Hydrolysis Products Research Articles

Ultra flexible silica aerogel with excellent mechanical properties for durable oil-water separation

Flexible Silica aerogel has a broad application prospect in the field of oil-water separation due to its low density and high porosity. However, its poor mechanical properties limit its application and it is a challenge to improve its mechanical properties while maintaining its excellent oil absorption capacity. In this work, we add silica sol to the silica source system formed by vinyltrimethoxysilane (VTMS) and vinylmethyl dimethoxysilane (VMDMS) to prepare silica sol-reinforced flexible silica aerogels by ambient pressure drying. The introduction of silica sol provides more -OH groups that can be used as condensation sites. The hydrolysis products of VTMS and VMDMS undergo dehydration condensation reaction with these exposed -OH groups and co-polymerize, resulting in a more robust three-dimensional porous structure. Silica sol- reinforced vinyl flexible silica aerogel is prepared with excellent mechanical properties. Its maximum strain can reach 80 % in 10 compression-decompression cycles without destroying its structure. Its hydrophobic angle was 145.7 °. Most particularly, compared to conventional flexible aerogel,when the silica sol-reinforced vinyl flexible silica aerogel is used in oil-water separation applications, it does not need to be dried after absorbing oil but only mechanically squeezed to expel the absorbed organic solvent. It can be reused hundreds of times, which greatly improves the efficiency of oil-water separation.

Effect of ultrasonic pretreatment on antifreeze activity of gluten antifreeze polypeptide

In this study, the effects of thermal hysteresis activity, ice recrystallization inhibition, amino acid composition and surface hydrophobicity of different ultrasonic pretreatments on gluten antifreeze polypeptide was studied.The results of the thermal hysteresis activity showed that the collaborative (flat-panel combined probe) ultrasonic working mode was superior to the single-frequence ultrasound mode. In the optimal working mode (15 min, 100 W/L), the results of polarized light microscope and gel chromatography column showed that ultrasonic pretreatment could effectively inhibit the growth of ice crystals, reduced the size of ice crystals, and to a certain extent, transfer the molecular weight distribution of peptides to small molecular peptides. The molecular weight was mainly concentrated at about 200–1000 u. The contents of Valine, Methionine, Leucine, Proline and Glutamic acid residues in the gluten antifreeze polypeptide pretreated by ultrasonic wave were relatively high and more hydrophobic groups were exposed. The secondary structure results showed that the molecular conformation of the polypeptide was mainly α-helix and β-sheet conformations.This paper systematically revealed the intrinsic correlation mechanism between the changes of key domains of substrate proteins and the antifreeze activity of enzymatic hydrolysis products assisted by ultrasoud, providing a theoretical basis for the preparation of antifreeze polypeptide.

Position-Specific Oxygen Isotope Analysis in Inositol Phosphates by Using Electrospray Ionization-Quadrupole-Orbitrap Mass Spectrometry.

Conventional isotope-ratio mass spectrometry measurements obscure position-specific isotope distributions in molecular compounds because these measurements require an initial step that converts compounds into simple gases by combustion or pyrolysis. Here, we used electrospray ionization (ESI)-based Orbitrap mass spectrometry to measure oxygen isotope ratios in the phosphate and hydroxyl moieties of inositol phosphates. A thermal hydrolysis experiment was conducted using 18O-labeled water to examine the position-specific oxygen isotope exchange in inositol hexakisphosphate (IP6) as well as its hydrolysis products IP5, IP3, and PO3 fragments. Measurement precisions of the position-specific and molecular-average oxygen isotope values of inositol phosphates were better than ±1.1‰ and ±0.5‰, respectively. Under optimized ionization and Orbitrap parameters, this level of precision was obtained within 30 min of run time at 60 μM initial concentration of inositol phosphate. The ability to measure phosphate-specific oxygen isotopes in inositol phosphate enabled the quantification of isotope exchange, which did not occur in phosphate on IP6, IP5, IP3, and PO3 fragments, meaning that the change in isotopes should have resulted from hydroxyls in the ring. Isotope mass balance calculations corroborated that hydroxyl oxygens are derived from 18O-labeled water. With the observed sensitivity and precision achieved in this study, Orbitrap IRMS proved to be a promising tool for investigating the position-specific oxygen isotopes in organophosphorus compounds. These outcomes open up numerous potential applications that can expand our understanding of phosphorus cycling in the environment.

