Oxalic Acid Research Articles

Isovaleramide attenuates ethylene glycol poisoning-induced acute kidney injury and reduces mortality by inhibiting alcohol dehydrogenase activity in rats.

We explored the potential value of the alcohol dehydrogenase (ADH) inhibitor isovaleramide (ISO) in the treatment of acute ethylene glycol (EG) poisoning-induced acute kidney injury. Sprague-Dawley rats were divided into the control, EG, EG + ISO (10mg/kg) and EG + ISO (20 mg/kg) groups. It is found that ISO intervention significantly reduced the ADH activity in liver tissue by using visible spectrophotometry, inhibited the in vivo metabolism of EG by using gas chromatography, lowered the levels of toxic metabolites glycolic acid and oxalic acid by using high-performance liquid chromatography and decreased the expression of kidney injury markers serum creatinine (sCr), KIM-1, neutrophil gelatinase-associated lipocalin (NGAL) and liver fatty acid-binding protein (L-FABP) by ELISA. Additionally, Western blotting results showed that ISO down-regulated the expression of apoptotic factors Bax and cleaved caspase-3 in the kidneys and upregulated the expression of antiapoptotic factor Bcl-2. Pizzolato staining and polarized light microscopy results revealed the reduced deposition of calcium oxalate crystals in the kidney tubules. Using haematoxylin and eosin (H&E), periodic acid-Schiff (PAS) and Masson staining, we found attenuated kidney tissue pathological injury. Finally, ISO significantly reduced the mortality rate. In conclusion, ISO has the potential to be a valuable drug for the treatment of EG poisoning-induced acute kidney injury.

Structural characterization, antioxidant activity, and fermentation characteristics of Flammulina velutipes residue polysaccharide degraded by ultrasonic assisted H2O2-Vc technique

Adhere to the concept of low-carbon environmental protection and turning waste into treasure, polysaccharides from Flammulina velutipes residue polysaccharide (FVRP) has been developed and possesses diverse bioactivities, comprising antioxidant, hypoglycemic, and relieving heavy metal damage, which still has the disadvantages of high molecular weight and low bioavailability. The current work is the first to prepare a degraded polysaccharide (FVRPV) from FVRP by ultrasonic assisted H2O2-Vc technique in order to reduce its molecular weight, thereby improving its activity and bioavailability. Our results found that the molecular weight and average particle size were declined, but the monosaccharide composition and characteristic functional group types of FVRPV had no impact. The structural changes of polysaccharides analyzed by XRD, Congo Red test, I2-KI, SEM, and methylation analysis indicated that the surface morphology and glycosidic bond composition of FVRPV possessed longer side chains and a greater number of branches with an amorphous crystal structure devoid of a triple helix configuration, and had experienced notable alterations after ultrasonic assisted H2O2-Vc treatment. Meanwhile, the in vitro antioxidant capacity of FVRPV had significantly increased compared to FVRP, implying ultrasonic assisted H2O2-Vc technique maybe a effective method to enhance the bioactivity of polysaccharides. In addition, the content of polysaccharide, reducing sugar, and uronic acid in FVRPV was significantly decreased, but antioxidant capacity of fermentation broth was stronger by in vitro human fecal fermentation. The 16S rDNA sequencing data displayed that FVRPV can enrich probiotics and reduce the abundance of pathogenic bacteria through different metabolic pathways mediated by gut microbiota, thereby exerting its potential probiotic effects. The interesting work provides a novel degraded polysaccharide by ultrasonic assisted H2O2-Vc technique, laying a foundation for developing FVRPV as a new antioxidant and prebiotic.

Adsorption Properties of Hydrophobic Porous Coordination Polymers of Zinc-Oxalic Acid with Triazole and Amino Triazole Mixture Ligands

The porous coordination polymers were prepared from Zn2+ and oxalic acid with 2 linker ligands, 1,2,4-triazole (Taz) and 3-amino-1,2,4-triazole (ATaz). The adsorption of N2 after adsorption of degassed CO2 in the pore frameworks increased by 3 times. The flexibility of this structure is due to the interaction of CO2 molecules with the amine groups contained in it, thereby increasing its porosity.

