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1.
J Sci Food Agric ; 98(5): 1839-1849, 2018 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-28885688

RESUMO

BACKGROUND: The objective of this study was to compare the overall quality changes of minimally processed cactus pears cvs 'Bianca', Gialla' and 'Rossa' stored at 4 °C for 10 days. Periodically in-package CO2 , O2 and C2 H4 were determined and fruit were assessed for overall quality changes (pH, acidity, sugars, phenolics, betacyanins and betaxanthines, antioxidant capacity, colour, firmness, microbiological population and sensory attributes). In a preliminary study three different polymeric films were tested to select the most suitable to design a package with a short lag time to achieve steady-state conditions. RESULTS: Results showed marked differences between measured in-package CO2 and O2 values and those calculated based on respiration of peeled fruit and film permeance to CO2 and O2 provided by manufactures. The sensory evaluation of packed fruit indicated in film BBT-Bolphane, which created a steady-state in-package partial pressure for CO2 of 4.3-4.8 kPa and for O2 of 4.8-5.5 kPa, as the best film. Results of in-package gas composition with the three cultivars were similar to those achieved in cv. 'Gialla' with the preliminary test. All measured qualitative parameters changed slightly over the storage period for all cultivars and followed the same trend, despite significant differences existing among cultivars. CONCLUSION: This study clearly showed a similar physiological behavior of minimally processed 'Bianca', 'Gialla' and 'Rossa' cactus pears. Storage conditions optimal for one cultivar fit well for the others; thus mixing fruit of different cultivars in a package designed for one specific cultivar does not lead to relevant deviation from expected results. © 2017 Society of Chemical Industry.


Assuntos
Cactaceae/química , Suplementos Nutricionais/análise , Conservação de Alimentos/métodos , Frutas/química , Antioxidantes/análise , Bactérias/classificação , Bactérias/genética , Bactérias/crescimento & desenvolvimento , Bactérias/isolamento & purificação , Cactaceae/microbiologia , Cor , Armazenamento de Alimentos , Frutas/microbiologia , Humanos , Fenóis/análise , Paladar
2.
Nanoscale Adv ; 3(10): 2948-2960, 2021 May 18.
Artigo em Inglês | MEDLINE | ID: mdl-36134198

RESUMO

Fluorescent atomically precise Ag38(11-azido-2-ol-undecane-thiolate)24 nanoclusters are easily prepared using sodium ascorbate as a "green" reducer and are extensively characterized by way of elemental analyses, ATR-FTIR, XRD, SAXS, UV-vis, fluorescence spectroscopies, and theoretical modeling. The fluorescence and the atomically determined stoichiometry and structure, the facile and environmentally green synthesis, together with the novel presence of terminal azido groups in the ligands which opens the way to "click"-binding a wide set of molecular species, make Ag38(11-azido-2-ol-undecane-thiolate)24 nanoclusters uniquely appealing systems for biosensing, recognition and functionalization in biomedicine applications and in catalysis.

3.
Food Res Int ; 134: 109248, 2020 08.
Artigo em Inglês | MEDLINE | ID: mdl-32517910

RESUMO

The effectiveness of passive modified atmosphere packaging (MAP) on chemical and quality properties of calendula flowers was studied during ten days of storage at 5 °C. Weight loss of flowers wrapped with continuous and micro-perforated-films (2-3%), was significantly lower than control (unwrapped flowers) (about 30%) and those wrapped with macro-perforated film (about 7%). At the end of storage unwrapped flowers were judged unmarketable being severely wilted and shriveled, while all packaged ones were still fresh and marketable. On day 10, the fructose concentration of control flowers decreased by 74%. Continuous and micro-perforated films delayed the decline of fructose concentration over storage. Sucrose concentration decreased with storage in control flowers, while in continuous film wrapped flowers it increased. After 10 d of storage, the total phenols' concentration of all packaged flowers was significantly higher than control and similar to the initial value (2.58 ± 0.02 g 100 g-1 d.w.). Thirteen carotenoids were identified by HPLC-MS. The initial ß carotene concentration (65.72 ± 0.09 mg 100 g-1 d.w.) did not change in flowers wrapped with macro- and micro-perforated films, in contrast to the other treatments. Lycopene concentration strongly decreased in control flowers, while minor losses occurred in packaged ones. Laser micro-perforated film, being a good compromise between humidity retention inside the packages and the permeability of the film, seems to be the best choice to extend the storage life of calendula flowers.