Efficient Enzymatic Hydrolysis and Polyhydroxybutyrate Production from Non-Recyclable Fiber Rejects from Paper Mills by Recombinant Escherichia coli

Non-recyclable fiber rejects from paper mills, particularly those from recycled linerboard mills, contain high levels of structural carbohydrates but are currently landfilled, causing financial and environmental burdens. The aim of this study was to develop efficient and sustainable bioprocess to upcycle these rejects into polyhydroxybutyrate (PHB), a biodegradable alternative to degradation-resistant petroleum-based plastics. To achieve high yields of PHB per unit biomass, the specific objective of the study was to investigate various approaches to enhance the hydrolysis yields of fiber rejects to maximize sugar recovery and evaluate the fermentation performance of these sugars using Escherichia coli LSBJ. The investigated approaches included size reduction, surfactant addition, and a chemical-free hydrothermal pretreatment process. A two-step hydrothermal pretreatment, involving a hot water pretreatment (150 °C and 15% solid loading for 10 min) followed by three cycles of disk refining, was found to be highly effective and resulted in an 83% cellulose conversion during hydrolysis. The hydrolysate obtained from pretreated biomass normally requires a detoxification step to enhance fermentation efficiency. However, the hydrolysate obtained from the pretreated biomass contained minimal to no inhibitory compounds, as indicated by the efficient sugar fermentation and high PHB yields, which were comparable to those from fermenting raw biomass hydrolysate. The structural and thermal properties of the extracted PHB were analyzed using various techniques and consistent with standard PHB.

Elucidating β-1,3-Glucanase and Peroxidase Physicochemical Properties of Wheat Cell Wall Defense Mechanism against Diuraphis noxia Infestation.

Wheat plants infested by Russian wheat aphids (RWA) induce a cascade of defense responses, including the hypersensitive responses (HR) and induction of pathogenesis-related (PR) proteins, such as β-1,3-glucanase and peroxidase (POD). This study aims to characterize the physicochemical properties of cell wall-associated POD and β-1,3-glucanase and determine their synergism on the cell wall modification during RWASA2-wheat interaction. The susceptible Tugela, moderately resistant Tugela-Dn1, and resistant Tugela-Dn5 cultivars were pregerminated and planted under greenhouse conditions, fertilized 14 days after planting, and irrigated every 3 days. The plants were infested with 20 parthenogenetic individuals of the same RWASA2 clone at the 3-leaf stage, and leaves were harvested at 1 to 14 days post-infestation. The Intercellular wash fluid (IWF) was extracted using vacuum filtration and stored at -20 °C. Leaf residues were crushed into powder and used for cell wall components. POD activity and characterization were determined using 5 mM guaiacol substrate and H2O2, monitoring change in absorbance at 470 nm. β-1,3-glucanase activity, pH, and temperature optimum conditions were demonstrated by measuring the total reducing sugars in the hydrolysate with DNS reagent using β-1,3-glucan and β-1,3-1,4-glucan substrates, measuring the absorbance at 540 nm, and using glucose standard curve. The pH optimum was determined between pH 4 to 9, temperature optimum between 25 and 50 °C, and thermal stability between 30 °C and 70 °C. β-1,3-glucanase substrate specificity was determined at 25 °C and 40 °C using curdlan and barley β-1,3-1,4-glucan substrates. Additionally, the β-1,3-glucanase mode of action was determined using laminaribiose to laminaripentaose. The oligosaccharide hydrolysis product patterns were qualitatively analyzed with thin-layer chromatography (TLC) and quantitatively analyzed with HPLC. The method presented in this study demonstrates a robust approach for infesting wheat with RWA, extracting peroxidase and β-1,3-glucanase from the cell wall region and their comprehensive biochemical characterization.

The Impact of Gelatin and Fish Collagen on Alginate Hydrogel Properties: A Comparative Study.

