Impact of the Supplementation of Exogenous Protease and Carbohydrase on the Metabolizable Energy and Standardized Ileal Amino Acid Digestibility of Soybean Meals in Two Brazilian Regions

This study aimed to evaluate the effects of different exogenous protease and carbohydrase in broiler diets on the nitrogen-corrected apparent metabolizable energy (AMEn) and standardized ileal amino acid digestibility (SIAAD) of soybean meals (SBM) in two Brazilian regions (Minas Gerais-MG and Rio Grande do Sul-RS). The total excreta collection of 528 14-d-old chicks was used to determine AMEn in a completely randomized design in a 2 (SBM MG and RS) x 5 (enzyme A, B, C, D and basal diet) + 1 (reference diet, RD) factorial arrangement, totaling 11 treatments, 8 repetitions, and 6 birds per experimental unit. Two experimental treatments (T1 and T6) without enzyme supplementation formulated with SBM MG and RS were used as negative control (NC). The RD without the inclusion of SBM MG and RS was used to correct the nitrogen balance. To determine the SIAAD, ileal content was collected from of broilers and the same experimental design and treatments of the previous trial were used except for the RD, which was replaced with a nitrogen-free diet (NFD) to quantify the excretion of endogenous amino acids. Soybean meal from MG showed the highest levels (p<0.05) of AME and AMEn (3,188 kcal/kg and 2,700 kcal/kg, respectively) in comparison to SBM RS (3,121 kcal/kg and 2,549 kcal/kg, respectively) and, when supplemented with the exogenous enzyme C, also improved the SIAAD (p<0.05), as compared to other enzymes.(AU)

Fungal and bacterial coinfections increase mortality of severely ill COVID-19 patients.

BACKGROUND: SARS-CoV-2 predisposes patients to secondary infections; however, a better understanding of the impact of coinfections on the outcome of hospitalized COVID-19 patients is still necessary. AIM: To analyse death risk due to coinfections in COVID-19 patients. METHODS: The odds of death of 212 severely ill COVID-19 patients were evaluated, with detailed focus on the risks for each pathogen, site of infection, comorbidities and length of hospitalization. FINDINGS: The mortality rate was 50.47%. Fungal and/or bacterial isolation occurred in 89 patients, of whom 83.14% died. Coinfected patients stayed hospitalized longer and had an increased odds of dying (odds ratio (OR): 13.45; R2 = 0.31). The risk of death was increased by bacterial (OR: 11.28) and fungal (OR: 5.97) coinfections, with increased levels of creatinine, leucocytes, urea and C-reactive protein. Coinfections increased the risk of death if patients suffered from cardiovascular disease (OR: 11.53), diabetes (OR: 6.00) or obesity (OR: 5.60) in comparison with patients with these comorbidities but without pathogen isolation. The increased risk of death was detected for coagulase-negative Staphylococcus (OR: 25.39), Candida non-albicans (OR: 11.12), S. aureus (OR: 10.72), Acinetobacter spp. (OR: 6.88), Pseudomonas spp. (OR: 4.77), and C. albicans (OR: 3.97). The high-risk sites of infection were blood, tracheal aspirate, and urine. Patients with coinfection undergoing invasive mechanical ventilation were 3.8 times more likely to die than those without positive cultures. CONCLUSION: Severe COVID-19 patients with secondary coinfections required longer hospitalization and had higher risk of death. The early diagnosis of coinfections is essential to identify high-risk patients and to determine the right interventions to reduce mortality.

