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Pending the availability of vaccines to contain the SARS-CoV-2 pandemic, the current solution is &ldquo, social distancing&rdquo, with a reduction of dental treatments to those assessed as urgent and emergency cases. These treatments also involve Early Childhood Caries (ECC) due to the fact that this disease affects preschool children (a vulnerable population) and, in addition, shows a propensity to evolve into more serious complications (dental pain, infections). A narrative review was carried out to support a protocol for treating ECC with efficacious and safe (in terms of SARS-CoV-2 transmission) procedures. Protocol involves criteria for patients&rsquo, selection remotely (telemedicine), and well-detailed criteria/equipment and hygiene procedures to combat against SARS-CoV-2 transmission. Moreover, the protocol proposes innovative caries treatments, named Minimally Invasive Treatments (MITs), well known in pedodontics for their high level of children&rsquo, s acceptance during dental care. MITs allow for caries removal (particularly in primary teeth) without any high-speed rotating instrument cooled with nebulized air-water spray (with high risk of virus environmental diffusion), usually adopted during traditional treatments. For evaluating MITs effectiveness in caries management, only Systematic Review and Randomized Controlled Trials (RCTs) were included in our study, without any risk of bias assessment. The indications proposed in this protocol could support clinicians for the temporary management of ECC until the SARS-CoV-2 pandemic ends.

Anisotropic two-dimensional materials possess intrinsic angle-dependent physical properties that originate from their low crystal symmetry. Yet, how these properties are affected by external impurities or structural defects in the material is still wholly unclear. Here, we address this question by investigating the electrical transport in the anisotropic layered model system germanium arsenide. First, we show that the ratio of conductivities along the armchair and zigzag crystallographic directions exhibits an intriguing dependence with respect to both temperature and carrier density. Then, by using a conceptually simple model, we demonstrate that this unexpected behavior is directly related to the presence of impurity-induced localized states in the band gap that introduce isotropic hopping conduction. The presence of this conduction mechanism in addition to the intrinsic band conduction significantly influences the anisotropic electrical properties of the material, especially at room temperature, i.e., at application-relevant conditions.

Via experiments performed by varying the doping level of single-layer mechanically exfoliated MoS2via post exfoliation thermal annealing in the 200-300 °C temperature range, we study the power dependent room temperature (RT) photoluminescence (PL), which is dominated by A type excitons. The PL spectral yields of the as-exfoliated and annealed samples show sub-linear behaviour as a function of the excitation laser power. The PL signal of the 200 °C annealed sample is dominated by the charged exciton (trion) related peak, while the PL signal of the 300 °C annealed sample is dominated by the neutral exciton related peak, and the PL spectral weight of excitons is tunable in this temperature range. The PL signal increase due to annealing and the intensity ratio of the A type excitons are related, showing a hyperbolic tangent trend. We directly quantitatively demonstrate the one-to-one correlation of the RT resonant Raman (632.8 nm) integrated spectral intensity with the corresponding PL spectral yield, providing experimental evidence of the exciton-phonon coupling effect. The in-plane E2g1 Raman mode exhibits strong coupling with A excitons, while the out-of-plane A1g Raman mode does not. This is an indication of the in-plane spatial symmetry of the A excitons.

Carbon spheres of nanometric dimension are known since the first studies on the synthesis of fullerenes. Their shape originates from the curvature of a carbon sheet similar to fullerenes, but with numerous graphitic rings that regulate the inside structure and the formation of open edges at the surface. This paper focuses on the structural and electronic characterization of carbon spheres obtained from a chemical vapor deposition synthesis process. Two different sets of samples are analyzed in detail, in particular, electron microscopies and Raman spectroscopy help understanding the morphology and the graphitic-sp2 arrangement of the carbon atoms in the architectures. In addition, the iron catalyst used during the reaction process confers the carbon spheres a ferromagnetic response at room temperature. Therefore, both the structural properties of the samples and the active contribution of iron mark the difference in the measured photoresponse as well as in the electrochemical behavior. The X-ray photoelectron spectroscopy study addresses these points by giving information on the composition and the iron chemical state in the assembly. The collected results underline the advantages offered by this nanomaterial for sustainable applications.

