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Biomedical subjects

S Grilli

Publications and source records attributed to S Grilli.

At least 19 recordsLinked to original sources
PubMed2006

Phase-shifting point-diffraction interferometer developed by using the electro-optic effect in ferroelectric crystals.

A novel and simple phase-shifting point-diffraction interferometer using a z-cut lithium niobate wafer is proposed. The pinhole is realized by an optical lithography process, aluminum deposition, and subsequent lift-off on the surface of the wafer. The phase shifting is obtained by inducing the electro-optic effect along the z crystal axis. We demonstrate experimentally the possibility of retrieving an aberrated wavefront.

Journal Article↗
PubMed2005

Recovering correct phase information in multiwavelength digital holographic microscopy by compensation for chromatic aberrations.

We demonstrate experimentally that correct phase imaging without 2pi ambiguity is obtainable in digital holography by using a multiwavelength approach in the microscope configuration. We describe a general approach for removing chromatic aberrations and for controlling the pixel size of the reconstructed phase image in multiwavelength digital holography when the Fourier transform method is adopted for the numerical reconstruction of digital holograms. The retrieved phase is affected by the unavoidable, unwanted chromatic aberration. The correct phase can be obtained by evaluating the phase from the reference holograms reconstructed at different wavelengths to compensate for the chromatic aberration.

Algorithms↗
PubMed2005

Two-dimensional mapping of electro-optic phase retardation in lithium niobate crystals by digital holography.

We demonstrate accurate two-dimensional mapping of the phase retardation induced by the electro-optic effect in lithium niobate crystals. Off-axis digital holography is used to investigate congruent z-cut crystals. The spatially resolved optical path difference is interferometrically measured while a linearly rising voltage ramp is applied to the crystal. This procedure provides information on the uniformity of crystals' electro-optic properties and offers the ability to detect the presence of defects that is of fundamental importance for reliable processing of photonic devices.

Journal Article↗
PubMed2002

Soft sensors for control of nitrogen and phosphorus removal from wastewaters by neural networks.

In this paper, we describe the results of research aimed to evaluate the possibility of using a neural network (NN) model for predicting biological nitrogen and phosphorus removal processes in activated sludge, utilising oxidation reduction potential (ORP) and pH as NN inputs. Based on N and P concentrations predictions obtained via the NN, a strategy for controlling sequencing batch reactors (SBRs) phases duration, optimising pollutants removal and saving energy, is proposed. The NN model allowed us to reproduce the concentration trends (change in slope, or process end), with satisfactory accuracy. The NN results were generally in good agreement with the experimental data. These results demonstrated that NN models can be used as "soft on-line sensors" for controlling biological processes in SBRs. By monitoring ORP and pH, it is possible to recognise the N and P concentrations during different SBRs phases and, consequently, to identify the end of the biological nutrient removal processes. This information can then be used to design control systems.

Hydrogen-Ion Concentration↗
PubMed2001

Conformational studies by dynamic NMR. 84.(1) structure, conformation, and stereodynamics of the atropisomers of N-aryl-tetrahydropyrimidines.

The existence of stereolabile atropisomers for a number of N-aryl-tetrahydropyrimidines in solution has been deduced from the observation of the anisochronous NMR signals of prochiral methylene groups. The interconversion barriers for these atropisomers have been measured by line shape analysis of dynamic NMR spectra at various temperatures: a Molecular Mechanics modeling resulted in good agreement with these values. In an appropriate case, distinct NMR signals for the two enantiomeric forms could be observed at ambient temperature in a chiral environment. Evidence was also obtained for an exchange process occurring between two conformers experiencing a very biased equilibrium. Single-crystal X-ray diffraction of one such compound yielded a molecular structure in good agreement with the results obtained by ab initio calculations.

Anti-Infective Agents↗
PubMed2001

Conformational studies by dynamic NMR. 83. Correlated enantiomerization pathways for the stereolabile propeller antipodes of dimesityl substituted ethanol and ethers.

Below -100 degrees C, the NMR spectra of dimesityl derivatives of ethanol and of various ethers reveal how these molecules exist as M and P propeller-like stereolabile enantiomers, owing to the restricted rotation about the Ar-C bond. Single-crystal X-ray diffraction of one such derivative confirmed the existence of a two-blade propeller structure. Computer analysis of the NMR line shape allowed the barriers for the enantiomerization process to be determined. Theoretical modeling (Molecular Mechanics) of the interconversion circuit produced good agreement between the computed and experimental barrier for a correlated dynamic process where a disrotatory one-ring flip pathway reverses the helicity of the conformational enantiomers. Introduction of a configurationally stable chiral center allowed two distinct NMR spectra to be detected at appropriate low temperature for two stereolabile diastereoisomers.

Journal Article↗
PubMed2001

Conformational studies by dynamic NMR. 80.(1) cog-wheel effect in the stereolabile helical enantiomers of dimesityl sulfoxide and sulfone.

