Morphologies of caustics and dislocation lines: some clues about their interrelation.

According to singular optics, the phase and intensity that characterize structured electromagnetic beams can be understood in terms of concepts that involve subspaces where they or their derivatives exhibit a particular behavior, such as giving rise to extreme values or not being well defined. Caustics are a paradigmatic example of the former, while helical dislocation lines exemplify the latter. In this work the interrelation of the morphology of caustics and the morphology of dislocation lines is theoretically studied. The analysis for highly structured beams requires an efficient methodology that allows the identification of optical vortices, their topological charge, and the helical dislocation lines they belong to. Such a methodology is introduced and applied to paraxial elliptic umbilic beams and nonparaxial Airy symmetric three-dimensional beams. Nonparaxial beams exhibit caustic surfaces that delimit regions with a finite volume and different intensity average. It is shown that in the high intensity region so defined, the dislocation lines play the role of an internal skeleton, i.e., an endoskeleton, of the beam. The exoskeleton created in the low intensity regions shows subtle and interesting features that complement those of the endoskeleton; the caustics that delimit low intensity regions have a strong influence on the morphology of the exoskeleton.

NWChem: Past, present, and future.

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this regard, electronic structure packages have played a special role by using first-principle-driven methodologies to model complex chemical and materials processes. Over the past few decades, the rapid development of computing technologies and the tremendous increase in computational power have offered a unique chance to study complex transformations using sophisticated and predictive many-body techniques that describe correlated behavior of electrons in molecular and condensed phase systems at different levels of theory. In enabling these simulations, novel parallel algorithms have been able to take advantage of computational resources to address the polynomial scaling of electronic structure methods. In this paper, we briefly review the NWChem computational chemistry suite, including its history, design principles, parallel tools, current capabilities, outreach, and outlook.

Two clusters of Toscana virus meningo-encephalitis in Livorno Province and Elba Island, July-September 2018.

BACKGROUND: Toscana virus (TOSV) is an arbovirus transmitted to humans by Phlebotomus spp sandflies. It causes aseptic meningitis and meningoencephalitis with marked seasonality. Here we describe the clinical, microbiological and epidemiological features of two clusters of cases occurred in Tuscany in 2018. METHODS: A confirmed case was defined as the detection of anti-TOSV IgM and IgG in serum sample, in presence of typical clinical manifestations. We consulted hospital records of hospitalized patients to collect clinical information and obtained epidemiological information from the local health authority investigation report. We telephonically interviewed patients using a standard questionnaire for a 6 months follow-up. RESULTS: A total of 12 cases of TOSV meningo-encephalitis with onset between 4th of July and 12th of September accessed health care services in the province of Livorno. Eight cases were males with median age 41,5 and four were not resident in the area. Serological investigations confirmed a recent TOSV infection. Eight cases reported visiting Elba Island and four had a possible occupational-related exposure. CONCLUSIONS: This surge of infection emphasizes the need of information campaigns coupled with adequate surveillance and control interventions against TOSV that, among other arboviruses, is a growing issue of concern in Italy.

Colonization by Legionella spp. of water networks in residential buildings of the Province of Pisa, Italy.

BACKGROUND: Despite the increase of community acquired cases of legionellosis in Italy over the last years, the Italian guidelines do not give indications for prevention and control of Legionella in the hot water networks (or centralized conditioning systems) of residential buildings. We performed a survey on eight medium sized apartment buildings in the Pisa district to assess the prevalence of Legionella spp. in the water network and the respondance to drinking water requisites at the point of use, according to the Italian norms. METHODS: For each building two hot water and three cold water samples (located at water entrance from the aqueduct network into the building pipework, at the exit from pressure autoclave, and at a remote tap) were collected. RESULTS: Legionella was detected in 20% of residential buildings, mostly in those with a central hot water production system. CONCLUSIONS: The study highlights a condition of potential risk for susceptible population subgroups and supports the need for measures of risk assessment and control.

Changes in atmospheric circulation and evapotranspiration are reducing rainfall in the Brazilian Cerrado.

Here we analyze the trends of rainfall and the frequency of rainy days over the Brazilian Cerrado between 1960 and 2021 in four distinct periods according to the seasonal patterns over the region. We also evaluated trends in evapotranspiration, atmospheric pressure, winds, and atmospheric humidity over the Cerrado to elucidate the possible reasons for the detected trends. We recorded a significant reduction in rainfall and frequency of rainy days in the northern and central Cerrado regions for all periods except at the beginning of the dry season. The most pronounced negative trends were recorded during the dry season and the beginning of the wet season, where we recorded reductions of up to 50% in total rainfall and the number of rainy days. These findings are associated with the intensification of the South Atlantic Subtropical Anticyclone, which has been shifting atmospheric circulation and raising regional subsidence. Moreover, during the dry season and the beginning of the wet season, there was a reduction in regional evapotranspiration, which also potentially contributed to the rainfall reduction. Our results suggest an expansion and intensification of the dry season in the region, potentially bringing broad environmental and social impacts that transcend the Cerrado boundaries.