In addition to tobacco and alcohol consumption, the two main risk factors for oral squamous cell carcinoma (OSCC), recent studies have revealed infections with human papilloma virus (HPV) as an additional risk factor for OSCC development. In the field of head and neck malignancies, the prevalence of HPV infections in oropharyngeal cancer (OC) ranges in different studies up to 84%. While HPV infection is discussed as an independent risk factor in this region, its distinguished role in carcinogenesis of tumours localized to the oral cavity remains uncertain. A systematic literature search was performed using PubMed, Cochrane library, Science Direct, and the Internet search, with language restricted to English. The search included published studies which dealt with detection methods of HPV-related oral and oropharyngeal cancers and biomolecular studies, particularly regarding the compromising of p53 p16 and e-cadherin’s. P53 Tumour suppressor protein p53 has several functions that are related to maintaining genomic stability and inhibiting cell proliferation in response to DNA damage. For preventing neoplasia to occur, the most important of these functions are cessation of cell growth and induction of either apoptosis or senescence. P16 is a cellular protein involved in cell cycle regulation. It is a cyclin-dependent kinase 4 (CDK4) inhibitor, and is integral to Rb mediated regulation of G1-S phase of the cell cycle. P16 is expressed at a very low level in normal cell as Rb inhibits transcription of p16. Various detection methods ranging from immunohistochemistry (IHC) to molecular techniques have been used to determine the HPV status of HNSCC. E-cadherin, a 120 kDa Type I classical cadherin, is expressed primarily on epithelial cells. It is found on the surface of keratinocytesand Langerhans cells (LC) and E-cadherin mediated adhesion between these cell types is required for LC retention in the epidermis. It is also an important tumour suppressor protein: its loss or inactivation is associated with epithelial-to-mesenchymal transition (EMT), a process involving dedifferentiation, infiltration and metastasis of tumours. Oral carcinogenesis is a multi-factorial process involving socioeconomic, environmental and microbial factors leading to multistep changes. Smoking and tobacco exposure seems to modify the survival and recurrence of HPV positive tumours and should be considered in future trials for risk stratification of HPV positive patients. HPV associated oropharynx cancer represents a distinct clinical and biologic entity with many unresolved issues that will be investigated in future translational, clinical research. We need to further explore and understand why the disease occurs predominantly in males, and whether the natural history of oral HPV infection differences in men and women.

Cancer of the oral cavity is known to have a diverse aetiology that includes infectious agents. Human papilloma virus has been found to be associated with several types of human cancer, inclusive of cervical, vulvar, vaginal, penile, anal, and cancer of tonsil. The aim of this manuscript is to investigate the presence of human papilloma virus in tonsillar microbiota of an Afghan population group. A sample of the tonsillar microbiota was collected by oral swab paper stick from 80 healthy donors. The sample was investigated for the presence of high-risk human papillomavirus types 16, 18, 31 and 45 by real time PCR. Eight samples produced some positive endpoint signals for human papillomaviruses. The human papillomavirus 31 was the unique papillomavirus detected; its calculated prevalence rate was 0.10 (C.I. 0.05-0.19). However, the viral load was always very low, in the order of 10-3 viral genomes per cell. The high prevalence of high-risk human papillomavirus in healthy population suggest a need for further investigation on virus spreading and supports the development of vaccination strategies.

Endocarditis is a cardiovascular disease caused by the inflammation of the inner tissues of the heart, the endocardium, usually of the valves. Bacteraemia is essential in the development of endocarditis, and there are some findings that the main pathogens of endocarditis are viridans group streptococci: Streptococcus oralis, Streptococcus sanguinis, and Enterococcus faecalis. There is strong evidence that endocarditis bacteria are present in the tonsillar microbiota, so that tonsillar infection is associated with an increased risk of endocarditis. The aim of this manuscript is to investigate the presence of the main pathogens of endocarditis in tonsillar microbiota of an Afghan population group. A sample of 80 tonsil swabs were analyzed by quantitative real time PCR to detect endocarditis pathogens and an estimation of the total bacterial load. The median bacterial load in PCR reaction was 1.4x106 (interquartile range 4,7x105 - 2,9x106). Three species, S. Oralis, S. Sanguinis, and E. Faecalis were found in large amounts in all specimens. On the other hand, S. Mitis was never detected. The S. Aureus was found in 3 samples with a prevalence of 0.04 (C.I. 0.01-0.10). The S. Mutans was found in 33 samples with a prevalence of 0.41 (C.I. 0.31-0.52). Endocarditis bacteria has been found into the tonsillar microbiota, so there is sufficient evidence to justify that the oral cavity is a reservoir of endocarditis bacteria that can have a significant impact on the cardiovascular function.

