Reaction Products Research Articles

How numerical simulations helped to achieve breakeven on the NIF

The inertial confinement fusion program relies upon detailed simulations with inertial confinement fusion (ICF) codes to design targets and to interpret the experimental results. These simulations treat as much physics from essential principles as is practical, including laser deposition, cross beam energy transfer, x-ray production and transport, nonlocal thermal equilibrium kinetics, thermal transport, hydrodynamic instabilities, thermonuclear burn, and transport of reaction products. Improvements in radiation hydrodynamic code capabilities and vast increases in computing power have enabled more realistic, accurate 3D simulations that treat all known asymmetry sources. We describe how numerical simulations helped to guide the program, assess the impediments to breakeven, and optimize every aspect of target design. A preshot simulation of the first National Ignition Facility experiment that surpassed breakeven predicted an increased yield that matches the experimental result, within the preshot predicted uncertainty, with a target gain of 1.5. We will cover the key developments in Lawrence Livermore National Laboratory ICF codes that enabled these simulations and give specific examples of how they helped to guide the program.

Mitigation of acrylamide in fried food systems using a combination of zein-pectin hydrocolloid complex and a food-grade l-asparaginase

Acrylamide, a Maillard reaction product, formed in fried food poses a serious concern to food safety due to its neurotoxic and carcinogenic nature. A “Green Approach” using L-Asparaginase enzyme from GRAS-status bacteria synergized with hydrocolloid protective coating could be effective in inhibiting acrylamide formation. To fill this void, this study reports a new variant of type-II L-asparaginase (AsnLb) from Levilactobacillus brevis NKN55, a food-grade bacterium isolated using a unique metabolite profiling approach. The recombinant AsnLb enzyme was characterized to study acrylamide inhibition ability and showed excellent specificity towards L-asparagine (157.2 U/mg) with Km, Vmax of 0.833 mM, 4.12 mM/min respectively. Pretreatment of potato slices with AsnLb (60 IU/mL) followed by zein-pectin nanocomplex led to >70 % reduction of acrylamide formation suggesting synergistic effect of this dual component system. The developed strategy can be employed as a sustainable treatment method by food industries for alleviating acrylamide formation and associated health hazard in fried foods.

Kinetics of diffusion and phase formation in a solid-state reaction in Al/Au thin films

The kinetics of diffusion and formation of Al-Au intermetallic compounds in a solid-state reaction between layers of aluminum and gold has been studied by the method of in situ electron diffraction. The phase sequence in the solid-state reaction in Al/Au thin films is found to depend on the atomic ratio of aluminum and gold at the initial state. Specifically, with the atomic ratio being Al:Au=2:1, one observes the formation sequence: Al3Au8→AlAu2→Al2Au, while with the ratio Al:Au=1:4, the sequence is Al3Au8→AlAu4. The observed change in the sequence is explained using the theoretical model of EHF (Effective Heat of Formation). The kinetic parameters of the diffusion of gold through the layer of reaction products in the Al/Au thin films have been determined, including the apparent activation energy of the diffusion Ea=1.17eV and pre-exponential factor D0=120 cm2/s. Based on the data obtained by in situ electron diffraction, the kinetic parameters of the phase formation have been estimated by the Kissinger-Akahira-Sunose method. In addition, the kinetic parameters of the formation of the Al-Au intermetallic compounds have been determined (apparent activation energy Ea, pre-exponential factor A) in the solid-state reaction in the Al/Au thin films, namely, Ea = 0.77eV, log(A, s-1) = 9 for Al3Au8; Ea = 1.08eV, log(A, s-1) = 13 for AlAu2; Ea = 1.13eV, log(A, s-1) = 13 for Al2Au; and Ea = 1.35eV, log(A, s-1) = 16 for the phase AlAu4. The kinetic parameters of the formation of the AlAu4 phase have been estimated for the first time.

Effect of Exposure Conditions on Mortar Subjected to an External Sulfate Attack.

