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1.
J Chem Phys ; 160(6)2024 Feb 14.
Artigo em Inglês | MEDLINE | ID: mdl-38345113

RESUMO

The barrierless exothermic reactions between atomic oxygen and the cyano radical, O(3P) + CN(X2Σ+) → CO(X1Σ+) + N(2D)/N(4S), play a significant role in combustion, astrochemistry, and hypersonic environments. In this work, their dynamics and kinetics are investigated using both wave packet (WP) and quasi-classical trajectory (QCT) methods on recently developed potential energy surfaces of the 12A', 12A,″ and 14A″ states. The product state distributions in the doublet pathway obtained with the WP method for a few partial waves show extensive internal excitation in the CO product. This observation, combined with highly oscillatory reaction probabilities, signals a complex-forming mechanism. The statistical nature of the reaction is confirmed by comparing the WP results with those from phase space theory. The calculated rate coefficients using the WP (with a J-shifting approximation) and QCT methods exhibit agreement with each other near room temperature, 1.77 × 10-10 and 1.31 × 10-10 cm3 molecule-1 s-1, but both are higher than the existing experimental results. The contribution of the quartet pathway is small at room temperature due to a small entrance channel bottleneck. The QCT rate coefficients are further compared with experimental results above 3000 K, and the agreement is excellent.

2.
Dev Psychobiol ; 66(2): e22459, 2024 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-38372503

RESUMO

Poor fetal growth affects eating behavior and the mesocorticolimbic system; however, its influence on the hippocampus has been less explored. Brain insulin sensitivity has been linked to developmental plasticity in response to fetal adversity and to cognitive performance following high-fat diet intake. We investigated whether poor fetal growth and exposure to chronic hyperpalatable food in adulthood could influence the recognition of environmental and food cues, eating behavior patterns, and hippocampal insulin signaling. At 60 days of life, we assigned male offspring from a prenatal animal model of 50% food restriction (FR) to receive either a high-fat and -sugar (HFS) diet or standard chow (CON) diet. Behavioral tests were conducted at 140 days, then tissues were collected. HFS groups showed a diminished hippocampal pAkt/Akt ratio. FR-CON and FR-HFS groups had higher levels of suppressor of cytokine signaling 3, compared to control groups. FR groups showed increased exploration of a novel hyperpalatable food, independent of their diet, and HFS groups exhibited overall lower entropy (less random, more predictable eating behavior) when the environment changed. Poor fetal growth and chronic HFS diet in adulthood altered hippocampal insulin signaling and eating patterns, diminishing the flexibility associated with eating behavior in response to extrinsic changes in food availability in the environment.


Assuntos
Comportamento Alimentar , Retardo do Crescimento Fetal , Gravidez , Feminino , Humanos , Ratos , Animais , Masculino , Ratos Sprague-Dawley , Hipocampo , Dieta Hiperlipídica , Insulina , Desenvolvimento Fetal
3.
J Chem Phys ; 159(21)2023 Dec 07.
Artigo em Inglês | MEDLINE | ID: mdl-38054514

RESUMO

An accurate potential energy surface (PES) for the lowest lying A''4 state of the CNO system is presented based on explicitly correlated multi-reference configuration interaction calculations with quadruple zeta basis set (MRCI-F12/cc-pVQZ-F12). The ab initio energies are fitted using the double many-body expansion method, thus incorporating long-range energy terms that can accurately describe the electrostatic and dispersion interactions with physically motivated decaying functions. Together with the previously fitted lowest A'2 and A''2 states using the same theoretical framework, this constitutes a new set of PESs that are suitable to predict rate coefficients for all atom-diatom reactions of the CNO system. We use this set of PESs to calculate thermal rate coefficients for the C(P3) + NO(Π2) reaction and compare the temperature dependence and product branching ratios with experimental results. The comparison between theory and experiment is shown to be improved over previous theoretical studies. We highlight the importance of the long-range interactions for low-temperature rate coefficients.