Energia metabolizável e aminoácidos digestíveis de coprodutos de trigo e de farinhas de origem animal em dietas para frangos de corte / [Metabolizable energy and digestible amino acids of wheat co-products and animal origin meals in broiler diets]

The objective of this study was to determine the metabolizable energy, standardized ileal amino acid digestibility (SIAAD) and digestible amino acid values of wheat meal (WM), wheat gluten meal (WGM), meat bone meal (MBM) and poultry-by-product meal (PPM) in diets for broilers. In the first experiment, the total excreta collection method was used, with 180 chicks with 14 days, distributed in a completely randomized design, with 4 feeds + reference diet with 6 replicates and 6 broilers each. In the second experiment, 180 broilers from 24 to 28 days old were used, distributed in a completely randomized design, with 4 feeds + one protein free diet with 6 replicates and 6 broilers each. The AMEn values of WM, WGM, MBM and PPM were 3052, 3174, 1556 and 3200 (kcal/kg), respectively. The average SIAAD of the essential and non-essential amino acids of WM, WGM, MBM and PPM were 74.21, 97.50, 69.28 and 83.08; 76.32, 96.42, 63.93 and 77.66, respectively. The values of the main digestible limiting amino acids were 0.18, 1.42, 0.41 and 0.94 for methionine; 0.20, 1.48, 1.73 and 2.73 for lysine; 0.23, 1.67, 0.72 and 1.89 for threonine; and 0.35, 3.22, 1.38 and 2.47 for valine, respectively for the feedstuffs in study.(AU)

Salmonella, Escherichia coli and Enterobacteriaceae in the peanut supply chain: From farm to table.

Due to recent foodborne outbreaks, peanuts have been considered a potential risk for Salmonella transmission. For this reason, the aim of this study was to determine the prevalence and contamination load of Salmonella, Escherichia coli and Enterobacteriaceae throughout the peanut supply chain in Brazil. Samples of peanuts and peanut-containing processed products from post-harvest (n=129), secondary processing (n=185) and retail market (n=100) were analyzed. The results showed high Enterobacteriaceae counts in the post-harvest samples. At the end of the secondary processing, 16% of the samples remained contaminated by this group of microorganisms. Six peanut samples from primary production and one sample of peanut butter were tested positive for E. coli while Salmonella was detected in nine samples (2.2%): six from post-harvest, two from the initial stage of the secondary processing and one from retail. The Salmonella counts ranged between 0.004 and 0.092MPN/g and five serotypes were identified (Muenster, Miami, Javiana, Oranienburg, Glostrup). The results demonstrated a high prevalence of Enterobacteriaceae and low prevalence of E. coli throughout the peanut supply chain. Furthermore, it was verified that peanuts may become contaminated by Salmonella during different stages of the supply chain, especially at post-harvest.

Avaliação nutricional e energética da soja integral tostada para frangos de corte / Nutritional and energetic evaluation of toasted full-fat soybean for broilers

Objetivou-se determinar a composição química, os valores energéticos e os coeficientes de digestibilidade ileal verdadeira de aminoácidos de sojas integrais tostadas de cinco regiões. No primeiro experimento, foram utilizados 288 pintos de corte machos da linhagem Cobb 500, com 13 dias de idade e peso médio de 420,0±5,0g. O delineamento experimental utilizado foi inteiramente ao acaso, com seis tratamentos (cinco sojas integrais e uma ração referência) e oito repetições de seis aves. No segundo experimento, foram utilizados 288 frangos de corte machos da linhagem Cobb 500, com 24 dias de idade e peso médio de 865,0±20,0g. O delineamento experimental utilizado foi inteiramente ao acaso, com seis tratamentos (cinco sojas integrais e uma ração isenta de proteína à base de amido) e oito repetições de seis aves. Não houve diferença em relação aos teores de EMAn e de CEMAn (P>0,05) entre as sojas integrais. Os valores médios de EMAn, CEMAn situaram-se entre 3152 e 3399kcal/kg e 61,15 e 65,08%, respectivamente. No entanto, houve diferença (P<0,05) entre os CAE, CANE e CPB das sojas integrais, e a amostra cinco obteve os menores valores. Os valores médios para os CAE e CANE da soja integral são de 88,96% e 87,53%, respectivamente.(AU)

