Blochwaddell9343

The search for alternative, biodegradable, and sustainable raw materials to replace finite petrochemicals is an area of great interest. Triglycerides obtained from oilseed crops are such potential raw materials. In this study, sesame oil was trans-esterified to sesame fatty methyl esters (SEFAMEs) that were used as precursors in the synthesis of sesame fatty methyl esters sulfonate (SEFAMESO) surfactant. SEFAME and SEFAMESO surfactants were characterized by high-performance liquid chromatography-mass spectrometry (HPLC-MS), 1H NMR, and Fourier transform infrared (FTIR) spectra. HPLC-MS, 1H NMR, and FTIR spectra indicated successful trans-esterification and conversion of SEFAMEs to SEFAMESO. Solution properties of the SEFAMESO surfactant including hydrophilic-lipophilic balance (HLB) value, Krafft point, foam-ability, critical micelle concentration (CMC), counterion degree of binding and thermodynamic parameters such as ΔG°mic, ΔH°mic, ΔS°mic, ΔH°mic,* and TC were evaluated. The CMC values of SEFAMESO at 298.15 K were relatively lower than that of the sodium dodecyl sulfate (SDS) standard, and these values decreased to a minimum at 303.15 K and then increased with an increase in temperature. ΔG°mic values were negative indicating a spontaneous micellization process. ΔH°mic and ΔS°mic values revealed that micellization was entropy-driven at low temperatures and both entropy- and enthalpy-driven at high temperatures. ΔH°mic,* values were negative suggesting formation of stable micelles. The evaluated properties revealed the potential application of the synthesized surfactant as a cleansing agent.The phonon transport properties of CuSCN and CuSeCN have been investigated using the density functional theory and semiclassical Boltzmann transport theory. The Perdew-Burke-Ernzerhof functional shows an indirect (direct) electronic band gap of 2.18 eV (1.80 eV) for CuSCN (CuSeCN). The calculated phonon band structure shows that both compounds are dynamically stable. The Debye temperature of the acoustic phonons is 122 and 107 K for CuSCN and CuSeCN, respectively. The extended in-plane bond lengths as compared to the out-of-plane bond lengths result in phonon softening and hence, low lattice thermal conductivity. The calculated room temperature in-plane (out-of-plane) lattice thermal conductivity of CuSCN and CuSeCN is 2.39 W/mK (4.51 W/mK) and 1.70 W/mK (3.83 W/mK), respectively. The high phonon scattering rates in CuSeCN give rise to in-plane low lattice thermal conductivities. The room-temperature Grüneisen parameters of CuSCN and CuSeCN are found to be 0.98 and 1.08, respectively.A novel method for condensation reaction of indan-1,3-dione with various aldehydes which are efficiently catalyzed by a task-specific ionic liquid, 2-hydroxyethylammonium formate, to provide the corresponding 2-arylidenindane-1,3-diones has been developed. This green, low-cost, high-yield, and fast reaction takes place at room temperature without the use of any solvent and catalyst. A plausible reaction mechanism that involves ionic liquid-assisted activation is also discussed. This work is the first report of ionic liquids as a reaction medium and catalyst for the synthesis of 2-arylidenindane-1,3-diones.Reaction of the Pt(II) complexes [PtMe2(pbt)], 1a, (pbt = 2-(2-pyridyl)benzothiazole) and [PtMe(C^N)(PPh2Me)] [C^N = deprotonated 2-phenylpyridine (ppy), 1b, or deprotonated benzo[h]quinoline (bhq), 1c] with benzyl bromide, PhCH2Br, is studied. The reaction of 1a with PhCH2Br gave the Pt(IV) product complex [PtBr(CH2Ph)Me2(pbt)]. The major trans isomer is formed in a trans oxidative addition (2a), while the minor cis products (2a' and 2a″) resulted from an isomerization process. A solution of Pt(II) complex 1a in the presence of benzyl bromide in toluene at 70 °C after 7 days gradually gave the dibromo Pt(IV) complex [Pt(Br)2Me2(pbt)], 4a, as determined by NMR spectroscopy and single-crystal XRD. The reaction of complexes 1b and 1c with PhCH2Br gave the Pt(IV) complexes [PtMeBr(CH2Ph)(C^N)(PPh2Me)] (C^N = ppy; 2b; C^N = bhq, 2c), in which the phosphine and benzyl ligands are trans. Multinuclear NMR spectroscopy ruled out other isomers. Attempts to grow crystals of the cycloplatinated(IV) complex 2b yielded a previously reported Pt(II) complex [PtBr(ppy)(PPh2Me)], 3b, presumably from reductive elimination of ethylbenzene. UV-vis spectroscopy was used to study the kinetics of reaction of Pt(II) complexes 1a-1c with benzyl bromide. The data are consistent with a second-order SN2 mechanism and the first order in both the Pt complex and PhCH2Br. The rate of reaction decreases along the series 1a ≫ 1c > 1b. Density functional theory calculations were carried out to support experimental findings and understand the formation of isomers.We have developed structurally unique bifunctional chelators in the NETA, NE3TA, and DEPA series for potential radiopharmaceutical applications. As part of our continued research efforts to generate efficient bifunctional chelators for targeted radionuclide therapy and imaging of various diseases, we designed a scorpion-like chelator that is proposed to completely saturate the coordination spheres of Y(III) and Lu(III). We herein report the synthesis and evaluation of a new chelator (3p-C-NEPA) with 10 donor groups for complexation with β-emitting radionuclides 90Y(III), 86Y(III), and 177Lu(III). The chelator was synthesized and evaluated for radiolabeling kinetics with the readily available radioisotopes 90Y and 177Lu, and the corresponding 90Y or 177Lu-radiolabeled complexes were evaluated for in vitro stability in human serum and in vivo complex stability in mice. The new chelator rapidly bound 90Y or 177Lu and formed a stable complex with the radionuclides. The new chelator 3p-C-NEPA radiolabeled with either 90Y or 177Lu remains stable in human serum without dissociation