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121.
Juan Tapia-P Yipeng Cao Prof. Jaime Gallego Prof. Jorge M. Osorio-Guillén Prof. Dane Morgan Prof. Juan F. Espinal 《Chemphyschem》2022,23(11):e202200152
There is an ongoing effort to replace rare and expensive noble-element catalysts with more abundant and less expensive transition metal oxides. With this goal in mind, the intrinsic defects of a rhombohedral perovskite-like structure of LaMnO3 and their implications on CO catalytic properties were studied. Surface thermodynamic stability as a function of pressure (P) and temperature (T) were calculated to find the most stable surface under reaction conditions (P=0.2 atm, T=323 K to 673 K). Crystallographic planes (100), (111), (110), and (211) were evaluated and it was found that (110) with MnO2 termination was the most stable under reaction conditions. Adsorption energies of O2 and CO on (110) as well as the effect of intrinsic defects such as Mn and O vacancies were also calculated. It was found that O vacancies favor the interaction of CO on the surface, whereas Mn vacancies can favor the formation of carbonate species. 相似文献
122.
Castro Jorge Fernández Francisco Olivares Felipe Berríos Cristhian Garrido-Ramírez Elizabeth Blanco Elodie Escalona Néstor Aspée Alexis Barrías Pablo Ureta-Zañartu M. Soledad 《Journal of Solid State Electrochemistry》2021,25(1):117-131
Journal of Solid State Electrochemistry - 2,4,6-trichlorophenol (TCP) is a persistent pollutant introduced in water by industrial processes and pesticides. We have studied the electrooxidation of... 相似文献
123.
Díaz-Díaz Ana María López-Beceiro Jorge Li Yanchun Cheng Yi Artiaga Ramón 《Journal of Thermal Analysis and Calorimetry》2021,145(6):3125-3132
Journal of Thermal Analysis and Calorimetry - A model is proposed to fit differential scanning calorimetry (DSC) isothermal crystallization curves obtained from the molten state at different... 相似文献
124.
Daniel Zaragoza-Puchol Javier E. Ortiz Alejandro A. Orden Marianela Sanchez Jorge Palermo Alejandro Tapia Jaume Bastida Gabriela E. Feresin 《Molecules (Basel, Switzerland)》2021,26(1)
Plants in the Amaryllidaceae family synthesize a diversity of bioactive alkaloids. Some of these plant species are not abundant and have a low natural multiplication rate. The aims of this work were the alkaloids analysis of a Habranthus cardenasianus bulbs extract, the evaluation of its inhibitory activity against cholinesterases, and to test several propagation strategies for biomass production. Eleven compounds were characterized by GC-MS in the alkaloid extract, which showed a relatively high proportion of tazettine. The known alkaloids tazettine, haemanthamine, and the epimer mixture haemanthidine/6-epi-haemanthidine were isolated and identified by spectroscopic methods. Inhibitory cholinesterases activity was not detected. Three forms of propagation were performed: bulb propagation from seed, cut-induced bulb division, and micropropagated bulbs. Finally, different imbibition and post-collection times were evaluated in seed germination assays. The best propagation method was cut-induced bulb division with longitudinal cuts into quarters (T1) while the best conditions for seed germination were 0-day of post-collection and two days of imbibition. The alkaloids analyses of the H. cardenasianus bulbs showed that they are a source of anti-tumoral alkaloids, especially pretazettine (tazettine) and T1 is a sustainable strategy for its propagation and domestication to produce bioactive alkaloids. 相似文献
125.
We argue that recent results in string perturbation theory indicate that the four-graviton amplitude of four-dimensional N=8 supergravity might be ultraviolet finite up to eight loops. We similarly argue that the h-loop M-graviton amplitude might be finite for h<7+M/2. 相似文献
126.
do Nascimento CJ Figueroa-Villar JD 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2007,187(1):126-130
In this paper we carried out a comparison between all the possible selective versions of the basic heteronuclear correlation experiment, the FUCOUP sequence. We concluded that the best experiment is that one in which the selective pulse is given in the carbon dimension, which we called SHESSLOC (Selective HEteronuclear Simultaneous Short and LOng-range Correlations). The sensitivity of the sequence was improved with the introduction of pulsed field gradients. 相似文献
127.