Assuntos
Calendula , Embalagem de Alimentos , Atmosfera , Carotenoides/análise , Suplementos Nutricionais
4.
J Phys Chem A ; 113(52): 14813-7, 2009 Dec 31.
Artigo em Inglês | MEDLINE | ID: mdl-19788293

RESUMO

In this contribution, using first principles calculations within a density functional theory framework, we report, for the first time, evidence for the formation of a fourfold magnesium organometallic compound upon metal deposition on perylene-3,4,9,10-tetracarboxyl dianhydride (PTCDA) organic semiconductor. Current investigation clearly indicates that in the bulk of the organic crystallographic structure the magnesium atom mainly interacts with three PTCDA molecules. The reactive metal is bound both to carboxylic oxygen atoms of the anhydride-end moieties and to a perylene carbon atom which changes its hybridization state, from sp(2) to sp(3), in the presence of metal impurities. In turn, the analysis of the electronic structure of the reacted system prevalently reveals the formation of four covalent bonds, as a consequence of a weak charge transfer toward the organic material. Such a result confirms the capability of the PTCDA thin films to host metal atoms providing, inside their structural empty channels, a rather accessible and soft chemical environment. Interestingly, in the light of these findings and of previous works, a relationship between first ionization potential of the doping metal and the character of the newly formed chemical bonds is confirmed.

5.
Front Chem ; 7: 348, 2019.
Artigo em Inglês | MEDLINE | ID: mdl-31165061

RESUMO

The study of transition metal coordination complexes has played a key role in establishing quantum chemistry concepts such as that of ligand field theory. Furthermore, the study of the dynamics of their excited states is of primary importance in determining the de-excitation path of electrons to tailor the electronic properties required for important technological applications. This work focuses on femtosecond transient absorption spectroscopy of Cobalt tris(acetylacetonate) (Co(AcAc)3) in solution. The fast transient absorption spectroscopy has been employed to study the excited state dynamics after optical excitation. Density functional theory coupled with the polarizable continuum model has been used to characterize the geometries and the electronic states of the solvated ion. The excited states have been calculated using the time dependent density functional theory formalism. The time resolved dynamics of the ligand to metal charge transfer excitation revealed a biphasic behavior with an ultrafast rise time of 0.07 ± 0.04 ps and a decay time of 1.5 ± 0.3 ps, while the ligand field excitations dynamics is characterized by a rise time of 0.07 ± 0.04 ps and a decay time of 1.8 ± 0.3 ps. Time dependent density functional theory calculations of the spin-orbit coupling suggest that the ultrafast rise time can be related to the intersystem crossing from the originally photoexcited state. The picosecond decay is faster than that of similar cobalt coordination complexes and is mainly assigned to internal conversion within the triplet state manifold. The lack of detectable long living states (>5 ps) suggests that non-radiative decay plays an important role in the dynamics of these molecules.

6.
J Phys Chem B ; 112(10): 3184-92, 2008 Mar 13.
Artigo em Inglês | MEDLINE | ID: mdl-18288829

RESUMO

In this paper, by using the perturbed matrix method (PMM) in combination with basic statistical mechanical relations both based on nanosecond time-scale molecular dynamics (MD) simulations, we quantitatively address the thermodynamics of compound 0 (Cpd 0) formation in horseradish peroxidase (HRP) enzyme. Our results, in the same trend of low-temperature experimental data, obtained in cryoenzymology studies indicate that such a reaction can be described essentially as a stepwise spontaneous process: a first step mechanically constrained, strongly exothermic proton transfer from the heme-H2O2 complex to the conserved His42, followed by a solvent-protein relaxation involving a large entropy increase. Critical evaluation of PMM/MD data also reveals the crucial role played by specific residues in the reaction pocket and, more in general, by the conformational fluctuations of the overall environment in physiological conditions.


Assuntos
Peroxidase do Rábano Silvestre/química , Peroxidase do Rábano Silvestre/metabolismo , Modelos Biológicos , Termodinâmica , Simulação por Computador , Modelos Moleculares , Estrutura Molecular
7.
J Phys Chem B ; 112(13): 3963-70, 2008 Apr 03.
Artigo em Inglês | MEDLINE | ID: mdl-18327933

RESUMO

The adsorption of a single molecule of the D-enantiomer of alaninol (2-amino-1-propanol) on the surface of Cu(100) is investigated through density functional theory calculations. Different possible adsorption sites for D-alaninol are tested, and it is found that the most stable configuration presents both amino and hydroxyl group covalently interacting with "on top" copper atoms. The electronic structure is analyzed in detail and compared with experimental photoelectron spectra. Another adsorption structure in which a dehydrogenation process is assumed to occur on the amino group is analyzed and provides a possible explanation of the valence band electronic structure and of the experimentally observed N 1s core-level shift at full coverage, where a self-assembled ordered chiral monolayer is formed on the copper surface.


