Sugarcane cultivars present differential susceptibility to herbicides ametryn and trifloxysulfuron-sodium.

Weed management in Brazilian sugarcane fields is accomplished mainly with herbicides. These chemical products may negatively impact sugarcane growth and development. Therefore, we aimed this study to evaluate the influence of the selective herbicides ametryn, trifloxysulfurom-sodium and its commercially available mixture on the growth of sugarcane cultivars. The experiment was conducted under greenhouse condition in a completely randomized design, using a 3×3×4 factorial scheme with four replications. Factor A comprised sugarcane cultivars (SP80-1816, RB855113 and RB867515); factor B herbicides ametryn (Metrimex®), trifloxysulfuron-sodium (Envoke®) and its mixture (Krismat®), and factor C the doses (0.0, 0.5x, 1.0x and 3.0x the label dose), where 1.0x dose= 2,000gha-1 for ametryn; 22.5gha-1 for trifloxysulfuron-sodium and 1, 463+37.0gha-1 for the mixture. Crop toxicity was assessed 28 days after herbicide application and traits such as plant height, number of leaves per plant, stalk diameter, leaf area index, specific leaf area and crop growth rate were assessed 80 days after crop emergence. The results showed that trifloxysulfuron-sodium causes lower impact on all variables; therefore, being more selective to all cultivars. The label dose (1.0x), equivalent to 2,000 gha-1 of ametryn and 22.5 gha-1 of trifloxysulfuron- sodium is considered as a threshold between deficient weed control (in lower doses) and excessive crop toxicity (in higher doses). RB867515 and RB855113, respectively, were the most and least tolerant cultivars to both herbicides. In highly infested planting fields, farmers usually prefer to grow the most tolerant sugarcane cultivar when applying ametryn or trifloxysulfurom sodium

Influência de herbicidas na atividade fotossintética de genótipos de cana-de-açúcar

Objetivou-se com este trabalho avaliar em campo os efeitos de herbicidas sobre a atividade fotossintética de genótipos de cana-de-açúcar. Para isso, foi realizado um experimento em blocos casualizados, em parcelas subdivididas, com quatro repetições. Nas parcelas principais alocaram-se os herbicidas ametryn (2.000 g ha-1), trifloxysulfuron-sodium (22,5 g ha 1), a mistura de ametryn + trifloxysulfuron-sodium (1.463 + 37,0 g ha-1) e uma testemunha capinada. Nas subparcelas foram avaliados seis genótipos de cana-de-açúcar (RB72454, RB835486, RB855113, RB867515, RB947520 e SP80-1816). Aos 70 dias após o plantio e 15 dias após a aplicação dos herbicidas, foram realizadas as avaliações da taxa de fluxo de gases pelos estômatos (U - μmol s-1), concentração de CO2 subestomática (Ci = μmol mol-1), taxa fotossintética (A - μmol m 2 s-1) e CO2 consumido (ΔC - μmol mol-1), na primeira folha da cana-de-açúcar com a lígula visível (dewlap visível). O ametryn causou danos significativos nas características fisiológicas ligadas à atividade fotossintética da cana-de-açúcar, em comparação com o trifloxysulfuron-sodium. Os genótipos de cana-de-açúcar apresentam sensibilidade diferencial aos herbicidas. Os mais suscetíveis ao ametryn foram o RB835486 e RB867515, e os mais tolerantes, o RB72454, RB855113, RB947520 e SP80-1816. Quanto às características avaliadas, não se observou diferença entre os genótipos tratados com o trifloxysulfuron-sodium e a mistura de ametryn + trifloxysulfuron-sodium.The objective of this study was to evaluate the effects of herbicides on the photosynthetic activity of sugarcane genotypes, under field conditions. An experiment was arranged in a randomized block design with split-plots and four replications.The following herbicides were allocated in the main plot: ametryn (2.000 g ha-1), trifloxysulfuron-sodium (22.5 g ha-1), mixture of ametryn + trifloxysulfuron-sodium (1,463 + 37 g ha-1) and a hoed treatment without herbicide. In the subplots, six sugarcane genotypes (RB72454, RB835486, RB855113, RB867515, RB947520 and SP80-1816) were allocated. At 70 days after planting and 15 days after herbicide application, evaluations of stomatal gas flow rate (U - μmol s-1), sub-stomatal CO2 concentration (Ci - μmol mol-1) , photosynthetic rate (A - μmol m-2 s-1) and CO2 consumed (ΔC - μmol mol-1) were conducted on the first plant leaf with visible ligule. Ametryn caused significant damage to the physiological characteristics related to sugarcane photosynthetic activity compared to the trifloxysulfuron-sodium. Sugarcane genotypes show differential sensitivity to herbicide treatments, with the most susceptible to ametryn being RB835486 and RB867515, and the most tolerant RB72454, RB855113, RB947520, SP80-1816 and RB867515. Regarding the evaluated characteristics, there was no difference between the genotypes treated with trifloxysulfuron- sodium and the mixture of ametryn + trifloxysulfuron-sodium

