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R Notario

Publications and source records attributed to R Notario.

At least 19 recordsLinked to original sources
PubMed2005

Nature of bonding in the cyclization reactions of (2-Ethynylphenyl)triazene and 2-Ethynylstyrene.

The topological analysis of the electron localization function (ELF) has been applied to explore the nature of bonding in thermal cyclizations of (2-ethynylphenyl)triazene and 2-ethynylstyrene. These processes have been proposed to occur through both five- (i.e., coarctate) and six-membered (i.e., pericyclic) transition states. The analysis of electron delocalization, as measured from an irreducible ELF f-localization domain reduction diagram, allows us to characterize these cyclizations of 2-ethynylstyrene in terms of a more pronounced pericyclic or coarctate character than those associated with (2-ethynylphenyl)triazene. The latter evolve through pseudopericyclic and pseudocoarctate pathways. It is found that ELF results are also in good agreement with recent magnetic evidence data obtained from the anisotropy of induced current density (ACID) calculations.

Journal Article↗
PubMed2001

Calorimetric and computational study of 1,3,5-trithiane.

To understand the differences in conformational behavior and reactivity of oxygen- and sulfur-containing 1,3,5-heterocyclohexanes, the enthalpies of formation and sublimation of 1,3,5-trithiane, 1, have been measured. The numerical value of the enthalpy of formation for this compound in the solid state is -8.6 +/- 2.6 kJ mol(-1), while the corresponding value in the gaseous state is 84.6 +/- 2.6 kJ mol(-1). The value for the enthalpy of sublimation is 93.2 +/- 0.2 kJ mol(-1). Standard ab initio molecular orbital calculations at the G2(MP2), G2, and G3 levels were performed, and the calculated enthalpies of formation are compared with the experimental data. These experimental and theoretical studies support the relevance of through-space lone pair-lone pair electronic repulsion in the sulfur heterocycle.

Journal Article↗
PubMed2001

Influence of alkyl substitution on the gas-phase stability of 1-adamantyl cation and on the solvent effects in the solvolysis of 1-bromoadamantane.

1-Adamantyl cations having three methyl groups or one, two, or three isopropyl groups on the 3-, 5-, and 7-positions were found by FT ICR to be more stable than the 1-adamantyl cation and that the stability increases with the number of isopropyl group. The relative stabilities calculated by PM3 were in good agreement with the experimental results. In contrast, the sequence of the rates for the solvolysis in nonaqueous solvents are 3,5,7-(Me)(3)-1-AdBr < 1-bromoadamantane (1-AdBr) < 3,5,7-(n-Pr)(3)-1-AdBr < 3,5,7-(i-Pr)(3)-1-AdBr. The rates of solvolysis of 3,5,7-(i-Pr)(3)-1-AdBr and 3,5,7-(n-Pr)(3)-1-AdBr relative to 1-AdBr at 25 degrees C are 15 and 3.8 in EtOH, respectively, but markedly decreases with the increase in the amount of added water, reaching 0.84 and 0.15, respectively, in 60% EtOH. Reflecting these effects of water, the Grunwald-Winstein (GW) relationship for 3,5,7-(i-Pr)(3)-1-AdBr and 3,5,7-(n-Pr)(3)-1-AdBr against Y(Br) is linear for nonaqueous alcohols (EtOH, MeOH, TFE-EtOH, TFE, 97% HFIP), but marked downward deviations are observed for aqueous organic solvents, in particular, aqueous ethanol and aqueous acetone. The effect of the alkyl substituents to diminish relative solvolytic reactivity in EtOH-H(2)O mixtures may be ascribed to a blend of steric hindrance to Betarphinsted base-type hydration to the beta-hydrogens and hydrophobic interaction of the alkyl groups with ethanol to make the primary solvation shell less ionizing. The introduction of one nonyl group to the 3-position showed much smaller deviations in the GW relationship than the case of 3,5,7-(n-Pr)(3)-1-AdBr. The markedly decelerated solvolysis of alkylated 1-bromoadamantanes in aqueous organic solvents is a kinetic version of anomalously diminished dissociation of alkylbenzoic acids in aqueous ethanol and aqueous tert-butyl alcohol that was demonstrated by Wepster and co-workers a decade ago and ascribed to hydrophobic effects.

Journal Article↗
PubMed2001

An experimental and theoretical study of the basicity of tetra-tert-butyltetrahedrane.