Assuntos
Simulação por Computador , Cobre/química , Modelos Químicos , Propanolaminas/química , Adsorção , Análise Espectral/métodos , Estereoisomerismo , Propriedades de Superfície
8.
J Agric Food Chem ; 56(2): 455-60, 2008 Jan 23.
Artigo em Inglês | MEDLINE | ID: mdl-18163539

RESUMO

The present study investigated the influence of a hot water dip (HWD) for 2 min at 50 degrees C, a standard and effective treatment for postharvest decay control of citrus fruit, on the nutritional and health-related properties of kumquats. The results show that most of the parameters examined, including titratable acidity, soluble solids content, maturity index, glucose, fructose, sucrose, ascorbic acid, dehydroascorbic acid, alpha- and gamma-tocopherols, beta-carotene, zeaxantin, rhoifolin, and antioxidant activity, were not significantly affected by treatment. The levels of beta-cryptoxanthin, narirutin, and total flavonoids increased after HWD, whereas lutein and total phenols decreased. The concentration of the essential oil and the relative percentage of the individual components of the essential oil were not affected by HWD except for the minor compound p-menta-1,5-dien-1-ol, which increased after HWD. After storage, lower levels of glucose, total sugars, beta-carotene, beta-cryptoxanthin and lutein were recorded in HWD fruit. A decrease in antioxidant activity and increases in alpha-tocopherol and total vitamin E were found both in control and HWD fruit. The influence of HWD at 50 degrees C for 2 min on individual nutraceuticals and health-related properties was thus generally low and may depend on storage conditions.


Assuntos
Frutas/química , Temperatura Alta , Rutaceae/química , Água , Carotenoides/análise , Flavonoides/análise , Conservação de Alimentos/métodos , Valor Nutritivo , Óleos Voláteis/análise , Fenóis/análise , Tocoferóis/análise
9.
Plant Physiol Biochem ; 45(5): 341-9, 2007 May.
Artigo em Inglês | MEDLINE | ID: mdl-17481911

RESUMO

With the aim to investigate the role of the polyuronic components in the accumulation of iron and phosphate at the soil-root interface, the interactions of Ca-polygalacturonates (PGAs) with Fe(III) and P ions and of Fe(III)-Ca-polygalacturonates (Fe-PGAs) with P ions were studied at pH 4.7. The role of citric, malic and pyruvic acids in the mobilization of Fe(III) and P, in the presence and absence of Ca(II) 2.5mM, was also investigated. The sorption kinetics evidenced that P diffuses freely through the calcium polysaccharidic matrix whereas Fe(III) accumulates as an hydroxypolymer. The sorption kinetics of P by the Fe-PGA indicated that the amount of P sorbed increases with increasing its initial concentration up to a constant value equal to 0.98micromol/3.87micromolmg(-1) of Fe(III)-polymer trapped. The FT-IR spectra of the P-Fe-PGA systems, show bands attributable to P-O(H) stretching vibrations. The study of systems with a constant initial P amount and varying Fe(III) amounts allowed to hypothesize that phosphate settles down inside holes formed by the carboxylate groups of galacturonic units. Citric and malic acids showed to be active in the mobilization of both Fe and P whereas pyruvic acid appeared inactive.


Assuntos
Ferro/metabolismo , Fosfatos/metabolismo , Raízes de Plantas/metabolismo , Solo/análise , Ácidos Urônicos/metabolismo , Configuração de Carboidratos , Ácido Cítrico/química , Ferro/química , Cinética , Malatos/química , Pectinas/química , Fosfatos/química , Ácido Pirúvico/química , Fatores de Tempo
10.
J Agric Food Chem ; 55(3): 825-31, 2007 Feb 07.
Artigo em Inglês | MEDLINE | ID: mdl-17263481