4.
Foods ; 12(22)2023 Nov 09.
Artigo em Inglês | MEDLINE | ID: mdl-38002134

RESUMO

Due to environmental concerns, there is an increasing need to reduce the use of synthetic and non-renewable packaging materials to reduce waste and increase sustainability. This study aimed to characterise sodium alginate edible-based films (SA) incorporated with laurel leaf extract (LLE) and olive leaf extract (OLE) obtained by ultrasound-assisted extraction. Determination of total phenolic content, antioxidant, and antimicrobial activity was performed for the extracts and films. Also, thickness, tensile strength, elongation at break, modulus of elasticity, opacity and colour, moisture content, water vapour permeability (WVP), Fourier-transform infrared spectroscopy (FTIR) spectra, and surface morphology by scanning electron microscope (SEM) analyses were performed for the films. LLE yielded better results in terms of phenolic content (195 mg GAE/g), antioxidant (2.1 TE/g extract) and antimicrobial activity (MIC at 1% for Listeria monocytogenes and Staphylococcus aureus, and 1.8% for Enterococcus faecalis). For the films, the simultaneous incorporation of LLE 1% (w/v) and OLE 1% (w/v) resulted in a significant reduction of approximately 2 log CFU/g against S. aureus. The addition of LLE and OLE extracts also proved to improve barrier properties (lower WVP for SA films with LLE 1% + OLE 1%, 3.49 × 10-11 g m-1 s-1 Pa-1) and promoted changes in resistance and flexibility. The results demonstrated that active alginate-based films can be valuable for enhancing food preservation.

5.
J Dev Orig Health Dis ; 14(4): 501-507, 2023 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-37431265

RESUMO

Fetal restriction (FR) alters insulin sensitivity, but it is unknown how the metabolic profile associated with restriction affects development of the dopamine (DA) system and DA-related behaviors. The Netrin-1/DCC guidance cue system participates in maturation of the mesocorticolimbic DA circuitry. Therefore, our objective was to identify if FR modifies Netrin-1/DCC receptor protein expression in the prefrontal cortex (PFC) at birth and mRNA in adulthood in rodent males. We used cultured HEK293 cells to assess if levels of miR-218, microRNA regulator of DCC, are sensitive to insulin. To assess this, pregnant dams were subjected to a 50% FR diet from gestational day 10 until birth. Medial PFC (mPFC) DCC/Netrin-1 protein expression was measured at P0 at baseline and Dcc/Netrin-1 mRNA levels were quantified in adults 15 min after a saline/insulin injection. miR-218 levels in HEK-293 cells were measured in response to insulin exposure. At P0, Netrin-1 levels are downregulated in FR animals in comparison to controls. In adult rodents, insulin administration results in an increase in Dcc mRNA levels in control but not FR rats. In HEK293 cells, there is a positive correlation between insulin concentration and miR-218 levels. Since miR-218 is a Dcc gene expression regulator and our in vitro results show that insulin regulates miR-218 levels, we suggest that FR-induced changes in insulin sensitivity could be affecting Dcc expression via miR-218, impacting DA system maturation and organization. As fetal adversity is linked to nonadaptive behaviors later in life, this may contribute to early identification of vulnerability to chronic diseases associated with fetal adversity.


Assuntos
Resistência à Insulina , MicroRNAs , Humanos , Masculino , Gravidez , Feminino , Ratos , Animais , Netrina-1/genética , Netrina-1/metabolismo , Células HEK293 , Proteínas Supressoras de Tumor/genética , Proteínas Supressoras de Tumor/metabolismo , Insulina/metabolismo , Roedores/genética , Roedores/metabolismo , Receptores de Superfície Celular/genética , Receptores de Superfície Celular/metabolismo , Sinais (Psicologia) , Córtex Pré-Frontal/metabolismo , MicroRNAs/genética , MicroRNAs/metabolismo , RNA Mensageiro/metabolismo , Receptor DCC/metabolismo
6.
Foods ; 12(12)2023 Jun 07.
Artigo em Inglês | MEDLINE | ID: mdl-37372519

RESUMO

Meat deterioration during processing, distribution, and display can compromise the quality and safety of products, causing several undesirable changes and decreasing products' shelf-life, which has a negative impact on the industry and consumers. In recent years, studies have been carried out using decontamination techniques and new packaging methodologies to overcome deterioration problems, increase sustainability, and reduce waste. Edible films and coatings obtained from biopolymers such as polysaccharides, proteins, and lipids, combined with active compounds, can be an alternative approach. This article focused on recent studies that used alternative biodegradable polymeric matrices in conjunction with natural compounds with antioxidant/antimicrobial activity on chicken meat. Its impact on physicochemical, microbiological, and sensory characteristics was evident, as well as the effect on its shelf-life. In general, different combinations of active edible films or coatings had a positive effect on the chicken meat. Different studies reported that the main results were a decrease in microbial growth and pathogen survival, a slowdown in lipid oxidation evolution, and an improvement in sensory quality and shelf-life (an increase from 4 to 12 days).