This study aims to investigate the influence of exposure conditions on the behavior of mortar subjected to an external sulfate attack (ESA). Three different exposure conditions (full immersion, semi-immersion, and drying/wetting cycles) were tested on mortar prisms made with Portland cement and two w/c ratios (0.45 and 0.6). To monitor degradation, it was necessary to evaluate variations in length (expansion), mass changes, compressive and tensile strengths, changes in the total porosity measured using water accessible porosity tests, and changes in the macroscopic behavior of the samples. Mercury intrusion porosimetry (MIP) was used to determine the size distribution of the pores. It was demonstrated that mixing mortar with the lower w/c ratio of 0.45 results in improved performance against an ESA. This study also demonstrates that the type of exposure to an ESA has no significant effect on the kinetics of sulfate penetration during the exposure period. However, the sample's surface becomes more cracked when subjected to repeated drying and wetting cycles. For all the considered exposure conditions, expansion occurred in three stages. In stage 1, the reaction product (ettringite) precipitated in large voids, without causing significant expansion (the expansion remained low and stable). During the second stage, the reaction products generated growing internal stress. The final stage of expansion resulted in microcracks, strength losses, and the formation of macropores, which ultimately lead to material failure. The MIP results indicate that major changes in the porosity and pore volume distribution occur at the surface layer in regard to the gel and capillary pore ranges.

Mechanochemical preparation and performance evaluations of bitumen-used waste polypropylene modifiers

The value-added recycling of waste polypropylene (PP) as asphalt modifiers has been a popular research topic in recent years, but high blending temperatures and asphalt smoke emissions are difficult issues that have not been solved. Therefore, this study innovatively used phthalic anhydride (PA) and catalysts (NHPI or BPO) to mechanochemically turn waste PP into different reaction products as bitumen-use PP modifiers (PPM(N) & PPM(B)). To well understand the physicochemical characteristics of PPMs, thermogravimetric analysis, torque rheology, and scanning electron microscopy were adopted and analyzed. Furthermore, the penetration, softening point, viscosity, storage stability, and dynamic shear rheology (DSR) tests were also carried out to study the performance differences of their PP modified asphalt (PPMA(N) & PPMA(B)). The main results showed that the PPM(N) continues being degraded with PA, but BPO-degraded PP conversely gets chemical connections with PA. With the effects of NHPI and BPO, all PPMs can improve the deformation resistance of virgin bitumen, even at higher temperatures, but as the PA content increases, this performance will gradually deteriorate for PPMA(N) and shows a slight improvement for PPMA(B). The appropriate use of PA can decrease the mixing temperature of PPM(N) with virgin bitumen and improve the storage stability of PPMA binders, and will not significantly sacrifice the resistances of its PPMA(N) to deformation, while with the addition of PA, the mixing temperatures of PPM(B) and virgin bitumen will not be decreased as expected and the resistances of PPMA(B) to deformation remain unchanged. Overall, the proposed mechanochemical method can work out to well address the high-quality recycling and reuse issue of waste PP for its large-scale application in asphalt pavement.

Chemical Transformations of Benzyl Alcohol Caused by Atomic Chlorine.

Atomic chlorine present in the polluted troposphere can form potentially carcinogenic compounds as a result of a reaction with a natural product. This paper examines the stability of benzyl alcohol-a natural product commonly found in cosmetics-in interaction with atomic chlorine, which is becoming ever more present in the Earth's atmosphere as a result of its pollution. Research shows that atomic chlorine generated in the gas phase easily penetrates the liquid phase of benzyl alcohol, resulting in the formation of hydrochloric acid. The resulting HCl initiates further transformations of benzyl alcohol. Our study presents the amounts of the reaction products. The quantitative analysis was made using the GC method, and all the products were identified using the GC-MS method. The products include dichloromethyl benzene, 2-chlorobenzyl alcohol, and 3-chlorobenzyl alcohol, which are harmful, but are formed in very small amounts. The harmful substance occurring in a much higher amount is benzyl chloride-that is a product of acidification of benzyl alcohol by HCl.

