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- ItemViscoelastic and self-healing behavior of silica filled ionically modified poly(isobutylene-co-isoprene) rubber(London : RSC Publishing, 2018) Sallat, Aladdin; Das, Amit; Schaber, Jana; Scheler, Ulrich; Bhagavatheswaran, Eshwaran S.; Stöckelhuber, Klaus W.; Heinrich, Gert; Voit, Brigitte; Böhme, FrankRubber composites were prepared by mixing bromobutyl rubber (BIIR) with silica particles in the presence of 1-butylimidazole. In addition to pristine (precipitated) silica, silanized particles with aliphatic or imidazolium functional groups, respectively, were used as filler. The silanization was carried out either separately or in situ during compounding. The silanized particles were characterized by TGA, 1H-29Si cross polarization (CP)/MAS NMR, and Zeta potential measurements. During compounding, the bromine groups of BIIR were converted with 1-butylimidazole to ionic imidazolium groups which formed a dynamic network by ionic association. Based on DMA temperature and strain sweep measurements as well as cyclic tensile tests and stress-strain measurements it could be concluded that interactions between the ionic groups and interactions with the functional groups of the silica particles strongly influence the mechanical and viscoelastic behavior of the composites. A particularly pronounced reinforcing effect was observed for the composite with pristine silica, which was attributed to acid-base interactions between the silanol and imidazolium groups. In composites with alkyl or imidazolium functionalized silica particles, the interactions between the filler and the rubber matrix form dynamic networks with pronounced self-healing behavior and excellent tensile strength values of up to 19 MPa. This new approach in utilizing filler-matrix interactions in the formation of dynamic networks opens up new avenues in designing new kinds of particle-reinforced self-healing elastomeric materials with high technological relevance.
- ItemElectronic, magnetic, optical and thermoelectric properties of Ca2Cr1−xNixOsO6 double perovskites(London : RSC Publishing, 2020) Bhandari, Shalika R.; Yadav, D.K.; Belbase, B.P.; Zeeshan, M.; Sadhukhan, B.; Rai, D.P.; Thapa, R.K.; Kaphle, G.C.; Ghimire, Madhav PrasadWith the help of density functional theory calculations, we explored the recently synthesized double perovskite material Ca2CrOsO6 and found it to be a ferrimagnetic insulator with a band gap of ∼0.6 eV. Its effective magnetic moment is found to be ∼0.23 μB per unit cell. The proposed behavior arises from the cooperative effect of spin–orbit coupling and Coulomb correlation of Cr-3d and Os-5d electrons along with the crystal field. Within the ferrimagnetic configuration, doping with 50% Ni in the Cr-sites resulted in a half-metallic state with a total moment of nearly zero, a characteristic of spintronic materials. Meanwhile, the optical study reveals that both ε1xx and ε1zz decrease first and then increase rapidly with increasing photon energy up to 1.055 eV. We also found optical anisotropy up to ∼14 eV, where the material becomes almost optically isotropic. This material has a plateau like region in the σxx and σzz parts of the optical conductivity due to a strong 3d–5d interband transition between Cr and Os. In addition, we performed thermoelectric calculations whose results predict that the material might not be good as a thermoelectric device due to its small power factor.
- ItemHigh performance stability of titania decorated carbon for desalination with capacitive deionization in oxygenated water(London : RSC Publishing, 2016) Srimuk, Pattarachai; Ries, Lucie; Zeiger, Marco; Fleischmann, Simon; Jäckel, Nicolas; Tolosa, Aura; Krüner, Benjamin; Aslan, Mesut; Presser, VolkerPerformance stability in capacitive deionization (CDI) is particularly challenging in systems with a high amount of dissolved oxygen due to rapid oxidation of the carbon anode and peroxide formation. For example, carbon electrodes show a fast performance decay, leading to just 15% of the initial performance after 50 CDI cycles in oxygenated saline solution (5 mM NaCl). We present a novel strategy to overcome this severe limitation by employing nanocarbon particles hybridized with sol–gel-derived titania. In our proof-of-concept study, we demonstrate very stable performance in low molar saline electrolyte (5 mM NaCl) with saturated oxygen for the carbon/metal oxide hybrid (90% of the initial salt adsorption capacity after 100 cycles). The electrochemical analysis using a rotating disk electrode (RDE) confirms the oxygen reduction reaction (ORR) catalytic effect of FW200/TiO2, preventing local peroxide formation by locally modifying the oxygen reduction reaction.