7.
Trans R Soc Trop Med Hyg ; 117(5): 336-348, 2023 05 02.
Artigo em Inglês | MEDLINE | ID: mdl-36510849

RESUMO

BACKGROUND: The Brazilian Ministry of Health (MoH) recommends double screening (DS) for syphilis and HIV during the first and third trimesters of antenatal care (ANC) to mitigate vertical transmission. We surveyed DS outcomes and their associated factors in a priority Brazilian municipality with >100 000 inhabitants who face challenges for both health problems. METHODS: A total of 399 women were followed up throughout pregnancy using medical records. Spatial and multinomial logistic analyses were performed. RESULTS: There was an incidence rate of 24.8%, 59.4% and 15.8% for 'full DS', 'partial DS' and 'without DS', respectively. Younger women and those with a history of both prematurity and multiparity were less likely to be in the 'full DS' category. There was an overlap of high-density clusters of 'full DS' and 'ANC in better quality basic health units', adherent to both the Family Health Strategy and the National Program for Access and Quality Improvement in Primary Care. CONCLUSIONS: The poor DS outcomes presented in 75% of the cases were mostly linked to delays in starting ANC appointments or their discontinuity. Thus, the MoH recommendations, accompanied by ongoing training, technical assistance and the periodic evaluation of their implementation, need to effectively reach providers and promote counseling and awareness about the importance of DS for pregnant women.


Assuntos
Infecções por HIV , Complicações Infecciosas na Gravidez , Sífilis , Feminino , Gravidez , Humanos , Gestantes , Sífilis/diagnóstico , Sífilis/epidemiologia , Complicações Infecciosas na Gravidez/diagnóstico , Complicações Infecciosas na Gravidez/epidemiologia , Complicações Infecciosas na Gravidez/prevenção & controle , Brasil/epidemiologia , Incidência , Infecções por HIV/diagnóstico , Infecções por HIV/epidemiologia , Infecções por HIV/prevenção & controle , Fatores de Risco , Análise Espacial , Transmissão Vertical de Doenças Infecciosas/prevenção & controle
8.
J Mol Model ; 28(10): 318, 2022 Sep 16.
Artigo em Inglês | MEDLINE | ID: mdl-36109369

RESUMO

Carbon nanotubes have several applications including the removal of pollutants via adsorption. Many studies were carried out in order to evaluate how the functionalization of these materials improves the efficiency of the process. However, a better understanding of the mechanisms involved in adsorption on nanotubes is still needed. In this work it was evaluated how the oxidation of nanotubes influences the adsorption of a model molecule (methylene blue). For this purpose, a realistic model described on the grand canonical ensemble was used. In this approach, the experimental isotherms were adjusted and provided relevant information about the process, such as the number of layers and the orientation of the adsorbed molecules. In addition, since the treatment is based on statistical mechanics, it was possible to calculate the configurational entropy and Gibbs free energy of the process.


Assuntos
Poluentes Ambientais , Nanotubos de Carbono , Adsorção , Azul de Metileno
9.
J Mol Model ; 28(9): 286, 2022 Sep 02.
Artigo em Inglês | MEDLINE | ID: mdl-36056267

RESUMO

The Hopfield Neural Network has been successfully applied to solve ill-posed inverse problems in different fields of chemistry and physics. In this work, the non-linear approach for this method will be applied to retrieve the empirical parameters of potential energy function, [Formula: see text], between adsorbate and adsorbent from experimental data. Since the adsorption data is related to the second virial coefficient and therefore to [Formula: see text] through an integral equation, the Hopfield Neural Network will be used to find the best parameters which fits the experimental data. Initially simulated results will be analyzed to verify the method performance for data sets with and without noise addition. Then, experimental data for adsorption of propionitrile on activated carbon will be treated. Results presented here corroborate to the robustness of this method.


