reported. In this order, TiO2/SWCNH composites were prepared by the solid-state interaction of the two chemical compounds. The increase in the SWCNH concentration in the TiO2/SWCNH composite mass, from 1 wt.% to 5 wt.% and 10 wt.% induces (i) a change in the relative intensity ratio of the Raman lines located at 145 and 1595 cm−1, which are attributed to the Eg(1) vibrational mode of TiO2 and the graphitic structure of SWCNHs; and (ii) a gradual increase in the IR band absorbance at 1735 cm−1 because of the formation of new carboxylic groups on the SWCNHs' surface. The best photocatalytic properties were obtained for the TiO2/SWCNH composite with a SWCNH concentration of 5 wt.%, when approx. 92.4% of AMOX removal was achieved after 90 min of UV irradiation. The TiO2/SWCNH composite is a more efficient catalyst in AMOX photodegradation than TiO2 as a consequence of the SWCNHs' presence, which acts as a capture agent for the photogenerated electrons of TiO2 hindering the electron–hole recombination. The high stability of the TiO2/SWCNH composite with a SWCNH concentration of 5 wt.% is proved by the reusing of the catalyst in six photodegradation cycles of the 98.5 μM AMOX solution, when the efficiency decreases from 92.4% up to 78%. [ABSTRACT FROM AUTHOR]

The aim of this work is to highlight the influence of blends based on TiO2 nanoparticles and reduced graphene oxide (RGO) on the photodegradation of acetaminophen (AC). To this end, the catalysts of TiO2/RGO blends with RGO sheet concentrations equal 5, 10, and 20 wt. % were prepared by the solid-state interaction of the two constituents. The preferential adsorption of TiO2 particles onto the RGO sheets' surfaces via the water molecules on the TiO2 particle surface was demonstrated by FTIR spectroscopy. This adsorption process induced an increase in the disordered state of the RGO sheets in the presence of the TiO2 particles, as highlighted by Raman scattering and scanning electron microscopy (SEM). The novelty of this work lies in the demonstration that TiO2/RGO mixtures, obtained by the solid-phase interaction of the two constituents, allow an acetaminophen removal of up to 95.18% after 100 min of UV irradiation. This TiO2/RGO catalyst induced a higher photodegradation efficiency of AC than TiO2 due to the presence of RGO sheets, which acted as a capture agent for the photogenerated electrons of TiO2, hindering the electron–hole recombination. The reaction kinetics of AC aqueous solutions containing TiO2/RGO blends followed a complex first-order kinetic model. Another novelty of this work is the demonstration of the ability of PVC membranes modified with Au nanoparticles to act both as filters for the removal of TiO2/RGO blends after AC photodegradation and as potential SERS supports, which illustrate the vibrational properties of the reused catalyst. The reuse of the TiO2/RGO blends after the first cycle of AC photodegradation indicated their suitable stability during the five cycles of pharmaceutical compound photodegradation. [ABSTRACT FROM AUTHOR]

The purpose of this work was to obtain an elastic composite material from polymer powders (polyurethane and polypropylene) with the addition of BaTiO3 until 35% with tailored dielectric and piezoelectric features. The filament extruded from the composite material was very elastic but had good features to be used for 3D printing applications. It was technically demonstrated that the 3D thermal deposition of composite filament with 35% BaTiO3 was a convenient process for achieving tailored architectures to be used as devices with functionality as piezoelectric sensors. Finally, the functionality of such 3D printable flexible piezoelectric devices with energy harvesting features was demonstrated, which can be used in various biomedical devices (as wearable electronics or intelligent prosthesis), generating enough energy to make such devices completely autonomous only by exploiting body movements at variable low frequencies. [ABSTRACT FROM AUTHOR]

