The beneficial effects of simultaneous supplementation of Lactobacillus reuteri and calcium fluoride nanoparticles on ovariectomy-induced osteoporosis.

BACKGROUND: The development of new strategies to inhibit and/or treat osteoporosis as a chronic systemic disease is one of the most crucial topics. The present study aimed to investigate the simultaneous effects of calcium fluoride nanoparticles (CaF2 NPs) and lactobacillus reuteri ATCC PTA 6475 (L. reuteri) against osteoporosis in an ovariectomized rat model (OVX). METHODS: In this study, 18 matured Wistar female rats were randomly assigned into 6 groups, including control, OVX, sham, OVX + L. reuteri, OVX + CaF2 NPs, and OVX + L. reuteri + CaF2 NPs. We used OVX rats to simulate post-menopausal osteoporosis, and the treatments were begun two weeks before OVX and continued for four weeks. All groups' blood samples were collected, and serum biomarkers (estrogen, calcium, vitamin D3, and alkaline phosphatase (ALP)) were measured. The tibia and Femur lengths of all groups were measured. Histopathological slides of tibia, kidney, and liver tissues were analyzed using the Hematoxylin and Eosin staining method. RESULTS: Our results revealed that dietary supplementation of L. reuteri and CaF2 NPs in low doses for 6 weeks did not show adverse effects in kidney and liver tissues. The tibial and femoral lengths of OVX rats as well as the population of osteoblasts and osteocytes and newly generated osteoid in the tibia remarkably increased in the combination therapy group. Moreover, there was a significant increase in serum estrogen levels and a significant decrease in serum calcium and alkaline phosphatase levels in combination treatment groups compared to the OVX groups not receiving the diet. CONCLUSIONS: Our results suggest the favorable effects of the simultaneous supplementation of L. reuteri and CaF2 NP to reduce post-menopausal bone loss.

Mineral Nanomedicine to Enhance the Efficacy of Adjuvant Radiotherapy for Treating Osteosarcoma.

It is vital to remove residual tumor cells after resection to avoid the recurrence and metastasis of osteosarcoma. In this study, a mineral nanomedicine, europium-doped calcium fluoride (CaF2:Eu) nanoparticles (NPs), is developed to enhance the efficacy of adjuvant radiotherapy (i.e., surgical resection followed by radiotherapy) for tumor cell growth and metastasis of osteosarcoma. In vitro studies show that CaF2:Eu NPs (200 µg/mL) exert osteosarcoma cell (143B)-selective toxicity and migration-inhibiting effects at a Eu dopant amount of 2.95 atomic weight percentage. These effects are further enhanced under X-ray irradiation (6 MeV, 4 Gy). Furthermore, in vivo tests show that intraosseous injection of CaF2:Eu NPs and X-ray irradiation have satisfactory therapeutic efficacy in controlling primary tumor size and inhibiting primary tumor metastasis. Overall, our results suggest that CaF2:Eu NPs with their osteosarcoma cell (143B)-selective toxicity and migration-inhibiting effects combined with radiotherapy might be nanomedicines for treating osteosarcoma after tumor resection.

Evaluation of Physical Parameters of Novel Licorice Varnish Versus Fluoride and Combination Varnish: An In-Vitro Study.