RESUMO

Mature apricots (Prunus armeniaca), nectarines [Prunus persica var. nectarine (Ait.)], and peaches [P. persica (L.) Batsch.] were subjected to a 2 min dip treatment with warm water at 48 degrees C or with fludioxonil (FLU) at 100 mg L-1 and 20 degrees C or at 25 mg L-1 FLU and 48 degrees C and then stored at 5 degrees C and 90-95% relative humidity (RH) for 1 week plus 1 additional week at 18 degrees C and approximately 80% RH. Fruit residue uptake was determined as a function of fungicide concentration, dip temperature, treatment time (only on nectarines), and fruit storage conditions. FLU residue level was closely related to fungicide concentration and treatment temperatures and was dependent on fruit species. FLU residues showed great persistence over both storage and shelf life. Fruit dipping in water at 48 degrees C effectively reduced decay development in cvs. 'May Grand' nectarines and 'Pelese' apricots but was ineffective in cvs. 'Red Top' and 'Sun Crest' nectarines during 7 days of storage compared with nontreated fruit. Decay rates in cvs. 'Glo Haven' peaches and 'Fracasso' apricots were very low in fruit dipped in water at both 20 and 48 degrees C. Fungicide treatments at 20 and 48 degrees C resulted in the total or almost total suppression of decay in all cultivars. During shelf life, fruit became very prone to decay, averaging 25.7-100% depending on the cultivar. Fruit dipping in hot water effectively reduced decay in 'Pelese' and 'Fracasso' apricots, 'Sun Crest' peaches, and 'May Grand' nectarines as compared to control, but was ineffective in 'Glo Haven' and 'Red Top' peaches. Fungicide treatments at 20 degrees C were more effective than hot water in most cultivars. The combination of FLU with water at 48 degrees C further improved the fungicide performance. Indeed, reduced levels (a fourth) of active ingredient were required to achieve a control of decay comparable to that for treatment at 20 degrees C. Residue levels in fruit after treatment with 100 mg L-1 FLU at 20 degrees C or with 25 mg L-1 FLU at 48 degrees C averaged approximately 0.6-2 mg kg-1, which were notably lower than the maximum residue limit (5 mg kg-1) allowed in the United States for stone fruit.


Assuntos
Dioxóis/administração & dosagem , Dioxóis/análise , Conservação de Alimentos/métodos , Frutas/química , Fungicidas Industriais/administração & dosagem , Fungicidas Industriais/análise , Pirróis/administração & dosagem , Pirróis/análise , Resíduos de Drogas/análise , Prunus/química , Fatores de Tempo
11.
J Agric Food Chem ; 54(13): 4721-6, 2006 Jun 28.
Artigo em Inglês | MEDLINE | ID: mdl-16787020

RESUMO

The influence of fungicide concentration and treatment temperature on residue levels of pyrimethanil (PYR) in comparison with the commonly used fungicide imazalil (IMZ) was investigated in orange fruits following postharvest dip treatments. The dissipation rate of PYR residues was recorded as a function of storage conditions. The fungicide efficacy against green and blue molds caused by Penicillium digitatum and Penicillium italicum, respectively, was evaluated on different citrus varieties following the fungicide application at 20 or 50 degrees C. Residue levels of PYR in Salustiana oranges were significantly correlated with the fungicide dosage, but residue concentrations were notably higher (ca. 13-19-fold) after treatment at 50 degrees C as compared to treatments at 20 degrees C. After treatment at temperatures ranging from 20 to 60 degrees C, PYR and IMZ residues in Salustiana oranges were significantly correlated with dip temperatures. Dissipation rates of PYR during storage were negligible in both Salustiana and Tarocco oranges. Results obtained on wounded, noninoculated Miho satsumas revealed that when treatments were performed at 50 degrees C, PYR or IMZ concentrations needed to achieve the complete control of decay were 8- and 16-fold less than by treatment at 20 degrees C. When fruits were inoculated with either P. digitatum or P. italicum, the application of 400 mg L(-1) PYR at 20 degrees C or 100 mg L(-1) PYR at 50 degrees C similarly reduced green and blue mold development. These results were corroborated by storage trials on Marsh grapefruits and Tarocco oranges. The lowest concentration of PYR required to achieve almost total protection of the fruit against decay accounted for 100 mg L(-1) at 50 degrees C and 400 mg L(-1) at 20 degrees C, respectively. Treatments did not affect fruit external appearance, flavor, and taste. It is concluded that postharvest PYR treatment represents an effective option to control green and blue mold in citrus fruit and that integration of fungicide applications and hot water dips may reduce the possibility of selecting fungicide-resistant populations of the pathogen, as a consequence of increased effectiveness of the treatment.


Assuntos
Citrus sinensis/microbiologia , Frutas/microbiologia , Fungicidas Industriais/administração & dosagem , Imidazóis/análise , Penicillium/efeitos dos fármacos , Pirimidinas/análise , Conservação de Alimentos , Frutas/química , Fungicidas Industriais/análise , Temperatura Alta , Imidazóis/administração & dosagem , Resíduos de Praguicidas/análise , Pirimidinas/administração & dosagem
12.
J Food Prot ; 69(7): 1646-52, 2006 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-16865899