In the view of the advantages of using P, N, Si and graphene oxide (GO) for the development of flame retardants materials, a multi-structure synergistic composite was synthesized by grafting a novel nitrogen-containing polyhedral oligomeric silsesquioxane (HAK) and 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide (DOPO) on the surface of GO nanosheet. In the first step, 2-hydroxyethyl acrylate was selectively reacted, and then, HAK was synthetized by the condensation of the aza-Michael addition product with 3-(methacryloyloxy)propyltrimethoxysilane. Finally, the GO obtained by an innovative variant of Marcano-Tour improved exfoliation method was functionalized, first with DOPO, and then with HAK. The structural, morphological and surface properties of GO and GO-DOPO-HAK were investigated by means of XRD, TEM–EDX, FT-IR, Raman, zeta potential and XPS techniques, and it was evidenced the functionalization of GO with DOPO, and then with HAK. The performed microscale combustion calorimetry (MCC) and TG measurements indicated a great potential of the GO-DOPO-HAK as flame retardant material as the obtained residual weight for this sample was found to be the highest one compared to the other investigated samples. MCC analyses further revealed a major decrease in heat release capacity (HRC) and a significant increase in char yield, results that confirm the great potential of GO-DOPO-HAK as flame retardancy material. [ABSTRACT FROM AUTHOR]

This article's objective is the synthesis of new composites based on thermoplastic polyurethane (TPU) and TiO2 nanowires (NWs) as free-standing films, highlighting their structural and optical properties. The free-standing TPU–TiO2 NW films were prepared by a wet chemical method accompanied by a thermal treatment at 100 °C for 1 h, followed by air-drying for 2 h. X-ray diffraction (XRD) studies indicated that the starting commercial TiO2 NW sample contains TiO2 tetragonal anatase (A), cubic Ti0.91O (C), and orthorhombic Ti2O3 (OR), as well as monoclinic H2Ti3O7 (M). In the presence of TPU, an increase in the ratio between the intensities of the diffraction peaks at 43.4° and 48° belonging to the C and A phases of titanium dioxide, respectively, is reported. The increase in the intensity of the peak at 43.4° is explained to be a consequence of the interaction of TiO2 NWs with PTU, which occurs when the formation of suboxides takes place. The variation in the ratio of the absorbance of the IR bands peaked at 765–771 cm−1 and 3304–3315 cm−1 from 4.68 to 4.21 and 3.83 for TPU and the TPU–TiO2 NW composites, respectively, with TiO2 NW concentration equal to 2 wt.% and 17 wt.%, indicated a decrease in the higher-order aggregates of TPU with a simultaneous increase in the hydrogen bonds established between the amide groups of TPU and the oxygen atoms of TiO2 NWs. The decrease in the ratio of the intensity of the Raman lines peaked at 658 cm−1 and 635 cm−1, which were assigned to the vibrational modes Eg in TiO2 A and Eg in H2Ti3O7 (ITiO2-A/IH2Ti3O7), respectively, from 3.45 in TiO2 NWs to 0.94–0.96 in the TPU–TiO2 NW composites, which indicates that the adsorption of TPU onto TiO2 NWs involves an exchange reaction of TPU in the presence of TiO2 NWs, followed by the formation of new hydrogen bonds between the -NH- of the amide group and the oxygen atoms of TixO2x-mn, Ti2O3, and Ti0.91O. Photoluminescence (PL) studies highlighted a gradual decrease in the intensity of the TPU emission band, which is situated in the spectral range 380–650 nm, in the presence of TiO2 NW. After increasing the TiO2 NW concentration in the TPU–TiO2 NW composite mass from 0 wt.% to 2 wt.% and 17 wt.%, respectively, a change in the binding angle of the TPU onto the TiO2 NW surface from 12.6° to 32° and 45.9°, respectively, took place. [ABSTRACT FROM AUTHOR]

