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101.
Luis D. Vargas Gustavo A. Chapela Orlando Guzmán Pedro Díaz Leyva Rodrigo Sánchez 《Molecular physics》2020,118(9-10)
We analyse by discrete molecular dynamics the self-assembly of SW trimer particles that contain a different number of attractive and repulsive spheres. They also have different geometries: linear, obtuse, rectangular and equilateral. We identify that some of these molecules exhibit liquid–vapour equilibria while others do not. For all of them, we show the morphological phase diagram built up from the different supra-molecular structures formed by each type of trimer. We simulated 14 different systems with a total of 321 states. The main features of the supra-molecular structures depend only on the composition and geometry of the trimer: triple SW trimers do not form supra-structures, double SW trimers and single SW trimers form monolayers, bilayers and worm-like micelles. The liquid–vapour coexistence properties are also exhibited. These trimers can be used to model complex amphiphiles beyond the standard ones, such as the Gemini and the Bola surfactants as well as colloidal particles. 相似文献
102.
The rich history of prime numbers includes great names such as Euclid, who first analytically studied the prime numbers and proved that there is an infinite number of them, Euler, who introduced the function , Gauss, who estimated the rate at which prime numbers increase, and Riemann, who extended to the complex plane z and conjectured that all nontrivial zeros are in the axis. The nonadditive entropy , where BG stands for Boltzmann-Gibbs) on which nonextensive statistical mechanics is based, involves the function . It is already known that this function paves the way for the emergence of a q-generalized algebra, using q-numbers defined as , which recover the number x for . The q-prime numbers are then defined as the q-natural numbers , where n is a prime number We show that, for any value of q, infinitely many q-prime numbers exist; for they diverge for increasing prime number, whereas they converge for ; the standard prime numbers are recovered for . For , we generalize the function as follows: (). We show that this function appears to diverge at , . Also, we alternatively define, for , and , which, for , generically satisfy , in variance with the case, where of course . 相似文献
103.
104.
Mario S. Valds-Tresanco Andrea Molina-Zapata Alaín Gonzlez Pose Ernesto Moreno 《Molecules (Basel, Switzerland)》2022,27(7)
Single domain antibodies from camelids, or nanobodies, are a unique class of antibody fragments with several advantageous characteristics: small monomeric size, high stability and solubility and easy tailoring for multiple applications. Nanobodies are gaining increasing acceptance as diagnostic tools and promising therapeutic agents in cancer and other diseases. While most nanobodies are obtained from immunized animals of the camelid family, a few synthetic nanobody libraries constructed in recent years have shown the capability of generating high quality nanobodies in terms of affinity and stability. Since this synthetic approach has important advantages over the use of animals, the recent advances are indeed encouraging. Here we review over a dozen synthetic nanobody libraries reported so far and discuss the different approaches followed in their construction and validation, with an emphasis on framework and hypervariable loop design as critical issues defining their potential as high-class nanobody sources. 相似文献
105.
Borja Vargas David Cuesta-Frau Paula Gonzlez-Lpez María-Jos Fernndez-Cotarelo
scar Vzquez-Gmez Ana Cols Manuel Varela 《Entropy (Basel, Switzerland)》2022,24(4)
Body temperature is usually employed in clinical practice by strict binary thresholding, aiming to classify patients as having fever or not. In the last years, other approaches based on the continuous analysis of body temperature time series have emerged. These are not only based on absolute thresholds but also on patterns and temporal dynamics of these time series, thus providing promising tools for early diagnosis. The present study applies three time series entropy calculation methods (Slope Entropy, Approximate Entropy, and Sample Entropy) to body temperature records of patients with bacterial infections and other causes of fever in search of possible differences that could be exploited for automatic classification. In the comparative analysis, Slope Entropy proved to be a stable and robust method that could bring higher sensitivity to the realm of entropy tools applied in this context of clinical thermometry. This method was able to find statistically significant differences between the two classes analyzed in all experiments, with sensitivity and specificity above 70% in most cases. 相似文献
106.
