Kinetic Experiments Research Articles

Flotation separation of lithium–ion battery electrodes predicted by a long short-term memory network using data from physicochemical kinetic simulations and experiments

Anode and cathode active materials from spent lithium–ion batteries may be recovered and potentially used in new batteries to promote recycling and resource circulation. Froth flotation was applied to pristine active materials and the black mass obtained from pretreated spent batteries. Flotation kinetics was simulated with the use of computational fluid dynamics and surface chemistry. Bubble surface coverage and entrainment in the flotation kinetics model were selected and optimized by systematic fitting to experimental data. Entrainment influences the recovery and grade of the active materials. The optimized flotation kinetics model was used for generating additional data that, along with the fitted data, were used to train a deep learning neural network. The trained network was validated using anode–cathode and black mass flotation experiments, and its predictions showed a maximum residual error of 0.18 ± 0.11 recovery. The simulation framework was developed into a desktop application that predicts the flotation behavior of active materials. It provides information for estimating results following operational and physicochemical changes and for optimizing flotation processes. Finally, recovered anode active materials from black mass were selected for coin cell tests. The coulombic efficiency of these coin cells was initially lower (86.8 %) than that of cells made with pristine graphite particles (98.4 %).

Preparation and Utilization of a Highly Discriminative Absorbent Imprinted with Fetal Hemoglobin.

Development in hemoglobin-based oxygen carriers (HBOCs) that may be used as alternatives to donated blood requires an extensive supply of highly pure hemoglobin (Hb) preparations. Therefore, it is essential to fabricate inexpensive, stable and highly selective absorbents for Hb purification. Molecular imprinting is an attractive technology for preparing such materials for targeted molecular recognition and rapid separations. In this case study, we developed human fetal hemoglobin (HbF)-imprinted polymer beads through the fusion of surface imprinting and Pickering emulsion polymerization. HbF was firstly covalently coupled to silica nanoparticles through its surface-exposed amino groups. The particle-supported HbF molecules were subsequently employed as templates for the synthesis of molecularly imprinted polymers (MIPs) with high selectivity for Hb. After removing the silica support and HbF, the resulting MIPs underwent equilibrium and kinetic binding experiments with both adult Hb (HbA) and HbF. These surface-imprinted MIPs exhibited excellent selectivity for both HbA and HbF, facilitating the one-step isolation of recombinant Hb from crude biological samples. The saturation capacities of HbA and HbF were found to be 15.4 and 17.1 mg/g polymer, respectively. The present study opens new possibilities for designed resins for tailored protein purification, separation and analysis.

Molecular insights into the interaction between graphene oxide and β-galactosidase: From multispectral experiment, enzyme kinetics experiment to computational simulations

β-galactosidase has potential applications in various scientific disciplines, including the food industry, genetic engineering, and enzyme engineering. In this study, multi-spectral experiments combined with enzyme kinetics experiments and computational simulation were used to explore the interaction mechanism, structural and functional changes, and effects on the microenvironment of graphene oxide and β-galactosidase. Graphene oxide was synthesized using the improved Hummer method, and the characterization experiments demonstrated that the structure was flat and free of cracks, and the functional groups satisfied the required amount. Zeta potential experiments and molecular docking results jointly confirmed that graphene oxide and β-galactosidase were combined by van der Waals forces, electrostatic forces, and hydrophobic forces. Fluorescence quenching experiments showed that the quenching constant decreased from 2.90 × 1012 mLμg-1s−1 to 1.76 × 1012 mLμg−1 s−1 with the increase of temperature, indicating that the quenching mode was static quenching, accompanied by increased polarity and decreased hydrophilicity of β-galactosidase. Circular Dichroism Spectrum, Fourier Transform infrared spectroscopy, the ONPG experiment, and molecular dynamics simulation proved that the stability and activity of β-galactosidase were improved after binding with graphene oxide. These findings provide support for the potential applications of β-galactosidase in addressing lactose intolerance, optimizing gene expression efficiency, and developing innovative biosensors or bioprocessing systems.

Magnetic particle spray mass spectrometry for the determinationof beta-blockers in plasma samples.