In this paper, new results on the degradation of losartan potassium (LP, (1)), in the absence and presence of excipients, which was induced by UV light, the acid character of phosphate buffer solution (PBS) and alkaline medium, respectively, are reported through correlated studies of FTIR spectroscopy, photoluminescence and dielectric spectroscopy. The photoluminescence (PL) spectra of LP and the drug marked under the name Lorista (LO) are characterized by intense emission bands, peaking at 378 nm and 380 nm, respectively, accompanied by low intensity bands with a maximum at ~450–460 nm. Photodegradation of LO in a solid state is evidenced by a decrease in the intensity of the PL band at 380 nm, a variation that originates both in the adsorption of water vapors from the air and in the interaction of LP with excipients such as cornstarch, silicon dioxide and cellulose. The LP-water interaction is described, taking into account the main electrical parameters, i.e., complex dielectric permittivity and electrical conductivity. Photodegradation of LP and LO also induces an increase in the intensity of the emission band, at ~450–460 nm. The influence of acid and alkaline medium on the LO degradation is analyzed using phosphate buffer (PBS) and NaOH solutions, respectively. In both cases, a decrease in the intensity of the PL band, at 380 nm, is reported. The intensity diminution of the PL spectra of NaOH-reacted LP and LO is the result of the formation of the photodegradation product N-methanolamide-{[2′-(1H-tetrazol-5-yl)(1,1′-biphenyl)-4-yl]methyl} (2). This compound was proven by the studies of FTIR spectroscopy achieved on LP and NaOH-reacted LP. The appearance of the IR band at 1740 cm−1 and the increase in the absorbance in the IR band at 1423 cm−1 indicate that the photodegradation product (2) contains the C=O and C-OH functional groups. [ABSTRACT FROM AUTHOR]

Background: Alzheimer's disease has a significant epidemiological and socioeconomic impact, and, unfortunately, the extensive research focused on potential curative therapies has not yet proven to be successful. However, in recent years, important steps have been made in the development and functionalization of nanoporous alumina membranes, which might be of great interest for medical use, including the treatment of neurodegenerative diseases. In this context, the aim of this article is to present the synthesis and biocompatibility testing of a special filtrating nano-membrane, which is planned to be used in an experimental device for Alzheimer's disease treatment. Methods: Firstly, the alumina nanoporous membrane was synthesized via the two-step anodizing process in oxalic acid-based electrolytes and functionalized via the atomic layer deposition technique. Subsequently, quality control tests (spectrophotometry and potential measurements), toxicity, and biocompatibility tests (cell viability assays) were conducted. Results: The proposed alumina nanoporous membrane proved to be efficient for amyloid-beta filtration according to the permeability studies conducted for 72 h. The proposed membrane has proven to be fully compatible with the tested cell cultures. Conclusions: The proposed alumina nanoporous membrane model is safe and could be incorporated into implantable devices for further in vivo experiments and might be an efficient therapeutic approach for Alzheimer's disease. [ABSTRACT FROM AUTHOR]

This study investigated the mechanism of iron monosulfide (FeS) oxidation by dissolved oxygen (O 2(aq) ). Synthetic FeS was reacted with O 2(aq) for 6 days and at 25 °C. We have characterized the initial and reacted FeS surface using Scanning Electron Microscopy coupled with Energy Dispersive X-ray (SEM/EDX) analysis, Raman spectroscopy and Fourier transform infrared spectroscopy (FTIR). It was found that during the aqueous oxidation of FeS new solid phases (disulfide, polysulfide, elemental sulfur, ferric oxyhydroxides and Fe 3 O 4 ) develop on the mineral surface. The results of potentiodynamic polarization experiments show that after 2 days of FeS electrode immersion in oxygen bearing solution (OBS) at initial pH 5.1 and 25 °C the modulus of cathodic Tafel slopes dramatically decreases, from 393 mV/dec to 86 mV/dec. This decrease is ascribed to the change of the mechanism of electron transfer from cathodic sites to O 2 (mechanism of cathodic process). The oxidation current densities ( j ox ) indicate that mineral oxidative dissolution is not inhibited by pH increase up to 6.7. Another conclusion, which emerges from the analysis of j ox , is that the dissolved Fe 3+ does not intermediate the aqueous oxidation of FeS. The results of electrochemical impedance spectroscopy (EIS) show that after 2 days of contact between electrode and OBS the properties of FeS/water interface change. From the analysis of the EIS, FTIR spectroscopy, Raman spectroscopy and SEM/EDX data we can conclude that the change of FeS/water interface properties accompanies the formation of new solid phases on the mineral surface. The new characteristics of the surface layer and FeS/water interface do not cause the inhibition of mineral oxidation. [ABSTRACT FROM AUTHOR]

