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101.
González-Gallardo S Jancik V Delgado-Robles AA Moya-Cabrera M 《Inorganic chemistry》2011,50(10):4226-4228
The cyclic alumosiloxane [{LAl(μ-O)(Ph(2)Si)(μ-O)}(2)] (3) and alumosilicate [{LAl(μ-O){((t)BuO)(2)Si}(μ-O)}(2)] (4) were obtained by reaction of the appropriate R(2)Si(OH)(2) precursor (R = Ph, O(t)Bu) with [{LAl(H)}(2)(μ-O)] (1), providing a nice illustration of the Loewenstein rule at work at the molecular level. 相似文献
102.
González Cabrera D Koivisto BD Leigh DA 《Chemical communications (Cambridge, England)》2007,(41):4218-4220
A series of mono- and bis-metallated [2]rotaxanes has been prepared using a CuAAC 'click' protocol that is compatible with metal-coordinated building blocks and ligands; the methodology provides a general means for appending a metal ion or complex to an organic scaffold via Cu(I)-catalysed 'click' chemistry, even when the molecule contains redox-active or kinetically labile metals or vacant ligand sites. 相似文献
103.
Karina González‐Segura Paulina Cañete‐Rosales Rodrigo del Rio Claudia Yáñez Nancy F. Ferreyra Gustavo A. Rivas Soledad Bollo 《Electroanalysis》2012,24(12):2317-2323
The electrochemical response of a glassy carbon electrode modified with carbon nanotubes (CNT) dispersed in two solvents, water and DMF, and two polymers, chitosan and Nafion is reported. The films were homogeneous when the dispersing agent was water or DMF. In the case of polymers, the surfaces present areas with different density of CNTs. A more sensitive electrochemical response was obtained when CNTs are dispersed in the solvents. In the case of CNT dispersed with polymers, the nature of the polymer demonstrated to be a critical parameter not only for dispersing the nanotubes but also for the electrochemical activity of the resulting electrodes. 相似文献
104.
Estimation and correction of matrix effects in gas chromatographic pesticide multiresidue analytical methods with a nitrogen-phosphorus detector 总被引:1,自引:0,他引:1
Egea González FJ HernándezTorres ME Cuadros Rodríguez L Almansa López E Martínez Vidal JL 《The Analyst》2002,127(8):1038-1044
The assessment of matrix effects in the quantification of organophosphorus pesticides in fruit and vegetables by GC-NPD, were studied applying ANCOVA. Calibration curves prepared in solvent were compared with calibration curves prepared in a blank matrix extract for eight different commodities, establishing whether the matrix induces systematic or proportional errors in the quantification of the pesticides. In such cases correction functions were obtained and validated by quantifying spiked samples using solvent calibrations and applying the correction functions to the data obtained. The results were compared with those obtained by quantification using matrix-matching calibrations and with those from 100% recovery experiments. It was found that the matrix effects can be avoided using the correction functions. Finally the contribution of the correction functions to the uncertainty of the results was estimated as well as their stability during a four month period. 相似文献
105.
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107.
Francisco J. Prado‐Prado Florencio M. Ubeira Fernanda Borges Humberto González‐Díaz 《Journal of computational chemistry》2010,31(1):164-173
In the previous work, we reported a multitarget Quantitative Structure‐Activity Relationship (mt‐QSAR) model to predict drug activity against different fungal species. This mt‐QSAR allowed us to construct a drug–drug multispecies Complex Network (msCN) to investigate drug–drug similarity (González‐Díaz and Prado‐Prado, J Comput Chem 2008, 29, 656). However, important methodological points remained unclear, such as follows: (1) the accuracy of the methods when applied to other problems; (2) the effect of the distance type used to construct the msCN; (3) how to perform the inverse procedure to study species–species similarity with multidrug resistance CNs (mdrCN); and (4) the implications and necessary steps to perform a substructural Triadic Census Analysis (TCA) of the msCN. To continue the present series with other important problem, we developed here a mt‐QSAR model for more than 700 drugs tested in the literature against different parasites (predicting antiparasitic drugs). The data were processed by Linear Discriminate Analysis (LDA) and the model classifies correctly 93.62% (1160 out of 1239 cases) in training. The model validation was carried out by means of external predicting series; the model classified 573 out of 607, that is, 94.4% of cases. Next, we carried out the first comparative study of the topology of six different drug–drug msCNs based on six different distances such as Euclidean, Chebychev, Manhattan, etc. Furthermore, we compared the selected drug–drug msCN and species–species mdsCN with random networks. We also introduced here the inverse methodology to construct species–species msCN based on a mt‐QSAR model. Last, we reported the first substructural analysis of drug–drug msCN using Triadic Census Analysis (TCA) algorithm. © 2009 Wiley Periodicals, Inc. J Comput Chem 2010 相似文献
108.