The aim of this paper is to describe the efficacy of Human Papilloma Virus (HPV) vaccines for preventing oral cancer. A systematic review of the literature was conducted to describe the state of the art about HPV vaccines for preventing oral cancer. The aspects of prevention and control of infection by administering vaccines and the diffusion of sexual education campaigns are discussed also. In recent years there has been a growing interest in HPV in dentistry, suggesting a role of such a family of viruses in the development of oral cancers as well as of the uterine cervix. Even if the mass media have increasingly faced the problem, causing frequent alarming among patients, the dentist therefore needs a complete and up-to-date knowledge of this infectious condition that is one of the most common causes of sexually transmitted mucous membrane infections (eg genital, anal and oral). Recent studies about HPV infection are a basic requirement in order to promote the HPV vaccinations and patient’s health.

The aerosol produced during the use of dental instruments can spread pathogens potentially harmful to health. Most of the pathogens found in hydraulic system are Gram-negative aerobic heterotrophic environmental bacterial species exhibiting very low pathogenicity, although they may be of concern in the treatment of vulnerable patients, such as immunocompromised, medically compromised individuals and dental team. Dental team can be exposed to pathogenic microorganisms including cytomegalovirus, hepatitis B virus, hepatitis C virus, herpes simplex virus and Legionella spp. Legionella spp. are ubiquitous in hydraulic system, in fact surveys have shown that the percentage of samples taken at different dental chairs that were positive for Legionella spp. and ranged from 0 to 100%. The concentration of Legionella spp. in hydraulic system may reach 1000 organisms per ml. The primary route of Legionella spp. transmission is inhalation or aspiration of environmentally contaminated aerosols. All dentists are required to conduct a statutory risk assessment of their hydraulic system, in fact to comply with their legal duties, dentists must identify and assess the sources of risk and prepare a scheme for preventing and controlling risks. Moreover, they must monitor the quality of their hydraulic system at least annually to ensure that they are "legionellae free".

Aim: The aim of this study was to assess the sensitivity of orthopantomography (OPT) in the diagnosis of long term complications in oral rehabilitations with blade implants. Materials and methods A total of 235 blade implants in 189 patients, inserted between 1988 and 2003, were retrospectively analyzed. The records consisted of a first OPT taken between January and December 2010, and a second one 12 months after. The evaluation of implant health considered: integrity of the blade, normal radiological representation of the bone around the implant, dense and cortical appearance of bone around the implant collar. The evaluation of radiological complications considered: implant fracture, bone resorption around the implant, recession of the bone around the implant collar. Results The sensitivity of the panoramic evaluation was equal to 100%. The complications detected were 5 cases of periimplantitis, 9 cases of bone pericervical bone recession and 3 cases of fracture of the implant body. In cases of pericervical bone resorption the following radiological check up 12 months after the first one showed the progression of the disease in 6 out of 9 cases, with irreversible implant failure. In subjects with a radiological pattern of implant health there were no complications in the subsequent check up after 12 months. In the subjects with complications the specificity was equal to 100%. Conclusion The radiographic evaluation by the means of OPT has shown high sensitivity in the diagnosis of long term complications of oral rehabilitations with blade implants and allows prompt therapeutic interventions. Radiological complications appeared mostly in the long term check ups and mainly consisted in recession of the bone around the neck or around the entire implant. More rarely implant fractures occurred, which, in the case of blades, sometimes were not associated with any clinical symptoms: therefore, postsurgical evaluation should not be separated from diagnostic imaging.

