Bleeding on probing around dental implants: a retrospective study of associated factors.

AIM: To (i) identify factors associated with the probability of a peri-implant site to be positive to bleeding on probing (BoP+) and (ii) compare BoP+ probability around dental implants and contra-lateral teeth. METHODS: In 112 patients, data related to 1725 peri-implant sites and 1020 contra-lateral dental sites were retrospectively obtained. To analyse the association between patient-, implant- and site-related factors and BoP+ probability, a logistic, three-level model was built with BoP as the binary outcome variable (+/-). RESULTS: BoP+ probability for a peri-implant site with probing depth (PD) of 4 mm was 27%, and the odds ratio increased by 1.6 for each 1-mm increment in PD (p < 0.001). Also, BoP+ probability was higher in females compared to males (OR = 1.61; p = 0.048), and lower at posterior compared to anterior dental implants (OR = 0.55; p < 0.01). No significant difference in BoP+ probability was observed between peri-implant and contra-lateral dental sites when controlling for the difference in PD. CONCLUSIONS: The probability of a peri-implant site to bleed upon probing is (i) associated with PD, implant position and gender, and (ii) similar to that observed at contra-lateral dental sites when controlling for the effect of PD.

A theoretical and NMR lanthanide-induced shift (LIS) investigation of the conformations of lactams.

Molecular mechanics (MM) with MMFF94 and MMX force fields and ab initio (RHF/6-31G*,RHF/6-311G**, and B3LYP/6-311G**) calculations are used with lanthanide-induced shift (LIS) to investigate the conformations of N-methyl-2-pyrrolidone 1, N-methyl-2-piperidone 2, ε-caprolactam 3, γ-valerolactam (1,5-dimethyl-2-pyrrolidone) 4, 2-azetidinone 5, 4-methyl azetidinone 6, 4-phenyl azetidinone 7, and N-methyl-4-phenyl azetidinone 8. The Yb(fod)3 paramagnetic induced shifts of all the 1 H and 13 C nuclei are measured and the corresponding diamagnetic complexation shifts obtained by the addition of Lu(fod)3 . The complexation model (two-, three-, or four-site) used depends on the relative rates of the processes involved. The amide inversion is the same order as that of the 5- and 6-membered lactam rings and much faster than the lanthanide complexation and the inversion of the 7-membered ring. Both MM and ab initio calculations give an envelope conformation for 1 with C-4 out of the ring plane in agreement with the LIS analysis. For the piperidone ring of 2, the half-chair is calculated as the most stable form. The LIS analysis confirms this but cannot exclude a small amount (<2%) of the boat conformation. For 3, the LIS analysis gives a minimum for 90:10% chair to boat conformation, and 4 exists in two envelope conformations with the C5 -Me ps-eq and ps-ax in an eq/ax ratio of 94:6%. In 2-azetidinone 5, the ab initio calculations gave both ring and nitrogen planar, but the MMFF94 calculations give a butterfly ring and pyramidal nitrogen. The LIS analysis for 5 gave good agreement (Rcryst 0.46%) for the MMFF94 geometry with endo NH but the planar ab initio geometries worse agreement (Rcryst = 1.1%). For 4-methyl-2-azetidinone 6, the MMFF94 geometry gave good agreement (Rcryst 0.96%) with two butterfly conformations with axial and equatorial methyl groups in 1:1 ratio. All the planar geometries gave worse agreement (Rcryst >1.5%). In 4-phenyl azetidinone 7, the MMFF94 geometry with 60% of the axial conformer gave Rcryst 1.2% but the other geometries Rcryst >1.5%. In contrast the N-methyl-4-phenyl-2-azetidinone 8 gave good agreement for all the geometries. The butterfly conformation gave Rcryst 1.1% for 80% of the axial conformer and the planar geometries Rcryst 0.98%. The LIS results confirm the ab initio and MM optimised geometries, but the conformer energies at times differ from the calculated values. They also differ considerably from the corresponding values for the lactones studied previously, and possible reasons for this are discussed.

Conformational analysis, part 43. A theoretical and LIS/NMR investigation of the conformations of substituted benzamides.