Influence of non-valve metal phase on growth behavior and performance of PEO coating on Mg–Zn–Mn alloys with high Mn content

The influence of pure metal phases (precipitation or reinforcement phases) on the PEO discharge and coating growth in Mg alloys remains underexplored. This study investigated the effects of the α-Mn phase on voltage evolution, coating morphology, phase composition, and corrosion resistance by subjecting Mg–4Zn-xMn (x = 0, 0.6, 1.2, 2.4 wt%) alloys to PEO treatment in alkaline silicate-based electrolyte. Results indicate that the presence of α-Mn does not prevent spark discharge. However, an increase in α-Mn content leads to a downward shift in the voltage-time curve. The α-Mn phase significantly slows down the voltage ascent rate and prolongs the duration of Stages I to III of PEO process. Electrochemical oxidation of the surrounding Mg matrix by the α-Mn phase induces the formation of pits and porous local morphologies, exacerbating coating unevenness. With the increasing in Mn content, the thickness and porosity of PEO coatings gradually decrease for the same treatment time. The coated Mg–4Zn-1.2Mn alloy exhibits the highest corrosion resistance. The differences in oxidizability between the α-Mn phase and the Mg matrix, as well as the stability and dielectric properties of the oxide products may be the underlying reasons for these effects. Despite Mn oxides' instability under alkaline conditions at high potentials, reaction products with the electrolyte offset this drawback. This study enhances understanding of pure metal phases' influence on Mg alloy PEO and contributes to research on PEO processes for Mg-based materials containing pure metal phases.

Discovery, characterization, and comparative analysis of new UGT72 and UGT84 family glycosyltransferases

Glycosylated derivatives of natural product polyphenols display a spectrum of biological activities, rendering them critical for both nutritional and pharmacological applications. Their enzymatic synthesis by glycosyltransferases is frequently constrained by the limited repertoire of characterized enzyme-catalyzed transformations. Here, we explore the glycosylation capabilities and substrate preferences of newly identified plant uridine diphosphate (UDP)-dependent glycosyltransferases (UGTs) within the UGT72 and UGT84 families, with particular focus on natural polyphenol glycosylation from UDP-glucose. Four UGTs are classified according to their phylogenetic relationships and reaction products, identifying them as biocatalysts for either glucoside (UGT72 enzymes) or glucose ester (UGT84 members) formation from selected phenylpropanoid compounds. Detailed kinetic evaluations expose the unique attributes of these enzymes, including their specific activities and regio-selectivities towards diverse polyphenolic substrates, with product characterizations validating the capacity of UGT84 family members to perform di-O-glycosylation on flavones. Sequence analysis coupled with structural predictions through AlphaFold reveal an unexpected absence of a conserved threonine residue across all four enzymes, a trait previously linked to pentosyltransferases. This comparative analysis broadens the understood substrate specificity range for UGT72 and UGT84 enzymes, enhancing our understanding of their utility in the production of natural phenolic glycosides. The findings from this in-depth characterization provide valuable insights into the functional versatility of UGT-mediated reactions.

New Method for Obtaining Carboxylic Derivatives of Oxazolo[5,4-b]pyridine Based on 3-Aminopyridine-2(1H)-ones

Current methods for synthesis of oxazolo[5,4-b]- and oxazolo[4,5-b]pyridines have several limitations, such as severe reaction conditions, lengthy reaction times, low yields and concurrent formation of side reaction products. This article presents the results of study focused on a one-step method for the synthesis of new derivatives of oxazolo[5,4-b]pyridine incorporating an aliphatic carboxylic group as a linker. During the investigation of acylation reactions of 3-aminopyridine-2(1H)-ones with cyclic anhydrides of dicarboxylic acids (succinic, maleic and glutaric), it was found that the monoamides formed at the initial stage undergo intramolecular cyclization yielding derivatives of oxazolo[5,4-b]pyridine. Subsequently, the reaction conditions were studied and optimized to achieve the target compounds with high yield and purity. The potential anti-inflammatory activity of the obtained derivatives of oxazolo[5,4-b]pyridine was evaluated by molecular docking method using AutoDock Vina software. Compounds 11-14b exhibited higher binding affinity with the selected target protein Prostaglandin synthase-2 (1CX2) compared to the reference anti-inflammatory drug diclofenac. Thus, taking into account the results of in silico analyses, the newly synthesized oxazolo[5,4-b]pyridine derivatives based on 3-aminopyridine-2(1H)-ones are promising candidates for further investigation of their potential anti-inflammatory activity through in vivo methods.

