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1.
Comp Biochem Physiol B Biochem Mol Biol ; 275: 111038, 2024 Oct 05.
Article in English | MEDLINE | ID: mdl-39374865

ABSTRACT

The whiteleg marine shrimp Penaeus vannamei, originally from the Eastern Pacific Ocean, now inhabits tropical waters across Asia and Central and Southern America. This benthic species exhibits rapid growth, wide salinity and temperature tolerance, and disease resistance. These physiological traits have led to extensive research on its osmoregulatory mechanisms, including next-generation sequencing, transcriptomic analyses, and lipidomic responses. In crustaceans, osmotic and ionic homeostasis is primarily maintained by the membrane-bound metalloenzyme (Na+, K+)-ATPase. However, little is known about how various ligands modulate this enzyme in P. vannamei. Here, we examined the kinetic characteristics of the gill (Na+, K+)-ATPase to get biochemical insights into its modulation. A prominent immunoreactive band of ~120 kDa, corresponding to the (Na+, K+)-ATPase alpha-subunit, was identified. The enzyme exhibited two ATP hydrolyzing sites with K0.5 = 0.0003 ± 0.00002 and 0.05 ± 0.003 mmol L-1 and was stimulated by low sodium ion concentrations. Potassium and ammonium ions also stimulated enzyme activity with similar K0.5 values of 0.08 ± 0.004 and 0.06 ± 0.003 mmol L-1, respectively. Ouabain inhibition profile suggested a single enzyme isoform with a KI value of 2.10 ± 0.16 mmol L-1. Our findings showed significant kinetic differences in the (Na+, K+)-ATPase in Penaeus vannamei compared to marine and freshwater crustaceans. We expect our results to enhance understanding of the modulation of gill (Na+, K+)-ATPase in Penaeus vannamei and to provide a valuable tool for studying the shrimp's biochemical acclimation to varying salinity conditions.

2.
Int J Biol Macromol ; 281(Pt 4): 136565, 2024 Oct 13.
Article in English | MEDLINE | ID: mdl-39406328

ABSTRACT

Studies have highlighted the great potential of Oudemansiella canarii laccase in degrading synthetic dyes for reducing their toxicity. Immobilization of enzymes improves usability in degradation processes and the present work succeeded in immobilizing this laccase onto MANAE-agarose. Immobilization improved pH, thermal, and storage stabilities. Both, free and immobilized enzymes presented Michaelis-Menten kinetics with the substrate 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) with Km values of 0.056 ± 0.003 and 0.195 ± 0.022 mM, respectively. Immobilization increased Vmax 1.27-fold. NaCl caused incomplete (hyperbolic) inhibition, which was satisfactorily described by the one-substrate one-modifier mechanism. Immobilization reduced the maximal inhibition by NaCl from 80.2 to 55.7 %. The effect of Na2SO4 was predominantly stimulation, but inhibition of the free enzyme occurred at high substrate concentrations. Stimulation of the immobilized enzyme by Na2SO4 was much more pronounced. It strongly depended on the substrate concentration and was much stronger (up to 300 %) at low substrate concentrations. The combined effects of substrate and sulfate on the immobilized laccase could be satisfactorily described by the one-substrate one-modifier mechanism. The modified response of the immobilized O. canarii laccase to NaCl and Na2SO4 considerably favors its use as a tool in bioremediation processes because environmental contamination by salts frequently represents a strong operational challenge.

3.
Food Microbiol ; 124: 104610, 2024 Dec.
Article in English | MEDLINE | ID: mdl-39244362

ABSTRACT

This study aimed to assess the impact of adaptation of ten strains of O157:H7 and non-O157 Escherichia coli to low pH (acid shock or slow acidification) and the effects of this exposure or not on the resistance of E. coli strains to UV radiation in orange juice (pH 3.5). The acid-shocked cells were obtained through culture in tryptic soy broth (TSB) with a final pH of 4.8, which was adjusted by hydrochloric, lactic, or citric acid and subsequently inoculated in orange juice at 4 °C for 30 days. No significant differences (p > 0.05) in survival in orange juice were observed between the serotypes O157:H7 and non-O157:H7 for acid-shocked experiments. After slow acidification, where the cells were cultured in TSB supplemented with glucose 1% (TSB + G), a significant increase (p < 0.05) in survival was observed for all strains evaluated. The D-values (radiation dose (J/cm2) necessary to decrease the microbial population by 90%) were determined as the inverse of the slopes of the regressions (k) obtained by plotting log (N/N0). The results show that among the strains tested, E. coli O157:H7 (303/00) and O26:H11 were the most resistant and sensitive strains, respectively. According to our results, the method of acid adaptation contributes to increasing the UV resistance for most of the strains tested.