Magnetic particle spray mass spectrometry (MPS-MS), an innovative ambient ionization technique proposed by our research group, was employed to determine beta-blockers in human plasma samples. A dispersive solid phase extraction of atenolol, metoprolol, labetalol, propranolol, nadolol, and pindolol was carried out using magnetic molecularly imprinted polymer (M-MIP) particles that were attached to the tip of a metal probe, which was placed in the mass spectrometer inlet. A solvent (1% formic acid in methanol) was dispensed on the particles, and the Taylor cone was formed around them (in high voltage). The analytes were desorbed/ionized and determinedby a triple quadrupole mass spectrometer. M-MIP was synthesized with oxprenolol as a pseudo-template, demonstrating good selectivity to beta-blockers compared withno-analog molecules, with an adsorption process occurring in monolayers, according to isotherm studies. Kinetic experiments indicated chemisorption as the predominant M-MIP/analyte interaction. The analytical curves were linear (R2 > 0.98), and the limit of quantification was 3µg L-1 for all the analytes. Limits of detection ranged from 0.64 to 2.41µg L-1. Precisions (relative standard deviation) and accuracies (relative error) ranged from 3.95 to 21.20% and-17.05 to 18.93%, respectively. MPS-MS proved to be a simple, sensitive, and advantageous technique comparedwithconventional approaches. The analyses were fast, requiring no chromatographic separation and without ionic suppression. The method is aligned with green chemistry principles, requiring minimal sample, solvent, and sorbent amounts. MPS-MS successfully integrates sample preparation and ambient ionization mass spectrometry and holds great potential for application with other sorbents, samples, and analytes.

Prenylated Flavanone Enantiomers with α-Glucosidase Inhibitory Activity from the Root Bark of Morus alba.

A focused chemical investigation into the polar fractions of a well-known traditional Chinese medicine called Sang-Bai-Pi (the root bark of Morus alba) yielded a panel of prenylated flavanones. The new compounds were identified as four pairs of enantiomers (1a/1b-4a/4b) featuring the same constitution structure, on the basis of HRMS, NMR and ECD analyses. Several previously reported known racemic co-metabolites were also analyzed and separated by HPLC on chiral columns, and the absolute configurations of pure enantiomers were established via ECD technique for the first time. The inhibition of these isolates against the antidiabetic target α-glycosidase was further tested, with most of them showing decent inhibitory activity compared with the positive control acarbose. The interaction mechanism of two selected compounds (3a & 4b) was explored by kinetics experiment, which revealed a mixed type of inhibition pattern toward the enzyme.

Insight into the micro-mechanism of hydrate-based methane storage from active ice

Gas hydrate formation in active ice holds significant potential for solidified natural gas storage, while the deep understanding of its micro-mechanism is required for the futural application of such a technology. In this study, the kinetics and micro-properties of methane hydrate formation enhanced by active ice (porous ice containing an unfrozen solution layer of sodium dodecyl sulfate) were investigated via experiments and molecular dynamics (MD) simulations. Raman spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray diffraction (XRD) differential scanning calorimetry (DSC) characterization, and in-situ visual observation confirmed the formation of sI methane hydrate in the active ice system and the occurrence of single-crystal hydrate, and also indicated the occurrence of active water near the surface of porous active ice during the active ice formation. A sensitivity analysis of the hydrate kinetics experiments suggested that temperature is the primary driver of rapid methane hydrate formation in the active ice system. The shortest induction time and t90 for hydrate formation were recorded at 5 s and 5.5 min, respectively. Furthermore, MD simulations indicated that the direct hydrate nucleation and growth in the active water, heat transfer from gas hydrate to ice, and the diffusion of active water (1.24 × 10-9 m2/s) and methane (7.10 × 10-8 m2/s) into the porous ice structure are the primary mechanism that enhances hydrate formation kinetics and methane storage capacity. This work provides an essential microscopic mechanism of the “active ice → active water → gas hydrate” circulation that contributes to the deep understanding and futural application of the efficient hydrate-based solidified methane storage in active ice system.

UGT2B10 is the Major UDP-Glucuronosyltransferase 2B Isoform Involved in the Metabolism of Lamotrigine and is Implicated in the Drug-Drug Interaction with Valproic Acid.