Chemical Analysis and Study of Phenolics, Antioxidant Activity, and Antibacterial Effect of the Wood and Bark of Maclura tinctoria (L.) D. Don ex Steud.

Maclura tinctoria (L.) D. Don ex Steud. has one of the highest qualities among the coefficients for Brazilian woods (up to 9.6) and resistance rates equivalent to Indian teak (Tectona grandis). In this study, the macromolecular constituents and total phenols compounds as well as the antioxidant and antibacterial activities of this wood were evaluated. Total phenols and proanthocyanidin levels were higher in wood when compared with bark levels. The antioxidant activity of wood extracts (IC(50) = 18.7 µg/mL) was more effective than that of bark extracts (IC(50) = 20.9 µg/mL). Wood and bark extracts revealed a high potential for inhibition of aerobic and anaerobic bacteria. The bark extracts were the most active (MIC from 20 to 60 µg/mL). Both antioxidant activity and high potential for bacteria inhibition turn these extracts promising for drug formulations, especially as antibacterial agent.

Detection of viable but non-culturable legionella in hospital water network following monochloramine disinfection.

BACKGROUND: Prevention of legionellosis remains a critical issue in healthcare settings where monochloramine (MC) disinfection was recently introduced as an alternative to chlorine dioxide in controlling Legionella spp. contamination of the hospital water network. Continuous treatments with low MC doses in some instances have induced a viable but non-culturable state (VBNC) of Legionella spp. AIM: To investigate the occurrence of such dormant cells during a long period of continuous MC treatment. METHODS: Between November 2010 and April 2015, 162 water and biofilm samples were collected and Legionella spp. isolated in accordance with standard procedures. In sampling sites where MC was <1.5mg/L, VBNC cells were investigated by ethidium monoazide bromide (EMA)-real-time polymerase chain reaction (qPCR) and 'resuscitation' test into Acanthamoeba polyphaga CCAP 1501/18. According to the Health Protection Agency protocol, free-living protozoa were researched in 60 five-litre water samples. FINDINGS: In all, 136 out of 156 (87.2%) of the samples taken from sites previously positive for L. pneumophila ST269 were negative by culture, but only 47 (34.5%) negative by qPCR. Although no positive results were obtained by EMA-qPCR, four out of 22 samples associated with MC concentration of 1.3 ± 0.5mg/L showed VBNC legionella resuscitation. The presence of the amoeba A. polyphaga in the hospital water network was demonstrated. CONCLUSION: Our study is the first report evidencing the emergence of VNBC legionella during a long period of continuous MC treatment of a hospital water network, highlighting the importance of keeping an appropriate and uninterrupted MC dosage to ensure the control of legionella colonization in hospital water supplies.

Dehydration of hydroxenin monoacetate in the presence of ultrasound.

Starting from hydroxenin monoacetate, vitamin A acetate is obtained in a E/Z mixture by dehydration. This result could be explained by the formation of a small amount of hydrochloric acid from trichloromethane under ultrasound irradiation and based on further experiments.

Effect of breed on body composition and comparison between various methods to estimate body composition in dogs.

The objectives of this clinical study were firstly, to assess the effects of breed/genetic group on body composition in dogs using Dual-X-ray absorptiometry (DEXA) as the reference method and secondly, to check, in clinical field conditions, if methods easy to apply in veterinary practice [bioelectrical impedance (BIA), morphometric equations, body condition score and body mass index] can give similar body composition results to DEXA results, using canine breeds with very different genetic and morphologic backgrounds. 19 dogs from 6 breeds with different genetic origin were used. Results showed that breed differences exist regarding body composition in dogs. Body condition score and morphometric equation should be developed by breed or by groups of breeds for an accurate estimation of body composition of the various breeds of dogs with a different genetic background or morphology. Any of the other tested methodologies (BIA or morphometric equations) gave results in agreement with DEXA value, when dogs with different genetic background and morphologic characteristics are used, but BIA, eventually in combination with morphometric measurements, could be a method to develop to estimate fat-free mass in dogs of different breeds.

Health-related quality of life and right ventricular function in the midterm follow-up assessment after tetralogy of fallot repair.

BACKGROUND: Few data are available on quality of life after surgical repair of tetralogy of Fallot (ToF), and on its relationship to right ventricle function. METHODS: Patients with at least 1 year of follow-up evaluation after surgery were studied. Right ventricle function was evaluated by the Doppler-derived myocardial performance index (MPI), and health-related quality of life (HRQL) was assessed by the Child Health Questionnaire, Parent Form-50. Findings were compared with those for an age- and sex-matched group of healthy children. RESULTS: The study enrolled 35 successfully repaired ToF patients with 4.9 years (range, 3-7 years) of follow-up evaluation after surgery and 36 healthy children. The MPI demonstrated right ventricle dysfunction in patients compared with controls (0.34; range, 0.26-0.49 vs 0.2; range, 0.13-0.27; p < 0.01), although HRQL for the psychosocial domain was similar between patients and healthy children (summary score, 47.9; range, 45-52 vs 47.5; range, 44.5-50; p = 0.17). A trend for poorer physical area results was observed in patients (summary score, 44; range, 31-52 vs 48.5; range, 45.7-51.7; p = 0.06). Neither physical nor psychosocial summary scores for HRQL had any correlation with right ventricle MPI. CONCLUSIONS: Right ventricle dysfunction is present in postoperative ToF patients. The psychosocial domain of HRQL is preserved after surgery. A trend for worse results was observed in the physical domain. The right ventricle function is not related to quality of life after surgical repair of ToF.