OBJECTIVES: The aim of this study was to evaluate the physical properties of locally prepared Licorice varnish (LV), commercially available Fluoride varnish (FV) and a Combination of both Varnishes (CV). MATERIAL AND METHODS: LV was prepared using authenticated licorice roots. Commercially available FV (Bifluorid 12) was used as a positive control and CV was prepared in six different concentrations of both varnishes. Conventional antibacterial activity assessment, employing disc diffusion and broth dilution methods, was inconclusive. Therefore a novel assessment method was used, whereby the varnish was directly added to a mixture of Brain Heart Infusion broth with Streptococcus mutans and incubated. Physical parameters such as pH, rate of evaporation, viscosity, film forming ability, and cost incurred for preparation were assessed and compared. RESULTS: FV, LV and CV (except the combination of LV 80% + FV 20%) showed antibacterial activity against Streptococcus mutans. All three varnishes formed films on the tooth surface as confirmed by Scanning Electron Microscopy. Mean pH was in the range of 4-4.5, viscosity 48-52 centipoise (cP), rate of evaporation was 150-160 seconds. They were comparable to each other in the physical parameters tested, except for the shelf life of LV. CONCLUSION: All three varnishes showed antibacterial activity against Streptococcus mutans which was established using an innovative method of antibacterial activity assessment. LV was most economical of all but had a shorter shelf life. The results of this study need to be evaluated through an in vivo study.

Remineralizing effect of a fluoridated gel containing sodium hexametaphosphate: An in vitro study.

OBJECTIVES: To evaluate in vitro the effect of neutral pH topical gels with reduced fluoride concentration (F), supplemented or not with sodium hexametaphosphate (HMP) on the remineralization of dental enamel, using a pH-cycling model. Materials and methods Bovine enamel blocks with caries-like lesions were randomly treated with five gels (n = 24/group): without F/HMP (Placebo); 4500 ppm F (4500F), 4500F plus 9% HMP (4500F + HMP); 9000 ppm F (9000F); and 12,300 ppm F (Acid gel). After pH-cycling, the percentage of surface hardness recovery (%SHR), integrated loss of subsurface hardness (ΔKHN), and concentrations of loosely- (CaF2) and firmly-bound (FA) fluoride formed and retained in/on enamel were determined. The results were analyzed by ANOVA followed by the Student-Newman-Keuls test (p < 0.001). RESULTS: The 4500F + HMP gel promoted the highest %SHR among all groups; the lowest ΔKHN was achieved by 4500F + HMP and Acid gel, without significant differences between these. The Acid gel group presented the highest CaF2 and FA formed and retained on/in enamel (p < 0.001). CONCLUSION: Based on the present results, the addition of 9% sodium hexametaphosphate to a gel with reduced fluoride concentration (4500F) was able to significantly enhance the remineralization of artificial carious lesions in vitro when compared to 4500F, reaching protective levels similar to an acidic formulation with ∼3-fold higher fluoride concentration.

Hydrogel-Templated Solid Base Catalysts for Transesterification of Soybean Oil.

A new method for utilization of hydrogel is proposed here for the preparation of solid base catalysts for the transesterification of vegetable oil. When a solution of KF is mixed with a solution of Ca(NO3)2, CaF2 is obtained and inactive as a catalyst in the transesterification of vegetable oils. The catalysts were synthesized by the sequential incorporation of KF and/or Ca(NO3)2 solutions into the hydrogel upon microwave irradiation and then the as-obtained hydrogel was calcined at 800°C for 5 hours to eliminate the template and yield catalysts for the biodiesel productions. The prepared catalysts obtained by the different ways in the incorporation of ions into the hydrogel showed different physical properties and catalytic activities in the transesterification of soybean oil. All catalysts, except the low concentration of Ca(NO3)2, exhibiting the high activity yielding more than 90% FAME after 1 hour at 65°C, using oil to methanol molar ratio of 1:15 and 10 wt% of catalyst amounts.

The influence of varnish and high fluoride on erosion and abrasion in a laboratory investigation.