We report a compared analysis of inelastic X ray scattering (IXS) and of low frequency Raman data of glassy 3-methylpentane. The IXS spectra have been analysed allowing for the existence of two distinct excitations at each scattering wavevector obtaining a consistent interpretation of the spectra. In particular, this procedure allows us to interpret the linewidth of the modes in terms of a simple model which relates them to the width of the first sharp diffraction peak in the static structure factor. In this model, the width of the modes arises from the blurring of the dispersion curves which increases approaching the boundary of the first pseudo-Brillouin zone. The position of the boson peak contribution to the density of vibrational states derived from the Raman scattering measurements is in agreement with the interpretation of the two excitations in terms of a longitudinal mode and a transverse mode, the latter being a result of the mixed character of the transverse modes away from the center of the pseudo-Brillouin zone.

Purpose To determine the existence of any correlation between the degree of divergence and apical and coronal arch form using cone-beam computed tomography (CBCT). Materials and methods A total of 176 (88 coronal and 88 apical) CBCT scans pertaining to a sample of 44 subjects (16 males and 28 females), of which 26 were Class I, 14 Class II and 4 Class III, were analysed. A lateral projection of the skull was obtained from each VCT and cephalometric tracing was performed (according to Ricketts) so as to divide the sample into subgroups based on the degree of divergence (11 short-faced, 18 norm-faced and 15 long-faced subjects). Dahlberg's index values were calculated and Student's t-test for paired data was applied. Results On the whole, the hyperbolic cosine curve was found to be the most representative of the arch forms considered. Conclusions A correlation between degree of divergence and the arch form of the apical and, especially, coronal portions of both the upper and lower jaws was revealed.

Purpose To present the most frequent occult pathologies unexpectedly encountered via cone-beam computed tomography (CBCT), with particular reference to the diagnostic role of the dentist and that of the radiographer, with a view to clarifying where the diagnostic responsibility lies. Material and methods A narrative literature review on the most diffused occult pathologies under CBCT was conducted, with iconographical guide as an example for each category. Results The most frequent forms of unexpected pathologies encountered are: the presence of foreign bodies, airway anomaly, and the presence of radio-opacity or -transparency in the maxillofacial district. Conclusions The orthodontists must know that they are responsible to recognize these frequent, and potentially serious, pathologies of the head and neck. If the dentist feels unable to take on this responsibility, he or she should, however, be sure to have the scans read by a specialist radiologist.

Diagnosis of focal disease, the theory that the human oral microbial (HOM) could affect the onset and development of systemic diseases, was very popular in the past, but the lack of scientific evidence has led to the abandonment of this idea. Interestingly, increasing evidence over the past 3 or so decades suggests that HOM can indeed serve as a reservoir for systemic dissemination of pathogenic bacteria and their toxins in distant body sites, favouring the developments of malignant tumours. Malignant tumours are complex communities of oncogenically transformed cells with aberrant genomes, associated nonneoplastic cells including immune and stromal cells, and sometimes HOM, including bacteria and viruses. Recent data suggest that HOM and periodontal disease play an active role in the pathogenesis of colorectal cancer, in fact HOM has been found within the colorectal cancer microenvironment, and the composition of the HOM was different from that of adjacent non- neoplastic tissue. An association of fusobacterium nucleatum with the colonic mucosa of colorectal cancer has been proven. Several questions thus arise. Is periodontal disease a risk factor for colorectal carcinoma? Given the connectivity of the digestive tract, could fusubacterium nucleatum or other HOM be involved in additional gastrointestinal disorders? Furthermore, based on the “mobility” of Fusubacterium nucleatum and the omnipresence of cadherins, could this organism be involved in cancers beyond the gastrointestinal tract? Answers to these questions will shed new lights on the role of the HOM in onset of diseases.