- ItemFacile one-pot hydrothermal synthesis of a zinc oxide/curcumin nanocomposite with enhanced toxic activity against breast cancer cells(London : RSC Publishing, 2023) Madeo, Lorenzo Francesco; Schirmer, Christine; Cirillo, Giuseppe; Froeschke, Samuel; Hantusch, Martin; Curcio, Manuela; Nicoletta, Fiore Pasquale; Büchner, Bernd; Mertig, Michael; Hampel, SilkeZinc oxide/Curcumin (Zn(CUR)O) nanocomposites were prepared via hydrothermal treatment of Zn(NO3)2 in the presence of hexamethylenetetramine as a stabilizing agent and CUR as a bioactive element. Three ZnO : CUR ratios were investigated, namely 57 : 43 (Zn(CUR)O-A), 60 : 40 (Zn(CUR)O-B) and 81 : 19 (Zn(CUR)O-C), as assessed by thermogravimetric analyses, with an average hydrodynamic diameter of nanoaggregates in the range of 223 to 361 nm. The interaction of CUR with ZnO via hydroxyl and ketoenol groups (as proved by X-ray photoelectron spectroscopy analyses) was found to significantly modify the key properties of ZnO nanoparticles with the obtainment of a bilobed shape (as shown by scanning electron microscopy), and influenced the growth process of the composite nanoparticles as indicated by the varying particle sizes determined by powder X-ray diffraction. The efficacy of Zn(CUR)O as anticancer agents was evaluated on MCF-7 and MDA-MB-231 cancer cells, obtaining a synergistic activity with a cell viability depending on the CUR amount within the nanocomposite. Finally, the determination of reactive oxygen species production in the presence of Zn(CUR)O was used as a preliminary evaluation of the mechanism of action of the nanocomposites.
- ItemMechanistic insight of TiCl4catalyzed formal [3 + 3] cyclization of 1,3-bis(silyl enol ethers) with 1,3-dielectrophiles(London : RSC Publishing, 2015) Nisa, Riffat Un; Maria, Maria; Wasim, Fatima; Mahmood, Tariq; Ludwig, Ralf; Ayub, KhurshidThe mechanism of TiCl4 mediated formal [3 + 3] cyclization of 1,3-bis(silyl enol ethers) with 1,3-dielectrophiles is studied at the B3LYP level of density functional theory (DFT) to rationalize the experimental regioselectivity. Methyl and trifluoromethyl substituted 1,3 dielectrophiles are studied theoretically since they show different regioselectivities. Two different mechanisms involving 1,2 and 1,4 addition of 1,3-bis(silyl enol ethers) on 1,3-dielectrophiles are studied for each dienophile. The intramolecular transition metal catalyzed and non-catalyzed dynamic shift of the silyl moiety is also studied. The structure of the 1,3 dienophile and the associated Mulliken charges are the driving forces for different regioselectivities in methyl and trifluoromethyl dienophiles.
- ItemDifferent transition metal combinations of LDH systems and their organic modifications as UV protecting materials for polypropylene (PP)(London : RSC Publishing, 2018) Naseem, Sajid; Lonkar, Sunil P.; Leuteritz, Andreas; Labuschagné, Frederick J. W. J.In this research, the use of layered double hydroxides (LDHs) as ultraviolet (UV) light-protecting additives for PP is explored. Different LDHs, such as ZnTi, ZnSn, ZnGa, ZnCr and CdCr LDHs, were prepared and their UV absorptions were characterized. The ZnTi LDHs showed higher UV absorption than the other four metallic combinations and were further organically modified with dodecylbenzene sodium sulfonate (SDBS) and lauric acid (LA). Nanocomposites of polypropylene (PP) with four different types of LDHs, ZnTi, ZnSn, ZnTi-SDBS and ZnTi-LA, were prepared at concentrations of 5%. The crystallinities and layered structures of all the metallic combinations of LDHs were characterized by wide angle X-ray spectroscopy (WAXS) and ultraviolet visible (UV-vis) absorption spectroscopy, and their crystal morphologies were studied by scanning electron microscopy (SEM). The decomposition and thermal properties of the nanocomposites and pure PP were analyzed by thermogravimetric analysis (TGA) and transmission electron microscopy (TEM) and by their photo-oxidation behavior. The addition of these organically modified and unmodified LDHs showed significant changes in the thermal decomposition of PP. The thermal stability of PP was increased to around 70 °C by the addition of SDBS-modified ZnTi LDHs (5% by weight), and an increase in induction time of about 300% was determined.
- ItemSPION@polydehydroalanine hybrid particles(London : RSC Publishing, 2015) von der Lühe, Moritz; Günther, Ulrike; Weidner, Andreas; Gräfe, Christine; Clement, Joachim H.; Dutz, Silvio; Schacher, Felix H.It is generally accepted that a protein corona is rapidly formed upon exposure of nanoparticles to biological fluids and that both the amount and the composition of adsorbed proteins affect the dispersion properties of the resulting particles. Hereby, the net charge and overall charge density of the pristine nanoparticles are supposed to play a crucial role. In an attempt to control both charge and charge distribution, we report on the coating of superparamagnetic iron oxide nanoparticles (SPIONs) with different polyelectrolytes. Starting from orthogonally protected polydehydroalanine, the material can be easily transformed into a polyanion (poly(tert-butoxycarbonyl acrylic acid), PtBAA), polycation (poly(aminomethylacrylate), PAMA), or even a polyzwitterion (polydehydroalanine, PDha). While coating of SPIONs with PtBAA and PDha was shown to be successful, approaches using PAMA have failed so far. The dispersion properties of the resulting hybrid particles have been investigated using dynamic light scattering (DLS), zeta-potential, and TEM measurements – the amount of adsorbed polymer was quantified using vibrating sample magnetometry (VSM) and thermogravimetric analysis (TGA).