We demonstrate that under continuous single-beam excitation, one can generate an abnormal anti-Stokes Raman emission (AASRE) whose properties are similar to a coherent anti-Stokes Raman scattering. The effect has been observed in mesoscopic materials, which possess intrinsically nonlinear properties [lithium niobate (LiNbO3), bismuth germanium oxide (Bi12GeO20; BGO), bismuth silicon oxide (Bi12GeO20; BSO)], which have a nonzero electric susceptibility of the third order, χ(³) ≠ 0. Corroborated Raman and coherent backscattering studies demonstrate that the occurrence of both effects is conditioned by the existence of a mesoscopic morphology of the sample, which is able to ensure efficient transport of the light inside the sample through a multiple light scattering mechanism. In this context, both AASRE and coherent backscattering effects are because of the Anderson localization of the light. [ABSTRACT FROM AUTHOR]

New aspects concerning the photodegradation (PD) of ampicillin are reported by photoluminescence (PL), Raman scattering and FTIR spectroscopy. The exposure of ampicillin in the absence (AM) and in the presence of the excipient (AMP) to UV light leads to an intensity diminution of the photoluminescence excitation (PLE) and photoluminescence (PL) spectra and the emergence of a new IR band at 3450 cm−1. The photoluminescence studies demonstrate that the AM PD is amplified in the presence of excipients and an alkaline medium. In this last case, the PD process of AM involves the emergence of new compounds, whose presence is highlighted by: (i) the emergence of the isosbestic point at 300 nm in the UV-VIS spectra; (ii) a change in the ratio between the absorbance of IR bands situated in the spectral ranges 1200–1660 and 3250–3450 cm−1; and (iii) a change in the ratio between the intensities of the Raman lines localized in the spectral ranges 1050–1800 and 2750–3100 cm−1. A chemical mechanism of the PD processes of AM in an alkaline medium is proposed. [ABSTRACT FROM AUTHOR]

The effect of sodium thiosulfate (ST) on the photodegradation of azathioprine (AZA) was analyzed by UV-VIS spectroscopy, photoluminescence (PL), FTIR spectroscopy, Raman scattering, X-ray photoelectron (XPS) spectroscopy, thermogravimetry (TG) and mass spectrometry (MS). The PL studies highlighted that as the ST concentration increased from 25 wt.% to 75 wt.% in the AZA:ST mixture, the emission band of AZA gradual downshifted to 553, 542 and 530 nm. The photodegradation process of AZA:ST induced: (i) the emergence of a new band in the 320–400 nm range in the UV-VIS spectra of AZA and (ii) a change in the intensity ratio of the photoluminescence excitation (PLE) bands in the 280–335 and 335–430 nm spectral ranges. These changes suggest the emergence of new compounds during the photo-oxidation reaction of AZA with ST. The invoked photodegradation compounds were confirmed by studies of the Raman scattering, the FTIR spectroscopy and XPS spectroscopy through: (i) the downshift of the IR band of AZA from 1336 cm−1 to 1331 cm−1, attributed to N-C-N deformation in the purine ring; (ii) the change in the intensity ratio of the Raman lines peaking at 1305 cm−1 and 1330 cm−1 from 3.45 to 4.57, as the weight of ST in the AZA:ST mixture mass increased; and (iii) the emergence of a new band in the XPS O1s spectrum peaking at 531 eV, which was associated with the C=O bond. Through correlated studies of TG-MS, the main key fragments of ST-reacted AZA are reported. [ABSTRACT FROM AUTHOR]

We report new photoluminescence (PL) data generated by pulsed optical excitation on the composites achieved by a mechanico-chemical reaction between ZnS in the cubic (c) and wurtzite (w) phases and polyaniline-emeraldine base (PANI-EB). Under continuous and pulsed optical excitation, powders of the (w)ZnS and (w)ZnS/PANI-EB composites display PL with different spectral compositions. Contrary to expectations, the (c)ZnS and the (c)ZnS/PANI-EB composite displayed weak PL and decay time in the range of nanoseconds. This results from the great involvement of the surface states in nanometric powders which creates efficient channels for the non-radiative recombination of the carriers. [ABSTRACT FROM AUTHOR]

