Self-assembly of mono- and bidentate oligoarylene thiols onto polycrystalline Au.

Four thiolated oligoarylene molecules (i) 4-methoxy-terphenyl-4″-methanethiol (MTM), (ii) 4-methoxy-terphenyl-3″,5″-dimethanethiol (MTD), (iii) 4-nitro-terphenyl-4″-methanethiol (NTM), and (iv) 4-nitro-terphenyl-3″,5″-dimethanethiol (NTD) were synthesized and self-assembled as monolayers (SAMs) on polycrystalline Au electrodes of organic field-effect transistors (OFETs). SAMs were characterized by contact angle and AC/DC electrochemical measurements, whereas atomic force microscopy was used for imaging the pentacene films grown on the coated electrodes. The electrical properties of functionalized OFETs, the electrochemical SAMs features and the morphology of pentacene films were correlated to the molecular organization of the thiolated oligoarylenes on Au, as calculated by means of the density functional theory. This multi-methodological approach allows us to associate the systematic replacement of the SAM anchoring head group (viz. methanethiol and dimethanethiol) and/or terminal tail group (viz. nitro-, -NO2, and methoxy, -OCH3) with the change of the electrical features. The dimethanethiol head group endows SAMs with higher resistive features along with higher surface tensions compared with methanethiol. Furthermore, the different number of thiolated heads affects the kinetics of Au passivation as well as the pentacene morphology. On the other hand, the nitro group confers further distinctive properties, such as the positive shift of both threshold and critical voltages of OFETs with respect to the methoxy one. The latter experimental evidence arise from its electron-withdrawing capability, which has been verified by both DFT calculations and DC electrochemical measurements.

Fibre-reinforced composite crowns luted to implant abutments via electroformed primary copings: an in vitro retention study.

AIM: The aim of this study was to investigate the retention values and mode of failure of metal crowns and fibre-reinforced composite crowns. METHODS: Seventy-five implants and the corresponding abutments were used. After the galvanic copings were fabricated, the specimens were distributed into three groups: in group A traditional metal crowns were realized, whereas in groups B and C fibre-reinforced composite crowns were made. In group B the same resin based cement used in group A was employed for luting the fibre-reinforced composite crowns to the galvanic copings, while in group C a dedicated self-adhesive composite cement was used. All galvanic coping/crown assemblies were cemented onto abutments with Panavia 21 cement. Specimens were subjected to a pull-out test; median retentive values and standard deviations were calculated. RESULTS: All samples in the group A showed separation at the abutment-galvanic cap interface. All samples in the group B showed decementation at galvanic cap-crown interface. In 13 samples of the group C the decementation occurred at the abutment-galvanic cap interface and in 12 samples of this group the decementation occurred at the galvanic cap-crown interface. The mean retention value was 659.1 N±162.9 for group A, 304.7 N±101.4 for B and 635.4 N±155.9 for C. Differences between groups A/B and B/C are statistically significant (t-student test, P<0.01), while is not statistically different between groups A/C. CONCLUSION: When a self-adhesive composite cement is used, fibre-reinforced composite single crowns and conventional metal crowns show similar retentive performance.

GolP: an atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water.

A classical atomistic force field to describe the interaction of proteins with gold (111) surfaces in explicit water has been devised. The force field is specifically designed to be easily usable in most common bio-oriented molecular dynamics codes, such as GROMACS and NAMD. Its parametrization is based on quantum mechanical (density functional theory [DFT] and second order Möller-Plesset perturbation theory [MP2]) calculations and experimental data on the adsorption of small molecules on gold. In particular, a systematic DFT survey of the interaction between Au(111) and the natural amino acid side chains has been performed to single out chemisorption effects. Van der Waals parameters have been instead fitted to experimental desorption energy data of linear alkanes and were also studied via MP2 calculations. Finally, gold polarization (image charge effects) is taken into account by a recently proposed procedure (Iori, F.; Corni, S. J Comp Chem 2008, 29, 1656). Preliminary validation results of GolP on an independent test set of small molecules show the good performances of the force field.