Guillermina L. Estiú Alicia H. Jubert Jos Molina Juan Costamagna Juan Canales Juan Vargas 《Journal of Molecular Structure》1995,330(1-3):201-210
Semiempirical self-consistent field (SCF) and configuration interaction (CI) calculations of the intermediate neglect of differential overlap (INDO) type are applied to the analysis of the electronic transitions of the hexaazacyclophane base and its Ni and Cu complexes. The ground states (1Ag for the ligand and Ni complex, 2B1g for the Cu complex) are planar structures of D2h symmetry. The low-energy region of the UV-visible spectra, whose analysis may help to recognize the catalytic active sites of the complexes is associated with d → d transitions in the Ni complex, and M → L charge transfer in the Cu complex. 相似文献
107.
Nikolay Djourelov Corine Bas Daniel Sillou Rosario Benavente Ernesto Pérez María L. Cerrada 《Journal of Polymer Science.Polymer Physics》2010,48(18):1994-2002
Copolymers of propylene and 1‐octadecene synthesized by a metallocene catalyst were characterized by PALS, WAXD, DSC, and density measurements. The change in the sizes and the number density of free‐volume holes as a function of the 1‐octadecene content were compared to the master laws published for copolymers of propylene with α‐olefins of shorter lengths. It was found that the samples were separated into two groups. The first set of samples obeyed the master laws while the second group deviated. This behavior was explained by the difference in the copolymer structure. The WAXD analysis confirmed the separation as well. The deviation was explained as due to the mesomorphic crystalline structure of the second group of samples, in contrast to the monoclinic one for the first group, which was a result of the relatively fast cooling from the molten state and from the high comonomer molar content. © 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 48: 1994–2002, 2010 相似文献
108.
109.
Ernesto C. Tuazon Pilar Martin Sara M. Aschmann Janet Arey Roger Atkinson 《国际化学动力学杂志》2011,43(11):631-638
Rate constants for the reactions of 2‐methoxy‐6‐(trifluoromethyl)pyridine, diethylamine, and 1,1,3,3,3‐pentamethyldisiloxan‐1‐ol with OH radicals have been measured at 298 ± 2 K using a relative rate method. The measured rate constants (cm3 molecule?1 s?1) are (1.54 ± 0.21) × 10?12 for 2‐methoxy‐6‐(trifluoromethyl)pyridine, (1.19 ± 0.25) × 10?10 for diethylamine, and (1.76 ± 0.38) × 10?12 for 1,1,3,3,3‐pentamethyldisiloxan‐1‐ol, where the indicated errors are the estimated overall uncertainties including those in the rate constants for the reference compounds. No reaction of 2‐methoxy‐6‐(trifluoromethyl)pyridine with gaseous nitric acid was observed, and an upper limit to the rate constant for the reaction of 1,1,3,3,3‐pentamethyldisiloxan‐1‐ol with O3 of <7 × 10? 20 cm3 molecule?1 s?1 was determined. Using a 12‐h average daytime OH radical concentration of 2 × 106 molecule cm?3, the lifetimes of the volatile organic compounds studied here with respect to reaction with OH radicals are 7.5 days for 2‐methoxy‐6‐(trifluoromethyl)pyridine, 1.2 h for diethylamine, and 6.6 days for 1,1,3,3,3‐pentamethyldisiloxan‐1‐ol. Likely reaction mechanisms are discussed. © 2011 Wiley Periodicals, Inc. Int J Chem Kinet 43: 631–638, 2011 相似文献
110.
J. L. Jiménez Pérez E. Rangel Vargas R. Gutiérrez Fuentes A. Cruz-Orea H. Bautista de León 《The European physical journal. Special topics》2008,153(1):511-513
In this paper we used thermal lens spectrometry to
determine the thermal diffusivity of cheese fats. We have used equal
concentrations of cheese fats from oaxaca, chihuahua, gouda, manchego and
mozzarella cheeses at 42°C temperature. The two lasers
mismatched mode experimental configuration was used with a He-Ne laser, as a
probe beam and an Ar+ laser as the excitation one. The characteristic
time constant of the transient thermal lens was obtained by fitting the
theoretical expression to the experimental data in order to obtain the
thermal diffusivity of the cheese fat samples. This measured thermal
property may contribute to a better understanding of the cheese fats
quality, which is very important in food industry. 相似文献