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Giotto, M.V.; Bonagamba, T.J.; Panepucci, H.; Mattoso, L.H.C.; Faria, R.M.
Proceedings of the 17. national meeting on condensed matter physics: abstracts1994
Proceedings of the 17. national meeting on condensed matter physics: abstracts1994
AbstractAbstract
[en] Short communication
Original Title
Espectroscopia de alta resolucao em solidos por ressonancia magnetica nuclear aplicada a polianilina
Source
Sociedade Brasileira de Fisica, Sao Paulo, SP (Brazil); 427 p; 1994; p. 295-296; 17. Brazilian meeting on condensed matter physics; 17. Encontro nacional de fisica da materia condensada; Caxambu, MG (Brazil); 7-11 Jun 1994; Available from the Library of Brazilian CNEN, Rio de Janeiro
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[en] Recently enhanced one-color two-photon (1+1) ionization spectra of jet-cooled methylamines (CH_3NH_2 and CH_3ND_2) reveal the vibrational structures of these molecules in predissociative ∼A states. Rotational fine structure is clearly resolved for CH_3ND_2 at the origin and first wagging vibrational level in the excited state. The spectra line-width becomes homogeneously broadened to give only vibrationally resolved spectra features for the higher vibrational energy levels of CH_3ND_2 (∼A). From the spectral analysis of the ∼A-X transition of CH_3ND_2, it is found that the methylmoiety rotates freely about the C-N axis with respect to the amino group in the ∼A states, indicating that the removal of an electron from the nonbonding orbital of N is responsible for the free internal rotation. Vibrational levels are only barely resolved in the ∼A-X excitation spectrum of CH_3NH_2 due to severe homogeneous line-broad ing, indicating ultra-short lifetimes of ∼0.4 ps predissociating CH_3NH_2 molecules in the ∼A states. Spectral interpretation of the ∼A-X excitation spectrum of CH_3NH_2 is carried out by the comparison with that of CH_3HD_2, giving the confirmative vibrational assignment of methylamines in the ∼A states for the first time. The dramatic difference of (CH_3NH_2 and CH_3ND_2) in their lifetimes in ∼A states suggests that the major dissociation channel of the excited methylamine may be the N-H (or D) bond dissociation.
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Korea Atomic Energy Research Institute, Taejeon (Korea, Republic of); 199 p; 2002; p. 27; 10. International Symposium on Laser Spectroscopy; Taejeon (Korea, Republic of); 1-2 Nov 2002; Available from Korea Atomic Energy Research Institute, Taejeon (KR)
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No abstract available
Original Title
Mekhanizm ehkstraktsii molibdena i vol'frama solyami chetvertichnykh ammonievykh osnovanij
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Source
For English translation see the journal Sib. Chem. J.
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Journal Article
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Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya Khimicheskikh Nauk; (no.4); p. 65-71
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[en] The charge-transfer interaction between an aromatic amine (p-toluidine) and a halogen (iodine) is investigated in different solvents. The effects of the solvent dielectric constant, of the ionic strength and of the light absorbed on the transformation of the intermediate 'outer' complex into a polar 'inner' structure are studied. An overall reaction mechanism is suggested. (Author)
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Journal Article
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Monatshefte fuer Chemie; ISSN 0026-9247;
; v. 114(6/7); p. 675-685