Dr. Juan M. Ortiz‐Sánchez Dr. Ricard Gelabert Prof. Miquel Moreno Prof. José M. Lluch 《Chemphyschem》2010,11(17):3696-3703
A quantum electronic study of the effect of substituents on (2,2′‐bipyridyl)‐3,3′‐diol and (2,2′‐bipyridyl)‐3,3′‐diamine is presented. A large difference in the photochemical behavior between the original and the substituted selected systems is expected. For the sake of simplicity, the study is restricted to the symmetrically bi‐substituted compounds: fluorine, the more electronegative atom and thus a strong σ‐acceptor but also a weak π‐donor group, and NO2, a strong π‐acceptor substituent. Among the large set of compounds studied, two receive special attention: 5,5′‐dinitro‐(2,2′‐bipyridyl)‐3,3′‐diamine and 6,6′‐difluoro‐(2,2′‐bipyridyl)‐3,3′‐diol. While in the former case the nitro substitution transforms (2,2′‐bipyridyl)‐3,3′‐diamine, previously suggested to behave as a photomemory material, into a simple fluorescent species, the latter substitution turns (2,2′‐bipyridyl)‐3,3′‐diol into a fresh new candidate for a photomemory device. 相似文献
109.
Lydia A. Panther Dr. Daniel P. Guest Dr. Andrew McGown Hugo Emerit Dr. Raysa Khan Tareque Dr. Arathy Jose Mr. Chris M. Dadswell Dr. Simon J. Coles Dr. Graham J. Tizzard Dr. Ramón González-Méndez Dr. Charles A. I. Goodall Prof. Mark C. Bagley Prof. John Spencer Dr. Barnaby W. Greenland 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(49):e202201444
Solvent-free synthesis by using a vibratory ball mill (VBM) offers the chance to access new chemical reactivity, whilst reducing solvent waste and minimising reaction times. Herein, we report the core functionalisation of N,N’-bis(2-ethylhexyl)-2,6-dibromo-1,4,5,8-naphthalenetetracarboxylic acid (Br2-NDI) by using Suzuki, Sonogashira and Buchwald–Hartwig coupling reactions. The products of these reactions are important building blocks in many areas of organic electronics including organic light-emitting diodes (OLEDs), organic field-effect transistors (OFETs) and organic photovoltaic cells (OPVCs). The reactions proceed in as little as 1 h, use commercially available palladium sources (frequently Pd(OAc)2) and are tolerant to air and atmospheric moisture. Furthermore, the real-world potential of this green VBM protocol is demonstrated by the double Suzuki coupling of a monobromo(NDI) residue to a bis(thiophene) pinacol ester. The resulting dimeric NDI species has been demonstrated to behave as an electron acceptor in functioning OPVCs. 相似文献
110.
Arboleda Paula A. Rincón Jesús Ma. González Oliver Carlos J. R. 《Journal of Thermal Analysis and Calorimetry》2022,147(21):11715-11728
Journal of Thermal Analysis and Calorimetry - A new set of iron-uranium phosphate glasses containing (1–20) UO2.67. (10–20) Fe2O3. (55–68) P2O5 (mass/%) were melted adequately.... 相似文献