Subject(s)
Adaptation, Physiological , Citrus sinensis , Escherichia coli O157 , Fruit and Vegetable Juices , Ultraviolet Rays , Escherichia coli O157/radiation effects , Escherichia coli O157/growth & development , Escherichia coli O157/drug effects , Fruit and Vegetable Juices/microbiology , Fruit and Vegetable Juices/analysis , Citrus sinensis/microbiology , Citrus sinensis/chemistry , Hydrogen-Ion Concentration , Escherichia coli/radiation effects , Escherichia coli/drug effects , Acids/pharmacology , Colony Count, Microbial , Food Microbiology , Microbial Viability/radiation effects , Microbial Viability/drug effects , Food Irradiation
4.
Animals (Basel) ; 14(18)2024 Sep 12.
Article in English | MEDLINE | ID: mdl-39335235

ABSTRACT

This study aimed to evaluate the nutritive value of three feeds (Cecropia sp., Pterodon sp., and Inga sp.) for sloths (Bradypus variegatus), based on nutritional composition and in vitro gas production. After a 14-day adaptation period to these feeds, approximately 500 g of gastric contents were collected from three female sloths, processed, and incubated with the food samples to evaluate digestibility and in vitro degradation kinetics. Regarding the nutritional composition, the neutral detergent fiber (NDFcp) content was higher with 404 g kg-1 DM (p = 0.001) in the leaves of Cecropia sp. The non-fibrous carbohydrate contents were greater with 499 g kg-1 DM in Pterodon sp. (p = 0.002). The greatest cellulose content (211 g kg-1 DM) was found in the leaves of C. pachystachya, as well as the lowest value of 143 g kg-1 DM for hemicellulose. Significant differences in the in vitro digestibility of crude protein (p = 0.041) were observed, with Inga sp. showing the highest value at 547 g kg-1 DM. In terms of kinetic parameters, Pterodon sp. exhibited higher total gas production (Vt) at 99 mL (p = 0.023) and digestion rates of fibrous carbohydrates (kdFC) at 0.0223%/h (p = 0.020) (p < 0.05). The leaves of Pterodon sp. and Inga sp. showed potential as suitable feeds for B. variegatus, while Cecropia sp. may have negative effects on dry matter intake due to its high NDF content, because of possible repletion effects on the stomach.

5.
Polymers (Basel) ; 16(18)2024 Sep 14.
Article in English | MEDLINE | ID: mdl-39339069

ABSTRACT

The search for adsorbents that are non-toxic and low cost with a high adsorption capacity and excellent recyclability is a priority to determine the way to reduce the serious environmental impacts caused by the discharge of effluents loaded with heavy metals. Bacterial cellulose (BC) biomass has functional groups such as hydroxyl and carbonyl groups that play a crucial role in making this cellulose so efficient at removing contaminants present in water through cation exchange. This research aims to develop an experimental process for the adsorption, elution, and reuse of bacterial cellulose biomass in treating water contaminated with Cr (VI). SEM images and the kinetics behavior were analyzed with pseudo-first- and pseudo-second-order models together with isothermal analysis after each elution and reuse process. The adsorption behavior was in excellent agreement with the Langmuir model along with its elution and reuse; the adsorption capacity was up to 225 mg/g, adding all the elution processes. This study presents a novel approach to the preparation of biomass capable of retaining Cr (VI) with an excellent adsorption capacity and high stability. This method eliminates the need for chemical agents, which would otherwise be difficult to implement due to their costs. The viability of this approach for the field of industrial wastewater treatment is demonstrated.