Hydrogel materials based on sodium alginate find versatile applications in regenerative medicine and tissue engineering due to their unique properties, such as biocompatibility and biodegradability, and the possibility of the customization of their mechanical properties, such as in terms of the individual requirements of separate clinical applications. These materials, however, have numerous limitations in the area of biological activity. In order to eliminate their limitations, sodium alginate is popularly applied in combination with added gelatin, which represents a product of collagen hydrolysis. Despite numerous beneficial biological properties, matrix materials based on gelatin have poor mechanical properties and are characterized by their ability for rapid degradation in an aqueous environment, particularly at the physiological temperature of the body, which significantly limits the independent application opportunities of this type of composition in the range of scaffolding production dedicated for tissue engineering. Collagen hydrogels, unlike gelatin, are characterized by higher bioactivity, dictated by a greater number of ligands that allow for cell adhesion, as well as better stability under physiological conditions. Fish-derived collagen provides a material that may be efficiently extracted without the risk of mammalian prion infection and can be used in all patients without religious restrictions. Considering the numerous advantages of collagen indicating its superiority over gelatin, within the framework of this study, the compositions of hydrogel materials based on sodium alginate and fish collagen in different concentrations were developed. Prepared hydrogel materials were compared with the properties of a typical composition of alginate with the addition of gelatin. The rheological, mechanical, and physicochemical properties of the developed polymer compositions were evaluated. The first trials of 3D printing by extrusion technique using the analyzed polymer solutions were also conducted. The results obtained indicate that replacing gelatin with fish collagen at an analogous concentration leads to obtaining materials with a lower swelling degree, better mechanical properties, higher stability, limited release kinetics of calcium ions cross-linking the alginate matrix, a slowed process of protein release under physiological conditions, and the possibility of extrusion 3D printing. The conducted analysis highlights that the optimization of the applied concentrations of fish collagen additives to composition based on sodium alginate creates the possibility of designing materials with appropriate mechanical and rheological properties and degradation kinetics adjusted to the requirements of specific applications, leading to the prospective opportunity to produce materials capable of mimicking the properties of relevant soft tissues. Thanks to its excellent bioactivity and lower-than-gelatin viscosity of the polymer solution, fish collagen also provides a prospective solution for applications in the field of 3D bioprinting.

Gongronella sp. w5 hydrolyzes plant sucrose and releases fructose to recruit phosphate-solubilizing bacteria to provide plants with phosphorus.

This work supported that after absorbing plant sucrose, Gongronella sp. w5 mainly releases sucrose hydrolysis product fructose into the environment. Fructose was used as a carbon source and signaling molecules to induce PSB to co-produce higher alkaline phosphatase activity, releasing soil-available phosphorus and promoting M. truncatula growth. This is the first report that plant-beneficial fungi could directly metabolize sucrose from plants and then recruit PSB to aid P acquisition by providing fructose. Our findings revealed the diversity in pathways of plant-fungi-PSB interactions on soil P acquisition and deepened our understanding of the cooperation of growth-promoting microorganisms in plant rhizosphere.

The Effect of Broccoli Glucosinolates Hydrolysis Products on Botrytis cinerea: A Potential New Antifungal Agent.

The present study investigates the interactions between eight glucosinolate hydrolysis products (GHPs) sourced from broccoli by-products and the detoxifying enzymes of Botrytis cinerea, namely eburicol 14-alpha-demethylase (CYP51) and glutathione-S-transferase (GST), through in silico analysis. Additionally, in vitro assays were conducted to explore the impact of these compounds on fungal growth. Our findings reveal that GHPs exhibit greater efficacy in inhibiting conidia germination compared to mycelium growth. Furthermore, the results demonstrate the antifungal activity of glucosinolate hydrolysis products derived from various parts of the broccoli plant, including inflorescences, leaves, and stems, against B. cinerea. Importantly, the results suggest that these hydrolysis products interact with the detoxifying enzymes of the fungus, potentially contributing to their antifungal properties. Extracts rich in GHPs, particularly iberin and indole-GHPs, derived from broccoli by-products emerge as promising candidates for biofungicidal applications, offering a sustainable and novel approach to plant protection by harnessing bioactive compounds from agricultural residues.