RESUMO

The effectiveness of postharvest dip treatment with trifloxystrobin (TFX) or imazalil (IMZ) was compared for controlling green and blue mold (caused by Penicillium digitatum and Penicillium italicum, respectively) of citrus fruit. Residues retained by fruit were determined as a function of treatment time, dip temperature, and storage conditions. Trials on 'Avana apireno' mandarin oranges artificially inoculated with P. digitatum or P. italicum revealed that treatments with 200 to 600 mg/liter active ingredient TFX at 20 degrees C were less effective than 100 mg/liter TFX at 500C for controlling P. digitatum but equally effective for controlling P. italicum. IMZ treatments with 200 mg/liter IMZ at 20 degrees C or 25 mg/liter IMZ at 50 degrees C resulted in more than 98% reduction of P. digitatum and ca. 93% reduction of P. italicum compared with untreated fruit. Total suppression of pathogens was achieved when higher IMZ doses were applied. Studies on artificially wounded lemons, oranges, clementines, and mandarins revealed that treatment with 100 mg/liter TFX at 50 degrees C effectively controlled decay development (mainly due to P. digitatum) after 7 days of storage at 20 degrees C. These results were confirmed on nonwounded oranges of cv. Tarocco and on grapefruits of cvs. Marsh Seedless and Star Ruby during 3 weeks of simulated quarantine at 1 degrees C, storage (5 weeks at 8 degrees C for oranges and 8 weeks at 11degrees C for grapefruits), and an additional 1 week of simulated marketing conditions at 20 degrees C. IMZ at 50 degrees C was highly effective for controlling decay during storage and the simulated marketing period. TFX treatment at 50 degrees C was as effective as IMZ for controlling decay in most samples. After treatment with 100 mg/liter TFX at 20 degrees C, fungicide residues in 'Tarocco' oranges doubled from 0.15 mg/kg to 0.30 mg/kg when dip time increased from 0.5 to 3 min, whereas when treatments were performed at 50 degrees C TFX residues were not related to dipping time. Residues of TFX were significantly correlated with dip temperature. A 3-min dip treatment at 50 degrees C resulted in a deposition of TFX that was approximately twofold higher than that obtained when treatments were carried out at 20 degrees C.


Assuntos
Acetatos/farmacologia , Citrus/química , Manipulação de Alimentos/métodos , Fungicidas Industriais/farmacologia , Iminas/farmacologia , Penicillium/efeitos dos fármacos , Resíduos de Praguicidas/análise , Acetatos/análise , Citrus/microbiologia , Contagem de Colônia Microbiana , Qualidade de Produtos para o Consumidor , Conservação de Alimentos/métodos , Fungicidas Industriais/análise , Humanos , Imidazóis/análise , Imidazóis/farmacologia , Iminas/análise , Metacrilatos/análise , Metacrilatos/farmacologia , Penicillium/crescimento & desenvolvimento , Estrobilurinas , Temperatura , Fatores de Tempo
13.
J Agric Food Chem ; 53(17): 6718-24, 2005 Aug 24.
Artigo em Inglês | MEDLINE | ID: mdl-16104790

RESUMO

The potential of postharvest dip treatments with fludioxonil (FLU) (a synthetic analogue of the bacterial metabolite of pyrrolnitrin), in controlling postharvest decay caused by Penicillium digitatum and Penicillium italicum of citrus fruit was investigated in comparison with the conventional fungicide imazalil (IMZ). The ultrastructural changes of fruit epicuticular wax was investigated as a function of water dip temperature, and the possible role of these changes was related to residue accumulation under FLU treatment. Residues retained by fruit were determined as a function of fungicide concentration, dip temperature, and fruit storage conditions. Scanning electron microscopy analysis revealed that fruit dipping in water at 30 or 40 degrees C did not cause differences in cuticular wax's ultrastructure in comparison to control fruit, while treatments at 50, 55, or 60 degrees C caused the disappearance of wax platelets, resulting in relatively homogeneous skin surface, due to partial "melting" of epicuticular wax. Residues of FLU in fruit treated at 20 or 50 degrees C were significantly correlated with the doses of fungicide applied. When equal amounts of fungicide were employed, the residue concentrations were notably higher (from 2.6- to 4-fold) in fruit treated at 50 degrees C than in fruit treated at 20 degrees C. The dissipation rate of FLU in "Salustiana" and "Tarocco" oranges was lower in fruit subjected to treatment at 50 degrees C. The minimal FLU concentration for almost complete decay control in artificially wounded fruit during 7-d storage at 20 degrees C was 400 mg/L active ingredient (ai) in fruit treated at 20 degrees C and 100 mg/L ai in fruit treated at 50 degrees C. Results on nonwounded Tarocco oranges subjected to 3 weeks of simulated quarantine conditions at 1 degrees C, plus 6 weeks of standard storage at 8 degrees C and an additional two weeks of simulated marketing period (SMP) at 20 degrees C revealed that almost complete decay control with FLU applications of 100 mg/L at 50 degrees C and 400 mg/L at 20 degrees C resulted in ca. 0.8 mg/kg FLU fruit residues, in agreement with results on wounded citrus fruit. When equal concentrations and temperatures were applied, FLU treatments were as effective as IMZ. In vitro trials showed a low sensitivity to FLU against P. digitatum and P. italicum isolates. MIC values for the complete inhibition of mycelium growth were >or=100 microg/mL, while ED(50) values ranged from 0.1 to 1 microg/mL for P. digitatum and from 1 to >100 microg/mL for P. italicum. The latter result suggests that care should be taken to avoid exclusive application of FLU in a sustainable program for management of fruit decay. However, integrating fungicide application and hot water dip may reduce the possibility of selecting fungicide-resistant populations of the pathogen, by increasing the effectiveness of the treatment.