6.
Heliyon ; 10(17): e36982, 2024 Sep 15.
Article in English | MEDLINE | ID: mdl-39295997

ABSTRACT

Pumpkin (Cucurbita moschata) samples were dehydrated by conductive hydro-drying (CHD) (1 atm, 80 °C), sliced and purées, both structures with thicknesses of 1.5, 3 and 6 mm. Drying kinetics were analyzed and the effective diffusivity (D ef) was determined in both structures at the three thicknesses. Drying curves were fitted to ten kinetic models: Lewis, Henderson & Pabis, Logarithmic, Page, Wang & Singh, Page Modified, Midilli, Diffusion Approximation, Two-term Exponential and Verma. D ef was determined by analytical solution of Fick's Second Law in rectangular coordinates by Crank's method. In general, the semi-empirical model that best fit showed was Midilli's model. However, the importance of phenomenological models such as the analytical solution of Fick's second law for process scaling and equipment design should be considered. These modeling results aid in predicting performance and fine-tuning hydrodrying processes for sustainable, high-quality food. Future applications may involve integrating these models into industrial-scale hydrodryers, reducing energy consumption and environmental impact.

7.
Environ Sci Pollut Res Int ; 31(43): 55158-55168, 2024 Sep.
Article in English | MEDLINE | ID: mdl-39222233

ABSTRACT

The study of the adsorption of polycyclic aromatic hydrocarbons on microplastics (MPs) has attracted much attention as to how microplastics can act as carriers of these pollutants. Polyurethane (PU) is one of the MPs found in aquatic environments, containing different functional groups it can interact with polar and nonpolar molecules. PAH derivatives (dPAHs) present different properties and thus can be adsorbed by different interactions; thus, this study investigated the adsorption of fluorene (FLN), dibenzothiophene (DBT), dibenzofuran (DBF), and carbazole (CBZ) onto PU MP. The Langmuir, Freundlich, and BET isotherm models were examined, and the BET model best fitted. The adsorption was a nonspontaneous process, exothermic for mono- and multilayer formation for FLN, DBT, and CBZ, and endothermic for DBF monolayer formation. The adsorption monolayer was formed by van der Waals forces, H─bonding, and π─π interactions, while the formation of the multilayer can be explained by π─π and hydrophobic interactions. The pseudo-second-order model proved to be more consistent for the adsorption of dPAHs. The adsorption in artificial seawater shows no significant differences for the monolayer but favored the adsorption multilayer due to the salting-out effect. Due to the existence of several adsorption mechanisms, PU MP interacts with dPAHs in greater quantities when compared to a MP with a simpler structure.


Subject(s)
Microplastics , Polycyclic Aromatic Hydrocarbons , Polyurethanes , Thermodynamics , Polyurethanes/chemistry , Adsorption , Polycyclic Aromatic Hydrocarbons/chemistry , Kinetics , Microplastics/chemistry , Water Pollutants, Chemical/chemistry
8.
J Funct Morphol Kinesiol ; 9(3)2024 Aug 26.
Article in English | MEDLINE | ID: mdl-39311253

ABSTRACT

Karate athletes strategically use lower-limb techniques in combat, with the roundhouse kick (mawashi geri) being highly effective in kumite. To quickly improve the technical performance before training or competitions, conditioning activities (CAs) are often utilized. Recently, Whole-Body Vibration (WBV) has emerged as a potential conditioning activity (CA). This study aimed to analyze the acute effects of WBV as a CA on the performance of the mawashi geri. The sample included sixteen male karate athletes. The study had a familiarization and two experimental sessions: one with WBV and the other without (NWBV), conducted randomly and counterbalanced, each preceded and followed by a mawashi geri assessment on a force platform. During the CA intervention, the participants performed four sets of isometric half-squats on a vibration platform at a frequency of 26 Hz and an amplitude of 4 mm in the WBV condition, while the platform was off in the NWBV condition. A significant reduction in the mawashi geri attack phase time was observed under the WBV condition [pre: 0.31 ± 0.03 s; post: 0.30 ± 0.03 s] compared to the NWBV condition [pre: 0.31 ± 0.04 s; post: 0.32 ± 0.03 s] (p = 0.02). However, no differences were noted regarding the impact force or other kinetic variables between the conditions. Therefore, WBV did not increase the performance of the kinetic and kinematic variables of the mawashi geri in karate athletes, but it is possible that there is a positive effect on attack time, suggesting that further studies with different vibration protocol configurations would be beneficial.