We report here a combined experimental and theoretical study on the bio-compatible salicylate choline ionic liquid. The liquid structure has been investigated by X-ray diffraction and vibrational (IR and Raman) spectroscopy. Local structure has been obtained from ab initio calculations on static ion pairs and from dynamic simulations of a small portion of the liquid. The theoretical models indicate that salicylate is connected by hydrogen bonding to choline mainly through the carboxylate group and forms stable ion pairs. A strong intramolecular interaction hinders internal rotations of the OH group of salicylate and competes with the hydrogen bonding with choline. When the liquid has been simulated by classical force fields we found a good agreement with the X-ray experimental features, comparable to that obtained from AIMD simulations. Important insights on hydrogen bonding between carboxylate and choline have been also derived from the analysis of the CO stretching modes of carboxylate measured in the Raman and IR spectra and calculated from VDOS-Wannier centers procedures.

We report an optical contrast study of graphene oxide on 72 nm Al2O3/Si(100) and 300 nm SiO2/Si(100) as a function of its reduction degree. The reduction has been performed by means of ultrahigh vacuum thermal annealing from 25 degrees C (pristine graphene oxide) to 670 degrees C. In parallel to the optical contrast investigation, performed with optical microscopy, the graphene oxide films have been characterized with core level X-ray photoemission spectroscopy and micro-Raman spectroscopy. The optical contrast of graphene oxide (normalized to the one measured for pure graphene) on both substrates ranges from similar to 0.4 to 1.0 for pristine and 670 degrees C annealed graphene oxide, respectively. Optical microscopy and X-ray photoemission spectroscopy data have been cross-correlated, leading to calibration graphs that demonstrate that just by simply measuring the optical contrast of graphene oxide one can determine with very good approximation the fraction of sp(2) hybridized carbon.

Graphene and its related materials have attracted much interest in sensing applications because of their optimized ratio between active surface and bulk volume. In particular, several forms of oxidized graphene have been studied to optimize the sensing efficiency, sometimes moving away from practical solutions to boost performance. In this paper, we propose a practical, high-sensitivity, and easy to fabricate gas sensor based on high quality graphene oxide (GO), and we give the rationale to the high performance of the device. The device is fabricated by drop-casting water-dispersed single-layer GO flakes on standard 30 mu m spaced interdigitated Pt electrodes. The exceptional size of the GO flakes (27 mu m mean size and similar to 500 mu m maximum size) allows single GO flake to bridge electrodes. A typical p-type response is observed by testing the device in both reducing and oxidizing environments. The specific response to NO2 is studied by varying the operating temperature and the gas concentration. Sensing activity is demonstrated to be mainly mediated by the oxygen functional groups. A 20 ppb detection limit is measured. Besides illustrating a simple and efficient approach to gas sensing, this work is an example of the versatility of graphene oxide, accomplishing tasks that are complementary to graphene. adjacent

We have used Raman spectroscopy, transmission electron microscopy, x-ray diffraction, and x-ray photoemission spectroscopy to investigate strain relaxation mechanism of Si(0.22)Ge(0.78) heteroepitaxial layer deposited on Si substrates in tensile, neutral, and compressive strain conditions. The three regimes have been obtained by interposing between the SiGe layer and the substrate a fully relaxed Ge layer, a partially relaxed Ge layer, or growing directly the alloy on Si. We found that the deposition of a Ge buffer layer prior to the growth of the SiGe is very promising in view of the realization of thin virtual substrates on silicon to be used for the deposition of strain-controlled high Ge content SiGe alloys. We demonstrate that this is mainly due to the strain relaxation mechanism in the Ge layer occurring via insertion of pure edge 90 degrees misfit dislocations (MDs) and to the confinement of threading arms in to the Ge layer due to a second MD network formed at the SiGe/Ge heterointerface.

International audience; The recently developed technique of Brillouin ultraviolet scattering is used to measure phonon dispersion and damping in the prototypical strong glass v-SiO2. Results on the low temperature, T ~ 10 – 100 K, sound attenuation at a frequency around 66 GHz are presented. The comparison between a model which takes into account dynamical processes (thermally activated relaxations and the interaction with the bath of thermal vibrations) and the experimental data indicates the presence of a strong static contribution in the region explored by ultraviolet radiation supporting the presence of a transition between static and dynamic attenuation mechanisms at a frequency around 100 GHz.