Assuntos
Citrus , Dioxóis/análise , Conservação de Alimentos/métodos , Frutas/química , Frutas/efeitos dos fármacos , Pirróis/análise , Dioxóis/administração & dosagem , Frutas/ultraestrutura , Fungicidas Industriais/administração & dosagem , Imidazóis/administração & dosagem , Microscopia Eletrônica de Varredura , Penicillium/efeitos dos fármacos , Pirróis/administração & dosagem
14.
PLoS One ; 10(10): e0141041, 2015.
Artigo em Inglês | MEDLINE | ID: mdl-26484667

RESUMO

In the root apoplasm, V(V) and V(IV) toxicity can be alleviated through redox and complexation reactions involving phenolic substances and the polyuronic components. In such context we report the role of polygalacturonic acid (PGA) on the reducing activity of caffeic acid (CAF) towards V(V). The redox reaction was particularly effective at pH 2.8 leading to the formation of oxidation products with redox activity towards V(V). An o-quinone was identified as the first product of the reaction which is further involved in the formation of CAF dimers. At pH ≥ 3.6 the redox activity decreased and a yield in V(IV) equal to 38, 31, 21 and 14% was found at pH 3.6, 4.0. 5.0 and 6.0 respectively compared with that obtained at pH 2.8. The redox reaction was faster in the presence of PGA and a higher yield of V(IV) was found in the 4.0-6.0 pH range with respect to the CAF-V(V) binary system. The higher efficiency of the redox reaction in the presence of PGA was related with the ability of PGA to bind V(IV). The biological significance of the redox reaction between CAF and V(V), as well as the role of PGA in such reaction, was established "in vivo" using triticale plants. Results showed that PGA reduced significantly the phytotoxic effects of the V(V)-CAF system.


Assuntos
Poluentes Ambientais/toxicidade , Pectinas/metabolismo , Raízes de Plantas/metabolismo , Vanadatos/metabolismo , Vanadatos/toxicidade , Ácidos Cafeicos/química , Poluentes Ambientais/metabolismo , Poluição Ambiental/efeitos adversos , Inativação Metabólica , Oxirredução , Plantas/efeitos dos fármacos
15.
J Agric Food Chem ; 61(2): 296-306, 2013 Jan 16.
Artigo em Inglês | MEDLINE | ID: mdl-23256745

RESUMO

The curative and protective activity of sodium bicarbonate (SBC) at 1% alone or in combination with fludioxonil (FLU), thiabendazole (TBZ), or FLU and TBZ together, between 50 and 600 mg/L, was evaluated on fruit of different citrus species and cultivars. Fruits were either artificially inoculated with a resistant (TBZ-r) or sensitive (TBZ-s) strain of Penicillium digitatum or not inoculated and incubated at 20 °C and 90% relative humidity (RH) for 7 days (incubated fruit) or stored at 1.5 °C for 21 days plus 7 days of simulated marketing conditions at 20 °C and 60% RH. The effectiveness of these treatments was related with treatment-induced changes of epicuticular wax morphology, the mode of distribution of SBC, TBZ, and FLU on the fruit surface, and FLU and TBZ fruit residue levels. SBC alone showed a weak activity against both strains of P. digitatum. Both TBZ and FLU were very effective at all rates used, and their activity markedly increased when combined together or with SBC, even at concentrations of 50-150 mg/L. Fruit treated with SBC either alone or in combination with TBZ and/or FLU increased weight loss, although no treatment damage was detected. Residue levels of TBZ generally increased when TBZ was combined with FLU and/or SBC, whereas those of FLU slightly increased only in treatment where FLU was combined with TBZ and SBC. Initial residues of TBZ and FLU when applied at 600 mg/L were around 2 and 1 mg/kg, respectively, several times below the lowest MRLs set by most important citrus-producing countries. In treatments with SBC or SBC plus TBZ or FLU, SEM observation of the fruit surface showed a smoothing of cuticular wax platelets' surface, whereas ESEM micrographs showed irregular spots of salt deposits of roundish to irregular shape. The apparently uneven distribution of SBC or SBC plus TBZ or FLU or SBC plus TBZ and FLU on fruit might in part reduce the potential beneficial effects of SBC or of fungicide-SBC mixtures.