The gas-phase basicity (GB) of tetra-tert-butyltetrahedrane (tBu4THD) was determined by FT-ICR mass spectrometry and comparison with reference compounds of known basicity. Its GB, 1035+/-10 kJ x mol(-1), makes tetra-tert-butyltetrahedrane one of the strongest bases reported so far. Ab initio calculations [B3LYP/6-31G(d) and B3LYP/6-311 + G(d,p)//6-31G(d)] have been carried out in order to compare the high experimental basicity of tBu4THD with that estimated theoretically. Both B3LYP/6-31G(d) and QCISD(T) calculations were used to determine the reaction path which connects the initial tetrahedrane-ammonium complex with the final products, protonated cyclobutadiene (CBDH+) and ammonia.

Journal Article↗
PubMed2000

Organic Thermochemistry at High ab Initio Levels. 3. A G3 Study of Cyclic Saturated and Unsaturated Hydrocarbons (Including Aromatics).

With the purpose of exploring the reliability of the enthalpies of formation calculated using the G3 method, we have examined a series of saturated and unsaturated alicyclic hydrocarbons varying the size and the number of formal double bonds in the molecule. Heats of formation have been calculated at the G3 level through both atomization reactions and bond separation isodesmic reactions, and comparisons with experimental values and with values previously calculated at the G2(MP2) and G2 levels have been made. The quality of the G3-calculated enthalpies of formation using atomization reactions is comparable to that obtained at the G2 level using bond separation reactions, whereas G3 calculations are two to three times faster than G2 calculations.

Journal Article↗
PubMed2000

The Valence Isomerization of Cyclooctatetraene to Semibullvalene We are most grateful to "Servicios Informáticos de la Universidad de Alcalá", to Silicon Graphics, Inc. (Boston, MA) for computer facilities, and to Professors José-Luis Abboud (Instituto de Química Física "Rocasolano", C.S.I.C) and Julio Álvarez-Builla (Departamento de Química Organica, Universidad de Alcalá) for their generous and continuous support of our work. O.C. acknowledges financial support by the University of Alcalá for a short stay in the King's College, London, and the D.G.E.S. (project number PM97-0074).

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Journal Article↗
PubMed2000

[Prevalence of enterohemorrhagic Escherichia coli in a cattle area of Argentina. Genotypic characterization of the strains of animal origin].

BACKGROUND: There is a high prevalence of infection by Enterohemorrhagic Escherichia coli (EHEC) and patients with hemolytic uremic syndrome (HUS) in Argentina. AIM: To study cattle and pigs as a possible reservoir of EHEC in Argentina. MATERIAL AND METHODS: One hundred two healthy animals (68 cattles and 31 pigs) from a livestock in Argentina, were studied. Stool samples were obtained with a rectal swab. The strains were identified by DNA hybridization with specific gene probes detecting Shiga-like toxin 1 and 2 (Stx1, Stx2), and hly gen related to fimbrial adhesin-associated plasmid. EHEC strains were serogrouped using commercial antisera. RESULTS: EHEC was isolated from 30 out of 68 bovines cultures (44.1%) and from 25 out of 31 pigs (58.1%). Isolates carrying genes codifying both Stx1 and Sxt2, were observed in 50% of cattle and 63.9% of pigs. The gene which codifies for hemolysin (associated to fimbrial adhesin) was observed in about 41% of EHEC isolates. Strains belonging to serogroups O26, O111, and O157 were isolated from cattle, and O111, and O157 from pigs. CONCLUSIONS: The high percentage of EHEC in both cattle and pigs and the presence of human infection-associated serogroups, suggests that these animals are a reservoir of EHEC associated with disease in humans.

Animals↗
PubMed1997

[Spinal epidural abscess due to Fusobacterium nucleatum].

We report a case of spinal epidural abscess. In our knowledge this is the first ever reported case due to Fusobacterium nucleatum. An 83 year old female patient with a history of lumbar trauma presented severe lumbalgia. Magnetic resonance showed the unusual anterior location, complicated by psoas abscess. Laminectomy and lumbar drainage were performed. She was treated with ceftriaxone plus metronidazole during 10 days. The evolution was favourable without any residual neurological morbidity.

Abscess↗
PubMed1996

[Prosthetic valve endocarditis caused by Corynebacterium urealyticum].