Lamotrigine is a phenyltriazine anticonvulsant that is primarily metabolized by phase II UDP-glucuronosyltransferases (UGT) to a quaternary N2-glucuronide, which accounts for ~ 90% of the excreted dose in humans. While there is consensus that UGT1A4 plays a predominant role in the formation of the N2-glucuronide, there is compelling evidence in the literature to suggest that the metabolism of lamotrigine is catalyzed by another UGT isoform. However, the exact identity of the UGT isoform that contribute to the formation of this glucuronide remains uncertain. In this study, we harnessed a robust reaction phenotyping strategy to delineate the identities and its associated fraction metabolized (fm) of the UGTs involved in lamotrigine N2-glucuronidation. Foremost, human recombinant UGT mapping experiments revealed that the N2-glucuronide is catalyzed by multiple UGT isoforms. (i.e., UGT1A1, 1A3, 1A4, 1A9, 2B4, 2B7, and 2B10). Thereafter, scaling the apparent intrinsic clearances obtained from the enzyme kinetic experiments with our in-house liver-derived relative expression factors (REF) and relative activity factors (RAF) revealed that, in addition to UGT1A4, UGT2B10 was involved in the N2-glucuronidation of lamotrigine. This was further confirmed via chemical inhibition in human liver microsomes with the UGT1A4-selective inhibitor hecogenin and the UGT2B10-selective inhibitor desloratadine. By integrating various orthogonal approaches (i.e., REF- and RAF-scaling, and chemical inhibition), we quantitatively determined that the fm for UGT1A4 and UGT2B10 ranged from 0.42 - 0.64 and 0.32 - 0.57, respectively. Finally, we also provided nascent evidence that the pharmacokinetic interaction between lamotrigine and valproic acid likely arose from the in vivo inhibition of its UGT2B10-mediated pathway.

An investigation on pyrite floatability using stable micro-nanobubble-assisted flotation

This study critically examines the impact of micro-nanobubble (MNB)-assisted flotation on pyrite recovery in bulk ore, and clarifies the intricate relationship between pyrite and its associated ore. The physicochemical properties of MNBs and the interaction mechanisms between xanthate collector and pure pyrite mineral were evaluated using advanced analytical techniques, including Dynamic Light Scattering (DLS), Field-Emission Scanning Electron Microscopy coupled with Energy-Dispersive X-ray Spectroscopy (FESEM-EDX), and Ultraviolet-Visible Spectroscopy (UV-Vis), in the absence and the presence of MNBs. MNBs were created through hydrodynamic cavitation, and their characteristics revealed a size increase from 600 nm to 3 µm over 25 days. Notably, the zeta potential measurements indicated an increase from -2.5 to 0 mV at a constant pH of 8, correlating with the geometric mean size of MNBs coarsening from 600 nm to 2-3 µm. The FESEM and EDS analyses disclosed that ultrasonic treatment effectively dispersed ultrafine surface coatings on pyrite particles, increasing iron and sulfur purity by 8% and 6%, respectively, and significantly reducing surface oxygen by 53%. Micro-flotation and batch rougher kinetic flotation experiments were conducted with and without MNBs, leading to a 7% and 8% improvement in recovery for pyrite mono-minerals (-105+53 µm) and its ore (d<sub>80</sub>=150 µm), respectively. The sorption behavior of sodium isopropyl xanthate (SIPX) collector on the particle surface was also investigated at various concentrations (ca. 10-160 µM) in the presence and absence of stable MNBs and demonstrated that the presence of MNBs resulted in a 1.6-fold increase in collector absorption on the pyrite surface, confirming the findings obtained from micro-flotation. Moreover, adsorption behavior is up to 1.3 times compared to the scenario without MNBs. The adsorption process was controlled by a pseudo-second-order model, indicating a chemical sorption mechanism.

Reserving Electrons in Cofactor Decorated Coordination Capsules for Biomimetic Electrosynthesis of α-Hydroxy/amino Esters.

Sustainable electricity-to-chemical conversion via the utilization of artificial catalysts inspired by redox biological systems holds great significance for catalyzing synthesis. Herein, we develop a biomimetic electrosynthesis strategy mediated by a nicotinamide adenine dinucleotide (NADH) mimic-containing coordination capsule for efficiently producing α-hydroxy/amino esters. The coordination saturated metal centers worked as an electron relay to consecutively accept single electrons while donating two electrons to the NAD+ mimics simultaneously. The protonation of the intermediate generated active NADH mimics for biomimetic hydrogenation of the substrates via the conventional enzymatic manifold with or without the presence of natural enzymes. The pocket of the capsule encapsulated the substrate and enforced the close proximity between the substrate and the NADH mimics, forming a preorganized intermediate to shift the redox potential by 0.4 V anodically. The cobalt capsule gave methyl mandelate over a range of applied potentials, with an improved yield of 92% when operated at -1.2 V compared to that of Hantzsch ester or natural NADH. Kinetic experiments revealed a Michaelis-Menten mechanism with a Km of 7.5 mM and a Kcat of 1.1 × 10-2 s-1. This extended strategy in tandem with an enzyme exhibited a TON of 650 molE-1 with an initial TOF of 185 molE-1·h-1, outperforming relevant Rh-mediated enzymatic electrosynthesis systems and providing an attractive avenue toward advanced artificial electrosynthesis.