We present a multiple-grating spectrometer designed for high-resolution and high-contrast low-frequency scattering spectroscopy in the ultraviolet, as well as in the visible spectral regions. The instrument has a resolution better than 1 GHz and a contrast of about 1×10−10 both in the visible and in the UV range, thus doubling the highest resolution achieved by double-monochromator double-pass spectrometers such as the SOPRA DMDP2000, conceived for Raman–Brillouin spectroscopy using visible excitation. Performance tests and the Brillouin spectra obtained in the ultraviolet range are reported. Ray tracing results, aiming to give a better insight on the instrument performances are also presented. The instrument opens the possibility to study a new region of the exchanged momentum with a suitable energy resolution and to investigate the spectrum of density fluctuations in materials where the UV penetration depth could be a relevant step for the experimental study of the dynamics of disordered material.

The principles of the Double Difference (DD) method, applied to the neutron spectrometer VESUVIO, are discussed. VESUVIO, an inverse geometry spectrometer operating at the ISIS pulsed neutron source in the eV energy region, has been specifically designed to measure the single particle dynamical properties in condensed matter. The width of the nuclear resonance of the absorbing filter, used for the neutron energy analysis, provides the most important contribution to the energy resolution of the inverse geometry instruments. In this paper, the DD method, which is based on a linear combination of two measurements recorded with filter foils of the same resonance material but of different thickness, is shown to improve significantly the instrumental energy resolution, as compared with the Single Difference (SD) method. The asymptotic response functions, derived through Monte-Carlo simulations for polycrystalline Pb and ZrH2 samples, are analysed in both DD and SD methods, and compared with the experimental ones for Pb sample. The response functions have been modelled for two distinct experimental configurations of the VESUVIO spectrometer, employing 6Li-glass neutron detectors and NaI gamma detectors revealing the gamma-ray cascade from the (n, gamma) reaction, respectively. The DD method appears to be an effective experimental procedure for Deep Inelastic Neutron Scattering measurements on VESUVIO spectrometer, since it reduces the experimental resolution of the instrument in both 6Li-glass neutron detector and gamma detector configurations.

Disorder phenomena related to formation conditions of natural and synthetic spinels, both stoichiometric (MgO·Al2O3) and those exhibiting different Al/Mg ratios, are investigated by photoluminescence spectroscopy. The same approach appears to be less adequate when dealing with more complex materials, such as beryls (3BeO·Al2O3·6SiO2). On the other hand, Raman spectroscopy allows easy identification of different varieties of beryls and of their inclusions, together with that of widely used imitations. The above techniques are totally non-destructive and do not require any treatment of the samples. The apparatus developed at our laboratories allows investigation of irregularly shaped samples within a large range of sizes.

The hydrogen projected OH stretching density of states has been determined by an inelastic neutron scattering experiment in liquid and supercritical water. The results, compared with new measurements of the isotropic Raman spectra at the same state conditions, support the interpretation of the Raman spectra in terms of superposition of the allowed ν1 band with the overtone of the ν2 band.

Neutron diffraction data, obtained by employing the hydrogen isotope substitution technique, on orthobaric hydrogen chloride at two state points are presented. The site-site radial distribution functions are derived from these data and are compared with similar results obtained previously for hydrogen iodide and hydrogen bromide. Comparison of the measured hydrogen-hydrogen and chlorine-hydrogen radial distribution functions with those derived assuming uncorrelated orientations demonstrates the presence of strong orientational correlations between first neighboring HCl molecules at both states. An analysis of molecular configurations compatible with the experimental data as generated by a Monte Carlo simulation routine is used to discuss the extent of hydrogen bonding in liquid HCl.

Neutron Compton Scattering (NCS) measurements can provide direct information about mean kinetic energy of molecules in quantum fluids. The principal tool in interpreting NCS experiments is the Impulse Approximation (IA). A different approach to bhe scattering process, which takes into account the exact total energy of the initial state and the average potential energy of the final one, is investigated. This approach describes experimental data for a quantum molecular fluid (D2) more precisely than IA.