Assuntos
Redes Neurais de Computação , Adsorção
10.
Polymers (Basel) ; 14(18)2022 Sep 09.
Artigo em Inglês | MEDLINE | ID: mdl-36145923

RESUMO

Rigid polyurethane foams were prepared by the one-step expandable foam method using casting molding followed by forming clay-based composites. Polyurethane/vermiculite foam composites (PU/VMT) were controlled based on adding the percentage of clay in the formulation. The effects of composite modifications were evaluated by X-ray diffraction (XRD), thermogravimetric analysis (TG/DTG), and scanning electron microscopy (SEM/EDS) applied to the flame retardancy explored by the vertical burn test. The results indicated that adding clay controlled the particle size concerning polyurethane (PU) foams. However, they exhibited spherical structures with closed cells with relatively uniform distribution. XRD analysis showed the peaks defined at 2θ = 18° and 2θ = 73° relative to the crystallinity in formation and interaction of rigid segments were identified, as well as the influence of crystallinity reduction in composites. In the flame test, the flame retardant surface was successful in all composites, given the success of the dispersibility and planar orientation of the clay layers and the existence of an ideal content of vermiculite (VMT) incorporated in the foam matrix.

11.
BMC Ophthalmol ; 22(1): 189, 2022 Apr 25.
Artigo em Inglês | MEDLINE | ID: mdl-35468752

RESUMO

BACKGROUND: Wavefront-optimized laser-assisted in situ keratomileusis (LASIK) ablation is the most commonly performed procedure in refractive surgery, but new technologies have become available. Our goal was to compare topography-guided (Contoura) and asphericity-guided (Custom-Q) customized ablation treatments for the correction of myopia with or without astigmatism. METHODS: This prospective, randomized, double-blind, contralateral eye study included 60 eyes of 30 patients with myopia or myopic astigmatism requiring femtosecond LASIK (FemtoLASIK) treatment. For each patient, one eye was randomized to undergo Contoura treatment, and the other underwent Custom-Q abaltion. Uncorrected distance visual acuity (UDVA), corrected distance visual acuity (CDVA), manifest refractive spherical equivalent (MRSE), sphere (SPH), cylinder (CYL), 6.0-mm total corneal aberration root mean square (RMS), coma (COMA), trefoil (TREF), and spherical aberration (SA) were measured and analysed after a 1-year follow-up. RESULTS: The UDVA was - 0.08 ± 0.06 logMAR in Contoura eyes and - 0.08 ± 0.05 logMAR in Custom-Q eyes (p = 0.309) after 12 months. Twenty-five eyes (83%) in the Contoura group and twenty-six eyes (87%) in the Custom-Q group had a UDVA of 20/16 at the end of 12 months, and 100% of eyes in both groups reached a UDVA of 20/25 or better. Ninety and 100% of eyes in the Contoura and Custom-Q groups, respectively, achieved a residual CYL ≤0.50 D (p = 0.237). No statistically significant difference was observed between the surgical techniques in the preoperative to 1-year postoperative changes for any of the parameters evaluated (MRSE, CYL, RMS, DEF, COMA, TREF, and SA). CONCLUSIONS: The Contoura and Custom-Q techniques yielded excellent visual and refractive results, but the evidence did not reveal any clear differences between these two methods after 1 year of follow-up. TRIAL REGISTRATION: ReBEC - Registro Brasileiro de Ensaios Clínicos [Internet]: Rio de Janeiro (RJ): Instituto de Informação Científica e Tecnológica em Saúde (Brazil); 2010 -. Identifier RBR-8rs5kt Myopia and Astigmatism Topography-guided Refractive Surgery by Contoura Method Versus Customized by Asphericity in Contralateral Eyes: A prospective Double blind Randomized Study. Available from https://ensaiosclinicos.gov.br/rg/RBR-8rs5kt Date of registration: 02/03/2020 (dd/mm/yyyy). CAAE:96778718.9.0000.5192. Issuing authority: Plataforma Brasil. CEP:2.979.279. Issuing authority: HUOC.