Pd‐Catalyzed Cyclization of o‐Iodoanilines with Acrylates or Acrylic Acids: A Convenient One‐Step Route to 2‐Quinolinones

AbstractA convenient and general method for the construction of 2‐quinolinones was developed in this paper. The Pd‐catalyzed cyclization reaction of various o‐iodoanilines with acrylates or acrylic acids proceeded smoothly to produce 2‐quinolinones in 28–>99 % yields. The key to achieve the cyclization reaction is to utilize suitable base, such as potassium pivalate and potassium acetate. Various synthetically useful functional groups, such as halogen atoms, methoxycarbonyl, and nitro groups, remained intact during the reaction. The effects of catalyst and base on this cyclization reaction and kinetic experiments were investigated to understand the aspect of the reaction.

Assessment of the Effects of ZnO and CuO Engineered Nanoparticles on Physicochemical Properties of Volcanic Ash Soil and Phosphorus Availability

The presence of engineered nanoparticles (ENPs) in soil systems can modify their properties and the availability of nutrients. This study evaluated the effect of 1% CuO or ZnO ENPs on the physicochemical properties and on the phosphorus (P) adsorption–desorption processes of a volcanic ash soil (Lautaro; LAU). The dynamics of P were conducted through kinetic and isotherm batch experiments. The results showed that LAU soil with 1% CuO or ZnO ENPs increased pHH2O (from 5.67 to 6.03 and 6.82, respectively), electrical conductivity (from 0.119 to 0.143 and 0.150 dS m−1, respectively), Zn availability (597.7 times higher for LAU with 1% ZnO ENPs in relation to soil without ENPs), and Cu availability (41.8 times higher for LAU with 1% CuO ENPs in relation to soil without ENPs). Moreover, the presence of ENPs decreased Brunauer, Emmett, and Teller specific surface area. The adsorption kinetic studies of P on LAU soil without and with 1% ENPs fitted well to the Elovich model (r2 ≥ 0.923), which indicated a chemiadsorption mechanism, whereas the adsorption isotherms were described by Langmuir–Freundlich model (r2 ≥ 0.939). The desorption percentage was LAU > LAU + 1% CuO–ENPs > LAU + 1% ZnO–ENPs, demonstrating an increased stability of the P–soil surface binding with 1% ENPs. Co–existing NO3−, SeO42−, and SO42− anions did not generate a steric hindrance between P and LAU soil binding. Finally, both ENPs could alter the quality of the soil due to changes in their physicochemical properties and decrease the availability of P in volcanic ash soils.

Calcium silicate hydrate complex konjac glucomannan-based hydrogel selectively adsorbed phosphate in low alkalinity solution

The selective recovery of phosphate from wastewater can manage nutrients and realize the recycling of phosphorus resources. In this study, a novel konjac glucomannan/pectin/calcium silicate composite hydrogel (KP-CSH) was developed for efficient recovery of phosphate in aqueous solution. The amount of alkali released after the reaction of KP-CSH in a neutral solution was small (the pH of the solution after the reaction was < 9). In a wide initial pH range (3–10), the adsorption capacity of KP-CSH in 50 mg-P/L phosphate solution reached 39∼45 mg-P/g. Besides, even if the pH of the solution after the reaction was less than 8, it could still well adsorb phosphate. The kinetic and isothermal adsorption experiments indicated that the adsorption process of phosphate by KP-CSH was chemical adsorption, and the maximum adsorption capacity was 61.2 mg-P/g. KP-CSH preferentially adsorbed phosphate even in the presence of high concentrations of competitive ions. In the actual biogas slurry, KP-CSH also exhibited the strongest selectivity/affinity for phosphate, and its distribution coefficient (Kd) was significantly higher than that of other co-existing anions and cations. The adsorption mechanism analysis indicated that Ca was the main adsorption site of KP-CSH, and that the adsorption process of target pollutants mainly involved ligand exchange and the intra-sphere complexation. Further plant seed germination and seedling growth experiments suggested that KP-CSH after phosphate recovery did not exert a negative effect on the growth of plant seedlings, and increased the chlorophyll content of seedling leaves. These results demonstrate that KP-CSH is a potential adsorbent for efficient phosphate recovery, which can be used as a slow-release phosphate fertilizer after recovering phosphate.

