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41.
John N. Low Debbie Cannon Antonio Quesada Antonio Marchal Manuel Melguizo Manuel Nogueras Adolfo Snchez Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):604-607
In the title compound, 2C10H15N5O4·0.5H2O, there are two independent molecules of the pyrimidinylisoleucine in general positions and a water molecule lying on a twofold rotation axis. The bond lengths within the organic moieties demonstrate significant polarization of the electronic structure. Each of the organic molecules participates in 12 intermolecular hydrogen bonds, of O—H?O and N—H?O types, while the water molecule acts as a double donor and as a double acceptor of O—H?O hydrogen bonds. The organic components are linked by the hydrogen bonds into a single three‐dimensional framework, reinforced by the water molecules. 相似文献
42.
43.
J. Fernndez-Ochoa J. Martínez-Moreno J.M. Quesada 《Journal of Approximation Theory》2006,140(2):147-153
Let hp, 1<p<∞, be the best ℓp-approximation of the element from a proper affine subspace K of , hK, and let denote the strict uniform approximation of h from K. We prove that there are a vector and a real number a, 0a1, such thatfor all p>1, where with γp=o(ap/p). 相似文献
44.
C. Genest J. J. Quesada Molina J. A. Rodríguez Lallena C. Sempi 《Journal of multivariate analysis》1999,69(2):193
The notion of quasi-copula was introduced by C. Alsina, R. B. Nelsen, and B. Schweizer (Statist. Probab. Lett.(1993), 85–89) and was used by these authors and others to characterize operations on distribution functions that can or cannot be derived from operations on random variables. In this paper, the concept of quasi-copula is characterized in simpler operational terms and the result is used to show that absolutely continuous quasi-copulas are not necessarily copulas, thereby answering in the negative an open question of the above mentioned authors. 相似文献
45.
MK Bhide RM Kadam MD Sastry Ajay Singh Shashwati Sen Manmeet Kaur DK Aswal SK Gupta VC Sahni 《Pramana》2002,58(5-6):799-802
Microwave absorption studies have been carried out on MgB2 superconductor using a standard X-band EPR spectrometer. The modulated low-field microwave absorption signals recorded for
polycrystalline (grain size ∼ 10 μm) samples suggested the absence of weak-link character. The field dependent direct microwave
absorption has been found to obey a ✓H dependence with two different slopes, which indicated a transition from strongly pinned lattice to flux flow regime. 相似文献
46.
Dr. J. R. Avilés Moreno M. M. Quesada Moreno Prof. J. J. López González Prof. R. M. Claramunt Prof. C. López Prof. I. Alkorta Prof. J. Elguero 《Chemphyschem》2013,14(14):3355-3360
1H‐indazoles are good candidates for studying the phenomena of molecular association and spontaneous resolution of chiral compounds. Thus, because the 1H‐indazoles can crystallize as dimers, trimers, or catemers, depending on their structure and the phase that they are in, the difficulty in the experimental analysis of the structure of the family of 1H‐indazoles becomes clear. This difficulty leads us to contemplate several questions: How can we determine the presence of different structures of a given molecular species if they change according to the phase? Could these different structures be present in the same phase simultaneously? How can they be determined? To shed light on these questions, we outline a very complete strategy by using various vibrational spectroscopic techniques that are sensitive (VCD) and insensitive (IR, FIR, and Raman) towards the chirality, together with quantum chemical calculations. 相似文献
47.
Nieto-Ortega B Casado J Blanch EW López Navarrete JT Quesada AR Ramírez FJ 《The journal of physical chemistry. A》2011,115(13):2752-2755
We present the determination of the conformational properties of aeroplysinin-1 in aqueous solution by means of a combined experimental and theoretical Raman optical activity (ROA) and vibrational circular dichroism (VCD) study. Aeroplysinin-1 is an antiangiogenic drug extracted from the sponge Aplysina cavernicola which has been proved to be a valuable candidate for the treatment of cancer and other antiangiogenic diseases. Our study shows that this molecule possesses the 1S,6R absolute configuration in aqueous solution, where only two conformers are present to a significant level. We discuss in detail the relationships between the chiro-optical ROA and VCD features, and the structural properties of various energy accessible conformers are described. The present work is one of the first studies in which both ROA and VCD have been used as complementary tools for the determination of absolute configuration and dominant solution-state conformations of an unknown therapeutically significant molecule. 相似文献
48.
The brain is believed to be particularly vulnerable to arsenic due to its high oxygen consumption rate and high level of polyunsaturated fatty acids and relatively high rate of oxygen free radical generate without commensurable level of arsenic. Hence, in the present work an attempt is made to study the changes in the biochemical contents in the brain tissues of edible fish Labeo rohita due to arsenic intoxication using Fourier Transform Infrared (FT-IR) spectroscopy. FT-IR spectra reveal significant differences in absorbance intensities between the control and arsenic intoxicated brain tissues, reflecting an alteration on the major biochemical constituents, such as lipids, proteins and nucleic acids of the brain tissues of L. rohita due to arsenic intoxication. Further, the administration of antidote DMSA improves the protein and lipid contents significantly in the brain tissues when compared to arsenic intoxicated tissues. The decrease in α-helix structure due to arsenic intoxication might be responsible for the increase in β-sheet secondary structures, which is consistent with the mechanism of β-sheet formation. 相似文献
49.
Antonio Quesada Antonio Marchal John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o102-o104
In the title compound, C14H23N6O2+·HSO4−·H2O, the pyrimidinium ring of the cation adopts a twist‐boat conformation, induced by steric clashes between adjacent ring substituents; the anions and the water molecules are linked by three O—H⃛O hydrogen bonds [H⃛O = 1.70–1.78 Å, O⃛O = 2.548 (2)–2.761 (2) Å and O—H⃛O = 161–168°] into chains of edge‐fused R(12) rings, which are linked into sheets by the cations, via three N—H⃛O hydrogen bonds [H⃛O = 1.96–2.17 Å, N⃛O = 2.820 (2)–2.935 (2) Å and N—H⃛O = 145–173°]. 相似文献
50.
Mata-Granados JM Caballo-López A Luque de Castro MD Quesada JM 《Analytical and bioanalytical chemistry》2003,377(2):287-292
An almost automated method for the determination of hydroxymetabolites of vitamin D3 (cholecalciferol) in human serum is reported. The method consists of three steps: 1) a batch liquid–liquid extraction step with 2-propanol and hexane, and drying of the extract and reconstitution with phosphate buffer. 2) A cleanup and preconcentration step based on solid-phase extraction using Prospekt equipment, with CN group cartridges and elution with the chromatographic mobile phase. 3) A chromatographic step for individual separation of the target analytes starting with a 90:10 methanol–water mixture, then a linear gradient to obtain 100% methanol; followed by photometric detection. The method provides a linear range between 1.0 and 100 ng mL–1 for 24,25-(OH)2 vitamin D3 and for 25-(OH)2 vitamin D3, and between 1.5 and 100 ng mL–1 for 1,25-(OH) vitamin D3, with correlation coefficients ranging between 0.993 and 0.987, repeatability between 1.9% and 4.8% and within-laboratory reproducibility between 2.8% and 8.8%. 相似文献