for 10 days. 177Lu-labeled 3p-C-NEPA produced a favorable in vivo biodistribution profile in normal mice.We have developed a new family of luminescent materials featuring through-space charge transfer from electron donors to acceptors that are electronically separated by triptycene. Most of these molecules are highly fluorescent, and modulation of their emissions was achieved by tuning the electron-accepting strength in a range from the weak triptycene acceptor over triarylborane (BMes) to strongly accepting naphthalimide (Npa) moieties. Pz-Pz shows an aggregation-induced emission in aggregates and in the solid state coupled with a highly red-shifted broad emission (ca. 160 nm) of the excimer, indicating that phenothiazine (Pz) also plays a vital role in the emission responses as an electron donor. This work may help develop new approaches to photophysical mechanism based on the rigid, homoconjugated, and structurally unusual 3D triptycene scaffold.The structure of a Ni/Al2O3 monolithic catalyst after methanation reaction and its methanation performance were studied by taking analogue syngas of biomass gasification H2/CO/N2 as feed gas when the temperature ranged from 250 to 550 °C, and the weight hourly space velocity (WHSV) was between 6000 and 14,000 mL g-1 h-1. The Ni/Al2O3 catalysts using cordierite honeycomb ceramics as the substrate were prepared by dipping and sol-gel methods. The results show that the Ni/Al2O3 catalyst prepared by the dipping method (DIP-Ni/Al2O3) has better methanation performance than the Ni/Al2O3 catalyst prepared by the sol-gel method (SG-Ni/Al2O3) through many tests such as TEM, BET, XRD, H2-TPD, H2-TPR, and TG analysis. The DIP-Ni/Al2O3 catalyst exhibits the best methanation performance at 400 °C when the molar ratio of H2, CO, and N2 is 3/1/1 and the WHSV is 10,000 mL g-1 h-1. Under this condition, the CO conversion and CH4 selectivity are 98.6 and 90.9%, respectively. In addition, the methanation performance of the DIP-Ni/Al2O3 catalyst is relatively more stable, and the CO conversion and CH4 selectivity were basically maintained at around 90% within the experimental WHSV range. Selleckchem Terfenadine The influence of Ni content on the methanation performance of the DIP-Ni/Al2O3 catalyst can be seen in the order from high to low of methanation performance 15% Ni, 20% Ni, and 10% Ni, and the maximum values of CO conversion and CH4 selectivity reach 96.8 and 96%, respectively, at 400 °C for 15% Ni/Al2O3.The aim of this study was to determine the operating parameters of bioethanol burners used in the so-called bioethanol fireplaces, mainly in terms of their actual heat output. The method used to determine the actual heat output was designed considering procedures from the standard EN 16647 fireplaces for liquid fuel. Experiments were carried out on eight different types of burners with two different types of fuels. The measurements demonstrated a difference of up to 19% in the maximal heat output among individual fuels and a difference of up to 16% in the average heat output when comparing identical burners over approximately 60 min of operation. The average heat outputs of the burners during the measurements reached approximately 41-62% of the heat output declared by the manufacturers. The measured values were used to create graphs of the dependency of the burner opening size on its average heat output based on the fuel type. Two-chambered burners reached a higher average heat output than single-chambered burners with the same burner opening area of above ∼6000 mm2. The positions of the regulation damper (75 and 50%) increased the burning time by 21 and 86%, respectively.To improve the utilization of mine gas concentration monitoring data with deep learning theory, we propose a gas concentration forecasting model with a bidirectional gated recurrent unit neural network (Adamax-BiGRU) using an adaptive moment estimation maximum (Adamax) optimization algorithm. First, we apply the Laida criterion and Lagrange interpolation to preprocess the gas concentration monitoring data. Then, the MSE is used as the loss function to determine the parameters of the hidden layer, hidden nodes, and iterations of the BiGRU model. Finally, the Adamax algorithm is used to optimize the BiGRU model to forecast the gas concentration. The experimental results show that compared with the recurrent neural network, LSTM, and gated recurrent unit (GRU) models, the error of the BiGRU model on the test set is reduced by 25.58, 12.53, and 3.01%, respectively. Compared with other optimization algorithms, the Adamax optimization algorithm achieved the best forecasting results. Thus, Adamax-BiGRU is an effective method to predict gas concentration values and has a good application value.Silk fibroin (SF) hydrogels find wide applications in tissue engineering. However, their scope has been limited due to the long gelation time in ambient conditions. This paper shows the reduction in gelation time of silk fibroin to minutes upon doping with a newly synthesized lauric acid sophorolipid (LASL). LASL comprises a fatty acid, lauric acid (with a 12-carbon aliphatic chain), that is derivatized by glucose molecules using a non-pathogenic yeast Candida bombicola. LASL was characterized using spectroscopic (Fourier transform infrared spectroscopy) and chromatographic (high-performance liquid chromatography, thin-layer chromatography, and high-resolution mass spectrometry) methods. This gelation of SF is comparable to the effect of an anionic surfactant, sodium dodecyl sulfate (SDS). The microstructure of SF-LASL hydrogels was investigated by small-angle neutron scattering (SANS) measurements and exhibited the beads-on-a-necklace model. The rheological properties of these hydrogels show similarity to SF-SDS hydrogels, therefore presenting a greener alternative for tissue engineering applications.