Assuntos
Citrus/microbiologia , Dioxóis/farmacologia , Frutas/microbiologia , Fungicidas Industriais/farmacologia , Penicillium/efeitos dos fármacos , Resíduos de Praguicidas/análise , Pirróis/farmacologia , Tiabendazol/farmacologia , Citrus/química , Dioxóis/análise , Farmacorresistência Fúngica , Contaminação de Alimentos , Conservantes de Alimentos/farmacologia , Armazenamento de Alimentos , Frutas/química , Fungicidas Industriais/análise , Itália , Pirróis/análise , Bicarbonato de Sódio/farmacologia , Tiabendazol/análise
16.
Food Chem ; 141(2): 858-64, 2013 Nov 15.
Artigo em Inglês | MEDLINE | ID: mdl-23790859

RESUMO

Postharvest treatments of potassium sorbate only controlled recently established infections of Penicillium digitatum on Femminello siracusano lemons but did not confer any persistent protection. The loss of efficacy of potassium sorbate to control green mould decay was related to its irregular deposition on the fruit surface, as revealed by environmental scanning electron microscopy of oranges, and to the brief persistence of potassium sorbate residues. When treatment was done at 53°C, the co-application of potassium sorbate with thiabendazole reduced thiabendazole residues in Moro and Sanguinello oranges, compared to thiabendazole treatment alone. However, treatment efficacy against two isolates of P. digitatum (thiabendazole-sensitive and thiabendazole-resistant) notably improved, indicating that potassium sorbate and hot water potentiated thiabendazole activity. Potassium sorbate residues remarkably decreased during fruit storage and were not affected by the co-application of thiabendazole.


Assuntos
Citrus/microbiologia , Conservação de Alimentos/métodos , Fungicidas Industriais/farmacologia , Penicillium/efeitos dos fármacos , Doenças das Plantas/microbiologia , Ácido Sórbico/farmacologia , Tiabendazol/farmacologia , Temperatura Alta , Água/análise
17.
J Inorg Biochem ; 108: 30-5, 2012 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-22265836

RESUMO

Pectic acids participate in the transport of heavy metal ions in the root apoplasm by establishing interactions that can lead to their partial or total immobilization. The ions accumulated can be mobilized by phenolic compounds and organic acids of the root exudates. In this context, we tested, in aqueous phase, the ability of malic acid and esculetine (ESC) to mobilize the Cu(II) ions accumulated in a Ca-polygalacturonate matrix (Ca-PGA) used as a model of the root apoplasm. The results show that at pH 5.0 and 6.0 malic acid mobilizes about 22% and 34% of the Cu(II) accumulated, respectively, whereas ESC about 12% and 25%. ESC was found to cause the reduction of Cu(II) to Cu(I) with formation of ESC oxidation products. The study of the Cu(II)-ESC binary system evidenced that one molecule of ESC reduces one Cu(II) ion with formation of semiquinonic radicals that couple to form two dimers. The Cu(II) reduction by ESC was found faster in the presence of malic acid.


Assuntos
Biopolímeros/química , Cálcio/química , Cobre/química , Pectinas/química , Malatos/química , Estrutura Molecular , Oxirredução
18.
J Phys Chem B ; 114(20): 6817-24, 2010 May 27.
Artigo em Inglês | MEDLINE | ID: mdl-20438084

RESUMO

Molecular dynamics simulations for the compound I species in horseradish peroxidase were carried out over a nanoseconds time-scale. Results indicate that the supramolecular assembly composed of compound I in interaction with highly conserved distal residues (His42 and Arg38) exists in two well-defined conformations basically differing in the local position of the distal histidine (i.e., His42). Furthermore, we observe the presence of a biological channel in the distal side of the heme cavity, between Arg38 and Pro139 residues, that represents a direct link connecting the compound I (CpdI) species to bulk molecules. Our investigation supports the idea that when CpdI is formed, the biological machinery relaxes the local electrostatic forces, opening a structural channel through which an exchange of water molecules with the bulk solvent takes place without any significant kinetic barrier. Interestingly, we also show that the combined effect of enzyme and solvent, modulated by thermal fluctuations, affects the order and the energy difference between the lowest doublet and quartet magnetic states of the CpdI-His42-Arg38 complex. Consequently, when passing from the gas phase to the biological environment, the doublet spin state becomes slightly more stable than the higher spin multiplicity state. The distribution of the perturbed low-lying states energy variation, induced by surrounding fluctuations, yields results rather close to that obtained by other state of the art quantum-mechanics/molecular mechanics calculations, and still in line with previous polarizable continuum calculations.