9.
Sci Rep ; 14(1): 22505, 2024 09 28.
Article in English | MEDLINE | ID: mdl-39341902

ABSTRACT

This study aims to (1) compare the kinetics of pulmonary oxygen uptake (VO2p), skeletal muscle deoxygenation ([HHb]), and microvascular O2 delivery (QO2mv) between heart failure (HF) patients with reduced ejection fraction (HFrEF) and those with preserved ejection fraction (HFpEF), and (2) explore the correlation between body composition, kinetic parameters, and exercise performance. Twenty-one patients (10 HFpEF and 11 HFrEF) underwent cardiopulmonary exercise testing to assess VO2 kinetics, with near-infrared spectroscopy (NIRS) employed to measure [HHb]. Microvascular O2 delivery (QO2mv) was calculated using the Fick principle. Dual-energy X-ray absorptiometry (DEXA) was performed to evaluate body composition. HFrEF patients exhibited significantly slower VO2 kinetics (time constant [t]: 63 ± 10.8 s vs. 45.4 ± 7.9 s; P < 0.05) and quicker [HHb] response (t: 12.4 ± 9.9 s vs. 25 ± 11.6 s; P < 0.05). Microvascular O2 delivery (QO2mv) was higher in HFrEF patients (3.6 ± 1.2 vs. 1.7 ± 0.8; P < 0.05), who also experienced shorter time to exercise intolerance (281.6 ± 84 s vs. 405.3 ± 96 s; P < 0.05). Correlation analyses revealed a significant negative relationship between time to exercise and both QO2mv (ρ= -0.51; P < 0.05) and VO2 kinetics (ρ= -0.63). Body adiposity was negatively correlated with [HHb] amplitude (ρ= -0.78) and peak VO2 (ρ= -0.54), while a positive correlation was observed between lean muscle percentage, [HHb] amplitude, and tau (ρ= 0.74 and 0.57; P < 0.05), respectively. HFrEF patients demonstrate more severely impaired VO2p kinetics, skeletal muscle deoxygenation, and microvascular O2 delivery compared to HFpEF patients, indicating compromised peripheral function. Additionally, increased adiposity and reduced lean mass are linked to decreased oxygen diffusion capacity and impaired oxygen uptake kinetics in HFrEF patients.


Subject(s)
Body Composition , Exercise Tolerance , Heart Failure , Oxygen Consumption , Oxygen , Stroke Volume , Humans , Heart Failure/physiopathology , Heart Failure/metabolism , Female , Male , Middle Aged , Aged , Oxygen/metabolism , Kinetics , Exercise Test , Muscle, Skeletal/metabolism , Muscle, Skeletal/physiopathology
10.
Foods ; 13(17)2024 Sep 01.
Article in English | MEDLINE | ID: mdl-39272549

ABSTRACT

Despite the high global production of beetroot (Beta vulgaris L.), its peel is often discarded. Transforming beetroot into flour can reduce waste, improve food security, and decrease environmental pollution. However, large-scale feasibility depends on understanding drying kinetics and optimal storage conditions. This study aimed to investigate the effects of different temperatures in the convective drying of whole beetroot and evaluate the influence of laminated flexible and plastic packaging on flour stability over two months. Drying kinetics were analyzed using five models, with the Page and Logarithm models showing the best fit (R2 > 0.99). Def values (1.27 × 10-9 to 2.04 × 10-9 m2 s-1) increased with rising temperatures while drying time was reduced (from 820 to 400 min), indicating efficient diffusion. The activation energy was 29.34 KJ mol-1, comparable to other plant matrices. Drying reduced moisture and increased ash concentration in the flour. The flour showed a good water adsorption capacity and low cohesiveness, making it marketable. Laminated packaging was more effective in controlling physicochemical parameters, reducing hygroscopicity, and maintaining quality over 60 days. In summary, the Page model can predict beetroot drying kinetics effectively, and laminated packaging can control flour stability.

11.
Bioorg Chem ; 152: 107735, 2024 Nov.
Article in English | MEDLINE | ID: mdl-39213798

ABSTRACT

Urease is a metalloenzyme that contains two Ni(II) ions in its active site and catalyzes the hydrolysis of urea into ammonia and carbon dioxide. The development of effective urease inhibitors is crucial not only for mitigating nitrogen losses in agriculture but also for offering an alternative treatment against infections caused by resistant pathogens that utilize urease as a virulence factor. This study focuses on synthesizing and investigating the urease inhibition potential of Biginelli Adducts bearing a boric acid group. An unsubstituted or hydroxy-substituted boronic group in the Biginelli adducts structure enhances the urease inhibitory activity. Biophysical and kinetics studies revealed that the best Biginelli adduct (4e; IC50 = 132 ± 12 µmol/L) is a mixed inhibitor with higher affinity to the urease active site over an allosteric one. Docking studies confirm the interactions of 4e with residues essential for urease activity and demonstrate its potential to coordinate with the nickel atoms through the oxygen atoms of carbonyl or boronic acid groups. Overall, the Biginelli adduct 4e shows great potential as an additive for developing enhanced efficiency fertilizers and/or for medical applications.