Assuntos
Astigmatismo , Ceratomileuse Assistida por Excimer Laser In Situ , Miopia , Astigmatismo/cirurgia , Brasil , Topografia da Córnea/métodos , Humanos , Ceratomileuse Assistida por Excimer Laser In Situ/métodos , Lasers de Excimer/uso terapêutico , Miopia/cirurgia , Estudos Prospectivos , Refração Ocular , Resultado do Tratamento
12.
J Food Prot ; 85(11): 1566-1575, 2022 11 01.
Artigo em Inglês | MEDLINE | ID: mdl-35202475

RESUMO

ABSTRACT: The monitoring of carcass surface contamination along the slaughter line enables verification of slaughter operation hygiene and the use of good manufacturing practices. Pork meat is a common source of human nontyphoidal salmonellosis, one of the most frequently reported foodborne illnesses worldwide. This study was conducted to gather data on microbial loads before and after evisceration on the surfaces of swine carcasses in two slaughterhouses. The presence of Salmonella enterica was evaluated only after evisceration on carcass surfaces and in livers and floor drains (environmental samples) because pigs are common carriers of this pathogen. The contamination of carcass surfaces was evaluated by delimitation of surface area with sterilized templates (100 cm2), and surface samples were collected with gauze swabs. Total aerobic mesophilic bacteria, Enterobacteriaceae, and Escherichia coli were enumerated. Significant differences (P < 0.05) in counts of mesophilic bacteria, Enterobacteriaceae, and E. coli were found on the external carcass surfaces, with higher counts after evisceration. The neck and abdominal areas had higher levels of mesophilic bacteria, Enterobacteriaceae, and E. coli and a high prevalence of Salmonella. Salmonella was detected in only one of the studied slaughterhouses; 19 (7.3%) of 259 analyzed carcass samples were positive for Salmonella, and Salmonella was detected in two livers and two floor drains. A total of 52 Salmonella isolates (44 from carcasses, 5 from livers, and 3 from drains) were recovered. Three Salmonella serovars (Typhimurium 4,5:i- , Wernigerone, and Derby) were identified, and 53.8% of the 52 isolates were multidrug resistant. The results reveal the need for continuous improvement of slaughtering operations and implementation of good manufacturing practices to ensure the safety of pork produced in Portugal.


Assuntos
Matadouros , Escherichia coli , Suínos , Humanos , Animais , Portugal , Carne/microbiologia , Salmonella , Enterobacteriaceae , Higiene , Contaminação de Alimentos/análise , Prevalência
13.
Preprint em Português | SciELO Preprints | ID: pps-3482

RESUMO

Background: Telemedicine supported by Artificial Intelligence (AI) has been an ally in the fight against cardiovascular disease. Tarumã, a municipality located in São Paulo, has been using these kinds of techniques as part of a project to decrease mortality from chronic non-communicable diseases (NCDs). Objective: This study aimed to analyze the results obtained after one year of implementation of telemedicine and AI in cardiology in the city of Tarumã. Methods: All the data was supplied by the companies "iSalut" and "Portal Telemedicina", the Municipal Health Department, the health surveillance department and the company 4R Municipality Software Advisory Service. To verify the significance of data, an ANOVA analysis was carried out for non-parametric data. secondary data have been also related to demographic indicators and healthy care on national basis. Results: As a result, there was a decrease of 21% in premature deaths from cardiovascular diseases and of 25% in premature deaths from circulatory diseases. In addition, between January and August 2020, the number of deaths from CNCD dropped by 45% when compared to the same period in 2019. By relating the previous years, the ANOVA analysis showed a significance F(4,113)=14, 30 (p = 0.001), and the greatest difference was regarding the circulatory system diseases. Besides, the average cost per consultation decreased 60% and the reduction in the number of trips per patient represented a saving of R$5,300.00 in fuel expenses. Conclusion: It can be concluded that in addition to enhancing the patient care by health services, telemedicine reduced the revenue related to health expenses and optimized the use of resources by the municipality.


Introdução: A telemedicina apoiada por Inteligência Artificial (IA) tem sido aliada na luta contra as doenças cardiovasculares. Tarumã, município localizado em São Paulo, tem utilizado essas técnicas como parte de um projeto para  diminuir a mortalidade por doenças crônicas não transmissíveis (DCNT). Objetivos: Analisar os resultados obtidos após um ano de implementação da telemedicina e da IA na cardiologia no município de Tarumã. Métodos: Foram utilizados dados fornecidos pelas empresas "iSalut" e "Portal Telemedicina", Secretaria Municipal de Saúde, Vigilância Sanitária  e a empresa 4R Sistemas e Assessoria de município. Para verificar a significância dos dados foi realizada uma análise ANOVA para dados não paramétricos. Também foram acessados dados secundários relacionados aos índices demográficos populacionais e serviços de saúde em bases nacionais. Resultados: Houve diminuição de 21% dos óbitos prematuros por doenças cardiovasculares e 25% dos óbitos prematuros por doenças circulatórias. Além disso, entre os meses de janeiro e agosto de 2020, o número de óbitos  por DCNT caiu em 45% quando comparado com o mesmo período em 2019. A análise ANOVA, relacionando os anos anteriores demonstrou uma significância F(4,113)=14,30 (p =0,001), sendo que a maior diferença foi em relação às doenças do aparelho circulatório. Além disso, o custo médio  por consulta diminuiu 60% e a redução do número de deslocamento por pacientes representou uma economia de R$5.300,00 em gastos em combustível. Conclusões: Com isso, pode-se concluir que a telemedicina além de potencializar a prestação de cuidados ao paciente pelos serviços de saúde, diminuiu a receita relacionada aos gastos em saúde e otimizou a utilização de recursos pelo município.