BACKGROUND: The aim of this study was to investigate the potential of concentrated fluoride varnishes to reduce enamel loss from repeated cycles of citric acid erosion and toothbrush abrasion in vitro. METHODS: Polished human enamel samples were exposed to fluoride varnishes: Bifluorid10® (NaF&CaF2- 45,200 ppmF), Duraphat® (NaF 22,600 ppmF), Fluor-Protector® (difluorsilane 1000 ppmF) and a control coating of copal ether varnish (0 ppmF) group and a deionized water group. For each group of 16 samples, nine cycles of erosion and nine cycles of erosion-abrasion [1 cycle=erosion (0.3% citric acid, pH 3.2, 5 min)+artificial saliva (1 h, pH 7.0)+abrasion (120 linear strokes in artificial saliva from Oral B medium soft brushes 300 g loading]. The change in the enamel surface was evaluated using optical profilometry. RESULTS: Duraphat® and Bifluorid10® applications had a median (IQR) step height of 4.21 um (1.59) and 5.01 um (1.02). This was statistically significantly less than Fluor-Protector® 6.83 um (1.25), copal ether 7.22 um (1.97) and water 7.39 um (1.96) (p<0.001). For erosion-abrasion, both Duraphat® and Bifluorid® had statistically lower step heights than the other products (p<0.01). CONCLUSIONS: The action of fluoride in a range of single-application topical varnishes was effective in reducing enamel wear from erosion and erosion-abrasion in this laboratory study.

Approximal caries increment in adolescents in a low caries prevalence area in Sweden after a 3.5-year school-based fluoride varnish programme with Bifluorid 12 and Duraphat.

OBJECTIVES: To evaluate approximal caries increment among 12- to 16-year-olds in a low caries prevalence area in Sweden after a 3.5-year school-based fluoride (F) varnish programme with Bifluorid 12 and Duraphat. METHODS: The design was a RCT study with 1365 adolescents, divided into following four groups: Group 1 Bifluorid 12 two applications/year; Group 2 Duraphat two applications/year; Group 3 Bifluorid 12 four applications/year and Group 4 no F varnish at school. 1143 children (84%) completed the study. Approximal caries was registered on bitewing radiographs. RESULTS: There were no statistically significant differences in caries prevalence among the groups either at baseline or after 3.5 years . The caries increment for Group 1 was 1.34 ± 2.99 (mean ± SD), 1.24 ± 2.84 for Group 2, 1.07 ± 2.66 for Group 3 and 1.25 ± 2.75 for Group 4, with no statically significant differences either between Bifluorid 12 and Duraphat with the same frequency of F varnish applications or between the F groups and the control group. CONCLUSIONS: In an area with low caries prevalence in Sweden, the supplementary caries-preventive effect of school-based F varnish applications, to regular use of F toothpaste at home and to regular caries prevention given at the Public Dental Clinics, appears to be nonsignificant regarding approximal caries increment.

In vitro remineralizing effect of fluoride varnishes containing sodium trimetaphosphate.

This study analyzed the effects of fluoride varnishes supplemented with sodium trimetaphosphate (TMP) on the remineralization of caries-like lesions in vitro. Bovine enamel discs were selected through surface hardness (SH) and caries-like lesions were induced. SH was again determined and the blocks were divided into 7 experimental groups (n = 24/group): placebo (no fluoride or TMP), 5% TMP, 2.5% NaF, 2.5% NaF/5% TMP, 5% NaF, 5% NaF/5% TMP and commercial formulation (Duraphat™, 5% NaF), following a blind protocol. Discs were treated with the varnishes and kept in a remineralizing solution for 4 h and a demineralizing solution for 2 h. Varnishes were then removed and half of the discs were used for analysis of loosely (CaF2) and firmly bound fluoride. The remaining discs were submitted to a pH-cycling regimen for 6 days. The percentage of surface hardness recovery (%SHR), cross-sectional hardness (ΔKHN) and enamel CaF2 and fluoride were determined. Data were analyzed by ANOVA and by Student-Newman-Keuls' test (p < 0.05). A dose-response relationship was observed between fluoride concentrations in the varnishes and %SHR. The 5% TMP varnish led to %SHR similar to that obtained for the placebo. When TMP was used in association with fluoride, however, significantly higher %SHR were observed in comparison with their counterparts without TMP. Moreover, ΔKHN obtained for the 5% NaF/5% TMP was significantly lower among all groups tested. Higher concentrations of CaF2 and fluoride were observed for Duraphat and 5% NaF, followed by 5% NaF/5% TMP, 2.5% NaF and 2.5% NaF/5% TMP (p < 0.05). It was concluded that the supplementation of fluoride varnishes with TMP leads to enhanced remineralizing effect of artificial caries lesions in vitro.