Coarse-Graining Protein Structures With Local Multivariate Features from Molecular Dynamics

A multivariate statistical theory, local feature analysis (LFA), extracts functionally relevant domains from molecular dynamics (MD) trajectories. The LFA representations, like those of principal component analysis (PCA), are low dimensional and provide a reduced basis set for collective motions of simulated proteins, but the local features are sparsely distributed and spatially localized, in contrast to global PCA modes. One key problem in the assignment of local features is the coarse-graining of redundant LFA output functions by means of seed atoms. One can solve the combinatorial problem by adding seed atoms one after another to a growing set, minimizing a reconstruction error at each addition. This allows for an efficient implementation, but the sequential algorithm does not guarantee the optimal mutual correlation of the sequentially assigned features. Here, we present a novel coarse-graining algorithm for proteins that directly minimizes the mutual correlation of seed atoms by Monte Carlo (MC) simulations. Tests on MD trajectories of two biological systems, bacteriophage T4 lysozyme and myosin II motor domain S1, demonstrate that the new algorithm provides statistically reproducible results and describes functionally relevant dynamics. The well-known undersampling of large-scale motion by short MD simulations is apparent also in our model, but the new coarse-graining offers a major advantage over PCA; converged features are invariant across multiple windows of the trajectory, dividing the protein into converged regions and a smaller number of localized, undersampled regions. In addition to its use in structure classification, the proposed coarse-graining thus provides a localized measure of MD sampling efficiency

Antitumor activity against murine lymphoma L5178Y model of proteins from cacao (Theobroma cacao L.) seeds in relation with in vitro antioxidant activity

<p>Abstract</p> <p>Background</p> <p>Recently, proteins and peptides have become an added value to foodstuffs due to new knowledge about its structural analyses as related to antioxidant and anticancer activity. Our goal was to evaluate if protein fractions from cacao seeds show antitumor activity on lymphoma murine L5178Y model. The antioxidant activity of these fractions was also evaluated with the aim of finding a correlation with the antitumor activity.</p> <p>Methods</p> <p>Differential extraction of proteins from unfermented and semi-fermented-dry cacao seeds was performed and characterized by SDS-PAGE and FPLC size-exclusion chromatography. Antitumor activity was evaluated against murine lymphoma L5178Y in BALB/c mice (6 × 10⁴cells i.p.), with a treatment oral dose of 25 mg/kg/day of each protein fraction, over a period of 15 days. Antioxidant activity was evaluated by the ABTS⁺and ORAC-FL assays.</p> <p>Results</p> <p>Albumin, globulin and glutelin fractions from both cacao seed type were obtained by differential solubility extraction. Glutelins were the predominant fraction. In the albumin fraction, polypeptides of 42.3 and 8.5 kDa were found in native conditions, presumably in the form of two peptide chains of 21.5 kDa each one. The globulin fraction presented polypeptides of 86 and 57 kDa in unfermented cacao seed that produced the specific-cacao aroma precursors, and after fermentation the polypeptides were of 45 and 39 kDa. The glutelin fraction presented proteins >200 kDa and globulins components <100 KDa in lesser proportion. Regarding the semifermented-dry cacao seed, it was observed that the albumin fraction showed antitumoral activity, since it caused significant decreases (p < 0.05) in the ascetic fluid volume and packed cell volume, inhibiting cell growth in 59.98 ± 13.6% at 60% of the population; while the greatest antioxidant capacity due to free radical scavenging capacity was showed by the albumin and glutelin fraction in both methods assayed.</p> <p>Conclusion</p> <p>This study is the first report on the biological activity of semifermented-dry cacao protein fractions with their identification, supporting the traditional use of the plant. The albumin fraction showed antitumor and free radical scavenging capacity, however both activities were not correlated. The protein fractions could be considered as source of potential antitumor peptides.</p