A refined Lanthanide-Induced-Shift Analysis (LISA) is used with molecular mechanics and ab initio calculations to investigate the conformations of benzamide (1), N-methylbenzamide (2), N,N-dimethylbenzamide (3) and the conformational equilibria of 2-fluoro (4), 2-chloro (5) and N-methyl-2-methoxy benzamide (6). The amino group in 1 is planar in the crystal but is calculated to be pyramidal with the CO/phenyl torsional angle (ω) of 20-25°. The LISA analysis gave acceptable agreement factors (Rcryst ≤ 1%) for the ab initio geometries when ω was decreased to 0°, the other geometries were not as good. In 2, the N-methyl is coplanar with the carbonyl group in all the geometries. Good agreement was obtained for the RHF geometries, with ω 25°, the other geometries were only acceptable with increased values of ω. In 3, good agreement for the RHF and PCModel geometries was found when ω was changed from the calculated values of 40° (RHF) and 90° (PCModel) to ca. 60°, the X-ray and B3LYP geometries were not as good. The two substituted compounds 4, 5 and 6 are interconverting between the cis (O,X) and trans (O,X) conformers. The more stable trans conformer is planar in 4 and 6 but the cis form non-planar. Both the cis and trans conformers of 5 are non-planar. There is an additional degree of freedom in 6 due to the 2-methoxy group, which can be either planar or orthogonal to the phenyl ring in both conformers. The conformer ratios were obtained from the LISA analysis to give Ecis-Etrans in 4 > 2.3 kcal/mol (CDCl3 ) and 1.7 kcal/mol (CD3 CN), in 5 0.0 kcal/mol (CD3 CN) and in 6 > 2.5 kcal/mol (CDCl3 ) and 2.0 kcal/mol (CD3 CN). These values were used with the observed versus calculated (1) H shifts to determine the conformer ratios and energies in DMSO solvent to give Ecis-Etrans 1.1, -0.1 and 1.8 kcal/mol for (4), (5) and (6). Comparison of the observed versus calculated conformer energies show that both the MM and ab initio calculations overestimate the NH..F hydrogen bond in (4) by ca. 2 kcal/mol.

Effects of serotonergic psychedelics on mitochondria: Transdiagnostic implications for mitochondria-related pathologies.

The use of serotonergic psychedelics has gained increasing attention in research, clinical practice and society. Growing evidence suggests fast-acting, transdiagnostic health benefits of these 5-hydroxytryptamine 2A receptor agonists. Here, we provide a brief overview of their benefits for psychological, cardiovascular, metabolic, neurodegenerative, and immunological pathologies. We then review their effect on mitochondria including mitochondrial biogenesis, functioning and transport. Mitochondrial dysregulation is a transdiagnostic mechanism that contributes to the aforementioned pathologies. Hence, we postulate that psychedelic-induced effects on mitochondria partially underlie their transdiagnostic benefits. Based on this assumption, we propose new treatment indications for psychedelics and that the health benefits induced by psychedelics depend on patient-specific mitochondrial dysregulation.

The Link Between Energy-Related Sensations and Metabolism: Implications for Treating Fatigue.

Energy-related sensations include sensation of energy and fatigue as well as subjective energizability and fatigability. First, we introduce interdisciplinary useful definitions of all constructs and review findings regarding the question of whether sensations of fatigue and energy are two separate constructs or two ends of a single dimension. Second, we describe different components of the bodily energy metabolism system (e.g., mitochondria; autonomic nervous system). Third, we review the link between sensation of fatigue and different components of energy metabolism. Finally, we present an overview of different treatments shown to affect both energy-related sensations and metabolism before outlining future research perspectives.

Monitoring of a micro-smart grid: Power consumption data of some machineries of an agro-industrial test site.

For the management of a (micro)-smart grid it is important to know the patters of the load profiles and of the generators. In this article the power consumption data obtained through a monitoring activity developed on a micro-smart grid in an agro-industrial test-site are presented. In particular, this reports the synthesis of the monitoring results of 5 loads (5 industrial machineries for crop micronization, corncob crashing and other similar processes). How these data were used within a monitoring and managing scheme of a micro-smart grid can be found in (E. Fabrizio, V. Branciforti, A. Costantino, M. Filippi, S. Barbero, G. Tecco, P. Mollo, A. Molino, 2017) [1]. The data can be useful for other researchers in order to create benchmarks of energy use input appropriate energy demand values in optimization tools for the industrial sector.