The goal of this paper was to determine the chemical composition, the energy values and the amino acid true ileal digestibility coefficients of toasted full-fat soybeans from 5 regions. In the first experiment, 288 chicken broilers from Cobb 500 lineage with 13 days old and average weight of 420.0±5.0g were used. The experimental design was completely randomized with 6 treatments (5 full-fat soybean diets and 1 basal diet) and 8 replicates of 6 birds. In the second experiment, 288 chicken broilers from Cobb 500 lineage with 24 days old and average weight of 865.0±20.0g were used. The experimental design was completely randomized with 6 treatments (5 full-fat soybean diets and 1 protein-free diet based on starch) and 8 replicates of 6 birds. There was no difference regarding the AMEn and AMECn contents (P>0.05) among the full-fat soybeans. The average values of AMEn, AMECn were between 3152-3399 kcal/kg and 61.15 to 65.08%, respectively. However, there were differences (P<0.05) between CEA, CENA and CPC of full-fat soybeans, and sample 5 obtained the lowest values. The average values for CEA and CENA of the full-fat soybean are 88.96% and 87.53%, respectively.(AU)

Avaliação nutricional e energética da soja integral tostada para frangos de corte / Nutritional and energetic evaluation of toasted full-fat soybean for broilers

Objetivou-se determinar a composição química, os valores energéticos e os coeficientes de digestibilidade ileal verdadeira de aminoácidos de sojas integrais tostadas de cinco regiões. No primeiro experimento, foram utilizados 288 pintos de corte machos da linhagem Cobb 500, com 13 dias de idade e peso médio de 420,0±5,0g. O delineamento experimental utilizado foi inteiramente ao acaso, com seis tratamentos (cinco sojas integrais e uma ração referência) e oito repetições de seis aves. No segundo experimento, foram utilizados 288 frangos de corte machos da linhagem Cobb 500, com 24 dias de idade e peso médio de 865,0±20,0g. O delineamento experimental utilizado foi inteiramente ao acaso, com seis tratamentos (cinco sojas integrais e uma ração isenta de proteína à base de amido) e oito repetições de seis aves. Não houve diferença em relação aos teores de EMAn e de CEMAn (P>0,05) entre as sojas integrais. Os valores médios de EMAn, CEMAn situaram-se entre 3152 e 3399kcal/kg e 61,15 e 65,08%, respectivamente. No entanto, houve diferença (P<0,05) entre os CAE, CANE e CPB das sojas integrais, e a amostra cinco obteve os menores valores. Os valores médios para os CAE e CANE da soja integral são de 88,96% e 87,53%, respectivamente.(AU)

The goal of this paper was to determine the chemical composition, the energy values and the amino acid true ileal digestibility coefficients of toasted full-fat soybeans from 5 regions. In the first experiment, 288 chicken broilers from Cobb 500 lineage with 13 days old and average weight of 420.0±5.0g were used. The experimental design was completely randomized with 6 treatments (5 full-fat soybean diets and 1 basal diet) and 8 replicates of 6 birds. In the second experiment, 288 chicken broilers from Cobb 500 lineage with 24 days old and average weight of 865.0±20.0g were used. The experimental design was completely randomized with 6 treatments (5 full-fat soybean diets and 1 protein-free diet based on starch) and 8 replicates of 6 birds. There was no difference regarding the AMEn and AMECn contents (P>0.05) among the full-fat soybeans. The average values of AMEn, AMECn were between 3152-3399 kcal/kg and 61.15 to 65.08%, respectively. However, there were differences (P<0.05) between CEA, CENA and CPC of full-fat soybeans, and sample 5 obtained the lowest values. The average values for CEA and CENA of the full-fat soybean are 88.96% and 87.53%, respectively.(AU)

Enzyme complex added to broiler diets: effects on performance, metabolizable energy content, and nitrogen and phosphorus balance