Into the Void: Single Nanopore in Colloidally Synthesized Bi2Te3 Nanoplates with Ultralow Lattice Thermal Conductivity.

Bi2Te3 is a well-known thermoelectric material that was first investigated in the 1960s, optimized over decades, and is now one of the highest performing room-temperature thermoelectric materials to-date. Herein, we report on the colloidal synthesis, growth mechanism, and thermoelectric properties of Bi2Te3 nanoplates with a single nanopore in the center. Analysis of the reaction products during the colloidal synthesis reveals that the reaction progresses via a two-step nucleation and epitaxial growth: first of elemental Te nanorods and then the binary Bi2Te3 nanoplate growth. The rates of epitaxial growth can be controlled during the reaction, thus allowing the formation of a single nanopore in the center of the Bi2Te3 nanoplates. The size of the nanopore can be controlled by changing the pH of the reaction solution, where larger pores with diameter of ∼50 nm are formed at higher pH and smaller pores with diameter of ∼16 nm are formed at lower pH. We propose that the formation of the single nanopore is mediated by the Kirkendall effect and thus the reaction conditions allow for the selective control over pore size. Nanoplates have well-defined hexagonal facets as seen in the scanning and transmission electron microscopy images. The single nanopores have a thin amorphous layer at the edge, revealed by transmission electron microscopy. Thermoelectric properties of the pristine and single-nanopore Bi2Te3 nanoplates were measured in the parallel and perpendicular directions. These properties reveal strong anisotropy with a significant reduction to thermal conductivity and increased electrical resistivity in the perpendicular direction due to the higher number of nanoplate and nanopore interfaces. Furthermore, Bi2Te3 nanoplates with a single nanopore exhibit ultralow lattice thermal conductivity values, reaching ∼0.21 Wm-1K-1 in the perpendicular direction. The lattice thermal conductivity was found to be systematically lowered with pore size, allowing for the realization of a thermoelectric figure of merit, zT of 0.75 at 425 K for the largest pore size.

Dietary Exposure to Acrylamide Has Negative Effects on the Gastrointestinal Tract: A Review.

Changing eating habits and an increase in consumption of thermally processed products have increased the risk of the harmful impact of chemical substances in food on consumer health. A 2002 report by the Swedish National Food Administration and scientists at Stockholm University on the formation of acrylamide in food products during frying, baking and grilling contributed to an increase in scientific interest in the subject. Acrylamide is a product of Maillard's reaction, which is a non-enzymatic chemical reaction between reducing sugars and amino acids that takes place during thermal processing. The research conducted over the past 20 years has shown that consumption of acrylamide-containing products leads to disorders in human and animal organisms. The gastrointestinal tract is a complex regulatory system that determines the transport, grinding, and mixing of food, secretion of digestive juices, blood flow, growth and differentiation of tissues, and their protection. As the main route of acrylamide absorption from food, it is directly exposed to the harmful effects of acrylamide and its metabolite-glycidamide. Despite numerous studies on the effect of acrylamide on the digestive tract, no comprehensive analysis of the impact of this compound on the morphology, innervation, and secretory functions of the digestive system has been made so far. Acrylamide present in food products modifies the intestine morphology and the activity of intestinal enzymes, disrupts enteric nervous system function, affects the gut microbiome, and increases apoptosis, leading to gastrointestinal tract dysfunction. It has also been demonstrated that it interacts with other substances in food in the intestines, which increases its toxicity. This paper summarises the current knowledge of the impact of acrylamide on the gastrointestinal tract, including the enteric nervous system, and refers to strategies aimed at reducing its toxic effect.