The (1)H NMR solution spectra of the title compounds display anisochronous lines for the o-methyl substituents below -170 degrees C, due to the existence of two propeller-like M and P conformational enantiomers. The free energies of activation for the interconversion were determined to be 4.5 and 5.0 kcal mol(-)(1), respectively, for dimesityl sulfoxide and dimesityl sulfone. Molecular mechanics calculations indicate that the enantiomerization process occurs via a correlated rotation (cog-wheel effect) entailing a one-ring flip (gear-meshing) pathway. (13)C NMR (CP-MAS) spectra and X-ray diffraction show that these helical enantiomers are stable in the crystalline state.

Journal Article↗
PubMed2001

Conformational studies by dynamic NMR. 79. Dimesityl sulfine revisited: detection of the helical antipodes and determination of their enantiomerization pathways.

By means of low-temperature NMR spectra, it is demonstrated that dimesityl sulfine (Mes2C=SO) adopts in solution the same chiral propeller conformation (C1 symmetry) determined by X-ray diffraction in the crystalline state. With the help of MM calculations, it has been also shown that a correlated rotation (cog wheel effect) of the two mesityl rings reverses the molecular helicity according to an enantiomerization process entailing a one-ring flip pathway with delta G++ = 5.9 kcal mol-1 and a two-ring flip pathway with delta G++ = 13.8 kcal mol-1. On the contrary the Z- and E-isomers of mesityl phenyl sulfine (MesPhC=SO) adopt essentially achiral conformations (Cs symmetry), having the Ph-CSO rotation barriers equal to 5.2 and 5.8 kcal mol-1, respectively, and the mesityl-CSO rotation barriers equal to 21.3 and 15.1 kcal mol-1, respectively.

Journal Article↗
PubMed2001

Conformational studies by dynamic NMR. 78. Stereomutation of the helical enantiomers of trigonal carbon diaryl-substituted compounds: dimesitylketone, dimesitylthioketone, and dimesitylethylene.

The free energies of activation for the enantiomerization of the title compounds (Mes2C = X, Mes = 2,4,6-trimethylphenyl) were determined by dynamic NMR to be 4.6, 6.5, and 9.2 kcal mol-1 for X = O, S, and CH2, respectively. Single-crystal X-ray diffraction showed that the structure of dimesitylketone is that of a propeller (C2 symmetry) with the mesityl rings twisted by 50 degrees with respect to the plane of carbonyl. The same structure was predicted by molecular mechanics calculations, which also produced good agreement between computed and experimental barriers for a dynamic process where a disrotatory one-ring flip pathway reverses the helicity of the conformational enantiomers. Solid-state NMR spectra indicated that the enantiomerization barrier in the crystal must be much higher (at least 19 kcal mol-1) than that in solution. Contrary to the case of dimesitylketone, the calculated barrier of dimesitylethylene agrees better with the experimental value if the enantiomerization process is assumed to be a conrotatory two-ring flip pathway.

Journal Article↗
PubMed1997

A database for evaluating the toxicological risk of pesticides.

This study of Overtox-DB, a computerized database for managing chemical toxicity data, is a product of the application of typical methodologies regarding information science and computer technology. The methodology applied can be reduced to three-basic elements: the collection of requirements, design, and achievement. Overtox-DB was developed by defining technological elements for managing data and its structure and by identifing the procedures and methodologies for data storage, retrieval, distribution, and standardization of many kinds of test data stored in the same format. The program stores data about chemical identification, physical and chemical properties, toxicological tests, mutagenicity, teratogenicity, carcinogenicity, and a bibliography of chemical compounds. Overtox-DB consists of five modules: experimental and bibliographic, data collection, molecular data collection, data search, and data report. The Overtox-DB user responds to a simplified set of query commands and boolean operators that interact with the system to retrieve different toxicological data (the majority of fields are defined as search fields and identify the test system, results of the assays, administration route, dose, etc.). The collected information provides an analytical characterization of biological activities for many compounds and identifies evidence possibly lacking in experimental approaches. Indeed, this database could permit a comparative evaluation with other substances and can be used for structure-activity relationship studies.

Database Management Systems↗
PubMed1996

Cytotoxic activity and transformation of BALB/c 3T3 cells in vitro by the insecticide acephate.

Cytotoxic and cell transforming activity of the organophosphate insecticide acephate have been studied in an in vitro experimental model which foresees the exposure of BALB/c 3T3 cells to the chemical. The assay was performed in the presence or absence of metabolic activation system derived from phenobarbital and beta-naphthoflavone induced rats (S9-mix). Cytotoxicity of acephate was unaffected by the presence of the metabolizing fraction. Cell-transforming potential, evidenced through the induction of transformation foci, was observed at all tested doses (i.e. 100, 200 and 400 micrograms/ml) with or without exogenous bioactivation. This activity was related with cell proliferation since it was particularly evident in a level-II cell-transformation assay when the cells were allowed to perform active proliferative activity. These findings, obtained in a medium-term (6-8 weeks) test, may contribute to a better understanding of the action of acephate in the multistep carcinogenesis, proving more information on the oncogenic risk to humans.