Tri-functional carbon membrane for one-step uptake of low-concentration hydrogen to high purity

The uptake of hydrogen (H2) from natural gas pipelines (CH4) through membrane separation technology is an efficient avenue of obtaining H2 resources. Carbon membranes have the potential to be an attractive option for energy-efficient gas separations in the next generation of membranes due to their precise molecular discrimination ability and easy scalability. Here, we report a carbon membrane composed of a mesoporous substrate, seed layer and sieving layer, achieving a one-step uptake with 55.3 × 10-9 mol·m−2·s−1 Pa−1 permeance and a separation factor for H2/CH4 of 359.1 by feeding hydrogen (20 vol%). As revealed by the kinetic diffusion experiment, H2 is transported in mesoporous substrate via Knudsen flow, differing from the transition flow taken by CH4, thus H2 diffusion rates exceed CH4 by an order of magnitude, which substantially increased H2 purity from 20 vol% to higher purity as gas mixtures passed through the substrate. Then, the H2 passed through the seed layer and sieving layer, resulting in a final H2 purity of ∼ 99 vol%, a sharp increase from the initial low concentration. This carbon membrane integrates three functions of capture, pre-separation and purification into one material and provides a new solution for the uptake of H2 from CH4.

Study on the reaction mechanism of multi-source metallurgical dust for zinc extraction and iron enrichment

Multi-source metallurgical dust can realize the purpose of zinc extraction and iron enrichment by high-temperature reduction. In this paper, based on the zinc extraction and iron enrichment from multi-source metallurgical dust in rotary kiln process, thermodynamic calculations and reduction kinetic experiments were carried out to clarify the thermodynamic conditions and kinetic limiting factors of the reduction of Fe-Zn-C-O system of metallurgical dust, and to obtain the suitable parameters of reduction temperature and reaction time, etc. The results showed that Fe mainly existed in the form of Fe2O3 and Fe3O4 in metallurgical dust. Zn mainly existed in the form of ZnO and ZnFe2O4, with a small amount existed in ZnS. The starting temperatures of the reduction of ZnO, ZnFe2O4, ZnS with C were 951.09 °C, 581.55 °C and 1862.44 °C, respectively. Combined with the temperature of the smelting condition of rotary kiln, it was known that the presence of ZnS was the key factor leading to the limitation of zinc removal rate. ZnO and ZnFe2O4 showed higher reduction difficulty compared to iron oxides, so the metallization rate of rotary kiln slag could be improved by controlling the smelting atmosphere. The weight loss rate, metallization rate and dezincification rate of multi-source metallurgical dust showed an increasing trend with the change of temperature and time, and the more desirable effect of weight loss rate, metallization rate and dezincification rate were 46.7%, 87.1%, and 92.5% under laboratory conditions at reduction temperature 1100 °C and reaction time 50 min.

Living anionic copolymerization of 1,3-pentadiene isomers with alpha-methylstyrene in the presence of 2,2-di(2-tetrahydrofuryl)propane

The synthesis of statistical copolymers of alpha-methylstyrene (AMS) and 1,3-pentadiene (PD) isomers in the presence of 2,2-di(2-tetrahydrofuryl)propane (DTHFP) by living carbanionic polymerization was investigated in this paper. To the best of our knowledge, either AMS or PD monomer was rather difficult to homopolymerize in non-polar solvents without the help of polar additives even at high temperature due to its low ceiling temperature or relatively high electron cloud density of the conjugated CC double bond. However, the combination of RLi initiator and DTHFP regulator (0.1<DTHFP/Li < 0.5) allowed the rapid synthesis of the well-defined poly(AMS-stat-PD) with controlled molar masses (up to 32.5 kDa) and relatively narrow molecular weight distributions (1.10 < ĐMs < 1.52). Calculation of reactivity ratios by the Kelen–Tüdos method suggested that AMS copolymerized much more readily to with (Z)-1,3-pentadiene (ZP) than with (E)-1,3-pentadiene (EP) under the same conditions, whereas the EP/AMS copolymer exhibited much lower dispersity. 1H NMR results indicated that the polymer chain was found to be a mixture of 1,2-addition and 1,4-addition units, in the absence of 3,4-units. Kinetic experiments also showed that the apparent activation energy of EP/AMS copolymerization was slightly higher than that of the ZP/AMS case. To ensure complete conversion of the monomer, the feed ratio of AMS (fAMS) must be controlled to be within 0.3. In addition, the incorporation rate of AMS into the polymer chain increased with the increase in the feed ratio of AMS monomer. DSC curves showed that the Tg of the resulting copolymers increased gradually and could reach up to 25 °C (FAMS = 47). Based on the observation of the anionic statistical copolymerization behavior, an interpretation of the formation mechanism is presented here.