Alkaline Pre-Fermentation Promotes Anaerobic Digestion of Enhanced Membrane Coagulation (EMC) Sludge: Performance and Microbial Community Response

Concentrating organic matter in sludge and converting it into methane through anaerobic bioconversion can improve resource recovery from domestic wastewater. Enhanced membrane coagulation (EMC) is highly efficient at concentrating organic matter, but residual coagulants (aluminum salts) can obstruct bioconversion by blocking microbial access. Limited research exists on evaluating EMC sludge bioconversion performance and addressing coagulant inhibition. This study proposes alkaline pre-fermentation to break down HO-Al-P backbones in coagulated sludge flocs, thereby improving hydrolysis and organic acid production for anaerobic digestion. Among the tested alkaline conditions (pH 9, pH 10, pH 11), pre-fermentation at pH 11 released the most organic matter (4710.0 mg/L SCOD), 20.4 times higher than without alkaline treatment. At pH 11, phosphate (61 mg/L PO43−–P) and organic acid production (2728.1 mg COD/L, with nearly 50% acetic acid) peaked, resulting in superior volatile solids removal (65.2%) and methane production (185.8 mL/g VS) during anaerobic digestion. Alkaline pre-fermentation favored alkali-tolerant bacteria such as Firmicutes and Actinobacteria, especially at pH 11, while neutrophilic Proteobacteria were suppressed. Trichococcus and Bifidobacterium, known acid producers, dominated under all conditions, with their abundance increasing at higher pH levels. Anaerobic digestion enriched fermentative bacteria like Chloroflexi and Synergistota (e.g., Thermovirga), especially in high pH reactors. Methanothrix, an acetoclastic methanogen, became the dominant methanogenic archaeon, indicating that methane production from EMC sludge primarily followed the acetoclastic methanogenesis pathway. Our findings demonstrate that alkaline pre-fermentation at pH 11 significantly enhances the hydrolysis efficiency of EMC sludge for methane recovery.

Production, Purification, and Characterization of a Cellulase from Paenibacillus elgii.

Cellulases are one of the most essential natural factors for cellulose degradation and, thus, have attracted significant interest for various applications. In this study, a cellulase from Paenibacillus elgii TKU051 was produced, purified, and characterized. The ideal fermentation conditions for cellulase productivity were 2% carboxymethyl cellulose (CMC) as the growth substrate, pH = 8, temperature of 31 °C, and 4 days of culturing. Accordingly, a 45 kDa cellulase (PeCel) was successfully purified in a single step using a High Q column with a recovery yield of 35% and purification of 42.2-fold. PeCel has an optimal activity at pH 6 and a temperature of 60 °C. The activity of cellulase was significantly inhibited by Cu2+ and enhanced by Mn2+. The PeCel-catalyzed products of the CMC hydrolysis were analyzed by high-performance liquid chromatography, which revealed chitobiose and chitotriose as the major products. Finally, the clarity of apple juice was enhanced when treated with PeCel.

Analysis of glycoalkaloid distribution in the tissues of mealworm larvae (Tenebrio molitor)

Solanine (SOL) and chaconine (CHA) are glycoalkaloids (GAs) produced mainly by Solanum plants. These plant secondary metabolites affect insect metabolism; thus, they have the potential to be applied as natural plant protection products. However, it is not known which GA concentration induces physiological changes in animals. Therefore, the aim of this study was to perform a quantitative analysis of SOL and CHA in the larvae of Tenebrio molitor using LC‒MS to assess how quickly they are eliminated or metabolised. In this experiment, the beetles were injected with 2 μL of 10−5 M SOL or CHA solution, which corresponds to a dosage range of 0.12–0.14 ng/mg body mass. Then, 0.5, 1.5, 8, and 24 h after GA application, the haemolymph (H), gut (G), and the remainder of the larval body (FB) were isolated. GAs were detected in all samples tested for 24 h, with the highest percentage of the amount applied in the FB, while the highest concentration was measured in the H sample. The SOL and CHA concentrations decreased in the haemolymph over time, while they did not change in other tissues. CHA had the highest elimination rate immediately after injection, while SOL slightly later. None of the GA hydrolysis products were detected in the tested samples. One possible mechanism of the detoxification of GAs may be oxidation and/or sequestration. They may be excreted by Malpighian tubules, with faeces or with cuticles during moulting. The results presented are significant because they facilitate the interpretation of studies related to the effects of toxic substances on insect metabolism.

Competitive Valerate Binding Enables RuO2-Mediated Butene Electrosynthesis in Water.

