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1.
2.
Molecular model systems based on propyl phosphonic acid (ppa) were studied by means of density functional theory calculations in order to describe the acid-acid interaction and the formation of the hydration sphere. The formation of ppa dimers is reported and the energetic difference between two dimer structures is presented. The hydration sphere of ppa was represented by model systems ppa(H2O)n, for which the system with n=4 formed the first hydration sphere (h1), while n=7 can be considered a good approximation to the complete inner hydration sphere around the phosphonic acid group. The study of the ppa-H+ (H2O)n model systems showed an interesting structural behavior comparatively to the ppa(H2O)n systems. The protonated acids exhibited equivalent phosphorous-oxygen bonds and a general molecular structure is proposed to represent these protonated species. 相似文献
3.
Auciello O. Pacheco S. Sumant A.V. Gudeman C. Sampath S. Datta A. Carpick R.W. Adiga V.P. Zurcher P. Zhenqiang Ma Hao-Chih Yuan Carlisle J.A. Kabius B. Hiller J. Srinivasan S. 《Microwave Magazine, IEEE》2007,8(6):61-75
Next-generation military and civilian communication systems will require technologies capable of handling data/ audio, and video simultaneously while supporting multiple RF systems operating in several different frequency bands from the MHz to the GHz range [1]. RF microelectromechani-cal/nanoelectromechanical (MEMS/NEMS) devices, such as resonators and switches, are attractive to industry as they offer a means by which performance can be greatly improved for wireless applications while at the same time potentially reducing overall size and weight as well as manufacturing costs. 相似文献
4.
Lan Chen Yan Zhang Karin Pacheco Shaodong Dai 《International journal of molecular sciences》2021,22(5)
Nickel (Ni2+) is one of the most common allergens, affecting around 10–15% of the general population. As the demand for orthopedic implant surgery rises, the number of surgical revisions due to joint implant failure also increases. There is evidence that some patients develop joint failure due to an immune response to a component of the implant, and we have found that Ni2+ is an especially important cause. Hence, understanding the mechanisms by which Ni2+ allergy induces joint implant failure becomes a critical research question. The structural basis of Ni2+ activation of pathogenic T cells is still not clear. The purpose of this study was to characterize Ni2+-reactive T cell repertoires derived from the peripheral blood of joint failure patients due to Ni2+ sensitization using single-cell sequencing techniques. We stimulated the proliferation of Ni2+ -reactive T cells from two implant failure patients in vitro, and sorted them for single-cell VDJ sequencing (10× genomics). We identified 2650 productive V-J spanning pairs. Both TCR α chains and β chains were enriched. TRBV18 usage is the highest in the P7 CD4+ population (18.1%), and TRBV5-1 usage is the highest in the P7 CD8+ population (12.1%). TRBV19 and TRBV20-1 segments are present in a high percentage of both P7 and P9 sequenced T cells. Remarkably, the alpha and beta chain combination of TRAV41-TRBV18 accounts for 13.5% of the CD4+ population of P7 patient. Compared to current Ni specific T cell repertoire studies of contact dermatitis, the Vα and Vβ usages of these joint implant failure patients were different. This could be due to the different availability of self-peptides in these two different tissues. However, TRBV19 (Vβ17) was among frequently used TCR β chains, which are common in previous reports. This implies that some pathogenic T cells could be similar in Ni2+ hypersensitivities in skin and joints. The alignment of the TCR CDR3β sequences showed a conserved glutamic acid (Glu) that could potentially interact with Ni2+. The study of these Ni2+ specific TCRs may shed light on the molecular mechanism of T cell activation by low molecular weight chemical haptens. 相似文献
5.
Lorena Cuenca-Bermejo Elisa Pizzichini Valeria C. Gonalves María Guilln-Díaz Elena Aguilar-Moino Consuelo Snchez-Rodrigo Ana-María Gonzlez-Cuello Emiliano Fernndez-Villalba María Trinidad Herrero 《International journal of molecular sciences》2021,22(9)
The diurnal rodent Octodon degus (O. degus) is considered an attractive natural model for Alzheimer’s disease and other human age-related features. However, it has not been explored so far if the O. degus could be used as a model to study Parkinson’s disease. To test this idea, 10 adult male O. degus were divided into control group and MPTP-intoxicated animals. Motor condition and cognition were examined. Dopaminergic degeneration was studied in the ventral mesencephalon and in the striatum. Neuroinflammation was also evaluated in the ventral mesencephalon, in the striatum and in the dorsal hippocampus. MPTP animals showed significant alterations in motor activity and in visuospatial memory. Postmortem analysis revealed a significant decrease in the number of dopaminergic neurons in the ventral mesencephalon of MPTP animals, although no differences were found in their striatal terminals. We observed a significant increase in neuroinflammatory responses in the mesencephalon, in the striatum and in the hippocampus of MPTP-intoxicated animals. Additionally, changes in the subcellular expression of the calcium-binding protein S100β were found in the astrocytes in the nigrostriatal pathway. These findings prove for the first time that O. degus are sensitive to MPTP intoxication and, therefore, is a suitable model for experimental Parkinsonism in the context of aging. 相似文献
6.