3T3 Cells↗
PubMed1996

Enhancement of BALB/c 3T3 cells transformation by 1,2-dibromoethane promoting effect.

Two of the most representative halogenated aliphatic hydrocarbons, 1,2-dibromoethane and 1,1,2,2-tetrachloroethane, were tested in the two-stage cell transformation model for analysing the promoting ability. Both of these compounds had previously been found to exert genotoxic effects, probably acting as moderate initiators. BALB/c 3T3 cells were initiated with subtransforming doses of N-methyl-N-nitro-N-nitrosoguanidine or 3-methylcholanthrene and then exposed to a chronic treatment with different non-transforming dosages of the two haloalkanes. 1,1,2,2-Tetrachloroethane did not exert any promoting activity in that system. By contrast, significant promoting effects by 1,2-dibromoethane were observed both in cells treated with N-methyl-N-nitro-N-nitrosoguanidine and in cells treated with 3-methylcholanthrene. Promotion of the transformation process initiated with 3-methylcholanthrene was detectable when confluent cells in the chemical-treated plates were replated in the level-II amplification test. This experimental procedure allowed cells to perform further rounds of replications and transformed foci to became detectable. Results gave evidence for a promoting role of 1,2-dibromoethane in multistep carcinogenesis, probably responsible for the higher oncogenic ability of this compound with respect to 1,1,2,2-tetrachloroethane.

3T3 Cells↗
PubMed1995

In vitro transforming effect of the fungicides metalaxyl and zineb.

The cytotoxic effects and the transforming properties of two fungicides, metalaxyl and zineb, whose mutagenic or carcinogenic activity has not been clarified yet, were analyzed in the in vitro BALB/c 3T3 cell transformation test both in the presence and in the absence of an exogenous metabolizing system. Zineb was completely detoxified when the exogenous metabolizing system was added to the target cells to increase their inherent metabolic capacity. Metalaxyl induced cell transformation at any assayed dosage, i.e., 500, 250, and 50 micrograms/ml, in the presence of bioactivation, and at the highest dosage (500 micrograms/ml) in the absence of bioactivation. The transforming effect was detectable only in the level-II transformation cultures and it was likely linked to the induction of additional cell proliferation which allowed obtaining the transformation amplification in these experimental conditions.

3T3 Cells↗
PubMed1995

Lack of significant promoting activity by benzene in the rat liver model of carcinogenesis.

The promoting activity of benzene on rat liver carcinogenesis was investigated. The chemical was tested for its ability to enhance the growth of preneoplastic foci, as detected by gamma-glutamyl transpeptidase (GGT) staining in diethylnitrosamine (DENA) initiated hepatocytes. Two weeks after receiving a single ip dose of 200 mg/kg DENA, F344 rats were given daily oral doses of 400 mg/kg benzene (5 d/wk) for 6 wk. At wk 3 after the experiment began, all animals underwent partial hepatectomy, and at wk 8 were sacrificed. Following benzene treatment, no variation in the liver/body weight ratio was observed. After scoring of foci in liver slides, no significant difference in foci number and area could be observed between rats treated with DENA plus benzene and rats treated with DENA alone. Practically no foci were observed in the liver of rats treated only with benzene. The lack of benzene promoting activity in the liver model is discussed.

Animals↗
PubMed1995

Transformation of BALB/c 3T3 cells in vitro by the fungicides captan, captafol and folpet.

Cytotoxic and cell-transforming activities of the three fungicides, captan, captafol and folpet, have been studied in an experimental in vitro model by exposing BALB/c 3T3 cells to the chemicals with or without S-9 mix-induced bioactivation. Cytotoxicity of the three compounds was reduced in the presence of the metabolizing system. Each assayed pesticide displayed cell-transforming ability in the presence of the metabolizing system. The relative efficiency was: captafol > captan > folpet. Cell transformation was considered to be due to carcinogenesis-promoting activity. These data, obtained in a medium-term (6-8 weeks) experimental model, contribute to a better understanding of the action of the three pesticides in the multistep carcinogenesis process and provide more information concerning the oncogenic risk of these xenobiotic compounds for humans.

3T3 Cells↗
PubMed1995

1,2-Dibromoethane as an initiating agent for cell transformation.

The two-stage transformation assay increases the sensitivity of cells to chemicals and permits detection of carcinogens acting as initiating agents. 1,2-Dibromoethane, a representative halogenated aliphatic, has been tested in the two-stage BALB/c 3T3 cells transformation test at dosage from 16 microM to 128 microM. This dose range is much lower than those previously found efficient in transforming BALB/c 3T3 cells. Apart from the lowest dose, which induced borderline effects, all the other assayed dosages appeared to induce heritable changes in the target cells. The initiated cells were revealed as fully transformed foci both in the combination with a chronic promoting treatment and also by allowing cells to perform more rounds of cell replication. The results clearly show that 1,2-dibromoethane can act as an initiator of cell transformation.

3T3 Cells↗