In vitro retentive strength of metal superstructures cemented to solid abutments.

AIM: The aim of this study was to evaluate the effect of sandblasting on the retentive strength of metal single crowns luted with a resin cement to Straumann implant/abutment assemblies. METHODS: Fifty 4.1 mm-wide Straumann solid screw implants were mounted in self-polymerizing soft resin. Standard 5.5 mm-high, 8 degree tapered solid abutments were placed on each implant and torqued to 35 Ncm. Fifty metal castings were made using prefabricated burn-out caps. Each implant/abutment assembly and its corresponding metal casting was numbered and they were divided into two groups of 25. In the test group, the external surface of the abutments and the cavosurface of the corresponding metal casting were sandblasted. In the control group, neither the implant abutment nor the metal casting underwent sandblasting. Each metal casting was cemented onto its respective implant/abutment assembly using Panavia 21 (Kuraray Europe GmbH, Dusseldorf, Ger-many) resin cement. Specimens were then subjected to a pull-out test using a universal Instron testing machine. The load required to dislodge each crown was recorded and mean values were calculated for each group. Retention values were analyzed using the ANOVA test. RESULTS: The test group showed a higher mean retention value (83.78 kgf+/-19.61) than the control group (44.03 kgf+/-9.45) and the difference was statistically significant. CONCLUSION: Within the limitations of this in vitro study, the results suggest that sandblasting treatment significantly increases mechanical retention of crowns cemented using a resin cement. It is at the clinician's discretion to evaluate whether additional retention is desired in cementing an implant-supported fixed partial denture.

Epithelial odontogenic ghost cell tumour of the mandibular gingiva.

The epithelial odontogenic ghost cell tumour (EOGCT) is considered as a solid 'neoplastic' variant of the calcifying odontogenic cyst and is an uncommon lesion for which various names have been proposed over the years. We describe here an extraosseous case occurring on the edentulous mandibular gingiva in the right bicuspid area of a 70-year-old woman. The lesion was a painless nodule that appeared clinically as a hyperplastic mass, which was considered to be of reactive nature. Radiographic examination showed a localised resorption of the underlying mandibular bone. The tumour was excised; there was no recurrence at a 2-year follow-up examination.

Comparative immunohistochemical analysis between jaw myxoma and mesenchymal cells of tooth germ.

The histogenesis of jaw myxoma is still debated. According to some authors it arises from the primitive mesenchymal components of developing teeth. In this study, we have studied the expression of S-100 protein and vimentin in dental follicle, dental papilla and periodontal ligament cells using monoclonal and polyclonal antibodies. Myxoma of the jaw expresses vimentin and S-100 protein. On the contrary, as compared to jaw myxoma, the normal developmental structures were immunonegative for S-100 protein but stained for vimentin. These results could indicate a difference in the derivation other than tooth mesenchyma.

Synthesis of alpha 2-macroglobulin in human gingiva: a study of the concentration of macroglobulin and albumin in gingival fluid and serum.

Albumin and alpha 2-macroglobulin were analysed in gingival fluid collected by filter paper strips from 6 volunteers before, during and after 10 days of dental plaque accumulation. The two proteins were also determined in samples of venous blood at the beginning of abstention from tooth brushing and 10 days later. A nephelometric technique was used for the analysis of albumin, but alpha 2-macroglobulin was determined by ELISA. The plaque and gingival indices, as well as the flow of gingival fluid, increased significantly during the period of plaque accumulation and then returned to baseline values. The concentrations of the two proteins in blood remained within normal limits. In gingival fluid, however, the concentration of albumin increased about two-fold at the peak of inflammation, while that of alpha 2-macroglobulin increased as much as 6 times. The enhanced passage of alpha 2-macroglobulin into the gingival sulcus in comparison to the entirely plasma-derived albumin was consistent with the concept that the greater excretion of globulin during inflammation must be due to an increased local synthesis.