Subject(s)
Boronic Acids , Enzyme Inhibitors , Urease , Boronic Acids/chemistry , Boronic Acids/pharmacology , Boronic Acids/chemical synthesis , Canavalia/enzymology , Dose-Response Relationship, Drug , Enzyme Inhibitors/chemical synthesis , Enzyme Inhibitors/pharmacology , Enzyme Inhibitors/chemistry , Molecular Docking Simulation , Molecular Structure , Structure-Activity Relationship , Urease/antagonists & inhibitors , Urease/metabolism , Nickel/chemistry
12.
Sports Biomech ; : 1-10, 2024 Aug 27.
Article in English | MEDLINE | ID: mdl-39192665

ABSTRACT

Beach volleyball (BV) is an intermittent sport characterised by short-duration and highly demanding activities with low intensity periods. Establishing if players' jump ability is influenced by sand granulometry is a useful information for sport scientists, coaches and players. This study aimed to assess the possible differences in the kinetics parameters of the vertical jump on different types of sand performed by BV players. Twelve elite female players performed six countermovement jumps (CMJs) in three different surface conditions (fine sand, reference, coarse sand) in a random counterbalanced order (216 jumps). A generalised mixed model approach detected differences for CMJ model in total duration (p: 0.016), eccentric phase duration (p: 0.007), concentric phase duration (p: 0.011), time to peak power (p: < 0.001), time to peak force (p: 0.014), maximum rate force development concentric phase (p: 0.004), maximum velocity (p: 0.028) and peak power eccentric (p: 0.018). Coarse sand decreases the time spent jumping compared to fine sand, without a penalty to jump height. Coaches and athletes should take this information into account to enhance their understanding of practice strategies and game conditions. One might anticipate a faster pace in games played on coarse sand and a slower pace on fine sand.

13.
Braz J Microbiol ; 55(3): 2669-2681, 2024 Sep.
Article in English | MEDLINE | ID: mdl-39028533

ABSTRACT

Actinobacteria, pervasive in aquatic and terrestrial environments, exhibit a filamentous morphology, possess DNA with a specific G + C content and production of numerous secondary metabolites. This study, focused on actinobacteria isolated from marine seagrass, investigating their antibacterial activity against fish pathogens. Among 28 isolates, Streptomyces argenteolus TMA13 displayed the maximum zone of inhibition against fish pathogens-Aeromonas hydrophila (10 mm), Aeromonas caviae (22 mm), Edwardsiella tarda (17 mm), Vibrio harveyi (22 mm) and Vibrio anguillarum (12 mm) using the agar plug method. Optimization of this potent strain involved with various factors, including pH, temperature, carbon source and salt condition to enhance both yield production and antibacterial efficacy. In anti-biofilm assay shows the maximum percentage of inhibition while increasing concentration of TMA13 extract. Minimal Inhibitory Concentration (MIC) and Minimal Bactericidal Concentration (MBC) assays with TMA13 crude extract demonstrated potent activity against fish pathogens at remarkably low concentrations. Time-kill kinetics assay showcased growth curve variations over different time intervals for all fish pathogens treated with a 100 µg/ml concentration of crude extract, indicating a decline in cells viability and progression into the death phase. Additionally, fluorescence microscopic visualization of bacterial cells exposed to the extracts emitting green and red fluorescence, enabling live-dead cell differentiation was also studied. Further characterization of the crude extract through GC-MS and FT-IR analyses performed and identified secondary metabolites with functional groups exhibiting significant antibacterial activity. This study elucidates the capacity of Streptomyces argenteolus TMA13 to enhance the production of antibiotic compounds effective against fish pathogens.