We report neutron diffraction measurements for two Ne-Xe mixtures at $T=275$ K and $P=26$ MPa, having a Xe molar fraction of 0.81 and 0.45, respectively. These thermodynamic points are chosen to be in the single phase region, close to the gas-gas demixing surface. Total structure factors and neutron weighted pair distribution functions have been extracted. Partial pair distribution functions ${g}_{\mathrm{ij}}(r)$ have been calculated by means of molecular dynamics simulation using Lennard-Jones interaction potentials and the Lorentz-Berthelot mixing rules, obtaining a good agreement with the experimental data. These partial pair distribution functions have been analyzed in terms of density expansion and also compared with those derived in a previous experiment on a He-Xe mixture. The main difference found between the structural properties of the two mixtures is that, in the Ne containing mixture, a definitely larger fraction of atoms of the lighter species occupies the Xe-Xe first neighbor shell. The model already used in interpreting the thermodynamic behavior of the He-Xe mixture in terms of microscopic properties suggests that this structural difference is related to the different behavior of the pressure-temperature projection of the critical line in the two mixtures.

Recent experimental results obtained on normal and deuterated water using light-scattering spectroscopy from Brillouin to librational Raman frequencies are reviewed. Particular attention is devoted to the librational mode region and to the Rayleigh wing where both new measurements (including depolarization ratio measurements and absolute intensities analysis) and computer simulation have pointed out the importance of “interaction-induced” scattering contributions in interpreting quantitatively this low-frequency part of the spectrum. The agreement between experimental and simulated data extends up to the 400 wavenumbers band, excluding the presence of direct electronic disturbances created by hydrogen-bond formation dynamics in this spectral region.

A comparison is made between the rotovibrational Raman bands of fluid nitrogen at room temperature in the 180–355 amagat density range and the corresponding pure rotational bands reported previously. Accurate moment values are derived from the Raman spectra, accounting for the response of the entire experimental apparatus, after subtraction of the unwanted isotope band and of the leaking polarized Q branch. Correlation times are also calculated for both rotovibrational and pure rotational spectra accounting for the finite instrumental slitwidth. Intermolecular torques and orientational correlation times derived from the two spectra are in good agreement for almost the entire available density range. Small discrepancies, particularly evident in the low density correlation times, are discussed and related to the rotation-vibration interaction. Intermolecular correlations are found to be negligible.

The Raman scattering cross-section in molecular systems is calculated with the aim of accounting for the low frequency spectrum of disordered media. It is shown that, as far as translational motions are concerned, the isotropic polarizability correlation function is not strongly affected by the structural disorder and is essentially determined by the density-density correlation function. In contrast the anisotropic term depends strongly on the disorder of the system. Its contribution to the scattered light spectrum is governed by single molecule dynamics, thus reflecting in some cases the entire density of translational states, while the intensity is determined by the rotational—translational coupling.

Polarized and depolarized Raman spectra in the translational and librational region of liquid water and heavy water have been measured as a function of temperature. A detailed analysis of the isotropic spectrum is performed. This component, which cannot arise from any 'allowed' molecular contribution in this frequency region, shows two distinct spectral features which can be obtained from an analysis of temperature dependent lineshapes. The first one, which dominates the spectrum up to 500crn-1, shows on the basis of a H20-DzO comparison a translational behaviour at very low frequency and a librational one at higher frequencies. It is assigned on the basis of its frequency profile, of its absolute intensity and of its temperature dependence to rototranslational spectra due to long range induction mechanisms already found in many molecular liquids. The second one, which is peaked at roughly 800 cm-1 in water and extends up to the bending mode region suggests the existence of a short range interaction induced polarizability.

We have derived an expression for the light scattering spectrum of a crystal in which the mechanically regular sites are occupied by point polarizable orientationally disordered molecules when the polarizabilities are assumed to depend on the positions of the surrounding atoms (interaction induced polarizability fluctuations). Owing to the ‘electrical’ disorder properties of the system all phonons can contribute to the anisotropic scattering measured in all polarization configuration with wavevector, branch index and polarization dependent coefficients. Assuming short range interaction induced polarizabilities we show that the temperature reduced intensity I(ω)/[n(ω) + 1] is given by a superposition of the Brillouin zone centre symmetry ‘projected’ density of states with polarization dependent coefficients. These coefficients are found to be essentially frequency independent for all the projections, exception made for those corresponding to the acoustic phonons. For the acoustic branches the coefficients ...