Search results for "Opera"

Solute-induced Water Structure: Computer Simulation on a Model System

1988

Abstract Two series of Monte Carlo simulations have been carried out on a system consisting of 125 water molecules, one of which is kept fixed to simulate a water molecule whose mobility is restricted by a solute. The results are checked against similar simulations without restrictions, used as a control, and they show how the blocked molecule helps increase both the structural order and the connectivity of the hydrogen bond network. Cooperativity originating from proton polarizability of H-bonds and/or from many-body terms of interaction potentials cannot be involved since we use a rigid water model and ab initio pair potentials. The present findings are interpreted as indicative of a moti…

Synthesis, characterization and X-ray crystal structures of cyclam derivatives. 7. Hydrogen-bond induced allosteric effects and protonation cooperati…

2005

The unprecedented cooperative protonation properties displayed by a barrel-shaped macrotricyclic tetraamine incorporating two 14-membered bisamide rings maintained in a face-to-face arrangement is rationalized in terms of allosteric effects upon binding of the first and third protons.

Mn3+ in garnets III. Absence of Jahn-Teller distorition in synthetic Mn3+-bearing garnet

1985

The crystal structure of a ternary Mn3+-bearing garnet, close to the composition Gross34 Spess26 CaMnGt40 has been refined to a weighted R-value of 0.051 for 440 unique reflections. The lattice constant is 11.867(1) A, fractional atomic parameters for oxygen are x=0.0374 (2), y=0.0470 (2), and z=0.6532 (2). Refinement of site occupancies gave 0.81 (3) Ca+0.19 (3) Mn2+ in the eight coordinated site 24c and 0.64 (2) Al+0.36 (2) Mn3+ in the octahedral site 16a. No deviation from the cubic space group Ia3d has been observed, the Mn3+-bearing YO6 octahedron is nearly regular. Thus, the presence of the 3d 4-configurated ion Mn3+ does not cause Jahn-Teller distortion in this garnet structure.

Synthesis, structure and biological properties of several binary and ternary complexes of copper(II) with ciprofloxacin and 1,10 phenanthroline

2009

In this study, a new binary complex [Cu(HCip) 2 ](NO 3 ) 2  · 6H 2 O ( 1 ) has been synthesized and then characterized by X-ray structure analyses. In this compound, each ciprofloxacin acts as a bidentate ligand resulting in a crystallographically planar configuration; the nitrate anions are located in apical positions with an axial distance significantly larger than the equatorial distances, which would be consistent with a very weak metal ion interaction due to the Jahn–Teller effect. In addition, both the synthesis and characterization of two new ternary complexes of ciprofloxacin–copper(II)–1,10-phenanthroline, [Cu(phen)(Cip)](NO 3 ) · 4H 2 O ( 2 ) and Cu(phen)(HCip)(NO 3 ) 2  · H 2 O (…

Hf27Si6P10, a novel metal-rich compound with P2 groups

2000

The new ternary metal rich compound Hf27Si6P10 has been synthesized by reduction of HfP with Hf and Si; Hf27Si6P10 crystallizes in a new structure type, a characteristic and unexpected feature of which is the presence of P2 groups; the structural results are interpreted with the aid of high-level band structure calculations.

Comparative cytotoxicity evaluation of eight root canal sealers

2017

Background The aim of the present study is to evaluate and compare the cytotoxic effects of eight root canal sealers (BioRoot RCS, TotalFill BC Sealer, MTA Fillapex, Sealapex, AH Plus, EasySeal, Pulp Canal Sealer, N2) on immortalized human gingival fibroblasts over a period of 24, 48 and 72 hours. Material and Methods Immortalized human gingival fibroblast-1 HGF-1 (ATCC CRL-2014) were incubated. Root canal sealers were then placed into sterile, cylindrical Teflon moulds. The extraction was made eluting the sealers in cell culture medium. Cells (1 × 104) were seeded in each well of a 96-well plate and incubated for 24 h at 37°C. Cultures were then exposed to 100 μL of the extracts medium. Th…

Intensity-modulated extended-field chemoradiation plus simultaneous integrated boost in the pre-operative treatment of locally advanced cervical canc…

2015

Objective: To investigate the feasibility and determine the recommended pre-operative intensity-modulated radiotherapy (IMRT) dose of extended-field chemoradiation along with simultaneous integrated boost (SIB) dose escalation. Methods: A radiation dose of 40Gy over 4 weeks, 2Gy/fraction, was delivered to the tumour and the lymphatic drainage (planning target volume, PTV3), which encompassed a volume larger than standard (common iliac lymphatic area up to its apex, in front of the L3 vertebra), concurrently with chemotherapy (cisplatin and 5-fluorouracil). Radiation dose was escalated to the pelvis (PTV2) and to the macroscopic disease (PTV1) with the SIB-IMRT strategy. Three dose levels we…

Use of bone scintigraphy in the early diagnosis of bisphosphonate related osteonecrosis of the jaw. Case report and review of the literature

2018

The main aim of the present report is to show the potential utility of bone scintigraphy for the diagnosis of jaw osteonecrosis. We report the history of a 62-year-old woman underwent breast cancer surgery in 2010. Moreover, patient received postoperative radiotherapy and chemotherapy. Intravenous bisphosphonates were also added to the treatment strategy to reduce the risk of bone metastasis. However, a hypermetabolic focus on left hemimandible was evidenced with a bone scintigraphy during follow up. After a careful study, the diagnosis of Bisphosphonate Related Ostneonecrosis of the Jaw (BRONJ) was carried out. This case highlights that bone scintigraphy may be extremely helpful for the ea…

Prophylaxe und Behandlung der postoperativen Übelkeit und des postoperativen Erbrechens mit Tropisetron

1997

Child abuse/neglect risk assessment under field practice conditions: Tests of external and temporal validity and comparison with heart disease predic…

2015

AbstractObjectives (1) Identify validation design and accuracy assessment standards for medical prognostic models applicable to evaluation of child abuse/neglect (CA/N) risk assessment models. (2) Assess the accuracy of the California Family Risk Assessment (CFRA) in predicting CA/N using the foregoing standards. (3) Compare the prediction accuracy of the CFRA with the prediction accuracy of coronary heart disease (CHD) prediction models. Questions addressed (1) What validation design and accuracy assessment standards are used to evaluate medical prognostic models? (2) What is the evidence for the accuracy of the CFRA using those standards? (3) How does the accuracy of the CFRA in predictin…