14.
Antibiotics (Basel) ; 12(1)2022 Dec 23.
Artigo em Inglês | MEDLINE | ID: mdl-36671222

RESUMO

A clinical-epidemiological score to predict CR-GNB sepsis to guide empirical antimicrobial therapy (EAT), using local data, persists as an unmet need. On the basis of a case-case-control design in a prospective cohort study, the predictive factors for CR-GNB sepsis were previously determined as prior infection, use of mechanical ventilation and carbapenem, and length of hospital stay. In this study, each factor was scored according to the logistic regression coefficients, and the ROC curve analysis determined its accuracy in predicting CR-GNB sepsis in the entire cohort. Among the total of 629 admissions followed by 7797 patient-days, 329 single or recurrent episodes of SIRS/sepsis were enrolled, from August 2015 to March 2017. At least one species of CR-GNB was identified as the etiology in 108 (33%) episodes, and 221 were classified as the control group. The cutoff point of ≥3 (maximum of 4) had the best sensitivity/specificity, while ≤1 showed excellent sensitivity to exclude CR-GNB sepsis. The area under the curve was 0.80 (95% CI: 0.76-0.85) and the number needed to treat was 2.0. The score may improve CR-GNB coverage and spare polymyxins with 22% (95% CI: 17-28%) adequacy rate change. The score has a good ability to predict CR-GNB sepsis and to guide EAT in the future.

15.
Foods ; 10(10)2021 Sep 30.
Artigo em Inglês | MEDLINE | ID: mdl-34681374

RESUMO

BACKGROUND: This study aims to evaluate food waste and menu quality in two canteens (A and B) from a Portuguese public university in order to identify challenges and opportunities to improve the food service. METHODS: Food waste included the analysis of two canteens over 5 consecutive days by selective aggregate weighing. A qualitative evaluation of a 5-week menu cycle related to lunches was performed through the Qualitative Evaluation of Menus (AQE-d) method. RESULTS: Both menus have "satisfactory" evaluations and lower adequacy to the dietary guidelines in criteria A, which evaluates general items from the dish, and in criteria B, which evaluates meat, fish and eggs. The calculated mean of food waste in both canteens exceeded the acceptable limit of 10%, except for the vegetarian (7.5%) dish in canteen A. The biggest waste was found in the vegetarian dish (16.8%) in canteen A. In meat dishes the conduit presents more waste (17.0%) than in fish and vegetarian dishes. Among these, the vegetables were the most wasted (25.3% and 27.9%, respectively). CONCLUSION: This work presents some insights to future interventions in the direction of a healthier and more sustainable foodservice.

16.
J Phys Chem Lett ; 12(25): 5979-5986, 2021 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-34161096

RESUMO

The formation pathways to silicon- and sulfur-containing molecules are crucial to the understanding of silicon-sulfur chemistry in interstellar and circumstellar environments. While multiple silicon- and sulfur-containing species have been observed in deep space, their fundamental formation mechanisms are largely unknown. The crossed molecular beams technique combined with electronic structure and Rice-Ramsperger-Kassel-Marcus (RRKM) calculations was utilized to study the bimolecular reaction of atomic silicon (Si(3Pj)) with thiomethanol (CH3SH, X1A') leading to the thiosilaformyl radical (HSiS, X2A') via an exclusive methyl radical (CH3, X2A2″) loss via indirect scattering dynamics which involves barrierless addition and hydrogen migration in an overall exoergic reaction, indicating the possibility that HSiS can form in cold molecular clouds. The astronomically elusive thiosilaformyl radical may act as a tracer of an exotic silicon-sulfur chemistry to be deciphered toward, for example, the star-forming region SgrB2, thus leading to a better understanding of the formation of silicon-sulfur bonds in deep space.