Two trials were performed to evaluate the effects of an enzyme complex (EC) on broiler performance, metabolizable energy, and phosphorus and nitrogen balance. In the first trial, 960 one-day-old male Cobb broilers were randomly distributed in a 3 x 2 factorial arrangement (three nutritional levels and the inclusion or not of EC), totaling six treatments with eight replicates of 20 birds per pen, and reared until 42 days of age. The control diet was formulated to meet the broilers' nutritional requirements. The other diets contained reduced available phosphorus (P), metabolizable energy, and amino acid levels, considering 100% and 150% of the EC nutritional matrix. The inclusion of the EC (200 g/ton) resulted in better broiler performance, improving weight gain in 4% and feed conversion ratio in 3% (p < 0.05). In the second trial, 240 male broilers were randomly distributed into the same treatments with eight replicates of five birds per cage. The method of total excreta collection was used. There was an interaction (p < 0.05) between diets and EC for P intake, nitrogen (N) intake, and N retention. The EC supplementation improved nitrogen-corrected apparent metabolizable energy values in 2.02% (p < 0.05). Significant effects were observed on phosphorus and nitrogen balance (p < 0.05). Phosphorus retention improved in 10.26%, nitrogen retention increased in 5.3%, while nitrogen excretion decreased in 3.3%. Based on the results of the present study, we recommend the addition of 200 g/t of the enzyme complex to broiler diets, considering nutrient reduction based on 100% of the EC nutritional matrix.

Enzyme complex added to broiler diets: effects on performance, metabolizable energy content, and nitrogen and phosphorus balance

Two trials were performed to evaluate the effects of an enzyme complex (EC) on broiler performance, metabolizable energy, and phosphorus and nitrogen balance. In the first trial, 960 one-day-old male Cobb broilers were randomly distributed in a 3 x 2 factorial arrangement (three nutritional levels and the inclusion or not of EC), totaling six treatments with eight replicates of 20 birds per pen, and reared until 42 days of age. The control diet was formulated to meet the broilers' nutritional requirements. The other diets contained reduced available phosphorus (P), metabolizable energy, and amino acid levels, considering 100% and 150% of the EC nutritional matrix. The inclusion of the EC (200 g/ton) resulted in better broiler performance, improving weight gain in 4% and feed conversion ratio in 3% (p < 0.05). In the second trial, 240 male broilers were randomly distributed into the same treatments with eight replicates of five birds per cage. The method of total excreta collection was used. There was an interaction (p < 0.05) between diets and EC for P intake, nitrogen (N) intake, and N retention. The EC supplementation improved nitrogen-corrected apparent metabolizable energy values in 2.02% (p < 0.05). Significant effects were observed on phosphorus and nitrogen balance (p < 0.05). Phosphorus retention improved in 10.26%, nitrogen retention increased in 5.3%, while nitrogen excretion decreased in 3.3%. Based on the results of the present study, we recommend the addition of 200 g/t of the enzyme complex to broiler diets, considering nutrient reduction based on 100% of the EC nutritional matrix.(AU)

Curcumin enhances the activity of fluconazole against Cryptococcus gattii-induced cryptococcosis infection in mice.

AIM: The aim of this study was to investigate the in vitro and in vivo activities of pure curcumin, as well as its combination with fluconazole, against Cryptococcus gattii. METHODS AND RESULTS: The minimal inhibitory concentrations (MIC) of curcumin and its interactions with fluconazole against C. gattii were assessed in vitro using standard methods. This same combination was used to treat C. gattii-induced cryptococcosis in mice. The behavioural and functional assessment of the mice during treatment was also performed. The average MIC for curcumin was 19·8 µg ml(-1) . Its combination with fluconazole resulted in FICΣ (fractional inhibitory concentration index) values between 0·79 and 2·29. Curcumin (alone or combined with fluconazole) significantly reduced pulmonary damage and fungal burden in the brain. No colonies were found in the brain following combination treatment, which was also confirmed by the improved behaviour of mice. CONCLUSIONS: The combination therapy with curcumin and fluconazole was the most effective among the treatments tested, as in addition to reducing the fungal burden and damage on lung tissues, it was able to eliminate the fungal burden in the brain, enhancing the survival of mice. SIGNIFICANCE AND IMPACT OF THE STUDY: This study points to the possibility of using curcumin in combination with fluconazole as a clinical treatment of cryptococcosis.