Assuntos
Peroxidase do Rábano Silvestre/química , Solventes/química , Histidina/química , Simulação de Dinâmica Molecular , Oxirredução , Estrutura Terciária de Proteína
19.
J Agric Food Chem ; 58(6): 3661-6, 2010 Mar 24.
Artigo em Inglês | MEDLINE | ID: mdl-20166660

RESUMO

The postinfection activity of azoxystrobin (AZX), fludioxonil (FLU), and pyrimethanil (PYR), applied alone or in combination with imazalil (IMZ), in controlling postharvest green mold in 'Salustiana' oranges inoculated with Penicillium digitatum was studied. Fruits were immersed for 30 or 60 s in (i) water or water mixtures at 20 degrees C containing AZX, FLU, or PYR at 600 mg/L; and (ii) IMZ at 600 mg/L, alone or in combination with AZX, FLU, or PYR at 600 mg/L. Similar treatments were performed at 50 degrees C using the active ingredients at half rates with respect to the treatments at 20 degrees C. Fungicide residues in fruits were analyzed following treatments and after 14 days of simulated shelf life at 17 degrees C. AZX or FLU mixtures at 20 degrees C for 30-60 s similarly but moderately reduced green mold decay with respect to control fruit; differences due to dip time were not significant. Superior control of decay was achieved by PYR and, especially, IMZ, applied alone or in combination with AZX, FLU, or PYR. The activity of PYR at 20 degrees C was significantly dependent on treatment time, whereas that of IMZ and combined treatments at 20 degrees C was not. The effectiveness of FLU or PYR mixtures at 50 degrees C in controlling decay was similar and superior to that of AZX. The action of single- or double-fungicide application was not dependent on dip time in most samples. IMZ or combined mixtures at 50 degrees C were consistently more effective with respect to single-fungicide treatments with AZX, FLU, or PYR. The application of heated fungicide mixtures resulted in significantly higher residue accumulation in most fruit samples compared to treatments performed at 20 degrees C. The degradation rate of fungicides was generally low and dependent on treatment conditions such as time, temperature, and the presence or not of other fungicides.


Assuntos
Citrus sinensis/efeitos dos fármacos , Dioxóis/farmacologia , Fungicidas Industriais/farmacologia , Imidazóis/farmacologia , Doenças das Plantas/microbiologia , Pirimidinas/farmacologia , Pirróis/farmacologia , Citrus sinensis/microbiologia , Resíduos de Drogas/análise
20.
Biophys Chem ; 141(1): 87-93, 2009 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-19178992

RESUMO

Molecular dynamics simulations on hydrogen peroxide complex with wild-type (WT) and Arg38Leu mutated (R38L) Horseradish Peroxidase (HRP) were carried out over nanoseconds timescale in water solution at 300 K. Comparison of the results provides interesting insights about the role of highly conserved Arg38 and His42 residues in the chemical features of HRP, underlying its biological activity which initiates with Compound0 (Cpd0). In the WT-HRP enzyme current molecular dynamics simulations show, for the first time, that Arg38 residue: i) prevents the entrance of water inside the reaction cavity, hence providing a hydrophobic reactive scenario, ii) it maintains the distance between His42 and heme-H(2)O(2) complex suitable for the occurrence of proton transfer reaction leading, thereafter, to heme-H(2)O(2) disruption according to Poulos-Kraut mechanism. On the other hand, R38L mutant can be considered as a "wet enzyme" where the presence of water solvent molecules in the heme reaction pocket, unfavoring the initial heme-H(2)O(2) complex formation, decreases the catalytic efficiency in agreement with experimental kinetics measurements. Furthermore, we note that Arg38Leu mutation pushes the His42 residue far from the heme-H(2)O(2) complex, making unlikely a direct proton transfer and suggesting that, in the mutant, a solvent water molecule could be involved in the first step of the Poulos-Kraut mechanism.


Assuntos
Arginina/metabolismo , Peroxidase do Rábano Silvestre/química , Peroxidase do Rábano Silvestre/metabolismo , Modelos Moleculares , Fenômenos Biomecânicos , Simulação por Computador , Peroxidase do Rábano Silvestre/genética , Peróxido de Hidrogênio/metabolismo , Mutação Puntual , Conformação Proteica , Temperatura
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