Search results for "Fragmentation"
showing 10 items of 798 documents
CASSCF/CASPT2 analysis of the fragmentation of H2 on a Pd4 cluster
2009
Two reactive pathways are described for the dissociative adsorption of a hydrogen molecule on a Pd4 pyramidal cluster, by using DFT/B3LYP and CASSCF/CASPT2 computational methods. Because of the different spin multiplicities of the cluster in the initial and final states, the reaction proceeds through a spin multiplicity change, which occurs close to the transition states. The activation energy values are very similar when the DFT method is used, whereas the CASPT2 calculations predict that the concerted mechanism is disfavored. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Mass spectra of chlorinated aromatics formed in pulp bleaching: I—chlorinated catechols
1983
The fragmentation of chlorinated guaiacols (2-methoxyphenols) on electron impact has been studied. The most common fragmentation processes are interpreted and in some cases the small differences between spectra of positional isomers are explained. In addition to the well-known alkyl-oxygen fission (loss of methyl radical), metastable ion studies and deuterium labelling have indicated several new fragmentation pathways. The most characteristic are the formation of [MCH3HCl]+ and [MCH3Cl]+· ions. In general, however, the spectra of positional isomers are shown to be very similar.
Recent Approaches for Chemical Speciation and Analysis by Electrospray Ionization (ESI) Mass Spectrometry
2021
In these latest years, the chemical speciation of several species has been increasingly monitored and investigated by means of electrospray ionization mass spectrometry (ES-MS). This soft ionization technique is capable to gently take into the gas phase metal-ligand complexes and gather a wealth of information on their energetics, shape, and fragmentation pathways. For this reason, this technique is frequently chosen in a synergistic approach to investigate competitive ligand exchange-adsorptive other ways analyzed by cathodic stripping voltammetry (CLE-ACSV). ESI-MS analyses require a careful experimental design as they may be impacted by instrumental artifacts such as ESI adduct formation…
Electron impact mass spectra of chlorinated methyl propanoates
1982
The mass spectral fragmentations of all eleven chlorinated methyl propanoates have been studied. Deuterium labelling and metastable ion analysis were used to elucidate the fragmentation mechanism. The molecular ion peaks of all compounds are small, except methyl 3,3-dichloropanoate (38%). In most cases α-cleavage gives the base peak [COOCH3]+, and the loss of a chlorine atom from the molecular ion is characteristic of the 3-chloro, 3,3-dichloro and 3,3,3-trichloro compounds. Metastable ions showed the losses of small neutral molecules such as CH3OH, CH2CO, CO2 and CO from the [MCl]+ ion. α-Cleavage and the loss of Cl˙ gives an intense [MCOOCH3Cl]+˙ peak, which is the base peak in the spectr…
Studies in organic mass spectrometry. Part 9—mass spectra of 9,10-disubstituted 2,3,6,7-tetraalkoxy-9,10-dihydroanthracenes: A remarkable loss of rad…
1991
The electron impact-induced fragmentations of 23 9,10-disubstituted 2,3,6,7-tetraalkoxy-9,10-dihydroanthracenes, including six stereoisomeric pairs, were studied. The loss of the 9-(or 10-)substituent constitutes the main fragmentation route. The resulting ions give rise to a remarkable violation of the so-called even-electron rule as they eject the second substituent at the 10-(or 9-)position as a radical. The latter aspect was particularly investigated with the aid of low-energy (nominal value 15 eV) and mass-analysed ion kinetic energy spectra
The HMG-CoA reductase inhibitor lovastatin protects cells from the antineoplastic drugs doxorubicin and etoposide
2002
Ras-homologous GTPases are involved in the regulation of genotoxic stress-induced gene expression and cell death. Since they need C-terminal isoprenylation for correct intracellular localization and function, we investigated whether depletion of cells from isopren precursor moieties using the HMG-CoA reductase inhibitor lovastatin affects cellular sensitivity to DNA damaging drugs. Here we show that lovastatin renders cells highly resistant to the tumor-therapeutic compound doxorubicin. Desensitization by lovastatin was reverted by co-treatment with GGPP indicating that inhibition of protein geranylgeranylation is involved in acquired doxorubicin resistance. Lovastatin does not influence ce…
La agrupación temporal y los patrones como facilitadores de la comprensión psicológica de la información rítmica
2020
Grouping influences the mental fragmentation of sounds in memory, which is why it is considered a fundamental element in modern theories of musical cognition. This work reviews research on the phenomena of temporal structuring, grouping of events and formation of rhythmic patterns. Therefore, an updated panorama is offered regarding certain facilitating factors of temporal processing that may be relevant in musical training contexts, for example, that regularity and the 2:1 relationship are important elements for the perception and production of rhythmic patterns. La agrupación influye en la fragmentación de sonidos en la memoria, por lo que es considerada un elemento fundamental en las teo…
The fragmentation of 5- and 3-substituted thiophene-2-carboxamides under electron impact
1980
The 70 eV electron impact mass spectra of twelve 5- and 3-substituted thiophene-2-carboxamides are discussed with the aid of exact mass measurements and labelling experiments. All mass spectra exhibit pronounced molecular ions. Some isomeric 5- and 3-substituted title compounds can be differentiated by mass spectrometry. The fragmentation is influenced by a strong ‘ortho-effect’ which activates the NH3 elimination. In the other cases the most important fragmentation is NH2˙ loss, followed by CO elimination.
Multicollision-induced dissociation of multiply charged gold clusters, Aun2+, n = 7–35, and Aun3+, n = 19–35
2000
Abstract Multicollision-induced dissociation (MCID) has been applied to gold clusters, Au n 2+ (n = 7–35) and Au n 3+ (n = 19–35) stored in a Penning trap. By application of ion cyclotron resonance excitation and pulses of argon collision gas, fragmentation yields have been measured as a function of the clusters’ kinetic energy. The corresponding dissociation energies have been determined by use of the impulsive collision theory and the quantum Rice–Ramsperger–Kassel (RRK) model for the energy transfer to internal cluster modes and for delayed dissociation, respectively. As compared to earlier measurements of singly charged gold clusters the variation of the stability as a function of clust…
Recommendation of RILEM TC237-SIB on cohesion test of recycled asphalt
2018
This recommendation describes how to evaluate the presence of potentially active bitumen in recycled asphalt (RA) materials through the cohesion test. The experimental protocol is designed according to the research performed by the RILEM Technical Committee 237-SIB ‘‘Testing and characterization of sustainable innovative bituminous materials and systems’’ with the purpose, to develop a new, simple and fast method for the characterization of RA while limiting the need for conventional rheological tests. The guidelines in this recommendation focus on the testing procedure including specimen preparation, data analysis and provide information on the preparation of a tests report.