Topographic and biometric study of radial nerve branches to the muscles of the anterior compartment of the arm / Estudio topográfico y biométrico de los ramos del nervio radial para los músculos del compartimiento anterior del brazo

The radial nerve is a terminal branch of the brachial plexus that innervates the entire posterior compartment of the upper limb. Researches have shown that the branches can contribute to innervation of the muscles from the anterior compartment of the arm. This study sought to identify branches of radial nerve for brachialis and coracobrachialis muscles and its clinical value during surgery. Dissection was performed in 60 arms, from 30 corpses selected from the Human Anatomy Laboratories of Universidade Estadual de Ciências da Saúde de Alagoas (UNCISAL). In each arm, three segments of the same proportion were considered (proximal, middle and distal) in order to observe the number of radial nerve branches to brachialis and coracobrachialis muscles. Branches were identified in 4 of the 60 upper limb (6.66%) with the following distribution: nerve with 1 branch to the brachialis muscle in the distal third (1.66%); with 1 branch to the middle third of the coracobrachialis (1.66%) and 5 branches to the coracobrachialis muscle in the proximal third; 1 branch being found in an upper limb (1.66 %) and 4 branches in the other upper limb (1.66 %). The event was not bilaterally in the same body, and in four cases there was no branching, but only communication with other terminal nerves of the brachial plexus. In conclusion, although most authors do not describe the possibility of the occurrence of radial nerve branches to the muscles of the anterior compartment of the arm, this condition exists as an anatomical variation.

El nervio radial es un ramo terminal del plexo braquial que inerva el compartimiento posterior del miembro superior. Diversos estudios han mostrado que sus ramos pueden contribuir a la inervación de los músculos del compartimiento anterior del brazo. El presente estudio tuvo como objetivo identificar ramos del nervio radial dirigidos a los músculos braquial y coracobraquial y su importancia clínica durante las cirugías. Para ello, se disecaron 60 brazos de 30 cuerpos formolizados en los Laboratorios de Anatomía Humana de la Universidad Estadual de Ciencias de la Salud de Alagoas, Brasil (UNCISAL). En cada brazo, se consideraron tres partes de similares proporciones (proximal, medio y distal) para localizar los ramos dirigidos a los músculos mencionados. En 4 de los 60 brazos (6,66%) se identificaron ramos con la siguiente distribución: un ramo para el músculo braquial en el tercio distal (1,66%); un ramo para el tercio medio del músculo coracobraquial (1,66%) y cinco ramos para este mismo músculo en su tercio proximal; en otro miembro (1,66%)se encontró solo un ramo y en la otra muestra (1,66%) se encontraron cuatro ramos. Ninguno de los casos fue bilateral y en los cuatro casos no había ninguna ramificación. No hubo comunicación con el nervio musculocutáneo pero si con otros ramos del plexo braquial. Aunque la mayoría de los autores no describe la posibilidad de que el nervio radial inerve a los músculos anteriores del brazo, esta disposición existe como una variación anatómica.

Effects of Dietary L-Glutamine or L-Glutamine Plus L-Glutamic Acid Supplementation Programs on the Performance and Breast Meat Yield Uniformity of 42-d-Old Broilers

This study aimed at evaluating four dietary L-Glutamine (L-Gln) or L-Gln plus L-Glutamate (L-Glu) supplementation programs on the performance, breast yield, and uniformity of broilers. A total of 2,112 one-d-old male Cobb 500(r) broilers were distributed according to a randomized block design in a 2 × 4 factorial arrangement (L-Gln or L-Gln plus L-Glu × 4 supplementation programs), totaling eight treatments with 12 replicates of 22 broilers each. The supplementation programs consisted of the dietary inclusion or not of 0.4% of L-Gln or L-Gln plus L-Glu for four different periods: 0 days (negative control), 9d, 21d, and 42d. Feed intake (FI, g), body weight gain (BWG, g), feed conversion ratio (FCR, kg/kg), coefficient of variation of body weight (CV, %), body weight uniformity (UNIF, %), breast weight (BW, g), breast yield (BY, %), coefficient of variation of breast weight (CVB), breast uniformity (UNIFB), coefficient of variation of breast yield (CVBY), and breast yield uniformity (UNIFBY) were evaluated. Birds fed the diets treatments supplemented with L-Gln or L-Gln plus L-Glu for 9d presented 3% higher BWG (p<0.05) compared with the controls. The L-Gln or L-Gln plus L-Glu supplementation until broilers were 21 days old resulted in 14, 10, 16, and 12% improvements (p<0.05) in CV, UNIF, CVBY, UNIFBY, respectively. The supplementation of 0.4% L-Gln (L-Gln 99%) or L-Gln plus L-Glu (minimum 95%) to pre-starter and starter broiler diets is recommended to improve body weight gain and uniformity.