Subject(s)
Anti-Bacterial Agents , Fish Diseases , Microbial Sensitivity Tests , Streptomyces , Streptomyces/chemistry , Streptomyces/metabolism , Animals , Anti-Bacterial Agents/pharmacology , Fish Diseases/microbiology , Fishes/microbiology , Kinetics , Vibrio/drug effects , Biofilms/drug effects
14.
Sci Total Environ ; 947: 174501, 2024 Oct 15.
Article in English | MEDLINE | ID: mdl-38971239

ABSTRACT

Currently, pollution due to heavy metals, in particular dissolved mercury, is a major concern for society and the environment. This work aims to evaluate the current scenario regarding the removal/elimination of mercury. Mercury removal through adsorption is mainly done through artificial resins and metallic-organic frameworks. In the case of the zinc organic framework, it was able to adsorb Hg2+, reaching an adsorption capacity of 802 mg g-1. As for the Hg(0) the coconut husk was found to have the lowest equilibrium time, 30 min, and the highest adsorption capacity of 956.2 mg g-1. Experimental reports and molecular simulation indicate that the adsorption of mercury and other chemical forms occurs due to electrostatic interactions, ion exchange, precipitation, complexation, chelation, and covalent bonds, according to the material nature. The reported thermodynamic results show that, in most cases, the mercury adsorption has an endothermic nature with enthalpy levels below 40 kJ mol-1. Thermal and chemical regeneration methods lead to a similar number of 5 cycles for different materials. The presence of other ions, in particular cadmium, lead, and copper, generates an antagonistic effect for mercury adsorption. Regarding the other current technologies, it was found that mercury removal is feasible through precipitation, phytoremediation, and marine microalgae; all these methods require constant chemicals or a slow rate of removal according to the conditions. Advanced oxidative processes have noteworthy removal of Hg(0); however, Fenton processes lead to mineralization, which leads to Fe2+ and Fe3+ in solution; sonochemical processes are impossible to scale up at the current technology level; and electrochemical processes consume more energy and require constant changes of the anode and cathode. Overall, it is possible to conclude that the adsorption process remains a more friendly, economical, and greener process in comparison with other processes.

15.
Food Res Int ; 191: 114677, 2024 Sep.
Article in English | MEDLINE | ID: mdl-39059906

ABSTRACT

Vitamin D3(cholecalciferol)plays a crucial role in various physiological processes. However, vitamin D3 deficiency is a major public health problem affecting millions of people. Therefore, it is important to develop effective strategies that ensure the protection and stability of this important vitamin for food supplementation and fortification. This work aimed to impregnate intact and plasmolyzedSaccharomyces pastorianus brewer's yeast biomass with cholecalciferol using a biosorption process followed by spray drying to characterize the obtained material in terms of morphology, average particle size, zeta potential, moisture, water activity, FT-IR, and the stability of the encapsulated vitamin during the drying and storage process. Plasmolysis proved to be an effective method for improving the biosorption efficiency, retention during spray drying, and stability of vitamin D3. In addition, this process promoted an increase in cell size, which favored the dispersion stability of the system, as evidenced by the zeta potential values. These results contribute to the understanding of a new method for delivering this vitamin that conforms to environmentally conscious practices.


Subject(s)
Biomass , Cholecalciferol , Particle Size , Saccharomyces cerevisiae , Saccharomyces cerevisiae/metabolism , Spectroscopy, Fourier Transform Infrared , Spray Drying , Desiccation/methods
16.
Antimicrob Agents Chemother ; 68(8): e0172123, 2024 Aug 07.
Article in English | MEDLINE | ID: mdl-38990013

ABSTRACT

The use of ß-lactam/ß-lactamase inhibitors constitutes an important strategy to counteract ß-lactamases in multidrug-resistant (MDR) Gram-negative bacteria. Recent reports have described ceftazidime-/avibactam-resistant isolates producing CTX-M variants with different amino acid substitutions (e.g., P167S, L169Q, and S130G). Relebactam (REL) combined with imipenem has proved very effective against Enterobacterales producing ESBLs, serine-carbapenemases, and AmpCs. Herein, we evaluated the inhibitory efficacy of REL against CTX-M-96, a CTX-M-15-type variant. The CTX-M-96 structure was obtained in complex with REL at 1.03 Å resolution (PDB 8EHH). REL was covalently bound to the S70-Oγ atom upon cleavage of the C7-N6 bond. Compared with apo CTX-M-96, binding of REL forces a slight displacement of the deacylating water inwards the active site (0.81 Å), making the E166 and N170 side chains shift to create a proper hydrogen bonding network. Binding of REL also disturbs the hydrophobic patch formed by Y105, P107, and Y129, likely due to the piperidine ring of REL that creates clashes with these residues. Also, a remarkable change in the positioning of the N104 sidechain is also affected by the piperidine ring. Therefore, differences in the kinetic behavior of REL against class A ß-lactamases seem to rely, at least in part, on differences in the residues being involved in the association and stabilization of the inhibitor before hydrolysis. Our data provide the biochemical and structural basis for REL effectiveness against CTX-M-producing Gram-negative pathogens and essential details for further DBO design. Imipenem/REL remains an important choice for dealing with isolates co-producing CTX-M with other ß-lactamases.


