2,470 research outputs found
Il "Roman de Philomena" in lingua d'oc: introduzione, revisione del testo critico e traduzione italiana
Full text linkIl presente lavoro ha in oggetto la realizzazione di una nuova edizione critica del Roman de Philomena, prosa occitana del XIV secolo.
Il primo paragrafo dell’Introduzione intende definire la tipologia narrativa dell’opera: essa si configura prima di tutto come una fundatio, ovvero una storia di fondazione di una comunità monastica, ma non mancano forti influenze dell’epica, dell’agiografia, della cronaca storica e persino del romanzo cortese.. Dopo aver illustrato sintenticamente il contenuto dell’opera, si passa all’esposizone dei problemi legati alla lingua e all’autorialità del testo. Il Roman de Philomena è infatti la traduzione delle Gesta Karoli Magni ad Carcassonam et Narbonam. Tuttavia a lungo si è ipotizzato il contrario. A questa discussione è legata anche quella che riguarda l’autore dell’opera, poiché nel solo testo latino sono presenti un paragrafo introduttivo e uno conclusivo in cui il presunto autore, Guglielmus Paduanus, parla in prima persona. A ciò si legano anche importanti considerazioni sulla datazione. In particolare, viene citato nei suddetti paragrafi l’abate Bernardo, colui che avrebbe commissionato l’opera al monaco padovano. Risalire all’identità del committente, dunque, risulta fondamentale per poter risalire al periodo di composizione dell’opera. L’ultimo paragrafo è dedicato alle fonti, documentarie e non, che è possibile scorgere all’interno dell’opera.
La seconda parte del lavoro è riservato agli aspetti codicologici e filologici dell’edizione. In un primo paragrafo si analizzano i manoscritti latori del testo, due in occitano e otto in latino, e per ogni codice si offre la descrizione esterna ed interna, la collocazione dell’opera all’interno del manoscritto nel caso di codici miscellanei, la bibliografia degli studi relativi al codice e una breve descrizione degli eventuali descripti. Successivamente, si indagano i rapporti esistenti tra i manoscritti, rilevanti non tanto e non solo per le ipotesi di derivazione dal latino all’occitano, ma anche perché per la prima volta si tiene conto di tutta la tradizione dell’opera.
Il terzo capitolo comprende l’edizone critica del testo. Sulla scorta di Schneegans 1898, il testo critico occitano è presentato in versione sinottica col testo latino edito da Heitzmann 1999. La traduzione in italiano, presentata qui per la prima volta, sarà dedicata non solo al testo occitano ma comprenderà, anche questo in maniera inedita, la traduzione dei due paragrafi assenti nella versione provenzale,
La tavola dei nomi propri e dei luoghi citati viene incontro alla necessità di segnalare e orga- nizzare i più rilevanti tra ii numerosi lemmi ascrivibili rispettivamente all’uno o all’altro gruppo. Il glossario è imbastito sulla base delle occorrenze più importanti riscontrate all’interno del testo, con particolare attenzione ai termini afferenti al lessico tecnico e agli hapax. La bibliografia tiene conto di tutti gli strumenti bibliografici ciatati nel corso dello studio.The present work is concerned with the production of a new critical edition of the Roman de Philomena, a 14th-century Occitan prose.
The first paragraph of the Introduction intends to define the narrative typology of the work: it is configured first and foremost as a fundatio, i.e. a story of the foundation of a monastic community, but strong influences from epic, hagiography, historical chronicle and even the courtly novel are not lacking. After briefly illustrating the content of the work, we move on to the exposition of the problems related to the language and authorship of the text. The "Roman de Philomena" is in fact a translation of the "Gesta Karoli Magni ad Carcassonam et Narbonam". However, the opposite has long been assumed. Also linked to this discussion is that concerning the author of the work, since the Latin text alone contains an introductory and concluding paragraph in which the alleged author, Guglielmus Paduanus, speaks in the first person. This is also linked to important datation considerations. In particular, Abbot Bernard, who is said to have commissioned the work, is mentioned in the first paragraph. Tracing the identity of the commissioner, therefore, is fundamental in order to trace the period of composition of the work. The last paragraph is dedicated to the sources, documentary and otherwise, that can be discerned within the work.
The second part of the work is reserved for the codicological and philological aspects of the edition. The first section analyses the manuscripts that bear the text, two in Occitan and eight in Latin, and for each codex offers an external and internal description, the location of the work within the manuscript in the case of miscellaneous codices, the bibliography of studies related to the codex and a brief description of any "descriptus". Subsequently, the relationships existing between the manuscripts are investigated, relevant not only for the hypothesis of derivation from Latin to Occitan, but also because for the first time the entire tradition of the work is taken into account.
The third chapter includes the critical edition of the text. Following Schneegans 1898, the critical Occitan text is presented in a synoptic version with the Latin text edited by Heitzmann 1999. The Italian translation, presented here for the first time, will not only be devoted to the Occitan text but will also include, also in an unprecedented manner, the translation of the two paragraphs absent in the Provençal version.