Effects of Dietary L-Glutamine or L-Glutamine Plus L-Glutamic Acid Supplementation Programs on the Performance and Breast Meat Yield Uniformity of 42-d-Old Broilers

This study aimed at evaluating four dietary L-Glutamine (L-Gln) or L-Gln plus L-Glutamate (L-Glu) supplementation programs on the performance, breast yield, and uniformity of broilers. A total of 2,112 one-d-old male Cobb 500(r) broilers were distributed according to a randomized block design in a 2 × 4 factorial arrangement (L-Gln or L-Gln plus L-Glu × 4 supplementation programs), totaling eight treatments with 12 replicates of 22 broilers each. The supplementation programs consisted of the dietary inclusion or not of 0.4% of L-Gln or L-Gln plus L-Glu for four different periods: 0 days (negative control), 9d, 21d, and 42d. Feed intake (FI, g), body weight gain (BWG, g), feed conversion ratio (FCR, kg/kg), coefficient of variation of body weight (CV, %), body weight uniformity (UNIF, %), breast weight (BW, g), breast yield (BY, %), coefficient of variation of breast weight (CVB), breast uniformity (UNIFB), coefficient of variation of breast yield (CVBY), and breast yield uniformity (UNIFBY) were evaluated. Birds fed the diets treatments supplemented with L-Gln or L-Gln plus L-Glu for 9d presented 3% higher BWG (p<0.05) compared with the controls. The L-Gln or L-Gln plus L-Glu supplementation until broilers were 21 days old resulted in 14, 10, 16, and 12% improvements (p<0.05) in CV, UNIF, CVBY, UNIFBY, respectively. The supplementation of 0.4% L-Gln (L-Gln 99%) or L-Gln plus L-Glu (minimum 95%) to pre-starter and starter broiler diets is recommended to improve body weight gain and uniformity.(AU)

One- and two-photon absorption of fluorescein dianion in water: a study using S-QM/MM methodology and ZINDO method.

One- and two-photon absorption (1PA and 2PA) of fluorescein dianion (FSD) in water were studied using a combined and sequential Quantum Mechanics/Molecular Dynamics methodology. Different sets of 250 statistically relevant (uncorrelated) configurations composed by the solute and several solvent molecules were sampled from the classical simulation. On these configurations, the electronic properties were calculated a posteriori using the Zerner's intermediate neglect of differential overlap (ZINDO) method. The linear and nonlinear absorption of FSD in water were calculated using discrete and explicit solvent models. In the largest case, the relevant configurations are composed by FSD and 47 explicit water molecules embedded in the electrostatic field of all remaining water molecules. Both INDO/CIS and INDO/CISD calculations were performed to study the absorption processes of FSD and the Sum-Over-States (SOS) model was used to describe the 2PA process. A semi-classical method for spectrum simulations was employed to simulate the 1PA and 2PA cross-section spectra of FSD in water. For comparison purposes, in the case of the 2PA process two approaches, the "full expression" and "resonant expression" methods, were employed to simulate the nonlinear spectrum. The last method assumes resonant conditions and on the computation point of view it represents an interesting option to study the 2PA process. The INDO/CI calculations give a satisfactory description of the 1PA spectrum of FSD and properly describe the unusual blue-shift of its first π→π(*) transition in water. In the case of 2PA, the introduction of doubly excited configuration interactions (INDO/CISD) has proven to be essential for an appropriate description of the process at the higher energy spectral region. It was observed that the solvent effects do not drastically change the cross-sections of both processes. The simulated 2PA cross-section spectrum provided by the "full expression" method presents a better definition of the bands which appear along the experimental spectrum than the one provided by the "resonant expression" method. However, both approaches provide similar description for the effect of the solvent environment on the 2PA process of FSD in water.