In vitro release of elastase from human blood and gingival crevicular neutrophils.

Peripheral PMNs were collected from blood, and crevicular PMNs separated by filtration from gingival washings in 13 patients, aged 22-75 y, who had varying degrees of gingivitis and periodontitis. After pre-incubation with cytochalasin B, the same number of crevicular and peripheral cells were incubated either in PBS (with Ca2+ and Mg2+) (spontaneous release) or in the same buffer containing increasing concentrations of FMLP (stimulated release); elastase activity was measured in the supernatant by a fluorometric technique. There was a higher spontaneous release of enzyme from crevicular than from peripheral neutrophils. The average elastase activity in the supernatant of 1 x 10(4) crevicular cells was more than five times higher than that obtained from the same number of peripheral cells. However, stimulated crevicular PMNs liberated smaller amounts of enzyme than did stimulated peripheral PMNs. These results suggest that crevicular PMNs are already releasing elastase, and are consistent with the possibility that lysosomal enzymes contribute to tissue damage during gingivitis and periodontitis.

Ectopic third molar in the maxillary sinus. Case report.

Ectopic eruption of teeth can occur in a wide variety of sites. These include the mandibular condyle, coronoid process, palate, nasal cavity and maxillary sinus. While this process is unusual, the detection of a third molar in the maxillary antrum is extremely rare. A case is presented of ectopic eruption of a third molar in the left maxillary sinus of a 35-year-old caucasian male giving rise to local morbidity.

Submandibular sialolithiasis with concurrent sialoadenitis in a child.

Sialolithiasis is a relatively common condition in adults, but it is rarely observed in children. We report a case in a 7-year-old child with a sialolith in the anterior right Wharton's duct resulting in a submandibular sialoadenitis. Under local anesthesia the calculus was removed by means of a sialodochotomy. Post-operative recovery was uneventful and follow-up examinations showed recovery of the function of the affected gland.

[Myxoma of the jaws]. / Il mixoma dei mascellari.

A review of the literature and two observations made by the Authors regarding maxillary myxoma allow a closer analysis to be made of this rare benign tumour which is, however, often recurrent in young adults. Maxillary myxoma is identified by the appearance of a non-inflammatory and often painless swelling which, in radiological terms, appears to have a zone of multilocular and sometimes unilocular osteolysis. In histological terms, this globular whitish-greyish gelatine-like tumour is made up of an abundant stroma which encloses star-shaped or fusiform cells and rare collagen fibres. Treatment should be conservative where possible since radical surgery does not preclude recurrence; follow-up should be regular and long in order to ensure an early diagnosis of recividation. Although it is considered an odontogenic tumour, the odontogenic nature of maxillary myxoma has not been undisputably ascertained. The term maxillary myxoma is therefore preferable to that of odontogenic myxoma.

[Focal epithelial hyperplasia]. / Iperplasia epiteliale focale.

Five cases of "focal epithelial hyperplasia" (FEH) of the oral mucosa observed in Switzerland are reported. The patients were of Turkish and North African extraction. The lesions of FEH were multiple, painless, located at various sites of the oral mucosa including the tongue in the form of either soft papules or hard nodules. Evidence of a human papilloma virus origin was ascertained. Among the 1067 cases reported in the literature and reviewed for this study, this condition has been described to occur among American Indians, Eskimos and North African, also in Israeli and European cases the disorder was often reported in individuals of Turkish or North African extraction.

[Intramandibular inclusions of salivary gland tissue]. / Inclusioni intramandibolari di tessuto ghiandolare salivare.