Subject(s)
Azabicyclo Compounds , beta-Lactamase Inhibitors , beta-Lactamases , Azabicyclo Compounds/pharmacology , Azabicyclo Compounds/chemistry , beta-Lactamases/genetics , beta-Lactamases/metabolism , beta-Lactamases/chemistry , beta-Lactamase Inhibitors/pharmacology , beta-Lactamase Inhibitors/chemistry , Crystallography, X-Ray , Anti-Bacterial Agents/pharmacology , Imipenem/pharmacology , Imipenem/chemistry , Ceftazidime/pharmacology , Microbial Sensitivity Tests , Catalytic Domain
17.
Heliyon ; 10(12): e33117, 2024 Jun 30.
Article in English | MEDLINE | ID: mdl-39027445

ABSTRACT

Pyrolysis stands out as one potential route for valorizing abundant agro-industrial cocoa residues. However, the products of this reaction, particularly bio-oil, do not possess the required quality for direct use in many applications. Thus, this study explores the use of iron sulfate and zinc sulfate as potential catalysts in the pyrolysis of these residues. In this investigation, the biomass, previously ground and dried, was impregnated with varying percentages of ferric sulfate and zinc sulfate. The TG-FTIR technique was employed to ascertain the effect of these salts on the pyrolysis of cocoa shell. The results were fitted with the DAEM model with three pseudo-components. It was determined that both salts induced alterations in the DTG profiles of the thermal decomposition of cocoa shell. In the evolved gases, compounds such as CO2, H2O, CH4, CO, HCN, and oxygenated compounds like HCOOH and CH3COOH were detected. Ferric sulfate significantly influenced the activation energies governing the reactions of the three pseudo-components. Conversely, the presence of zinc sulfate did not alter the activation energies associated with the decomposition of cocoa shell pseudo-components. Both catalysts induced alterations in the infrared spectra of the evolved gases, which is primarily evident in the relative intensities of bands corresponding to the stretching vibrations of constituent groups within CO2, CO, water, and oxygenated compounds.

18.
J Sports Sci ; 42(9): 785-792, 2024 May.
Article in English | MEDLINE | ID: mdl-38870098

ABSTRACT

This study aimed to verify the effects of 4 weeks of high-intensity interval training (HIIT), heavy (HRT) and explosive (ERT) resistance training on aerobic, anaerobic and neuromuscular parameters and performance of well-trained runners. Twenty-six male athletes were divided into HIIT (n = 10), HRT (n = 7) and ERT (n = 9) groups. Maximal oxygen uptake (VO2max) and the corresponding velocity (vVO2max), anaerobic threshold (AT), running economy (RE), oxygen uptake kinetics, lower-body strength (1RM) and power (CMJ), and the 1500m and 5000m time-trial (TT) were determined. Improvements were observed in vVO2max (mean difference (Δ): 2.6%; effect size (ES): 0.63) with HIIT, while AT was incresead in ERT (Δ: 4.3%; ES: 0.73) and HRT (Δ: 6.9%; ES: 0.72) groups. The CMJ performance was increased in ERT (Δ: 13.8%; ES: 1.03), HRT (Δ: 6.9%; ES: 0.55) and HIIT (Δ: 5.4%; ES: 0.34), whereas 1RM increase in HRT (Δ: 38.1%; ES: 1.21) and ERT (Δ: 49.2%; ES: 0.96) groups. HIIT improved the 1500m (Δ: -2.3%; ES: -0.62) and both HRT (Δ: -1.6%; ES: -0.32) and ERT (Δ: -1.7%; ES: -0.31) the 5000m TT. Despite performance adaptations were dependent on the training characteristics, both RT and HIIT model constitute an alternative for training periodization.