Abstract: Simple and low cost biosensor based on screen-printed electrode for sensitive detection of some alkylphenols was developed, by entrapment of HRP in a nanocomposite gel based on single-walled carbon nanotubes (SWCNTs) and 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]) ionic liquid. Raman and FTIR spectroscopy, CV and EIS studies demonstrate the interaction between SWCNTs and ionic liquid. The nanocomposite gel, SWCNT–[BMIM][PF6] provides to the modified sensor a considerable enhanced electrocatalytic activity toward hydrogen peroxide reduction. The HRP based biosensor exhibits high sensitivity and good stability, allowing a detection of the alkylphenols at an applied potential of −0.2V vs. Ag/AgCl, in linear range from 5.5 to 97.7μM for 4-t-octylphenol and respectively, between 5.5 and 140μM for 4-n-nonylphenol, with a response time of about 5s. The detection limit was 1.1μM for 4-t-octylphenol, and respectively 0.4μM for 4-n-nonylphenol (S/N=3). [Copyright &y& Elsevier]

Abstract: In this paper, we present the anti-Stokes Raman scattering as a technique allowing investigations of materials at a nanoscale level. When the energy of the excitation light coincides with the energy of an electronic transition, a strong anti-Stokes Raman spectrum with respect to the prediction of the Maxwell–Boltzman (MB) law is regularly observed. Under a tight-focusing of the excitation light, the anti-Stokes Raman emission is reminiscent of Coherent anti-Stokes Raman Scattering (CARS). It has been detected on carbon nanotubes (CNTs), prototypes of nanometric materials, as well as on other compounds such as copper phthalocyanine (CuPc), poly(bithiophene) (PBTh), poly(3,4-ethylene dioxythiophene) (PEDOT), polyparaphenylene vinylene (PPV) layered as thin films on a metallic support in which are generated surface plasmons. We demonstrate that nanostructures by themselves can be of importance by generating non-linear phenomena that can be exploited for studying such materials and in particular carbon nanotubes. [Copyright &y& Elsevier]

Abstract: We have characterized symmetric solid-state supercapacitors in swagelok cells using film electrodes made of novel hybrid materials based on multiwalled carbon nanotubes (CNT) and phosphomolybdate polyanion (Cs-PMo12) with PVA as binder. These hybrid materials were carried out by Cs-PMo12 adhesion onto previously functionalized CNT, in order to disperse both components at a molecular level and use Cs-PMo12 as energy density enhancer in supercapacitor cells. Our results show high capacitance values (up to 285F/g at I =200mA/g) due to the contribution of Cs-PMo12, which was revealed on the higher energy density values compared to pure CNT electrodes. Additionally, good stability was observed during 500 charge–discharge cycles for most hybrid electrodes. These preliminary results show a new approach to enhance energy density of double layer supercapacitor cells through the introduction of Cs-PMo12, whereas from a material science point of view these materials are innovative, and open the way to search for diverse applications aside from supercapacitors (sensors, catalysts, photovoltaic cells, etc.). [Copyright &y& Elsevier]

In this work, the photodegradation process of atorvastatin calcium (ATC) is reported as depending on: (1) the presence and the absence of excipients in the solid state; (2) the chemical interaction of ATC with phosphate buffer (PB) having pH equal to 7 and 8; and (3) hydrolysis reaction of ATC in the presence of aqueous solution of NaOH. The novelty of this work consists in the monitoring of the ATC photodegradation by photoluminescence (PL). The exposure of ATC in solid state to UV light induces the photo-oxygenation reactions in the presence of water vapors and oxygen from air. According to the X-ray photoelectron spectroscopic studies, we demonstrate that the photo-oxygenation reaction leads to photodegradation compounds having a high share of C=O bonds compared to ATC before exposure to UV light. Both in the presence of PB and NaOH, the photodegradation process of ATC is highlighted by a significant decrease in the intensity of the PL and photoluminescence excitation (PLE) spectra. According to PLE spectra, the exposure of ATC in the presence of NaOH to UV light leads to the appearance of a new band in the spectral range 340–370 nm, this belonging to the photodegradation products. Arguments concerning the chemical compounds, that resulted in this last case, are shown by Raman scattering and FTIR spectroscopy. [ABSTRACT FROM AUTHOR]