Assuntos
Modelos Moleculares , Silício/química , Enxofre/química , Radicais Livres/química , Hidrogênio/química , Conformação Molecular
17.
Antimicrob Resist Infect Control ; 10(1): 92, 2021 06 16.
Artigo em Inglês | MEDLINE | ID: mdl-34134752

RESUMO

BACKGROUND: The emergence and spread of antimicrobial resistance and infectious agents have challenged hospitals in recent decades. Our aim was to investigate the circulation of target infectious agents using Geographic Information System (GIS) and spatial-temporal statistics to improve surveillance and control of healthcare-associated infection and of antimicrobial resistance (AMR), using Klebsiella pneumoniae complex as a model. METHODS: A retrospective study carried out in a 450-bed federal, tertiary hospital, located in Rio de Janeiro. All isolates of K. pneumoniae complex from clinical and surveillance cultures of hospitalized patients between 2014 and 2016, identified by the use of Vitek-2 system (BioMérieux), were extracted from the hospital's microbiology laboratory database. A basic scaled map of the hospital's physical structure was created in AutoCAD and converted to QGis software (version 2.18). Thereafter, bacteria according to resistance profiles and patients with carbapenem-resistant K. pneumoniae (CRKp) complex were georeferenced by intensive and nonintensive care wards. Space-time permutation probability scan tests were used for cluster signals detection. RESULTS: Of the total 759 studied isolates, a significant increase in the resistance profile of K. pneumoniae complex was detected during the studied years. We also identified two space-time clusters affecting adult and paediatric patients harbouring CRKp complex on different floors, unnoticed by regular antimicrobial resistance surveillance. CONCLUSIONS: In-hospital GIS with space-time statistical analysis can be applied in hospitals. This spatial methodology has the potential to expand and facilitate early detection of hospital outbreaks and may become a new tool in combating AMR or hospital-acquired infection.


Assuntos
Infecção Hospitalar/epidemiologia , Farmacorresistência Bacteriana Múltipla , Sistemas de Informação Geográfica , Infecções por Klebsiella/epidemiologia , Brasil , Interpretação Estatística de Dados , Humanos , Klebsiella pneumoniae/efeitos dos fármacos , Fenótipo , Estudos Retrospectivos , Análise Espaço-Temporal , Centros de Atenção Terciária
18.
Sci Rep ; 11(1): 10638, 2021 05 20.
Artigo em Inglês | MEDLINE | ID: mdl-34017018

RESUMO

This study aimed to evaluate in the papaya Tainung genotype, the effects of partial root-zone drying (PRD) technique on soil water regimes by using different frequencies of shifting irrigation-side of plant row and the effects of PRD technique on (1) crop agronomic performance, (2) titratable fruit acidity (TA), (3) total soluble solids (TSS), and TSS/TA ratio. Also, we analyze the spatial dynamic of papaya condition using normalized difference vegetation index (NDVI) from different satellite images. The study was conducted in the semi-arid region of Bahia (BA) and Minas Gerais (MG), Brazil. The combination of 100% (Full irrigation-FU), 50%, and 35% in the irrigation depth (WID) and frequencies of shifting plant-row side irrigation of 0 (Fixed Irrigation-FX), 7, 14, and 21 days were applied. Nine treatments were studied in BA and five in MG. The water available in the soil was reduced to 44% for frequencies of shifting plant-row side irrigation of 7 days, 50% for 14 days, and 85% for 21 days, compared to the soil water availability at field capacity. Partial water deficit in the soil through the PRD technique did not significantly reduce the total root length, effective root depth, and root effective horizontal distance of the papaya Tainung genotype. However, PRD treatments showed leaf abscission, which resulted in reduced leaf area and NDVI values, especially in the MG experiment. Papaya yield and fruit quality were not affected. However, except for PRD 21 35%, irrigation water depth reduced to 50 and 35% under PRD increased crop water productivity (CWP) in papaya plants. Thus, the PRD technique may save 35% of WID using the alternation of lateral shift irrigation of crop row every 7 days under water scarcity in semi-arid regions. The NDVI index was important to compare the papaya canopy vigor between the experimental areas studied. We also confirmed the potential of NDVI to monitor the vigor of papaya canopy, since we could notice the sensibility of NDVI to identify water stress in papaya in higher vapor pressure deficit (VPD) conditions occurred in October 2016 and January 2017 in Bom Jesus da Lapa-BA. Therefore, the PRD strategy can be a useful tool to save water in papaya cultivation under semi-arid conditions.