Hydroxyaldimines as potent in vitro anticryptococcal agents.

UNLABELLED: Cryptococcosis, a fungal infection that affects both immunocompromised and immunocompetent individuals, contributes to increasing indices of mortality and morbidity. The development of resistance by Cryptococcus spp., the limited number of commercial antifungal drugs and the various side effects of these drugs cause the treatment of cryptococcosis to be a challenge. The in vitro anticryptococcal activity of nine hydroxyaldimines was evaluated against 24 strains of Cryptococcus spp. Antifungal susceptibility was evaluated using a broth microdilution assay following the Clinical and Laboratory Standards Institute guidelines, using fluconazole as a positive control. Parameters such as the minimum inhibitory concentration and the minimum fungicidal concentration (MIC and MFC, respectively) were also determined. Antiproliferative activity on the normal cell line VERO was assessed 48 h post-compound exposure to determine the selectivity index (SI) of the hydroxyaldimines and fluconazole. All hydroxyaldimines were active against Cryptococcus spp. strains. Compounds 3A9 and 3B7 were the most potent against the Cryptococcus gattii and Cryptococcus neoformans strains. Selectivity indices also revealed that 3B10, 3C3, 3D3 and 3D9 are good candidates for in vivo studies. The in vitro anticryptococcal activity of hydroxyaldimines against various strains of C. gattii and C. neoformans indicates the potential of this class of molecules as lead compound for the development of selective and efficient anticryptococcal agents. SIGNIFICANCE AND IMPACT OF THE STUDY: The effectiveness of hydroxyaldimines for inhibition of Cryptococcus spp. growth and their low toxicity against healthy monkey kidney epithelial cells makes them promising lead compounds for the design of new anticryptococcal agents.

Experimental and theoretical study of two-photon absorption in nitrofuran derivatives: Promising compounds for photochemotherapy.

We report experimental and theoretical studies of the two-photon absorption spectrum of two nitrofuran derivatives: nitrofurantoine, (1-(5-nitro-2-furfurilideneamine)-hidantoine) and quinifuryl, 2-(5(')-nitro-2(')-furanyl)ethenyl-4-{N-[4(')-(N,N-diethylamino)-1(')-methylbutyl]carbamoyl} quinoline. Both molecules are representative of a family of 5-nitrofuran-ethenyl-quinoline drugs that have been demonstrated to display high toxicity to various species of transformed cells in the dark. We determine the two-photon absorption cross-section for both compounds, from 560 to 880 nm, which present peak values of 64 GM for quinifuryl and 20 GM for nitrofurantoine (1 GM = 1×10(-50)cm(4).s.photon(-1)). Besides, theoretical calculations employing the linear and quadratic response functions were carried out at the density functional theory level to aid the interpretations of the experimental results. The theoretical results yielded oscillator strengths, two-photon transition probabilities, and transition energies, which are in good agreement with the experimental data. A higher number of allowed electronic transitions was identified for quinifuryl in comparison to nitrofurantoine by the theoretical calculations. Due to the planar structure of both compounds, the differences in the two-photon absorption cross-section values are a consequence of their distinct conjugation lengths.

In vitro studies of anticandidal activity of goniothalamin enantiomers.

AIMS: The antifungal activity of (R)-goniothalamin (1) and (S)-goniothalamin (ent-1) was evaluated against six Candida species. The in vitro effect of these compounds on yeast adhesion to human buccal epithelial cells (BEC) and Candida albicans and C. dubliniensis biofilms progression were also investigated. METHODS AND RESULTS: Yeast susceptibility was evaluated by broth microdilution assay and showed that ent-1 exhibited higher potency against all fungal clinical isolated when compared to compound 1. Compounds 1 and ent-1 were as potent as fluconazole in inhibiting the adhesion of C. albicans and C. dubliniensis to BEC. XTT-reducing assay and scanning electron microscopy revealed that 1 and ent-1 were twice as potent as fluconazole in the inhibition of yeast biofilms progression. CONCLUSIONS: Our findings indicate that compounds 1 and ent-1 are potent anticandidal agents. SIGNIFICANCE AND IMPACT OF THE STUDY: This study highlights goniothalamin enantiomers as promising lead compounds for the design of new antifungal with inhibitory activity on yeast adhesion and biofilm progression.