The kinetic and experimental study for the pyrolysis of hydrotreated and non-hydrotreated coking distillated fractions

AbstractThe purpose of this study is the pyrolysis of the distilled fractions obtained in the coking process as such and hydrotreated with the aim of diversifying the feedstock used in pyrolysis. The application of hydrotreating followed by pyrolysis, determines the reduction of the aromatic and olefinic hydrocarbons content in the feedstock, which leads to the improvement of the distribution of the reaction products and the decrease in the level of coke deposits, compared to the pyrolysis of non-hydrotreated distillate fractions. This study also aims to calculate the kinetic parameters of the pyrolysis process for non-hydrotreated and hydrotreated coking fraction at three equivalent temperatures: T = 680 °C, T = 695 °C, T = 705 °C. Graphical abstract

Open Active Sites in Ni-Based MOF with High Oxidation States for Electrooxidation of Benzyl Alcohol.

The kinetics of electrocatalytic reactions are closely related to the number and intrinsic activity of the active sites. Open active sites offer easy access to the substrate and allow for efficient desorption and diffusion of reaction products without significant hindrance. Metal-organic frameworks (MOFs) with open active sites show great potential in this context. To increase the density of active sites, trimesic acid was utilized as a ligand to anchor more Ni sites and in situ construct the nickel foam-loaded Ni-based trimesic MOF electrocatalyst (Ni-TMA-MOF/NF). When tested as an electrocatalyst for benzyl alcohol oxidation, Ni-TMA-MOF/NF exhibited lower overpotential and superior durability compared to Ni foam-loaded Ni-based terephthalic MOF electrocatalyst (Ni-PTA-MOF/NF) and Ni(OH)2 nanosheet array (Ni(OH)2/NF). Ni-TMA-MOF/NF required only a low potential of 1.65 V to achieve a high current density of 400 mA cm-2. Even after 40000 s of electrocatalytic oxidation at 1.5 V, Ni-TMA-MOF/NF maintained a current density of 175 mA cm-2 with ∼68% retention, showing its potential for benzyl alcohol oxidation. Through a combination of experimental and theoretical investigations, it was found that Ni-TMA-MOF/NF displayed superior electrocatalytic activity due to an optimized electron structure with high-valence Ni species and a high density of active sites, enabling long-term stable operation at high current densities. This study provides a new perspective on the design of electrocatalysts for benzyl alcohol oxidation.

PEPICO analysis of catalytic reactor effluents towards quantitative isomer discrimination: DME conversion over a ZSM-5 zeolite.

The methanol-to-hydrocarbons (MTH) process involves the conversion of methanol, a C1 feedstock that can be produced from green sources, into hydrocarbons using shape-selective microporous acidic catalysts - zeolite and zeotypes. This reaction yields a complex mixture of species, some of which are highly reactive and/or present in several isomeric forms, posing significant challenges for effluent analysis. Conventional gas-phase chromatography (GC) is typically employed for the analysis of reaction products in laboratory flow reactors. However, GC is not suitable for the detection of highly reactive intermediates such as ketene or formaldehyde and is not suitable for kinetic studies under well defined low pressure conditions. Photoelectron-photoion coincidence (PEPICO) spectroscopy has emerged as a powerful analytical tool for unraveling complex compositions of catalytic effluents, but its availability is limited to a handful of facilities worldwide. Herein, PEPICO analysis of catalytic reactor effluents has been implemented at the FinEstBeAMS beamline of MAX IV Laboratory. The conversion of dimethyl ether (DME) on a zeolite catalyst (ZSM-5-MFI27) is used as a prototypical model reaction producing a wide distribution of hydrocarbon products. Since in zeolites methanol is quickly equilibrated with DME, this reaction can be used to probe vast sub-networks of the full MTH process, while eliminating or at least slowing down methanol-induced secondary reactions and catalyst deactivation. Quantitative discrimination of xylene isomers in the effluent stream is achieved by deconvoluting the coincidence photoelectron spectra.