The (non)-Kolbe oxidation of valeric acid, sourced from a hydrolysis product of cellulose, provides a sustainable synthetic route to access value-added products, such as butene. An essential mechanistic step preceding product formation involves the oxidative and decarboxylative cleavage of a C-C bond. Yet, the role of the electrode surface in mediating this oxidative step remains an open question: the electron transfer can occur either via an inner-sphere or outer-sphere mechanism. Here, we report the electrochemical, in situ spectroscopic, computational, and reactivity studies of RuO2-mediated oxidative decarboxylation of valeric acid to butene in aqueous electrolytes. We find that carboxylates bind to RuO2 anode surfaces at potential values where decarboxylation products are observed. Our results are consistent with a reaction scheme where the competitive and catalytic oxygen evolution reaction (OER) is impeded by these bound carboxylate species while these species are inert toward butene formation. Our results implicate an outer-sphere electron transfer mechanism for decarboxylation where the surface chemistry of the RuO2 electrode serves to enable higher non-Kolbe reaction selectivity by suppressing the parasitic OER. Our findings delineate interfacial design principles for selective electrochemical systems that utilize water as the ultimate oxidant for sustainable decarboxylation.

Production of plant protein from seeds and cake of industrial hemp: Overview of processing methods for food industry

Industrial hemp (Cannabis sativa L.) is a multifunctional raw material with a wide spectrum of applications. A huge interest in hemp has arisen in the food industry comparatively recently. Seeds and cake of hemp have the high protein content (20.00-38.70% and 27.90-40.70%, respectively), which makes them a promising raw material for production of concentrates, isolates, and hydrolysates for the food industry. Hemp cake is distinguished by the high content of fiber (17.41-60.38%) and can be used as a prebiotic component of food. In terms of the amino acid content, the amino acid composition of hemp exceeds the corresponding indicators of the reference protein recommended by WHO. The content of lysine is the only indicator, in which hemp protein is inferior to the “ideal” protein. Digestibility of protein of hulled hemp seeds is in a range from 90.8% to 97.5%, which is comparable to digestibility of casein. Digestibility of hemp isolate is 88-91%, which is 21.9% higher than that of soy protein isolate. Peptides and amino acids contained in hydrolysates of hemp protein can show the high biological activity. Hydrolysates attract interest among researchers not only because of their bioactivity but also because of their high digestibility and nutritional value. Targeted proteolysis is a tool that facilitates an improvement in the functional-technological properties of protein. Seeds and cake are a promising raw material for using in food technologies to produce vegetable oil, dietary fiber, protein preparations and functional products. The aim of this paper is to analyze the main methods for industrial hemp processing and promising directions of using protein products from waste of hemp oil production in the food industry.

Effect of hydrophobic modification and dosage of long afterglow phosphors on the properties of self-luminescent cement-based materials

Both the hydrolysis instability of original long afterglow phosphors (OLP) and limited amount of reflective powders (RP) degraded the luminescent performance of self-luminescent cement-based materials (SLCM). This study novelty proposed a solution by coating organosilicon layer on the OLP surface to create hydrophobic effect for enhancing its water resistance. Furthermore, compared with typical SLCM with low content of LP and RP, SLCM mixtures were prepared through replacing cement by LP and containing higher volume of RP according to the modified Andreasen and Andersen (A&A) model. The effects of dosage and surface modification of LP on the strength, hydration kinetics, luminescent performance, phase composition and microstructure of SLCM were examined. Hydrophobic LP (HLP) achieved similar crystal structure but changed its surface morphology as well as enhanced its water resistance. Introduction of the OLP into SLCM was liable to generate the hydrolysis products. HLP performed better in generating more hydration products but less hydrolysis products, thus formed a compact microstructure and enhanced the thermal stability. Hydration kinetics revealed that the hydrolysis reaction of OLP decreased the heat of hydration, while the hydration process was promoted by HLP. Higher dosage of LP after hydrophobic modification in SLCM helped in obtaining a better luminescent performance but caused a drastic reduction in strength. Overall, the optimal dosage of HLP in SLCM including higher volume of RP was more effective in achieving a superior luminescent performance without degrading the strength.