In situ evaluation of a low fluoride concentration gel with sodium trimetaphosphate in enamel remineralization.

PURPOSE: To evaluate the capability of gels with low fluoride (F) concentration and supplemented with sodium trimetaphosphate (TMP) to promote in situ enamel remineralization. METHODS: Bovine enamel blocks were selected on the basis of their surface hardness after demineralization, and divided into five groups: gel without F or TMP (placebo); gel with 4,500 ppm F (4,500); gel with 4,500 ppm F + 5% TMP (4,500 5% TMP); gel with 9,000 ppm F (9,000) and gel with 12,300 ppm F (12,300). The study design was blind and cross-over: 12 subjects used palatal devices with four demineralized enamel blocks for 3 days, after topical fluoride application (TFA). Two blocks were removed immediately for analysis of the loosely bound fluoride (CaF2) and firmly bound fluoride (F) after TFA in enamel. In the remaining blocks, the percentage of surface hardness recovery (% SH), cross-sectional hardness (deltaKHN) and CaF2 and F were determined after remineralization. The results were subjected to ANOVA and Bonferroni tests (P < 0.05). RESULTS: The groups 4,500 5% TMP, 9,000, and 12,300 showed the best results with regard to % SH (P < 0.05). Lower deltaKHN values were observed in the 4,500 5% TMP and 12,300 gel groups (P < 0.05). Higher concentrations of CaF2 and F were observed in the 12,300 group, followed by the 4,500 5% TMP and 9,000 groups (P > 0.05). It was concluded that it is possible to promote enamel remineralization using gels with low fluoride concentration supplemented with TMP.

Topical laser application enhances enamel fluoride uptake and tribological properties.

Topical fluoride treatment prevents dental caries. However, the resulting calcium-fluoride-like deposits are soft and have poor wear resistance; therefore, frequent treatment is required. Lasers quickly heat surfaces and can be made portable and suitable for oral remedies. We examined the morphology, nanohardness, elastic modulus, nanowear, and fluoride uptake of fluoride-treated enamel followed by CO2 laser irradiation for 5 and 10 sec, respectively. We found that laser treatments significantly increased the mechanical properties of the calcium-fluoride-like deposits. The wear resistance of the calcium-fluoride-like deposits improved about 34% after laser irradiation for 5 sec and about 40% following irradiation for 10 sec. We also found that laser treatments increased fluoride uptake by at least 23%. Overall, laser treatment significantly improved fluoride incorporation into dental tissue and the wear resistance of the protective calcium-fluoride layer.

Influence of Er,Cr:YSGG laser on CaF2 -like products formation because of professional acidulated fluoride or to domestic dentifrice application.

This study evaluated the synergy of professional acidulated fluoride gel (APF) or fluoridated dentifrice application combined with Er,Cr:YSGG laser irradiation on the formation of CaF2 -like products (CaF2 ), in vitro. Thus, 272 bovine enamel slabs were randomly distributed among eight groups: G1: untreated enamel; G2: treated with fluoridated dentifrice (NaF, 1,100 µgF/g); G3: treated with acidulated phosphate fluoride gel (APF, 1.23% F(-) ); G4: irradiated with Er,Cr:YSGG laser at 8.5 J/cm(2) ; G5 and G6: combination of pre-irradiation with Er,Cr:YSGG followed by dentifrice or APF application, respectively; G7: combination of dentifrice application followed by Er,Cr:YSGG irradiation; G8: combination of APF application followed by Er,Cr:YSGG irradiation. After treatments, samples were evaluated by scanning electron microscopy, and the content of CaF2 was determined by an ion specific electrode. Both APF and dentifrice application promoted the formation of CaF2 on enamel, whereas Er,Cr:YSGG irradiation promoted an increase of roughness of the enamel, increasing the surface area. Laser irradiation before fluoridated products increased the content of CaF2 formed when compared to groups that APF or dentifrice were applied isolated. However, the content of CaF2 formed when irradiation was performed after APF or dentifrice was not statically significant when compared to the control groups. In conclusion, Er,Cr:YSGG laser increases the formation of CaF2 on enamel when the irradiation is performed before the application of APF or dentifrice. The association of laser with APF is most promissory for caries prevention because of the higher concentration of CaF2 formation and also the chemical changes promoted by laser irradiation demonstrated in literature.