Independent-Trajectories Thermodynamic-Integration Free-Energy Changes for Biomolecular Systems: Determinants of H5N1 Avian Influenza Virus Neuraminidase Inhibition by Peramivir

Free-energy changes are essential physicochemical quantities for understanding most biochemical processes. Yet, the application of accurate thermodynamic-integration (TI) computation to biological and macromolecular systems is limited by finite-sampling artifacts. In this paper, we employ independent-trajectories thermodynamic-integration (IT-TI) computation to estimate improved free-energy changes and their uncertainties for (bio)molecular systems. IT-TI aids sampling statistics of the thermodynamic macrostates for flexible associating partners by ensemble averaging of multiple, independent simulation trajectories. We study peramivir (PVR) inhibition of the H5N1 avian influenza virus neuraminidase flexible receptor (N1). Binding site loops 150 and 119 are highly mobile, as revealed by N1-PVR 20-ns molecular dynamics. Due to such heterogeneous sampling, standard TI binding free-energy estimates span a rather large free-energy range, from a 19% underestimation to a 29% overestimation of the experimental reference value (−62.2 ± 1.8 kJ mol−1). Remarkably, our IT-TI binding free-energy estimate (−61.1 ± 5.4 kJ mol−1) agrees with a 2% relative difference. In addition, IT-TI runs provide a statistics-based free-energy uncertainty for the process of interest. Using ∼800 ns of overall sampling, we investigate N1-PVR binding determinants by IT-TI alchemical modifications of PVR moieties. These results emphasize the dominant electrostatic contribution, particularly through the N1 E277−PVR guanidinium interaction. Future drug development may be also guided by properly tuning ligand flexibility and hydrophobicity. IT-TI will allow estimation of relative free energies for systems of increasing size, with improved reliability by employing large-scale distributed computing

"Delirium Day": A nationwide point prevalence study of delirium in older hospitalized patients using an easy standardized diagnostic tool

Background: To date, delirium prevalence in adult acute hospital populations has been estimated generally from pooled findings of single-center studies and/or among specific patient populations. Furthermore, the number of participants in these studies has not exceeded a few hundred. To overcome these limitations, we have determined, in a multicenter study, the prevalence of delirium over a single day among a large population of patients admitted to acute and rehabilitation hospital wards in Italy. Methods: This is a point prevalence study (called "Delirium Day") including 1867 older patients (aged 65 years or more) across 108 acute and 12 rehabilitation wards in Italian hospitals. Delirium was assessed on the same day in all patients using the 4AT, a validated and briefly administered tool which does not require training. We also collected data regarding motoric subtypes of delirium, functional and nutritional status, dementia, comorbidity, medications, feeding tubes, peripheral venous and urinary catheters, and physical restraints. Results: The mean sample age was 82.0 \ub1 7.5 years (58 % female). Overall, 429 patients (22.9 %) had delirium. Hypoactive was the commonest subtype (132/344 patients, 38.5 %), followed by mixed, hyperactive, and nonmotoric delirium. The prevalence was highest in Neurology (28.5 %) and Geriatrics (24.7 %), lowest in Rehabilitation (14.0 %), and intermediate in Orthopedic (20.6 %) and Internal Medicine wards (21.4 %). In a multivariable logistic regression, age (odds ratio [OR] 1.03, 95 % confidence interval [CI] 1.01-1.05), Activities of Daily Living dependence (OR 1.19, 95 % CI 1.12-1.27), dementia (OR 3.25, 95 % CI 2.41-4.38), malnutrition (OR 2.01, 95 % CI 1.29-3.14), and use of antipsychotics (OR 2.03, 95 % CI 1.45-2.82), feeding tubes (OR 2.51, 95 % CI 1.11-5.66), peripheral venous catheters (OR 1.41, 95 % CI 1.06-1.87), urinary catheters (OR 1.73, 95 % CI 1.30-2.29), and physical restraints (OR 1.84, 95 % CI 1.40-2.40) were associated with delirium. Admission to Neurology wards was also associated with delirium (OR 2.00, 95 % CI 1.29-3.14), while admission to other settings was not. Conclusions: Delirium occurred in more than one out of five patients in acute and rehabilitation hospital wards. Prevalence was highest in Neurology and lowest in Rehabilitation divisions. The "Delirium Day" project might become a useful method to assess delirium across hospital settings and a benchmarking platform for future surveys