Inés Sánchez-Movellán Jorge Moreno-Ceballos Dr. Pablo García-Fernández Prof. Jose Antonio Aramburu Prof. Miguel Moreno 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(54):13582-13590
In the search for new high-temperature superconductors, it has been proposed that there are strong similarities between the fluoroargentate AgF2 and the cuprate La2CuO4. We explored the origin of the possible layered structure of AgF2 by studying its parent high-symmetry phase and comparing these results with those of a seemingly analogous cuprate, CuF2. Our findings first stress the large differences between CuF2 and AgF2. Indeed, the parent structure of AgF2 is found to be cubic, naturally devoid of any layering, even though Ag2+ ions occupy trigonal sites that, nevertheless, allow the existence of a Jahn-Teller effect. The observed Pbca orthorhombic phase is found when the system is cooperatively distorted by a local E⊗e trigonal Jahn-Teller effect around the silver sites that creates both geometrical and magnetic layering. While the distortion implies that two Ag2+−F− bonds increase their distance by 15 % and become softer, our simulations indicate that covalent bonding and interlayer electron hopping is strong, unlike the situation in cuprate superconductors, and that, in fact, exfoliation of individual planes might be a harder task than previously suggested. As a salient feature, these results prove that the actual magnetic structure in AgF2 is a direct consequence of vibronic contributions involved in the Jahn-Teller effect. Finally, our findings show that, due to the multiple minima intrinsic to the Jahn-Teller energy surface, the system is ferroelastic, a property that is strongly coupled to magnetism in this argentate. 相似文献
128.
Synthesis and Conformational Analysis of Cyclic Homooligomers from Pyranoid ε‐Sugar Amino Acids 下载免费PDF全文
Dr. Andrés Feher‐Voelger Jorge Borges‐González Dr. Romen Carrillo Dr. Ezequiel Q. Morales Dr. Javier González‐Platas Dr. Tomás Martín 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(14):4007-4022
New pyranoid ε‐sugar amino acids were designed as building blocks, in which the carboxylic acid and the amine groups were placed in positions C2 and C3 with respect to the tetrahydropyran oxygen atom. By using standard solution‐phase coupling procedures, cyclic homooligomers containing pyranoid ε‐sugar amino acids were synthesized. Conformation analysis was performed by using NMR spectroscopic experiments, FTIR spectroscopic studies, X‐ray analysis, and a theoretical conformation search. These studies reveal that the presence of a methoxy group in the position C4 of the pyran ring produces an important structural change in the cyclodipeptides. When the methoxy groups are present, the structure collapses through interresidue hydrogen bonds between the oxygen atoms of the pyran ring and the amide protons. However, when the cyclodipeptide lacks the methoxy groups, a U‐shape structure is adopted, in which there is a hydrophilic concave face with four oxygen atoms and two amide protons directed toward the center of the cavity. Additionally, we found important evidence of the key role played by weak electrostatic interactions, such as the five‐membered hydrogen‐bonded pseudocycles (C5) between the amide protons and the ether oxygen atoms, in the conformation equilibrium of the macrocycles and in the cyclization step of the cyclic tetrapeptides. 相似文献
129.
Dr. Oliver Guillermet Dr. Ather Mahmood Dr. Jianshu Yang Dr. Jorge Echeverria Judicael Jeannoutot Dr. Sebastien Gauthier Dr. Christian Joachim Dr. Frederic Chérioux Prof. Dr. Frank Palmino 《Chemphyschem》2014,15(2):271-275
Thermally activated rotation of single molecules adsorbed on a silicon‐based surface between 77 and 150 K has been successfully achieved. This remarkable phenomenon relies on a nanoporous supramolecular network, which acts as a template to seed periodic molecule rotors on the surface. Thermal activation of rotation has been demonstrated by STM experiments and confirmed by theoretical calculations. 相似文献
130.
José C. González-Iñiguez Víctor M. Ovando-Medina Carlos F. Jasso-Gastinel Dora A. González Jorge E. Puig Eduardo Mendizábal 《Colloid and polymer science》2014,292(6):1269-1275
Nanoparticles of semiconducting polypyrrole (PPy) were synthesized by batch heterophase (BHP) and semicontinuous heterophase polymerization (SHP) using ferric chloride (FeCl3), potassium persulfate (KPS), or ammonium persulfate (APS) as the oxidizing agent, sodium dodecyl sulfate (SDS) as surfactant, and ethanol (EtOH) or iso-pentyl alcohol (iC5OH) as co-surfactants. In all cases, the molar ratios of monomer/oxidizing agent were 1/1. Pyrrol polymerization by BHP and SHP allowed using much lower percentages of surfactant than those employed in microemulsion polymerization of this monomer. The effects of temperature, oxidizing agent, and co-surfactant on conductivity were studied. The polymers were analyzed by transmission electron microscopy (TEM), UV/Visible and Fourier transform infrared (FTIR) spectroscopies, and cyclic voltammetry. Higher PPy conductivities were obtained by polymerizing at 0 °C with FeCl3 as the oxidizing agent, in the presence of iC5OH as co-surfactant. When the reaction was carried out by SHP with low reaction times, smaller particles with similar conductivities were obtained compared to those obtained by BHP; the conductivity of PPy decreases with increasing polymerization time, which can be explained by PPy overoxidation. 相似文献