Propane Dehydrogenation on PtxZny Active Sites in Silicalite-1.

The improvement of Pt-based catalysts for propane dehydrogenation (PDH) has progressed by recent investigations that have identified Zn as a promising promoter for Pt subnanometer catalysts. It is desirable to gain insights into the structure, stability, and activity of such active sites and the factors that influence them, such as Zn:Pt ratio, Pt coordination and nuclearity. Here, we employ density functional theory and microkinetic simulations to investigate the stability of PtxZny (x=1-3, y=0-3) active sites grafted on silanols of Silicalite-1 and the PDH activity of Pt. We find that the coordination of a Pt atom to a nest of grafted Zn(II) atoms increases the stability of the Pt1Zny sites, whose activity is similar for y=0-2 and drops dramatically for y>2. We further demonstrate, via linear scaling relations and microkinetic simulations, that the turnover frequency obeys a volcano law as a function of propylene binding strength. The Pt2Zn1 and Pt3Zn1 sites are stable and exhibit activity similar to Pt1Zn2, but only Pt1Zn2 manifests reaction kinetics consistent with experimental data, strongly suggesting the active site composition in the synthesized catalyst samples. The methodology presented here suggests a general strategy for deducing active site information such as composition through simple kinetic experiments.

Inhibition of human UDP-glucuronosyltransferase (UGT) enzymes by darolutamide: Prediction of in vivo drug-drug interactions

Darolutamide is a potent second-generation, selective nonsteroidal androgen receptor inhibitor (ARI), which has been approved by the US Food and Drug Administration (FDA) in treating castrate-resistant, non-metastatic prostate cancer (nmCRPC). Whether darolutamide affects the activity of UDP-glucuronosyltransferases (UGTs) is unknown. The purpose of the present study is to evaluate the inhibitory effect of darolutamide on recombinant human UGTs and pooled human liver microsomes (HLMs), and explore the potential for drug-drug interactions (DDIs) mediated by darolutamide through UGTs inhibition. The product formation rate of UGTs substrates with or without darolutamide was determined by HPLC or UPLC-MS/MS to estimate the inhibitory effect and inhibition modes of darolutamide on UGTs were evaluated by using the inhibition kinetics experiments. The results showed that 100 μM darolutamide exhibited inhibitory effects on most of the 12 UGTs tested. Inhibition kinetic studies of the enzyme revealed that darolutamide noncompetitively inhibited UGT1A1 and competitively inhibited UGT1A7 and 2B15, with the Ki of 14.75 ± 0.78 μM, 14.05 ± 0.42 μM, and 6.60 ± 0.08 μM, respectively. In particular, it also potently inhibited SN-38, the active metabolite of irinotecan, glucuronidation in HLMs with an IC50 value of 3.84 ± 0.46 μM. In addition, the in vitro-in vivo extrapolation (IVIVE) method was used to quantitatively predict the risk of darolutamide-mediated DDI via inhibiting UGTs. The prediction results showed that darolutamide may increase the risk of DDIs when administered in combination with substrates of UGT1A1, UGT1A7, or UGT2B15. Therefore, the combined administration of darolutamide and drugs metabolized by the above UGTs should be used with caution to avoid the occurrence of potential DDIs.