- ItemPhotocatalytic degradation and toxicity evaluation of diclofenac by nanotubular titanium dioxide–PES membrane in a static and continuous setup(London : RSC Publishing, 2015) Fischer, K.; Kühnert, M.; Gläser, R.; Schulze, A.Diclofenac is a commonly used anti-inflammatory drug, which has been found in surface waters. Advanced oxidation processes (AOPs) seem to be the most suitable technique to prevent the entry of diclofenac and other pollutants into surface waters. TiO2 is especially reliable in mineralizing many organic molecules. The combination of TiO2 nanotubes with a polymer microfiltration membrane (polyethersulfone, PES) showed high photocatalytic activity by degrading diclofenac combined with an excellent membrane performance and long-term stability. By continuously degrading pollutants from water via a cross-flow setup, the molecules to be degraded are transported right to the membrane surface so that the overall reaction rate is increased. The toxicity of diclofenac was reduced by photocatalysis and photolysis; however, photocatalysis had greater impact. Moreover, the complete degradation of pollutants is very important to avoid highly toxic intermediate products.
- ItemInvestigating the magnetic and magnetocaloric behaviors of LiSm(PO3)4(London : RSC Publishing, 2023) Tran, T.A.; Petrov, Dimitar N.; Phan, T.L.; Tu, B. D.; Nhat, H.N.; Tran, H.C.; Weise, B.; Cwik, J.; Koshkid'ko, Yu S.; Manh, T.V.; Hoang, T.P.; Dang, N.T.We report a detailed study on the magnetic behaviors and magnetocaloric (MC) effect of a single crystal of lithium samarium tetraphosphate, LiSm(PO3)4. The analyses of temperature-dependent magnetization data have revealed magnetic ordering established with decreasing temperature below Tp, where Tp is the minimum of a dM/dT vs. T curve and varies as a linear function of the applied field H. The Curie temperature has been extrapolated from Tp(H) data, as H → 0, to be about 0.51 K. The establishment of magnetic-ordering causes a substantial change in the heat capacity Cp. Above Tp, the crystal exhibits paramagnetic behavior. Using the Curie-Weiss (CW) law and Arrott plots, we have found the crystal to have a CW temperature θCW ≈ −36 K, and short-range magnetic order associated with a coexistence of antiferromagnetic and ferromagnetic interactions ascribed to the couplings of magnetic dipoles and octupoles at the Γ7 and Γ8 states. An assessment of the MC effect has shown increases in value of the absolute magnetic-entropy change (|ΔSm|) and adiabatic-temperature change (ΔTad) when lowering the temperature to 2 K, and increasing the magnetic-field H magnitude. Around 2 K, the maximum value of |ΔSm| is about 3.6 J kg−1 K−1 for the field H = 50 kOe, and ΔTad is about 5.8 K for H = 20 kOe, with the relative cooling power (RCP) of ∼82.5 J kg−1. In spite of a low MC effect in comparison to Li(Gd,Tb,Ho)(PO3)4, the absence of magnetic hysteresis reflects that LiSm(PO3)4 is also a candidate for low-temperature MC applications below 25 K.
- ItemConstruction of cost-effective bimetallic nanoparticles on titanium carbides as a superb catalyst for promoting hydrolysis of ammonia borane(London : RSC Publishing, 2018) Guo, Zhangwei; Liu, Tong; Wang, Qingtao; Gao, GuanhuiBimetallic cost-effective CoNi nanoparticles (NPs) are conveniently supported on titanium carbides (MXene) by a simple one-step wet-chemical method. The synthesized CoNi/MXene catalysts are characterized by XPS, TEM, STEM-HAADF and ICP-AES. The as-prepared CoNi NPs with a size of 2.8 nm are well dispersed on the MXene surface. It is found that among the CoNi bimetallic system, Co0.7Ni0.3 shows the best performance toward catalyzing ammonia borane (AB) decomposition with a turnover frequency value of 87.6 molH2 molcat−1 min−1 at 50 °C. The remarkable catalytic performance is attributed to the mild affiliation of MXene to NPs, which not only stabilizes NPs to maintain a good dispersion but also leaves sufficient surface active sites to facilitate the catalytic reaction.