Control of two-photon absorption in organic compounds by pulse shaping: spectral dependence.

In this work, we investigate the control of the two-photon absorption process of a series of organic compounds via spectral phase modulation of the excitation pulse. We analyzed the effect of the pulse central wavelength on the control of the two-photon absorption process for each compound. Depending on the molecules' two-photon absorption position relative to the excitation pulse wavelength, different levels of coherent control were observed. By simulating the two-photon transition probability in molecular systems, taking into account the band structure and its positions, we could explain the experimental results trends. We observed that the intrapulse coherent interference plays an important role in the nonlinear process control besides just the pulse intensity modulation.

Theoretical study of one- and two-photon absorption spectra of azoaromatic compounds.

In this study, the one- and two-photon absorption spectra of seven azoaromatic compounds (five pseudostilbenes-type and two aminoazobenzenes) were theoretically investigated using the density functional theory combined with the response functions formalism. The equilibrium molecular structure of each compound was obtained at three different levels of theory: Hartree-Fock, density functional theory (DFT), and Møller-Plesset 2. The effect of solvent on the equilibrium structure and the electronic transitions of the compounds were investigated using the polarizable continuum model. For the one-photon absorption, the allowed pi-->pi(*) transition energy showed to be dependent on the molecular structures and the effect of solvent, while the n-->pi(*) and pi-->pi(*)(n) transition energies exhibited only a slight dependence. An inversion between the bands corresponding to the pi-->pi(*) and n-->pi(*) states due to the effect of solvent was observed for the pseudostilbene-type compounds. To characterize the allowed two-photon absorption transitions for azoaromatic compounds, the response functions formalism combined with DFT using the hybrid B3LYP and PBE0 functionals and the long-range corrected CAM-B3LYP functional was employed. The theoretical results support the previous findings based on the three-state model. The model takes into account the ground and two electronic excited states and has already been used to describe and interpret the two-photon absorption spectrum of azoaromatic compounds. The highest energy two-photon allowed transition for the pseudostilbene-type compounds shows to be more effectively affected (approximately 20%) by the torsion of the molecular structure than the lowest allowed transition (approximately 10%). In order to elucidate the effect of the solvent on the two-photon absorption spectra, the lowest allowed two-photon transition (dipolar transition) for each compound was analyzed using a two-state approximation and the polarizable continuum model. The results obtained reveal that the effect of solvent increases drastically the two-photon cross-section of the dipolar transition of the pseudostilbene-type compounds. In general, the features of both one- and two-photon absorption spectra of the azoaromatic compounds are well reproduced by the theoretical calculations.

Curcumin as a promising antifungal of clinical interest.

OBJECTIVES: The antifungal activity of curcumin was evaluated against 23 fungi strains and its in vitro inhibitory effect on the adhesion of Candida species to human buccal epithelial cells (BEC) was also investigated. METHODS: The antifungal susceptibility was evaluated by broth microdilution assay following the CLSI (formerly the NCCLS) guidelines. The inhibitory effect of curcumin on the cell adhesion was performed with Candida species and BEC. RESULTS: Paracoccidioides brasiliensis isolates were the most susceptible to curcumin while the growth of Aspergillus isolates was not affected. Curcumin was much more efficient than fluconazole in inhibiting the adhesion of Candida species to BEC, particularly those strains isolated from the buccal mucosa of AIDS patients. CONCLUSIONS: The lack of antifungal compounds with reduced side effects highlights the importance of studying natural products for this purpose. Curcumin was a more potent antifungal than fluconazole against P. brasiliensis, the causal agent of the neglected disease paracoccidioidomycosis. Curcumin dramatically inhibited the adhesion of Candida species isolated from AIDS patients to BEC, demonstrating that curcumin is a promising lead compound that warrants further investigation into its therapeutical use in immunocompromised patients.