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No abstract available
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5 tabs,; 8 refs.
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Journal Article
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Nucl.-Med; v. 10(3); p. 245-251
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No abstract available
Original Title
Preparation et etude d'elements actinides
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p. 295-322; Nov 1971
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Sprenger, Janina; Svensson, Bo; Hålander, Jenny; Carey, Jannette; Persson, Lo; Al-Karadaghi, Salam, E-mail: salam.al-karadaghi@biochemistry.lu.se2015
AbstractAbstract
[en] In this work, X-ray crystallography was used to examine ligand complexes of spermidine synthase from the malaria parasite Plasmodium falciparum (PfSpdS). The enzymes of the polyamine-biosynthesis pathway have been proposed to be promising drug targets in the treatment of malaria. Spermidine synthase (SpdS; putrescine aminopropyltransferase) catalyzes the transfer of the aminopropyl moiety from decarboxylated S-adenosylmethionine to putrescine, leading to the formation of spermidine and 5′-methylthioadenosine (MTA). In this work, X-ray crystallography was used to examine ligand complexes of SpdS from the malaria parasite Plasmodium falciparum (PfSpdS). Five crystal structures were determined of PfSpdS in complex with MTA and the substrate putrescine, with MTA and spermidine, which was obtained as a result of the enzymatic reaction taking place within the crystals, with dcAdoMet and the inhibitor 4-methylaniline, with MTA and 4-aminomethylaniline, and with a compound predicted in earlier in silico screening to bind to the active site of the enzyme, benzimidazol-(2-yl)pentan-1-amine (BIPA). In contrast to the other inhibitors tested, the complex with BIPA was obtained without any ligand bound to the dcAdoMet-binding site of the enzyme. The complexes with the aniline compounds and BIPA revealed a new mode of ligand binding to PfSpdS. The observed binding mode of the ligands, and the interplay between the two substrate-binding sites and the flexible gatekeeper loop, can be used in the design of new approaches in the search for new inhibitors of SpdS
Source
S1399004714027011; Available from http://dx.doi.org/10.1107/S1399004714027011; Available from http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4356361; PMCID: PMC4356361; PMID: 25760598; PUBLISHER-ID: kw5110; OAI: oai:pubmedcentral.nih.gov:4356361; Copyright (c) Sprenger et al. 2015; This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.; Country of input: International Atomic Energy Agency (IAEA)
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Journal Article
Journal
Acta Crystallographica. Section D: Biological Crystallography; ISSN 0907-4449;
; CODEN ABCRE6; v. 71(Pt 3); p. 484-493

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AbstractAbstract
[en] Published in summary form only
Original Title
Estrutura eletronica de polianilina
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Source
Sociedade Brasileira de Fisica, Rio de Janeiro; 299 p; 1988; p. 20; 11. National Meeting on Condensed Matter Physics; Caxambu, MG (Brazil); 9-13 May 1988; Available from the Library of Comissao Nacional de Energia Nuclear, RJ, Brazil
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[en] A conformational analysis of the benzylidene-aniline, stilbene and azobenzene isoelectronic molecules has been carried out using the INDO and MNDO methods. The potential energy curves obtained with different geometric parameters are compared: the experimental values determined in the gas phase are only partly accounted for with the two methods. In order to understand these failures, the different terms contributing to the energy calculation are discussed (π-π and n-π conjugations, steric interactions) for the three molecules. It appears that each method is more sensitive to one term: the n-π conjugation is favoured in the INDO method, while the steric interaction is favoured in MNDO. (orig.)
Original Title
Analyse conformationnelle theorique des molecules de benzylidene-aniline, stilbene et azobenzene. Pt. 1
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Theochem v. 1(3).
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Journal Article
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Journal of Molecular Structure; ISSN 0022-2860;
; v. 76(3); p. 299-311

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[en] The multiphoton ionization and photoacoustic signals from aniline have been detected as a function of time delay between two laser pulses of different wavelength. The first pulse excited the S0 → S1 0--0 transition. The second pulse either excited S1 to a higher singlet state, or a triplet state produced by intersystem crossing to a higher triplet state, depending on the time delay between pulses. Both ionization and dissociation processes are observed. By varying the conditions of excitation it appears that a given amount of energy can be selectively channeled almost exclusively into either ionization or dissociation pathways. The results are explained using a simple Franck--Condon factor model
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Journal Article
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Journal of Chemical Physics; ISSN 0021-9606;
; v. 80(10); p. 4808-4816

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