Effects of fluoride on in vitro enamel demineralization analyzed by ¹9F MAS-NMR.

The mechanistic action of fluoride on inhibition of enamel demineralization was investigated using (19)F magic angle spinning nuclear magnetic resonance (MAS-NMR). The aim of this study was to monitor the fluoride-mineral phase formed on the enamel as a function of the concentration of fluoride ions [F(-)] in the demineralizing medium. The secondary aim was to investigate fluorapatite formation on enamel in the mechanism of fluoride anti-caries efficacy. Enamel blocks were immersed into demineralization solutions of 0.1 M acetic acid (pH 4) with increasing concentrations of fluoride up to 2,262 ppm. At and below 45 ppm [F(-)] in the solution, (19)F MAS-NMR showed fluoride-substituted apatite formation, and above 45 ppm, calcium fluoride (CaF2) formed in increasing proportions. Further increases in [F(-)] caused no further reduction in demineralization, but increased the proportion of CaF2 formed. Additionally, the combined effect of strontium and fluoride on enamel demineralization was also investigated using (19)F MAS-NMR. The presence of 43 ppm [Sr(2+)] in addition to 45 ppm [F(-)] increases the fraction of fluoride-substituted apatite, but delays formation of CaF2 when compared to the demineralization of enamel in fluoride-only solution.

Dose-response effects of zinc and fluoride on caries lesion remineralization.

The present mechanistic in vitro study aimed to investigate dose-response effects of zinc and fluoride on caries lesion remineralization and subsequent protection from demineralization. Artificial caries lesions were created using a methylcellulose acid gel system. Lesions were remineralized for 2 weeks using citrate-containing artificial saliva which was supplemented with zinc (0-153 µmol/l) and fluoride (1.1 or 52.6 µmol/l) in a 7 × 2 factorial design. Lesions were also remineralized in the absence of zinc and citrate, but in the presence of fluoride. After remineralization, all lesions were demineralized for 1 day under identical conditions. Changes in mineral distribution characteristics of caries lesions after remineralization and secondary demineralization were studied using transverse microradiography. At 1.1 µmol/l fluoride, zinc exhibited detrimental effects on remineralization in a dose-response manner and mainly by preventing remineralization near the lesion surface. At 52.6 µmol/l fluoride, zinc retarded remineralization only at the highest concentration tested. Zinc enhanced overall remineralization at 3.8-15.3 µmol/l. At 76.5 and less so at 153 µmol/l, zinc showed extensive remineralization of deeper parts within the lesions at the expense of remineralization near the surface. Citrate did not interfere with remineralization at 1.1 µmol/l fluoride, but enhanced remineralization at 52.6 µmol/l fluoride. Lesions exhibiting preferential remineralization in deeper parts showed higher mineral loss after secondary demineralization, suggesting the formation of more soluble mineral phases during remineralization. In summary, zinc and fluoride showed synergistic effects in enhancing lesion remineralization, however only at elevated fluoride concentrations.

Comparative evaluation of two commercially available desensitizing agents for the treatment of dentinal hypersensitivity.