Enzymatic hydrolysis of chicken viscera and bones: Rest raw material characterization and evaluation of industrially relevant process parameters on product yields

Enzymatic hydrolysis is an efficient processing method for valorizing chicken rest raw material by generating new food- or feed ingredients. This paper characterizes two types of chicken rest raw material: viscera and a mixture of bones, skin and remaining meat, and evaluates how industrially relevant hydrolysis process designs affect overall yield of all products, including hydrolysate, sediment, lipid, and emulsion. Eleven hydrolyses were performed using viscera and bone materials, endogenous and commercial enzymes, pre-treatments, variations in water addition and hydrolysis times. Compared to bone materials, viscera had higher proteolytic activity, more readily water-soluble components, and lower effect of adding commercial enzymes on product yields. The process of heating the raw material to hydrolysis temperature greatly impacted product yields, representing about 50 % of the overall hydrolysate production from viscera during hydrolysis. Pre-inactivation of endogenous enzymes reduced initial, but not final, hydrolysate yields. Adding commercial enzymes to pre-inactivated viscera had no effect on yields compared to not adding enzymes. Reducing water addition lowered initial hydrolysate yield from bone material. Lipid yield reflected lipid content in the raw material, and thermal pre-separation of lipids did not increase the total lipid recovery. In general, hydrolysis of viscera generated more emulsion than the bone material.

New Derivatives of Modified Starch for Food Technology.

The food industry extensively uses chemically modified starches and their hydrolysates, which is mainly due to their emulsification ability. Therefore, it becomes inevitable to develop new starch derivatives, including modified starch hydrolysates, and effective preparation methods to meet the increasing demands of producers, consumers, and technology. This study comprehensively researches the physical, chemical, and functional properties (such as the water-binding capacity, swelling power, solubility, and fat absorption capacity) of chemically modified biopolymers and their enzymatic hydrolysis products. We utilized oxidized and acetylated potato and waxy-corn starches with varying degrees of substitution by carboxyl and acetyl groups in our research. The process of enzymatic hydrolysis was performed in a recirculated membrane reactor (CRMR). Our findings indicated that the physicochemical properties of starch derivatives and their hydrolysates depended on the biological origin of the biopolymer and the type and degree of modification. However, the presence of carboxyl groups in the modified starch molecules is critical and affects the rheological properties and water-binding capacity of the starch preparations. For example, in the case of waxy-corn starch preparations with a lower content of carboxyl groups (i.e., derivatives with a low degree of oxidation), the water-binding capacity (WBC) increases when compared to native starch. The highest WBC value of 206.3% was noted for the doubly modified waxy-corn starch with an oxidation degree of 0.2% and an acetylation degree of 2.5%, while native waxy-corn starch shows a WBC of 161.4%. In contrast, it was observed that preparations with a higher content of carboxyl groups, i.e., derivatives with an oxidation degree of 2.5%, show a lower swelling power compared to native waxy starch.

Discovering transformation products of pharmaceuticals in domestic wastewaters and receiving rivers by using non-target screening and machine learning approaches

Wastewater treatment plants (WWTPs) are an important source of pharmaceuticals in surface water, but information about their transformation products (TPs) is very limited. Here, we investigated occurrence and transformation of pharmaceuticals and TPs in WWTPs and receiving rivers by using suspect and non-target analysis as well as target analysis. Results showed identification of 113 pharmaceuticals and 399 TPs, including mammalian metabolites (n = 100), environmental microbial degradation products (n = 250), photodegradation products (n = 44) and hydrolysis products (n = 5). The predominant parent pharmaceuticals (n = 37) and transformation products (n = 68) were mainly derived from antimicrobials, accounting for 32.7 % and 17.0 %, respectively. The identified compounds were found in the influent (387–428) and effluent (227–400) of WWTPs, as well as upstream (290–451) and downstream (322–416) of receiving rivers, most predominantly from antimicrobials, followed by analgesic and antipyretic drugs. A total of 399 identified TPs were transformed by 110 pathways, of which the oxidation reaction was predominant (27.0 %), followed by photodegradation reaction (10.7 %). Of the 399 TPs, 49 (with lower PNECs) were predicted to be more toxic than their parents. Compounds with potential high risks (hazard quotient >1 and risk index (RI) > 0.1) were found in the WWTP influent (126), effluent (53) and river (61), and the majority were from the antimicrobial and antihypertensive classes. In particular, the potential risks (RI) of TPs from roxithromycin and irbesartan were found higher than those for their corresponding parents. The findings from this study highlight the need to monitor TPs from pharmaceuticals in the environment.