Corynebacterium urealyticum has been recognised as causing inflammatory cystitis and other human infections. In our knowledge this is the first case of a prosthetic valve endocarditis due to C. urealyticum. It was diagnosed in a 61 year old male patient with a history of rheumatic fever, hypertension and aortic stenosis. He had undergone surgery to replace the aortic valve and to perform triple aortocoronary bypass. The isolate was not multiresistant. Endocarditis due to C. urealyticum is very rare. Corynebacterium species, usually considered as contaminants, frequently colonize surgical cardiovascular areas and must be taken into account as causative agents of severe endocarditis.

Corynebacterium Infections↗
PubMed1993

[Enteropathogenic microorganisms in children with acute diarrhea in 2 hospitals of Rosario, Argentina].

As part of a multicenter collaborative study the relative frequency of enteropathogenic agents in children less than 5 years of age with acute diarrhea was determined. Rates of isolation were similar as regards sex, age, and season. The frequency of polymorphonuclear cells (PMN) in the stools was significantly higher among patients requiring admission in comparison with ambulatory patients. Enteropathogenic E. coli (EPEC) was isolated more frequently in that group in comparison with outpatients (p < 0.001), mainly among children less than 5 months of age. The most prevalent agents were EPEC (26.1%), enterotoxigenic E. coli (ETEC) (9.7%), Shigella (8.5%), Rotavirus (5.1%), Giardia (3.6%), Campylobacter (3.2%), and Salmonella (2.4%). The EPEC predominant serogroups were 0 111, 0 55, 0 26, and 0 119. ETEC serotypes 0 153:H45 and 0 128:H21 were more often isolated. The predominant species in the genus Shigella were S. flexneri (80.5%), and S. sonnei (9.5%); in the genus Campylobacter, the species were C. jejuni (81.3%), and C. coli (18.7%). Shigella was clearly related to the presence of PMN in the faeces, in children less than 5 months old. Campylobacter was more frequent in ambulatory patients more than one year of age. Rotavirus was found predominantly in autumn and winter. Salmonella and ETEC were more frequent in summer. Giardia was associated with weight loss. In about 10% of the cases there were simultaneous mixed isolations of two or more agents. Salmonella isolates were sensitive to the majority of antimicrobial agents probed. Many Shigella and E. coli were resistant to sulfamethoxazole-trimethoprim and ampicillin (40-80%). Nearly all enterobacteria were sensitive to gentamicin and norfloxacin.

Acute Disease↗
PubMedDate not supplied

A ten-laboratory study of lomefloxacin (NY-198 or SC 47111) antimicrobial activity in Argentina.

The antimicrobial activity of a new fluoro-quinolone, lomefloxacin (NY-198, SC47111), was evaluated by standardized susceptibility testing methods at ten laboratories in Argentina. Lomefloxacin was found to be the most active drug against 1,316 recent clinical isolates compared directly to norfloxacin, co-trimoxazole, and gentamicin. Only 1.4% of Enterobacteriaceae were lomefloxacin-resistant (MIC greater than 4 micrograms/ml), and the lomefloxacin MIC90 for all staphylococci was 2 micrograms/ml, including methicillin-resistant isolates. Streptococci, enterococci, and some Pseudomonads (9% resistance) were less susceptible to lomefloxacin. Lomefloxacin was the most active against Neisseria gonorrhoeae strains compared to penicillin, cefuroxime, and spectinomycin. Among the tested Mycobacteria, only the nontuberculosis, slow growers had lomefloxacin MICs of greater than 4 micrograms/ml.

4-Quinolones↗
PubMedDate not supplied

Species and serovars of enteropathogenic agents associated with acute diarrheal disease in Rosario, Argentina.

We report the most frequent species and serovars of enteropathogenic organisms in Rosario from 1985 to 1993. Enteropathogenic Escherichia coli was the most prevalent agent affecting 144/570 (25.2%) children; 0111 represented 41.8%, 055: 13.6%, 0119: 12.7%. Among enterotoxigenic E. coli (ETEC) the most frequent were ETEC-ST 0128:H21 and 0153:H45. Shigella spp were isolated in 8.8%; S. flexneri: 7%, principally type 2 (59.5%); S. sonnei: 1.6%, and S. dysenteriae type 2: 0.2%. Campylobacter spp were found in 6.1% of patients; C. jejuni: 4.6%; C. coli: 1.4% and C. lari: 0.2%; except groups 0 13.50 and 0 4 (2 cases each), no predominant serogroups were found. Salmonella was isolated in 2.8% of cases, being the predominant serovar S. typhimurium until 1986, but a dramatically increase of cases due to S. enteritidis was observed since 1987. There was 1.9% of Aeromonas spp and 2 cases due to Vibrio cholerae non 0-1. No Yersinia was found. In patients with gastroenteritis due to Shigella, Campylobacter, Salmonella, or EPEC as the unique pathogen, leukocytes were observed in the faeces in 70%, 50%, 20%, and 10% of cases respectively.