The table of proper names and places mentioned meets the need to indicate and organise the most relevant of the numerous headwords that can be ascribed to one or the other group respectively. The glossary is compiled on the basis of the most important occurrences found within the text, with particular attention to terms pertaining to the technical lexicon and "hapax". The bibliography takes into account all the bibliographical tools cited in the course of the study
Integrated QM/polarizable MM/continuum approaches to model chiroptical properties of strongly interacting solute-solvent systems
Full text linkSolvent effects on chiroptical properties and spectroscopies can be huge, and affect not only the absolute value but the sign of molecular chiroptical responses. Therefore, the definition of reliable theoretical models and computational protocols to calculate chiroptical responses and assist the assignment of the chiral absolute configuration cannot overlook the effects of the surrounding environment. Continuum solvation methodologies are successful in case of weakly interacting solute–solvent couples, whereas in case of strongly interacting systems, such as those dominated by explicit hydrogen bonding interaction, a change of strategy is required to gain a reliable modeling. In this review, a recently developed integrated Quantum‐Mechanical/Polarizable molecular mechanics (MM)/polarizable continuum model (PCM) method is discussed, which combines a fluctuating charge approach to the MM polarization with the PCM. Its theoretical fundamentals, and issues related to the calculation of chiroptical responses are summarized, and the application to few representative test cases in aqueous solution is discussed
The role of hydrogen bonding in the Raman spectral signals of caffeine in aqueous solution
Full text linkThe identification and quantification of caffeine is a common need in the food and pharmaceutical industries and lately also in the field of environmental science. For that purpose, Raman spectroscopy has been used as an analytical technique, but the interpretation of the spectra requires reliable and accurate computational protocols, especially as regards the Resonance Raman (RR) variant. Herein, caffeine solutions are sampled using Molecular Dynamics simulations. Upon quantification of the strength of the non-covalent intermolecular interactions such as hydrogen bonding between caffeine and water, UV-Vis, Raman, and RR spectra are computed. The results provide
general insights into the hydrogen bonding role in mediating the Raman spectral signals of caffeine in aqueous solution. Also, by analyzing the dependence of RR enhancement on the absorption spectrum of caffeine, it is proposed that the sensitivity of the RR technique could be exploited at excitation wavelengths moderately far from 266 nm, yet achieving very low detection limits in the quantification caffeine conten
David Bishop approach to vibrational dynamic contributions to molecular properties. Application to Jones and Magnetoelectric birefringences in diatomic molecules
No full textThe expressions derived by D. M. Bishop for the pure vibrational contributions
to the dynamic electric dipole polarizabilities and hyperpolarizabilities of polyatomic
molecules (see Bishop, D. M. Rev Mod Phys, 1990, 62, 343) are generalized to arbitrary
linear, quadratic and cubic response functions, and then applied to determine the effect
of nuclear motion on two diatomic molecules (N2 and CO) on Jones (and Magnetoelectric)
linear birefringences. The influence of nuclear motion on the anisotropy of the refractive
index appears to be quite contained: the observable differs from the equilibrium electronic
estimate by ≈4% for N2, and by ≈8–9% in CO. As a case study, also the effect of vibrations
on the temperature independent contribution to Buckingham birefringence of H2 and D2
is analyzed and discussed
When Tautomers Matter: UV-Vis Absorption Spectra of Hypoxanthine in Aqueous Solution from Fully Atomistic Simulations
Full text linkThe UV-Vis spectrum of the solvated purine derivative Hypoxanthine (HYX) is investigated using the Quantum Mechanics/Fluctuating Charges (QM/FQ) multiscale approach combined with a sampling of configurations through atomistic Molecular Dynamics (MD) simulations. Keto 1H7H and 1H9H tautomeric forms of HYX are the most stable in aqueous solution and form different stable complexes with the surrounding water molecules, ultimately affecting the electronic absorption spectra. The final simulated spectrum resulting from the combination of the individual spectra of tautomers agrees very well with most of the characteristics in the measured spectrum. The importance of considering the effect of the solute tautomers and, in parallel, the contribution of the different solvent arrangements around the solute when modeling spectral properties, is highlighted. In addition, the high quality of the computed spectra leads to suggesting an alternative way for acquiring tautomeric populations from combined computational/experimental spectra
Continuum vs. atomistic approaches to computational spectroscopy of solvated systems
Full text linkMolecular spectral signals can be significantly altered by solvent effects. Among the many theoretical approaches to this problem, continuum and atomistic solvation models have emerged as the most effective for properly describing solvent effects on the spectroscopic signal. In this feature article, we review the continuum and atomistic descriptions as applied to the calculation of molecular spectra, by detailing the similarities and differences between the two approaches from the formal point of view and by analyzing their advantages and disadvantages from the computational point of view. Various spectral signals, of increasing complexity, are considered and illustrative examples, selected to exacerbate the differences between the two approaches, are discussed
Analytical gradients for MP2, double hybrid functionals, and TD-DFT with polarizable embedding described by fluctuating charges
Full text linkA polarizable quantum mechanics (QM)/ molecular mechanics (MM) approach recently developed for Hartree-Fock (HF) and Kohn-Sham (KS) methods has been extended to energies and analytical gradients for MP2, double hybrid functionals, and TD-DFT models, thus allowing the computation of equilibrium structures for excited electronic states together with more accurate results for ground electronic states. After a detailed presentation of the theoretical background and of some implementation details, a number of test cases are analyzed to show that the polarizable embedding model based on fluctuating charges (FQ) is remarkably more accurate than the corresponding electronic embedding based on a fixed charge (FX) description. In particular, a set of electronegativities and hardnesses has been optimized for interactions between QM and FQ regions together with new repulsion-dispersion parameters. After validation of both the numerical implementation and of the new parameters, absorption electronic spectra have been computed for representative model systems including vibronic effects. The results show remarkable agreement with full QM computations and significant improvement with respect to the corresponding FX results. The last part of the article provides some hints about computation of solvatochromic effects on absorption spectra in aqueous solution as a function of the number of FQ water molecules and on the use of FX external shells to improve the convergence of the results. © 2015 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc
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