In this work, a complementary ultraviolet-visible (UV-VIS) spectroscopy and photoluminescence (PL) study on melatonin (MEL) hydrolysis in the presence of alkaline aqueous solutions and the photodegradation of MEL is reported. The UV-VIS spectrum of MEL is characterized by an absorption band with a peak at 278 nm. This peak shifts to 272 nm simultaneously with an increase in the band absorbance at 329 nm in the presence of an NaOH solution. The isosbestic point localized at 308 nm indicates the generation of some chemical compounds in addition to MEL and NaOH. The MEL PL spectrum is characterized by a band at 365 nm. There is a gradual decrease in the MEL PL intensity as the alkaline solution concentration added at the drug solution is increased. In the case of the MEL samples interacting with an alkaline solution, a new photoluminescence excitation (PLE) band at 335 nm appears when the exposure time to UV light reaches 310 min. A down-shift in the MEL PLE band, from 321 to 311 nm, as a consequence of the presence of excipients, is also shown. These changes are explained in reference to the MEL hydrolytic products. [ABSTRACT FROM AUTHOR]

Covalent immobilization of antibodies to protein G beads is a basic molecular biology method, although the beads present poor recovery results. Our aim was to reuse the immobilized antibody-protein G complex on a very small scale, therefore we optimized the crosslinking procedure to be used on the wells of a standard 96-well microplate. The method used involves the affinity binding of the antibody to the protein G surface, followed by the immobilization step using different crosslinking reagents, DMP and BS3, quenching the crosslinking reaction, and binding the antibody-specific antigen. By scaling down the procedure, we were able to reuse the anti-EGFR crosslinked wells more than 20 times. This method can be used to perform assays on a wide range of solid supports containing the protein G in an immobilized form, including functionalized nanosensors, for immunoprecipitation, protein and cell lysate purification, target protein enrichment. [ABSTRACT FROM AUTHOR]

The paper deals with a study of composites based on poly(p‐phenylenevinylene) (PPV) and reduced graphene oxide (RGO) in terms of photoconductivity and photocurrent (PC) dynamics in charge‐discharge cyclic processes. The explanation for the photoconductive behavior is built with the support of DeVore and Onsager theories. Scanning samples in both directions involves charge transport, to and from, available energy states called defect centers. The existence of these centers is confirmed by a decrease in the composite bandgap caused by the RGO localized states which are situated slightly above the first HOMO level in the PPV bandgap. The contribution of RGO to the photoconductive properties of PPV is revealed through a photocurrent value with two orders of magnitude higher than for PPV. [ABSTRACT FROM AUTHOR]

Abstract Azathioprine (Imuran), one of the oldest immunosuppressants, having been used in transplantation since the early 1960's, is known to have only two crystal forms: an anhydrous form and a dihydrate phase. We report the crystal structure of a new anhydrous solid-state form of Azathioprine, determined directly form powder X-Ray diffraction data, employing the direct-space genetic algorithm technique for structure solution, followed by Rietveld refinement. The new anhydrous polymorph is accessible only by a solid-state dehydration process of the readily obtained monohydrate form of Azathioprine, the form for which a crystal structure has not previously been reported. The IR and Raman spectra confirmed the results obtained from X-Ray diffraction indicating the presence of all functional groups involved in intermolecular hydrogen bonding which dictates different arrangement of molecules in the structural packing. Graphical abstract Image 1 Highlights • Crystal structure of a new anhydrous solid-state form of Azathioprine, determined directly form powder X-Ray diffraction data. • The IR and Raman spectra confirmed the results obtained from X-Ray diffraction. • Rietveld refinement and structure determination are explained. • The new anhydrous polymorph (Form II) of Azathioprine is accessible only by a solid-state. • Dehydration process. [ABSTRACT FROM AUTHOR]