Insights into the dual effect of an amphiphilic additive on hydrate formation from a water structure perspective

Chemical additives play an important role in gas hydrate formation, which involves the transformation of water structure. However, the relationship between the effects of additives on water structure and hydrate formation is inconclusive, especially for amphiphilic molecules. Here, we investigate the changes in water structure caused by rhamnolipid (Rha) biosurfactants and the resulting effect on methane hydrate formation through kinetic experiments, morphological observation, and in situ Raman spectroscopy. The Gaussian peaks of strongly hydrogen-bonded and weakly hydrogen-bonded water are identified, of which the integrated intensity and position are compared. It is found that the dual effect of Rha on hydrate formation kinetics, namely nucleation inhibition and growth promotion, is attributed to the ordered arrangement of water molecules with stronger hydrogen bonding interactions induced by the charged head groups. The strongly hydrogen-bonded water inhibits nucleation but promotes growth. In addition, the adsorption of Rha on montmorillonite (MMT) eliminates the changes in water structure and the dual effect of hydrate formation kinetics, providing further evidence for the above conclusion. These insights pave the way for a deeper understanding of hydrate formation kinetics from a water structure perspective, as well as providing a scientific basis for the commercial application of surfactants.

Synthesis and characterization of AlxCu0.7Mn0.3Fe2-xO4 ferrite and its application in adsorption of dyes

The increasing presence of artificial dyes in industrial wastewater has necessitated the development of efficient and sustainable adsorption materials. This work explores the synthesis and characterization of Al-doped Cu-Mn (AlxCu0.7Mn0.3Fe2-xO4, where x = 0.1, 0.3, 0.5, 0.7, and 0.9) ferrite as a new adsorbent for the removal of dyes from aqueous solutions. The Al-doped Cu-Mn ferrite was prepared using the solution combustion method and meticulously characterized using various physiochemical techniques, including scanning electron microscopy (SEM) analysis, Fourier transform infrared spectroscopy (FTIR), X-ray powder diffractometer (XRD), vibrating sample magnetometer (VSM), and Brunauer-Emmer-Teller (BET). Adsorption studies tested the material's ability to remove hazardous dyes such as congo red, methyl orange, methylene blue, and crystal violet from aqueous solutions. The effects of various parameters, including temperature, contact time, and initial dye concentration, were systematically studied. To understand the mechanism of interaction between the adsorbent and the dyes, the adsorption isotherms were examined using the Langmuir, Temkin, D-R, and Freundlich models. The Freundlich isotherms provided the best fit for the experimental data. To clarify the kinetics of the adsorption process, kinetic experiments were conducted using pseudo-first and pseudo-second-order. According to the results of the kinetics analysis, pseudo-second-order kinetics fit the data better, with a higher coefficient of determination values (R2 = 0.981, 0.983, 0.984 & 0.984). Thermodynamic parameters, including enthalpy, Gibbs free energy, and entropy changes, were calculated to determine the nature of the adsorption process, and the result demonstrates that the adsorption process was endothermic and naturally spontaneous. The results indicate that Al-doped Cu-Mn ferrite exhibits high adsorption capacities and favourable thermodynamic properties, making it a promising material for the removal of dyes from industrial wastewater effluents. The study contributes to the field by providing insights into the adsorption mechanisms and potential applications of Al-doped Cu-Mn ferrite in environmental remediation.

Separation of Nd(III) from Nd(III)/Co(II) Mixture Using Poly (Carboxymethyl Cellulose.starch-g-acrylic Acid/Al2O3) Nanocomposite

AbstractThe separation of neodymium from the Nd(III)/Co(II) mixture is crucial for producing high-purity neodymium, which is essential in industries like electronics. A new nanocomposite, Poly(carboxymethyl cellulose.starch-g-acrylic acid/Al2O3), P(CMC-St-g-AA/Al2O3), was prepared and applied for the sorption and separation of Nd(III) from the Nd(III)/Co(II) mixture. This nanocomposite, synthesized with γ-irradiation of 60Co at 35 kGy, was extensively characterized using SEM, FTIR spectroscopy, and TGA-DTA. Parameters affecting neodymium separation were studied, revealing optimal conditions. Kinetic experiments showed agreement with a pseudo-nth-order kinetic model. Isothermal sorption studies indicated multilayer adsorption, with Co(II) and Nd(III) adsorption capacities of 2.781 mg/g and 8.825 mg/g, respectively, at pH 3.0. Thermodynamic analysis confirmed spontaneous and endothermic sorption. Separation factor values peaked at pH 3.0, shaking for 120 min, 0.1 adsorbent dosage, and ambient temperature, highlighting effective Nd-Co separation under these conditions. In conclusion, the comprehensive analysis and successful application of P(CMC-St-g-AA/Al2O3) nanocomposite underscore its potential as a highly efficient and selective sorbent for neodymium separation.