Ocena ryzyka przypadkowej inicjacji półfabrykatów zawierających artykuły pirotechniczne o przeznaczeniu technicznym w branży motoryzacyjnej

The identification of the danger of accidental initiation, respectively the establishment of the causes and the possibilities that can generate the triggering of pyrotechnic devices with a technical destination in the automotive field containing pyrotechnic articles of the P1 category, is carried out for each piece of equipment depending on the phases of the technological process of their manufacture. The protection against the accidental initiation of pyrotechnic devices intended for equipping auto vehicles is of particular interest for occupational safety in the manufacturing process of these types of products, because their triggering can endanger the life and health of workers as a result of the uncontrollable effects of functioning, with the generation of thermal and dynamic effects, as well as the emission of toxic reaction products that can affect the human component and/or destroy the work space. The paper highlights the way to analyse the risk of accidental initiation of pyrotechnic devices actuator type from the P1 category, using the latest generation technical-scientific tools in order to computerize the effects following their untimely triggering and establish the safety distances in relation to the amplitude of the degree of damage to the human component, respectively the destruction caused to the work space. In the case of pyrotechnic articles from category P1 type pyrotechnic actuator, the main risks of their accidental initiation are determined by the following technical factors: the production of an electrical discharge greater than 25 KV, the generation of a current with an intensity greater than 0.4 A at the terminals pyrotechnic device, their exposure to a temperature higher than 165°C. The main effects generated after the untimely initiations of these products are determined by: flame, thermal radiation, dynamic pressure waves, projected fragments and hazardous releases of chemical combustion products. Depending on the results obtained following the estimation and assessment of the assessed risks, preventive and countermeasures of a technical and organizational nature are established, in order to secure the predicTab. operations of specific operations with these types of products.

Engineering properties optimization of dispersive soil by calcium silicate waste—The role of steel-making slag

Steel slag (SS) is a byproduct that comes from the production of crude steel in alkaline oxidation furnaces. Resource utilization of steel slag, a calcium-silicon solid waste, is an urgent problem. This paper investigates a solid waste disposal method that applies different steel slag contents to modify dispersive soil. The engineering properties and modification mechanisms of dispersive soil specimens are studied and revealed by performing microstructure, mineral evolution, unconfined compressive strength (UCS), and tensile strength analysis. The pinhole test, mud ball crumb test (BCT), and mud cube crumb test (CCT) were carried out to determine the dispersivity of the soil specimens. Results show that when the steel slag content increases from 1% to 10%, the unconfined compressive strength and tensile strength increase by 176.05% and 75.40%, respectively. For soil specimens without curing time under 50 mm water head, the weight loss of the specimen with 10% steel slag content decreases by 72.03% compared to specimens with 1% steel slag content. Microstructural and mineralogical analyses indicate that the hydration reaction of steel slag changes the ionic composition of the soil and generates reaction products with effects such as filling and connection. To sum up, steel slag effectively improves water stability and mechanical properties of dispersive soil.

Ordering Bimetallic Cu‐Pd Catalysts onto Orderly Mesoporous SrTiO3‐Crystal Nanotubular Networks for Efficient Carbon Dioxide Photoreduction

AbstractArtificial photosynthesis of fuels has garnered significant attention, with SrTiO3 emerging as a potential candidate for photocatalysis due to its exceptional physicochemical properties. However, selectively converting CO2 into fuels with desired reaction products remains a grand challenge. Herein, we design an updated method via an aging strategy based on the electrospinning technique to synthesize a single‐crystalline Al‐doped SrTiO3 nanotubular networks with self‐assembled orderly mesopores, further modified by Cu−Pd alloy. It exhibits both high crystallinity and superior cross‐linked mesoporous structures, effectively facilitating charge carrier transfer, photon utilization, and mass transfer, with a remarkable enhancement from 0.025 mmol h−1 m−2 to 1.090 mmol h−1 m−2 in the CO production rate. Meanwhile, the ordered arrangement of Cu and Pd atoms on the (111) surface can promote the rate‐determining step (*CO2 to *COOH), which is also responsible for its good activity. The presence of CuO in the reaction confers a significant advantage for CO desorption, leading to a remarkable CO selectivity of 95.54 %. This work highlights new insights into developing advanced heterogeneous photocatalysts.

Efficient Depolymerization of Poly(ethylene 2,5-furanoate) Using Polyester Hydrolases.