Decisive dealings with collection agencies.

It is often with great reluctance that administrators turn over accounts to collection agencies. Premature placement of accounts should, of course, be avoided. However, it should be kept in mind that the desired goal is not low referral statistics, but collecting money. This straightforward guide to working with collection agencies covers what to look for in an agency, diversification techniques, fee negotiation, evaluating performance, strategies for improving efficiency, and implementing consistent criteria.

Antiviral activity in tissue culture systems of bis-benzimidazoles, potent inhibitors of rhinoviruses.

(S,S)-1,2-bis(5-methoxy-2-benzimidazolyl)-1,2-ethanediol showed antiviral activity in monolayer tissue culture systems against 55 strains of rhinovirus, three types of poliovirus, and strains of type A and B coxsackieviruses. Neither the compound nor any of the analogues tested showed virucidal activity. Its antiviral activity was not associated with interference with viral attachment to or penetration into the cell. At a concentration of 0.1 mg/ml, this group of compounds was generally nontoxic to WI-38, primary bovine kidney, and African green monkey kidney cells and had antiviral activity with 100% inhibition of virus-induced cytopathic effects (CPE). At antiviral levels, these compounds prevented CPE of up to 10(6) median tissue culture infective dose units of virus and completely inhibited formation of new infective virions. The compounds showed antiviral activity both prophylactically and therapeutically against rhinoviruses. Infected cultures could be cleared of CPE up to 90 hr after infection.

Antiviral activity of a bis-benzimidazole against experimental rhinovirus infections in chimpanzees.

The marked antiviral activity of (S,S-1,2-bis(5-methoxy-2-benzimidazolyl)-1,2-ethanediol (Abbott 36683) against rhinoviruses in tissue culture warranted investigation of its antiviral activity in vivo. Antiviral levels in mouse sera were attained with an oral dose as small as 10 mg/kg and detectable antiviral levels of drug were also found in lung, liver, kidney, intestinal contents, and urine of mice given a single 300 mg/kg oral dose. Antiviral serum levels were also obtained when monkeys were given a single oral dose of Abbott 36683. Six chimpanzees were infected with 100 median tissue culture infective dose units (TCID(50)) of rhinovirus 30. Three of the animals were treated with Abbott 36683, 100 mg/kg daily for 4 consecutive days. Virus shedding occurred in the infected controls but could not be demonstrated in the treated animals from postinfection days 1 to 8. Two of the treated animals did, however, shed virus on day 9. The compound was retested in chimpanzees at dosage levels of 15 and 50 mg/kg daily for 4 days. Each animal was challenged with 100 TCID(50) of rhinovirus 49. Partial protection was obtained. In a third trial, a single 100 mg/kg dose of the compound was administered to chimpanzees infected with rhinovirus 44. Virus was isolated from all throat smears taken from treated animals, indicating that at the lowest drug level no protection occurred.

Intoxicación por plaguicidas en pacientes asistidos en el Centro Nacional de Toxicología del Ministerio de Salud Pública / Intoxication by pesticides in patients assisted at the National Center of Toxicology of the Ministry of Public Health

Se ha observado un gran incremento en el uso de plaguicidas en el Paraguay, especialmenteen el área agrícola; sin embargo la conciencia sobre el peligro del uso de las sustanciasquímicas aún tiene una historia relativamente corta, y actualmente el control está bastantelimitado. Las estadísticas no tienen un registro único, por lo que se estima un importantesubregistro de casos. El siguiente trabajo corresponde a un estudio descriptivo de cortetransversal y retrospectivo con el propósito de determinar la frecuencia de intoxicación por eluso de plaguicidas y las características demográficas de pacientes que acudieron al CentroNacional de Toxicología (CNT) del Centro de Emergencias Médicas de Asunción, Paraguay, en elperíodo de julio del 2000 a mayo del 2004. El 13,7% de 2570 intoxicaciones correspondieron aplaguicidas, siendo las más frecuentes a órgano fosforados (47,1%). El grupo etáreo másfrecuente correspondió al de 16 a 30 años (50,3%) con predominio en el sexo femenino(58.2%). Con relación a la ocupación las intoxicaciones afectaban a estudiantes de primaria ysecundaria con 61 casos (22,6%), seguidos por 49 casos domésticos (18,2%) y agricultores con31 casos (11,5%). La mayoría de los pacientes provenían del departamento Central con 190casos (53,9%). Se destaca el bajo número de casos asistidos en el CNT de los departamentosque usan mayor cantidad de plaguicidas, además del fácil acceso que estudiantes de primaria ysecundaria tienen a estas sustancias químicas