Subject(s)
Anaerobic Threshold , Athletic Performance , High-Intensity Interval Training , Muscle Strength , Oxygen Consumption , Resistance Training , Running , Humans , High-Intensity Interval Training/methods , Male , Resistance Training/methods , Running/physiology , Oxygen Consumption/physiology , Athletic Performance/physiology , Muscle Strength/physiology , Young Adult , Anaerobic Threshold/physiology , Adult
19.
Protein Sci ; 33(7): e5064, 2024 Jul.
Article in English | MEDLINE | ID: mdl-38864722

ABSTRACT

Due to the low temperature, the Antarctic marine environment is challenging for protein functioning. Cold-adapted organisms have evolved proteins endowed with higher flexibility and lower stability in comparison to their thermophilic homologs, resulting in enhanced reaction rates at low temperatures. The Antarctic bacterium Pseudoalteromonas haloplanktis TAC125 (PhTAC125) genome is one of the few examples of coexistence of multiple hemoglobin genes encoding, among others, two constitutively transcribed 2/2 hemoglobins (2/2Hbs), also named truncated Hbs (TrHbs), belonging to the Group II (or O), annotated as PSHAa0030 and PSHAa2217. In this work, we describe the ligand binding kinetics and their interrelationship with the dynamical properties of globin Ph-2/2HbO-2217 by combining experimental and computational approaches and implementing a new computational method to retrieve information from molecular dynamic trajectories. We show that our approach allows us to identify docking sites within the protein matrix that are potentially able to transiently accommodate ligands and migration pathways connecting them. Consistently with ligand rebinding studies, our modeling suggests that the distal heme pocket is connected to the solvent through a low energy barrier, while inner cavities play only a minor role in modulating rebinding kinetics.


Subject(s)
Bacterial Proteins , Pseudoalteromonas , Truncated Hemoglobins , Pseudoalteromonas/metabolism , Pseudoalteromonas/genetics , Pseudoalteromonas/chemistry , Kinetics , Truncated Hemoglobins/chemistry , Truncated Hemoglobins/metabolism , Truncated Hemoglobins/genetics , Bacterial Proteins/chemistry , Bacterial Proteins/metabolism , Bacterial Proteins/genetics , Molecular Dynamics Simulation , Antarctic Regions , Ligands
20.
Int J Biol Macromol ; 273(Pt 2): 133199, 2024 Jul.
Article in English | MEDLINE | ID: mdl-38885866

ABSTRACT

This study aimed to produce, characterize and purify a protease from Aspergillus heteromorphus URM0269. After production by solid fermentation of wheat bran performed according to a central composite design, protease was characterized in terms of biochemical, kinetic, and thermodynamic parameters for further purification by chromatography. Proteolytic activity achieved a maximum value of 57.43 U/mL using 7.8 g of wheat bran with 40 % moisture. Protease displayed high stability in the pH and temperature ranges of 5.0-10.0 and 20-30 °C, respectively, and acted optimally at pH 7.0 and 50 °C. The enzyme, characterized as a serine protease, followed Michaelis-Menten kinetics with a maximum reaction rate of 140.0 U/mL and Michaelis constant of 11.6 mg/mL. Thermodynamic activation parameters, namely activation Gibbs free energy (69.79 kJ/mol), enthalpy (5.86 kJ/mol), and entropy (-214.39 J/mol.K) of the hydrolysis reaction, corroborated with kinetic modeling showing high affinity for azocasein. However, thermodynamic parameters suggested a reversible mechanism of unfolding. Purification by chromatography yielded a protease purification factor of 7.2, and SDS-PAGE revealed one protein band with a molecular mass of 14.7 kDa. Circular dichroism demonstrated a secondary structure made up of 45.6 % α-helices. These results show the great potential of this protease for future use in the industrial area.


Subject(s)
Aspergillus , Temperature , Thermodynamics , Aspergillus/enzymology , Kinetics , Hydrogen-Ion Concentration , Enzyme Stability , Fermentation , Peptide Hydrolases/chemistry , Peptide Hydrolases/isolation & purification , Peptide Hydrolases/metabolism , Hydrolysis , Agriculture
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