Luis Fernando Crdoba Wolfgang M.H. Sachtler Consuelo Montes de Correa 《Applied catalysis. B, Environmental》2005,56(4):269-277
A series of sulfated zirconia supported Pd/Co catalysts was synthesized by the sol–gel method and examined for NOx reduction by methane. The NO conversion increased up to a Co/S ratio of 0.43, and then decreased at a higher Co loading (Co/S = 0.95). Sulfate content was also essential for obtaining high selectivity to molecular nitrogen. A catalyst loaded with 0.06 wt.% Pd, 2.1 wt.% Co and 2.1 wt.% S (Pd/Co-SZ-2) exhibited remarkable performance under lean conditions and displayed stability in a long-term durability test using a synthetic reaction mixture containing 10% water vapor. This catalyst exhibited the highest sulfur retention most probably as cobalt sulfide. Besides, the catalytic oxidation of NO to NOy groups was confirmed by FT-IR, in agreement with the general mechanism for the SCR of NO by hydrocarbons. In the absence of oxygen in the feed stream, the catalyst was highly active for NO reduction with methane. IR stretching bands assigned to N2O and adsorbed nitro groups were identified upon adsorbing NO on Pd/Co-SZ-2. This indicates that under rich conditions disproportionation of NO to N2O and NO2 occurs and confirms that the formation of NO2 species is an essential step for NO reduction by CH4. 相似文献
7.
Consuelo Montes de Correa H. Ai´da Luz Villa 《Applied catalysis. B, Environmental》1996,10(4):313-323
The effect of Pd-loading on Pd-NaZSM-5 and Pd-NaMordenite catalysts prepared by ion exchange was studied for methane combustion with excess oxygen (1% CH4, 18% O2, balance N2) in the temperature range 40–500°C. Fresh and calcined samples (3 h, 450°C) showed methane conversions proportional to Pd-loading on Pd-NaZSM-5 catalysts, while conversions decreased with Pd-loading on calcined Pd-NaMordenite catalysts. TOF (number of methane molecules converted per second per Pd2+ ion) for over exchanged Pd-NaZSM5-116 was low as compared to under exchanged Pd-NaZSM5-80 and Pd-NaZSM5-58 samples. Close TOF's were found for the last two samples at 330°C. TOF differences in Pd-NaMordenite catalysts demonstrate the heterogeneity of Pd+2 sites due to structurally nonidentical locations of cations. TOF's appear to be related to Na/Pd ratios in both catalyst types. Apparent activation energies for Pd-NaZSM-5 materials are higher than those for Pd-NaMordenite catalysts. 相似文献
8.
This paper deals with the optimisation of the single walled carbon nanotube (SWCNT) synthesis by the electric arc technique using so-called heterogeneous anodes filled with Ni and Y catalysts along with either graphite (large-grain or small-grain) or diamond powders. The various carbon nanophases produced were analyzed using high-resolution transmission electron microscopy. Plasma physical properties were determined by emission spectroscopy and were correlated to the variation in the carbon products formed. Using large-grain (100 μm) graphite powder corresponded to standard conditions since able to generate impurity-rich SWCNT material resembling that usually described in literature. However, replacing the large-grain graphite powder by small-grain graphite powder (∼1 μm) resulted in a dramatic increase in both the yield and purity of the SWCNTs obtained. On the other hand, a similar result was obtained by using diamond powder (grain size ∼1 μm) instead of the small-grain graphite powder. The results are explained via the erosion modes of the anodes with respect to the apparent density of the powder mixtures filling their cavities. Maintaining a steady plasma composition and a CI/NiI concentration ratio higher than 108 are identified as two conditions required for optimising SWCNT synthesis. 相似文献
9.
In this paper we study a problem of sequencing jobs in a machine with programmed preventive maintenance and sequence-dependent set-up times. The problem combines two NP-hard problems, so we propose a heuristic method for solving it, which hybridizes multi-start strategies with Tabu Search. We compare our method with the only published metaheuristic algorithm for this problem on a set of 420 instances. The comparison favors the method developed in this work, showing that is able to find high quality solutions in very short computational times. 相似文献
10.
The characterization of the emission from nylon fibers containing laser dyes and TIO(2) nanoparticle scatterers indicates laser behavior with linewidths as low as 4 nm in 200- to 800-μm fibers. These materials can be used to produce lasing textiles, which can be used to produce photonic codes for a variety of civilian and military applications. 相似文献