19.
Rev. bras. oftalmol ; 80(1): 67-70, jan.-fev. 2021. graf
Artigo em Português | LILACS | ID: biblio-1251316

RESUMO

RESUMO O laser in situ keratomileusis (LASIK) é o método cirúrgico refrativo mais realizado no mundo com excelentes resultados, porém tal método não é isento de riscos. A ectasia pós LASIK é uma complicação grave e se caracteriza por um aumento progressivo da curvatura e afinamento da córnea, resultando em astigmatismo irregular e diminuição da acuidade visual. Sua incidência na literatura atual é de aproximadamente 0,033%. O principal tratamento dessa complicação é o implante de anel intra-estromal com cross-linking. Neste artigo descrevemos um caso de uma mulher de 45 anos submetida a sucessivas tentativas de tratamento de ectasia pós LASIK, com implante de anel intra-estromal bilateral, sem sucesso em um dos olhos. Foi feito o uso do excimer laser topoguiado através do photorefractive keratectomy (PRK) sem o cross-linking, que optamos por não realizar pela estabilidade há anos, pelo risco alto de haze e pela ablação apenas na lamela (que era espessa).A paciente obteve melhorasignificativa da visão e da qualidade de vida. Mantemos o acompanhamento a cada seis meses desde então com a tomografia da córnea.


ABSTRACT The laser in situ keratomileusis (LASIK) is the most widely used refractory surgical method in the world with excellent results, but this method is not without risks. Post-LASIK ectasia is a serious complication and is characterized by a progressive increase in curvature and thinning of the cornea, resulting in irregular astigmatism and decreasing visual acuity. Its incidence in the current literature is approximately 0.033%. The main treatment for this complication is the implantation of an intra-stromal ring with crosslinking. In this article, we describe a case of a 45-year-old woman who underwent successive attempts to treat post-LASIK ectasia, with bilateral intra-stromal ring implantation, with no success in the eyes. Excimer laser was used, made through photorefractive keratectomy (PRK) without cross-linking and the patient obtained significant improvement in vision and in quality of life.


Assuntos
Humanos , Feminino , Pessoa de Meia-Idade , Ceratectomia Fotorrefrativa/métodos , Ceratomileuse Assistida por Excimer Laser In Situ/efeitos adversos , Tomografia de Coerência Óptica/métodos , Dilatação Patológica/etiologia
20.
F1000Res ; 10: 356, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-37063976

RESUMO

Common brain abnormalities are a possible explanation for comorbidities in psychiatric disorders. Challenges in understanding these conditions are likely due to the paucity of studies able to analyze the extent and regional distribution of shared morphometric abnormalities between disorders. Recently, Opeal et al. presented an elegant rationale to investigate shared and specific morphometric measures of cortical thickness and subcortical gray matter volume between healthy individuals and subjects across six major psychiatric disorders. Although their approach has the potential to systematically portrait shared brain alterations, the chosen principal component analysis solution may not address the central question of the observed shared versus specific brain alterations due to misspecification of the number of components. Given how this misspecification can lead to different conclusions, we reanalyzed Opel et al. data to thoroughly determine the number of factors to be considered, explore the alternative solution, and visualize the patterns of shared brain matter correlations using network analysis. Our approach suggests that a unidimensional solution was appropriate in this situation. The unidimensional solution indicated that brain alterations in autism spectrum disorder (ASD) had a significant negative component loading, suggesting that brain abnormalities found in ASD carry more similarities with major depressive disorder (MDD), bipolar disorder (BD), schizophrenia (SCZ), and obsessive-compulsive disorder (OCD) than demonstrated by the original work. Network analysis indicated that SCZ had the highest strength, BD the highest closeness, and BD and MDD had the highest betweenness in the network. This work highlights how different component solutions can lead to different conclusions, with important implications for the understanding of overlapped patterns of symptoms among six major psychiatric diseases. The network approach is complementary in indicating central markers of specific psychopathology domains. Investigations using shared-variation and network perspectives are promising for the study of pathophysiological patterns of common brain alterations.

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