AIMS: A randomized clinical trail was designed to compare the efficacy of two commercially available desensitizing agents (fluoride varnish containing 6% sodium fluoride and 6% calcium fluoride and a gel containing 6% potassium nitrate and 0.11% fluoride ions) in the treatment of dentinal hypersensitivity. SETTINGS AND DESIGN: Randomized clinical trial. MATERIALS AND METHODS: Twenty-one patients were selected. Subjects were evaluated using three different stimuli, i.e., tactile test, air blast test and cold water test. They were then randomly divided into two groups. Patients in group I were treated with fluoride varnish and group II patients were treated with gel containing 6% potassium nitrate and 0.11% fluoride ions. The patients were examined at baseline, immediately after application of the agent, at 1 week, 1 month and 3 months interval. STATISTICAL ANALYSIS: Statistical analysis was done using unpaired "t" test, paired "t" test and Chi-square test with Yate's correction. RESULTS: The results were analyzed; it was seen that patients treated in group I showed significantly better results compared to group II patients at 1 month and 3 months interval. Teeth which required repeat dose and those which did not require repeat dose were comparable in number. CONCLUSIONS: Both the agents showed significant reduction in sensitivity at all time intervals compared to baseline. A comparatively significant reduction in sensitivity score was seen in patients treated with fluoride varnish and it appeared to be more effective in providing long-term relief against all the three test stimuli. Teeth with initial high sensitivity score required repeat doses, which was comparable for both the groups.

Determination of fluorine in tea using high-resolution molecular absorption spectrometry with electrothermal vaporization of the calcium mono-fluoride CaF.

High-resolution continuum source molecular absorption of the calcium mono-fluoride molecule CaF in a graphite furnace has been used to determine fluorine in tea after acid digestion, alkaline solubilization and preparation of a conventional aqueous infusion. The strongest absorption 'line' of the CaF molecule is at 606.440 nm, which is part of the rotational fine structure of the X(2)Σ(+)-A(2)Π electronic transition; it has a bond dissociation energy of 529 kJ mol(-1), which is comparable with other molecules used for fluorine determination. One advantage of using Ca as the molecule-forming reagent is that spectral interferences are extremely unlikely in the spectral range of its strongest absorption. Another advantage is that Ca acts both as molecule forming reagent and chemical modifier, so that no other reagent has to be added, making the method very simple. The only disadvantage is that Ca has a somewhat negative influence on the graphite tube lifetime. The limit of detection was found to be 0.16 mg L(-1) F, corresponding to 1.6 ng F absolute, and the calibration curve was linear in the range between 0.5 and 25 mg L(-1) with a correlation coefficient of R=0.9994. The results obtained for a certified tea reference material were in agreement with the certified value on a 95% confidence level. There was also no difference between the results obtained after an acid digestion and an alkaline solubilization for 10 tea samples, based on a paired t-test. The values found in the 10 samples ranged between 42 µg g(-1) and 87 µg g(-1) F; the tea infusions contained between 21 µg g(-1) and 56 µg g(-1) F, with an extraction rate between 48% and 74%.

Machinable glass-ceramics forming as a restorative dental material.

MgO, SiO(2), Al(2)O(3), MgF(2), CaF(2), CaCO(3), SrCO(3), and P(2)O(5) were used to prepare glass-ceramics for restorative dental materials. Thermal properties, phases, microstructures and hardness were characterized by DTA, XRD, SEM and Vickers microhardness. Three-point bending strength and fracture toughness were applied by UTM according to ISO 6872: 1997(E). XRD showed that the glass crystallized at 892°C (second crystallization temperature+20°C) for 3 hrs consisted mainly of calcium-mica and fluorapatite crystalline phases. Average hardness (3.70 GPa) closely matched human enamel (3.20 GPa). The higher fracture toughness (2.04 MPa√m) combined with the hardness to give a lower brittleness index (1.81 µm(-1/2)) which indicates that they have exceptional machinability. Bending strength results (176.61 MPa) were analyzed by Weibull analysis to determine modulus value (m=17.80). Machinability of the calcium mica-fluorapatite glass-ceramic was demonstrated by fabricating with CAD/CAM.