Acute Disease↗
PubMedDate not supplied

Importance of hand germ contamination in health-care workers as possible carriers of nosocomial infections.

The importance of hands in the transmission of nosocomial infection has been world wide admitted. However, it is difficult to induce this behavior in health-care workers. The aim of the present work was to point out the importance of hand bacteria colonization, the influence of hand washing and of patient physical examination. One hundred health-care workers were randomly divided in two groups: Group A without hand washing previous to patient physical examination or handling (PPE); group B with hand washing previous to PPE. Direct fingerprint samples in Columbia agar before and after PPE were obtained. The colonies were counted and identified by conventional techniques, and antibiograms according to NCCLS were performed. Before PPE group A participants showed a high number of bacteria regarding group B participants (73.9 Vs 20.7; p < 0.001); 44 out of 50 participants were carriers of potentially pathogen bacteria. No group B participants were carriers of potential pathogen bacteria before PPE. The latter group showed an increase in number of bacteria after PPE (20.7 CFU (before) Vs 115.9 CFU (after); p < 0.001). Sixteen group B participants were contaminated after PPE with potential pathogens such as S. aureus (50% of them methicillin resistant); Escherichia coli, Pseudomonas aeruginosa and Enterococcus faecalis, half of them multiresistant. We can conclude on the importance of these results to implement educational programs and to provide the health-care workers with the proper commodities to fulfill this practice.

Colony Count, Microbial↗
PubMedDate not supplied

[Antimicrobial resistance among species of Salmonella, Shigella, Escherichia, and aeromonas isolated from children with diarrhea in 7 Argentinian centers].

The increasing levels of resistance of enteropathogenic bacteria against antimicrobial agents present geographic variations. We have analysed the antimicrobial susceptibility of isolates obtained from 4,364 children under 5 years of age with acute diarrhea, in 7 cities of Argentina. Diarrheagenic E. coli exhibited 74.5% of resistance against ampicillin, 64.2% against sulfametoxazole-trimethoprim, and Shigella spp., 62% and 75.6% respectively. Salmonella sp. showed 35%, 14%, 41.8%, 65.4%, 14.5%, and 13.6% of resistance against ampicillin, chloranfenicol, sulfametoxazole-trimetoprim, sulfadiazin, gentamycin, and fosfomycin respectively. These values are higher than the ones observed in developed countries. Aeromonas showed significantly lower resistance percentage. Important differences in our country were observed, consequently, local trials should be carried out in order to apply corrective measures.

Acute Disease↗
PubMedDate not supplied

[Hepatic abscess and bacteremia due to Lactobacillus rhamnosus].

The incidence of severe infections caused by Lactobacillus spp. is very low. This paper reports a case of a liver abscess and bacteremia due to Lactobacillus rhamnosus. The patient is a 73 year-old woman with antecedent of diabetes mellitus. She has undergone surgery and received antimicrobial therapy (ampicillin plus gentamicin). The clinical outcome was favorable.

Aged↗
PubMedDate not supplied

[Bacteremia in 2 hospitals in Rosario, Argentina].

Bacteremia is associated with high morbidity and mortality. Nosocomial bacteremia is associated with an attributable mortality of 35%. In order to characterize the etiological agent of bacteremia cases during two time periods, 6605 patients were studied as follows: 1) from 1980 to 1982 (n = 2401) and 2) from 1988 to 2000 (n = 4204). A total of 596 cases of bacteremia were detected. The most frequent agents were Staphylococcus aureus, negative coagulase (CNS) Staphylococcus, Klebsiella pneumoniae and Escherichia coli. In the second period, an increase in the frequency of bacteremia caused by gram positive bacteria, particularly gram-positive cocci, was noted. Conversely, gram negative bacteria diminished significantly in the second period, specially enterobacterial species. Methicillin-resistant S. aureus and CNS were significantly more frequently isolated in the second period. Infrequent agents of endocarditis, such as Actinobacillus actinomycetemcomitans, Haemophilus aphrophilus, and Corynebacterium urealyticum, were isolated.

Argentina↗