Poly(ethylene 2,5-furanoate) (PEF) is considered to be the next-generation green polyester and is hailed as a rising star among novel plastics. It is biobased, is nontoxic, and has comparable or improved properties compared to polyethylene terephthalate (PET). Biobased PEF offers lower life-cycle greenhouse gas emissions than PET. However, with its industrial production starting soon, relatively little is known about its actual recyclability. This work reports on the near complete depolymerization of PEF using two efficient PET hydrolases, FastPETase and leaf compost-cutinase (LCC), at loadings 4.5-17 times lower than previously reported. FastPETase and LCC exhibited maximum depolymerization of PEF, measured by weight loss and 2,5-furandicarboxylic acid (FDCA) production, using potassium phosphate-NaOH buffer at 50 and 65 °C, respectively. The 98% depolymerization of 13 g L-1 PEF film was achieved by three additions of the LCC in 72 h, while 78% weight loss was obtained using FastPETase in controlled conditions. Nonetheless, 92% weight loss was obtained with FastPETase when using only 6 g L-1 PEF. The main reaction products were identified as FDCA, ethylene glycol, and mono(2-hydroxyethyl)-furanoate. LCC performed better than FastPETase, in terms of both FDCA release and weight loss. The effect of crystallinity was evident on the enzymes' performance, as only 4% to 7% weight loss of crystalline PEF (32%) was recorded. Microscopy studies of the treated PEF films provided information on the surface erosion processes and revealed higher resistance of the crystalline phase, explaining the low level of depolymerization. The study presents important insights into the enzymatic hydrolysis of biobased PEF material and paves the path toward more viable applications within biopolymer waste recycling.

Optimal Dynamic Regimes for CO Oxidation Discovered by Reinforcement Learning.

Metal nanoparticles are widely used as heterogeneous catalysts to activate adsorbed molecules and reduce the energy barrier of the reaction. Reaction product yield depends on the interplay between elementary processes: adsorption, activation, desorption, and reaction. These processes, in turn, depend on the inlet gas composition, temperature, and pressure. At a steady state, the active surface sites may be inaccessible due to adsorbed reagents. Periodic regime may thus improve the yield, but the appropriate period and waveform are not known in advance. Dynamic control should account for surface and atmospheric modifications and adjust reaction parameters according to the current state of the system and its history. In this work, we applied a reinforcement learning algorithm to control CO oxidation on a palladium catalyst. The policy gradient algorithm was trained in the theoretical environment, parametrized from experimental data. The algorithm learned to maximize the CO2 formation rate based on CO and O2 partial pressures for several successive time steps. Within a unified approach, we found optimal stationary, periodic, and nonperiodic regimes for different problem formulations and gained insight into why the dynamic regime can be preferential. In general, this work contributes to the task of popularizing the reinforcement learning approach in the field of catalytic science.

Impact of a minimally processing route for the production of infant formulas on their sensory properties

Infant formulas (IFs), the sole adequate substitute to human milk, undergo several thermal treatments during production that can damage milk proteins and promote the formation of Maillard reaction products, modifying nutritional and sensory properties. The aim of this study was to determine the impact of a minimally processing route based on membrane filtration associated with different levels of heat treatment, on the odor, taste, texture and color attributes of IFs, then to compare with those of commercial milks. Three experimental IFs (produced with membrane filtration associated with low - T-, medium - T+, or high thermal treatments - T+++) were evaluated. Triangular tests conducted with a panel of 50 adults highlighted clear disparities between all the IFs. The same panel applied the Check-All-That-Apply method to evaluate the IFs: the range of variability between T- and T+++ was similar to that between the 2 commercial IFs, and the sensory characteristics of the experimental IFs were not far from the commercial brands for flavor and texture attributes. Analysis performed on the citation frequencies for each descriptor differentiated T-/T+ from T+++, but all the experimental IFs were described with positive sensory characteristics, unlike one commercial IF. Volatile organic compounds (VOCs) content of IFs with low and high thermal treatments were analyzed. Forty VOCs were identified by gas chromatography-mass spectrometry. T- contained a higher quantity of VOCs than T+++, except for benzaldehyde (Maillard reaction product), and aldehydes (oxidation-related products) were the most represented compounds. In conclusion, the processing was associated with sensory differences among IFs, but no marked difference in flavors was found according to CATA and physicochemical analysis. Additionally, no unpleasant sensory descriptors were noted. This shows that the minimally processed route leads to IFs that could fit well within the market from a sensory point of view.