Relativistic coupled-cluster simulation of the kinetics of the hydrolysis of uranium hexafluoride

Uranium hexafluoride ( UF 6 ) is used ubiquitously in the nuclear fuel cycle. Its spontaneous hydrolysis in the presence of atmospheric moisture is well known but the associated reaction mechanism is poorly understood. Here a computational study was undertaken with the aim of characterizing the rate-limiting step of the hydrolysis of UF 6 under dry conditions. Toward this end, we began by examining the convergence of various energy contributions to the atomization enthalpy ( Δ H at ) of UF 6 and its hydrolysis product, UO 2 F 2 . This enabled a refinement of our previous composite method, resulting in a composite method with improved accuracy that also scales well by leveraging existing massively-parallel codes. We find that extremely high levels of theory are required to obtain Δ H at within experimental error bars, in agreement with the literature. Having calibrated our composite scheme, we proceed to investigate approximations appropriate for computing accurate binding energies and barrier heights on the potential energy surface governing the hydrolysis of UF 6 . In combination with high-accuracy relative energies, a master equation approach is used to generate rate constants, and comparisons are made with recent measurements [Richards et al., RSC Adv., 2020, 10, 34729]. Based on kinetic and equilibrium arguments, we conclude that the hydrolysis of U F 6 , when proceeding under very dry conditions, is unlikely to be initiated via U F 6 + H 2 O → UF 5 OH + HF type reactions. Finally, computed equilibrium constants and rate coefficients are tabulated for the temperature range 300–1800 K.

Optimization of the autolysis of rainbow trout viscera for amino acid release using response surface methodology

Background Due to the huge amounts of their production in Europe, their environmental impact, and the difficulty in processing them, there is a clear necessity for the valorization of rainbow trout viscera. Considering that the production of fishmeal with viscera can be problematic, and in order to make viscera more profitable, the production of fish protein hydrolysates has been considered. Although silage and enzymatic hydrolysis are the most common methods for obtaining hydrolysates, autolysis has emerged as an alternative method that uses endogenous enzymes of the viscera. Methods Considering the stability and characteristics of the enzymes, a factorial design was carried out using three variables: pH, temperature, and water content. The design resulted in 15 experiments, and the results were analyzed using response surface methodology. The optimum parameters were validated by comparing the predicted outcomes with experimental results. Additionally, a kinetics study was conducted to shorten the autolysis time. Results from autolysis were compared with those from silage and enzymatic hydrolysis in a previous study. Results The optimal conditions for achieving the highest degree of hydrolysis and yield of free amino acids (FAAs) per 100 g of viscera and per total protein were determined to be a pH of 8, a temperature of 40 ºC, and a water content of 6.85%. The pH and content of the added water were found to be significant variables during autolysis (p < 0.05). The kinetic study showed that 7 h was still required to be effective. Conclusions Autolysis achieved a lower degree of hydrolysis than silage; however, as it solubilized more protein, the global yield of free amino acids per 100 g of viscera was slightly higher. It was concluded that endogenous alkaline proteases could be used in an autolytic process to obtain a free amino acid-rich hydrolysate from trout viscera.

Insight into the effect of CaO2 addition on the prevalence and removal of antibiotic resistance genes during anaerobic sludge fermentation under ambient conditions

This study investigated the effect of CaO2 and its related hydrolysis products on the prevalence and removal of antibiotic resistance genes (ARGs) during anaerobic fermentation of waste activated sludge (WAS) under ambient conditions. Comprehensive analyses were conducted to elucidate the mechanisms underlying the effects of CaO2 addition, focusing on the microbial community structure, host bacteria, cell membrane permeability and the interaction between ARGs and environmental factors. Results showed the alkalinity, oxidation and calcium of CaO2 synergistically contributed to the elimination of ARGs. The top ARGs, such as sulI, sulII, tetC, tetX and ereA, were effectively reduced by 43.9–84.9 % with CaO2 addition during the ambient anaerobic fermentation. Ca(OH)2 treatment also shows good effectiveness in removing typical ARGs, followed by H2O2 treatment, while NaOH treatment increases ARGs abundance and raise the risk of their transmission. Among the influencing factors, the abundance and diversity of microbial community, organic matters, calcium and pH were the primary factors for ARGs migration. The effective reduction of Proteobacteria was an important reason for the removal of typical ARGs, particularly sulfonamide resistance genes. CaO2 also downregulated the relative abundance of autoinducer and functional genes related to outer membrane proteins (OMPs) and ARGs dissemination, thereby inhibiting ARGs transmission. This work provides a deep insight into the advantage of CaO2 in reducing ARGs, thus expanding its potential application in sludge treatment and ARGs elimination.