Prevention of erosive/abrasive enamel wear due to orange juice modified with dietary supplements.

OBJECTIVE: The aim of this study was to evaluate the erosive/abrasive enamel wear after contact with orange juices modified with different dietary supplements. METHODS: A total of 96 bovine enamel samples were prepared and allocated to eight groups (1-8; n = 12). Samples were eroded (120 s) in 200 ml of the following eight solutions: 1: water (control), 2: orange juice, 3: water + calcium effervescent tablet, 4: orange juice + calcium effervescent tablet, 5: water + 0.75 g acid/base regulating powder (Probase), 6: water + 0.375 g Probase, 7: orange juice + 0.75 g Probase and 8: orange juice + 0.375 g Probase. After erosion, the samples were brushed with 40 brushing strokes (load 2.5 N). Enamel wear was measured using surface profilometry after 20 and 40 cycles of erosion/abrasion respectively. RESULTS: Highest mean enamel wear (± SD) after 20 and 40 cycles of erosion/abrasion was observed for the unmodified orange juice (group 2) (0.605 ± 0.240 µm; 1.375 ± 0.496 µm respectively). The enamel wear in all other groups (3-8) was significantly lower (P < 0.0001 respectively) with no significant difference within these groups and compared with water (control). CONCLUSION: Erosive/abrasive enamel wear induces by orange juice and tooth brushing could be reduced significantly by modification with free available dietary supplements.

Nanoscale precipitation coating: the deposition of inorganic films through step-by-step spray-assembly.

Thin films and surface coatings play an important role in basic and applied research. Here we report on a new, versatile, and simple method ("precipitation coating") for the preparation of inorganic films, based on the alternate spraying of complementary inorganic salt solutions against a receiving surface on which the inorganic deposit forms. The method applies whenever the solubility of the deposited material is smaller than that of the salts in the solutions of the reactants. The film thickness is controlled from nanometers to hundreds of micrometers simply by varying the number of spraying steps; 200 spray cycles, corresponding to less than 15 min deposition time, yield films with thicknesses exceeding one micrometer and reaching tens of micrometers in some cases. The new solution-based process is also compatible with conventional layer-by-layer assembly and permits the fabrication of multimaterial sandwich-like coatings.

Investigation of the spin-Hamiltonian parameters for the trigonal U5+ center in CaF2 crystal.

The spin-Hamiltonian parameters (g factor g(//), g(perpendicular) and hyperfine structure constants A(//), A(perpendicular)) of the trigonal U(5+) center in CaF(2) crystal have been calculated from the complete diagonalization (of energy matrix) method (CDM) for 5f(1) ions in trigonal crystal field and under an external magnetic field. In the calculation, the crystal-field parameters are estimated from the superposition model. From the calculations, these spin-Hamiltonian parameters are reasonably explained, and the defect model (i.e., the trigonal U(5+) center is attributed to U(5+) substituting for Ca(2+) in CaF(2) with six F(-) ions replaced by O(2-) and the other two F(-) sites vacant because of charge compensation) given in the previous paper is confirmed. The results are discussed.

Quantitative structure-property relationships of potentially bioactive fluoro phospho-silicate glasses.

In this work, the glass transition temperature and chemical durability of bioactive phospho-silicate glasses were experimentally determined and correlated to the structural descriptor Fnet derived from classical molecular dynamics simulations. The replacement of CaF2 for Na2O in the parent glass 45S5 enhances both chemical durability and density, while the replacement of CaF2 for CaO lowers chemical durability. The proposed descriptor, Fnet, provides satisfactorily correlations with glass transition temperature and chemical durability over a wide range of compositions.