Salivary gland tissue inclusions in the mandible appear as well delimited radiolucency areas, asymptomatic, usually located in the mandibular angle and sometimes in the premolar canine and symphysis regions. The examination of 8,500 radiographs has demonstrated an incidence of one radiolucent area at the mandibular angle every 500 radiographs. Our result is slightly inferior to the mean reported in the literature. Seven cases were examined. Six of them have been treated surgically and histologically. At exploration a defect in the lingual cortical plate was found. The cavities were filled by salivary gland tissue. The contents of the cavities were attached via the lingual cortical defect to the near salivary gland. The cause of such radiolucency situated in the mandibular angle seems to be an altered resorption and apposition process of the bone triggered by a modification of the salivary glands elasticity; on the contrary, the salivary inclusions in the symphysis region is referred to as embryonic origin. In the literature different terms are used often in relation with a pathogenetical hypothesis; in this paper we suggest rather a description terminology such as intramandibular salivary tissue.

Foliate papillitis occurring in a child: a case report.

Foliate papillae may occasionally become irritated, resulting in an hypertrophy of lymphoid tissue. This condition has been described in the literature as foliate papillitis and has been reported to occur in adults. We describe here an unusual case of foliate papillitis in a 9-year-old girl. Clinically the patient presented a pronounced enlargement of one foliate papilla. Furthermore, the lesion had a polypoid morphology and the mass appeared microscopically as aggregates of lymphoid tissue showing a reactive hyperplasia.

Probing charge transport in oxidatively damaged DNA sequences under the influence of structural fluctuations.

We present a detailed study of the charge transport characteristics of double-stranded DNA oligomers including the oxidative damage 7,8-dihydro-8-oxoguanine (8-oxoG). The problem is treated by a hybrid methodology combining classical molecular dynamics simulations and semiempirical electronic structure calculations to formulate a coarse-grained charge transport model. The influence of solvent- and DNA-mediated structural fluctuations is encoded in the obtained time series of the electronic charge transfer parameters. Within the Landauer approach to charge transport, we perform a detailed analysis of the conductance and current time series obtained by sampling the electronic structure along the molecular dynamics trajectory, and find that the inclusion of 8-oxoG damages into the DNA sequence can induce a change in the electrical response of the system. However, solvent-induced fluctuations tend to mask the effect, so that a detection of such sequence modifications via electrical transport measurements in a liquid environment seems to be difficult to achieve.

First-principles density-functional theory calculations of electron-transfer rates in azurin dimers.

We have conceived and implemented a new method to calculate transfer integrals between molecular sites, which exploits few quantities derived from density-functional theory electronic structure computations and does not require the knowledge of the exact transition state coordinate. The method uses a complete multielectron scheme, thus including electronic relaxation effects. Moreover, it makes no use of empirical parameters. The computed electronic couplings can then be combined with estimates of the reorganization energy to evaluate electron-transfer rates that are measured in kinetic experiments: the latter are the basis to interpret electron-transfer mechanisms. We have applied our approach to the study of the electron self-exchange reaction of azurin, an electron-transfer protein belonging to the family of cupredoxins. The transfer integral estimates provided by the proposed method have been compared with those resulting from other computational techniques, from empirical models, and with available experimental data.

Hydrogen-induced surface metallization of beta-SiC(100)-(3x2) revisited by density functional theory calculations.

Recent experiments on the silicon terminated (3 x 2)-SiC(100) surface indicated an unexpected metallic character upon hydrogen adsorption. This effect was attributed to the bonding of hydrogen to a row of Si atoms and to the stabilization of a neighboring dangling bond row. Here, on the basis of density-functional calculations, we show that multiple-layer adsorption of H at the reconstructed surface is compatible with a different geometry: in addition to saturating the topmost Si dangling bonds, H atoms are adsorbed at rather unusual sites, i.e., stable bridge positions above third-layer Si dimers. The results thus suggest an alternative interpretation for the electronic structure of the metallic surface.

First-principles theory of correlated transport through nanojunctions.

We report the inclusion of electron-electron correlation in the calculation of transport properties within an ab initio scheme. A key step is the reformulation of Landauer's approach in terms of an effective transmittance for the interacting electron system. We apply this framework to analyze the effect of short-range interactions on Pt atomic wires and discuss the coherent and incoherent correction to the mean-field approach.