Search results for "ionization"
showing 10 items of 1255 documents
The metal binding abilities of Megathura crenulata metallothionein (McMT) in the frame of gastropoda MTs.
2011
Metallothioneins (MTs) are proteins that play a major role in metal homeostasis and/or detoxification in all kind of organisms. The MT gene/protein system of gastropod molluscs provides an invaluable model to study the diversification mechanisms that have enabled MTs to achieve metal-binding specificity through evolution. Most pulmonate gastropods, particularly terrestrial snails, harbor three paralogous isogenes encoding three MT isoforms with different metal binding preferences: the highly specific CdMT and CuMT isoforms, for cadmium and copper respectively, and the unspecific Cd/CuMT isoform. Megathura crenulata is a non-pulmonate gastropod in which only one MT isogene has so far been re…
Excited states of the water molecule: Analysis of the valence and Rydberg character
2008
The excited states of the water molecule have been analyzed by using the extended quantum-chemical multistate CASPT2 method, namely, MS-CASPT2, in conjunction with large one-electron basis sets of atomic natural orbital type. The study includes 13 singlet and triplet excited states, both valence and 3s-, 3p-, and 3d-members of the Rydberg series converging to the lowest ionization potential and the 3s- and 3p-Rydberg members converging to the second low-lying state of the cation, 1 math. The research has been focused on the analysis of the valence or Rydberg character of the low-lying states. The computation of the 1 math state of water at different geometries indicates that it has a predom…
Study of a new direct current atmospheric pressure glow discharge in helium
2011
Abstract In this study a new DC-APGD operated in He was developed and characterized. The discharge is operated at 0.9 kV and about 25–35 mA and at a gas flow of 100 ml/min. The source was spectroscopically studied and parameters such as the rotational temperature (Trot), the excitation temperature (Texc), the ionization temperature (Tion) and the electron number density (ne) were determined. The current–voltage characteristic of the source was studied as well. At optimized conditions the discharge operates in the normal region of the current–voltage characteristic. Rotational and excitation temperatures determined with the use of OH band and Fe I lines as thermometric species were of the or…
Two new triterpenoid saponins fromPittosporum senaciaPutterlick (Pittosporaceae)
2012
From the branches of Pittosporum senacia Putterlick (Pittosporaceae), two new triterpenoid saponins, senaciapittosides A and B (1, 2), were isolated. Their structures were elucidated by extensive analysis of one- and two-dimensional nuclear magnetic resonance spectroscopy, high-resolution electrospray ionization mass spectrometry (HR-ESIMS) and chemical evidence as 3-O-[β-d-glucopyranosyl-(1 2)]-[α-l-arabinopyranosyl-(1 3)]-[α-l-arabinofuranosyl-(1 4)]-β-d-glucuronopyranosyl oleanolic acid 28-O-β-d-glucopyranosyl ester (1) and 3-O-[β-d-glucopyranosyl-(1 2)]-[α-l-arabinopyranosyl-(1 3)]-[α-l-arabinofuranosyl-(1 4)]-β-d-glucuronopyranosyl-22-O-α-l-arabinopyranosyl-21-acetoxy R1-barrigen…
Electron impact ionization/dissociation of size selected gold cluster cations
2000
Abstract Singly charged gold clusters, Au n + in the size range n =12 to 72 have been captured and stored in a Penning trap, size selected and subjected to an electron beam. This interaction leads to further ionization as well as dissociation. The resulting abundance spectra of doubly and triply charged clusters show (a) a lower size limit for the production of multiply charged clusters from an ensemble of hot precursors, which can be understood in terms of the respective decay pathways, (b) an odd/even alternation of singly and doubly charged clusters in the size range below n =30, which inverses sign with change of charge state, and (c) magic numbers, i.e. prominent signals for particular…
Supramolecular functionalization and concomitant enhancement in properties of Au25 clusters
2014
We present a versatile approach for tuning the surface functionality of an atomically precise 25 atom gold cluster using specific host-guest interactions between ?-cyclodextrin (CD) and the ligand anchored on the cluster. The supramolecular interaction between the Au25 cluster protected by 4-(t-butyl)benzyl mercaptan, labeled Au25SBB18, and CD yielding Au25SBB18�?�CDn (n = 1, 2, 3, and 4) has been probed experimentally using various spectroscopic techniques and was further analyzed by density functional theory calculations and molecular modeling. The viability of our method in modifying the properties of differently functionalized Au25 clusters is demonstrated. Besides modifying their optoe…
Gaia-ESO Survey: Gas dynamics in the Carina nebula through optical emission lines
2016
Aims. We present observations from the Gaia-ESO Survey in the lines of Hα, [N II], [S II], and He I of nebular emission in the central part of the Carina nebula. Methods. We investigate the properties of the two already known kinematic components (approaching and receding), which account for the bulk of emission. Moreover, we investigate the features of the much less known low-intensity high-velocity (absolute RV >50 km s) gas emission. Results. We show that gas giving rise to Hα and He I emission is dynamically well correlated with but not identical to gas seen through forbidden-line emission. Gas temperatures are derived from line-width ratios, and densities from [S II] doublet ratios. Th…
Electronic structure of tetraphenyldithiapyranylidene : A valence effective Hamiltonian theoretical investigation
1992
We present a theoretical investigation of the electronic structure of tetraphenyldithiapyranylidene (DIPSΦ4) using the nonempirical valence effective Hamiltonian (VEH) method. Molecular geometries are optimized at the semiempirical PM3 level which predicts an alternating nonaromatic structure for the dithiapyranylidene (DIPS) framework. The VEH one‐electron energy level distribution calculated for DIPSΦ4 is presented as a theoretical XPS simulation and is analyzed by comparison to the electronic structure of its molecular components DIPS and benzene. The theoretical VEH spectrum is found to be fully consistent with the experimental solid‐state x‐ray photoelectron spectroscopy (XPS) spectrum…
Effect of Oral Physiology Parameters on In-Mouth Aroma Compound Release Using Lipoprotein Matrices: An In Vitro Approach
2019
Temporal aroma compound release during eating is a function of the physicochemical properties of the food matrix, aroma compounds, and oral physiology of individuals. However, the influence of each parameter on the release of each aroma component should be clarified. Two flavored lipoprotein matrices varying in composition were chewed in a chewing simulator that reproduced most of the physiological functions of the mouth. Aroma compound releases (butanoic acid, 2-heptanone, ethyl butyrate, 3-octanone, and 2-nonanone) were followed in real time by direct connection of the device to APCI-MS (atmospheric pressure chemical ionization mass spectrometry). Each oral parameter was controlled and de…
A broadband spectral analysis of 4U 1702-429 using XMM-Newton and BeppoSAX data
2018
Most of the X-ray binary systems containing neutron stars classified as Atoll sources show two different spectral states, called soft and hard. Moreover, a large number of these systems show a reflection component relativistically smeared in their spectra, which gives information on the innermost region of the system. Our aim is to investigate the poorly studied broadband spectrum of the low mass X-ray binary system 4U 1702-429, which was recently analysed combining XMM-Newton and INTEGRAL data. The peculiar value of the reflection fraction brought us to analyse further broadband spectra of 4U 1702-429. We re-analysed the spectrum of the XMM-Newton/INTEGRAL observation of 4U 1702-429 in the…