Sensors based networked mesoporous SnO 2 nanostructures templated by non-ionic surfactant - Brij ® 35 were prepared via hydrothermal chemistry route. Specific patterns of the structure, morphology, surface chemistry and sensing properties were obtained by pH and autogenous pressure tuning. Consequently, the as-obtained SnO 2 powders were subjected to extensive BET, Raman, TEM, HRTEM and XPS complementary investigations. The sensitive films were obtained by screen printing deposition of the powders onto commercial Al 2 O 3 substrates. The gas sensing properties were assessed towards different hazardous gas species: CO, CH 4 , NH 3 , NO 2 , SO 2 and H 2 S over a wide range of operating temperatures. Our particular SnO 2 – HP sensor synthesized at high autogenous pressure showed the highest selective-sensitivity to H 2 S (<5 ppm) under 50% relative humidity (RH). The enhancement in the H 2 S sensitivity at low operating temperature under infield conditions was found to be closely connected to the morphological aspects and surface chemistry, peculiarities that can be assessed as consequences of the chemical tuning. [ABSTRACT FROM AUTHOR]

In this study, we compared the structural, morphological, and optical properties of a series of Zn 1-x Fe x O (x = 0.00, 0.01, and 0.03) powders synthesized via a hydrothermal route with and without cetyltrimethylammonium bromide as a cationic surfactant. Our results highlighted the critical effects of the surfactant and the iron concentration on the structure, morphology, and optical properties of ZnO. X-ray diffraction, Mössbauer spectroscopy, and X-ray photoelectron spectroscopy analyses indicated the presence of a single phase comprising ZnO with a hexagonal wurtzite structure in all samples and a single oxidation state (+3) for the iron (Fe 3+ ) that replaced Zn 2+ in the ZnO structure. Morphological investigations by scanning electron microscopy showed that the surfactant and Fe 3+ dopant greatly affected the shape of the ZnO grains, which varied between sheets and rod-like flowers. We found that the morphological and photocatalytic properties of the two series of samples comprising iron-doped ZnO with and without the surfactant were in opposition. We propose a possible growth mechanism for the ZnO polycrystalline grains in the presence of the Fe dopant and/or surfactant. The photocatalytic properties increased for the samples prepared with surfactant as the iron content increased, which was confirmed by ultraviolet-visible reflection measurements. The photocatalytic activities of the samples prepared without surfactant decreased in both the ultraviolet and visible spectral regions as the iron content increased in the samples. [ABSTRACT FROM AUTHOR]

Three phenacyl derivatives have been investigated as potential inhibitors for the aqueous oxidation of sphalerite (ZnS) in air-equilibrated solutions of HCl (pH 2.5 and 25 °C) using potentyodynamic polarization, aqueous batch experiments, scanning electron microscopy coupled with energy dispersive X-ray (SEM/EDX) analysis, Fourier transform infrared (FTIR) spectroscopy, Raman scattering and quantum chemical calculations. Findings show that the studied phenacyl derivatives are inhibitors of sphalerite aqueous oxidation. Quantum chemical calculations indicate that the adsorption of phenacyl derivatives on ZnS is energetically favorable and accounts for the observed inhibiting effects. [ABSTRACT FROM AUTHOR]

This paper reports on the aging of carbon nanowalls (CNW) and modification of their wettability by the storage time, growth conditions, and post-fabrication plasma treatments. The as-deposited CNW initially exhibit marked hydrophilic behavior (fresh CNW), but within a few days they become highly hydrophobic (aged CNW). Their final hydrophobicity is closely related to their topography which is controlled by the deposition parameters. In addition, subsequent fluorinated plasma treatments result in super-hydrophobic CNW layers, irrespective of the hydrophilic or hydrophobic character of the pre-treated samples. To explain this, we show that the CNW edges contain many defects initially, but such defects become passivated in time. As a result, the surfaces become highly hydrophobic after aging or fluorination, having inert stable terminations. [ABSTRACT FROM AUTHOR]