Oxalic acid capped tungsten oxide nanozyme mimicking peroxidase activity, its synthesis characterization, and kinetic data validation via spectrophotometric studies

The need for parody enzymes has attracted the interest of researchers globally. Nanomaterials have provided promising results as mimic catalysts termed nanozymes (NZMs). This article briefs the peroxidase mimicking behavior of Oxalic acid-capped WO3 nanoparticles (Ox-WO3 NPs), which were hydrothermally synthesized. The peroxidase parodying behavior of the synthesized NZMs was studied for H2O2 as substrate and PPDD-NEDA and TMB as a chromogenic reagent in Phosphate buffer at pH 6.5. The coupled product of PPDD-NEDA showed λmax=480 nm, and the method was linear between 0.2413 and 1.93 mM. The oxidized product of TMB λmax=650 nm was linear in the range of 0.1938–1.9386 mM. Km values corresponding to TMB, and PPDD-NEDA were 0.5308 and 0.3957 mM. Kinetic constants with respect to PPDD-NEDA i.e., Vmax, Kcat, Keff, and Kpow were found to be 0.1913 mM/min, 3.3639 min−1, 8.4999 mM−1 min−1, and 0.4833 min−1. The precision study for intra-day (1.27–2.49 %) and inter-day (1.09–1.52 %) has been calculated. LOD and LOQ of the reaction was found to be 56.34 and 170.73 µM respectively. Characterization of synthesized NPs were carried out with respect to morphology, crystallinity, size, zeta potential and others. The XRD of the sample revealed the crystallite size to be 42.6 nm (Williamson-Hall equation) and 35 nm (Scherrer equation), Crystal structure was identified to be a mixture of monoclinic and orthorhombic as compared with the JCPDS file and the crystallinity of the sample was found to be 79.75 %. The SEM images provided the morphology to be spherical in nature with more aggregation due to lower zeta potential value as recorded by the DLS. The elemental composition by EDS recorded the formation of WO3 NPs. The broad peak of FT-IR spectra between 2900 and 3900 cm−1 confirms the capping of oxalic acid to WO3 NPs.

Depletion of iodide in ageing aerosols and the role of humidity: A case study of mixed sodium iodide-malonic acid aerosol

Global sea to air iodine emissions, along with organic emissions and their oxidation products, have increased tremendously. This work presents a comprehensive analysis of the humidity mediated changes in ageing aerosols comprising iodide and water soluble dicarboxylic acid using aerosol micro-Raman spectroscopy. The studies in the model system, sodium iodide-malonic acid mixed aerosols, unveiled the depletion in iodide. Mechanistic insights gleaned through comparative studies conducted under inert (nitrogen) and oxidative (air) atmospheres reveal the iodide depletion occurs possibly via oxidation to molecular iodine. The reaction involves gaseous components, diffusion of which across the particles will be impacted by the physical state of the particles, such as viscosity, which in turn is intricately linked to ambient humidity levels. To this end, studies on the temporal evolution of the reaction at three distinct RHs covering 30–80% revealed the enhanced progression of the reaction with increasing humidity. Given that geographical locations serving as major sources for atmospheric iodine typically experience high humidity, these reactions could emerge as an additional process controlling iodine speciation in ageing aerosols.

Lignocellulose Treatment Using a Flow-Through Variant of OrganoCat Process.

This study adapts the biphasic OrganoCat system into a flow-through (FT) reactor, using a heated tubular setup where a mixture of oxalic acid and 2-methyltetrahydrofuran (2-MTHF) is pumped through beech wood biomass. This method minimizes solvent-biomass contact time, facilitating rapid product removal and reducing the risk of secondary reactions. A comparative analysis with traditional batch processes reveals that the FT system, especially under severe conditions, significantly enhances extraction efficiency, yielding higher amounts of lignin and sugars with reduced solid residue. Notably, the FT system shows partial hydrolysis of the cellulose, which increases with temperature while not producing significant amounts of furfural or 5-HMF, indicating more efficient depolymerization of polysaccharides without substantial sugar degradation. A statistical design of experiments (DOE) using a Box-Behnken design elucidates the influence of process variables (time, solvent flow rate, temperature) on the yield. Key findings highlight reactor temperature as the dominant factor affecting yields, with process time showing a significant but less pronounced impact. This study demonstrates the potential of the FT OrganoCat system for efficient lignocellulosic biomass fractionation and represents an advancement towards continuous lignocellulose processing, contributing to our knowledge of process optimization for improved biorefinery applications.

Chemical and mineralogical constitution of redoximorphic features and mechanism of formation of Plinthosols from the Araguaia River plain, Brazil

ABSTRACT Currently in Brazil, large grain cultivation projects on Plinthosols are a reality, however, there is little or no knowledge of the real mechanism of formation of the plinthite feature, in addition to what is reported in the literature as being a product of oxidation-reduction processes of iron element. This study evaluates iron redoximorphic features and investigates their chemical and mineralogical composition in two profiles of Plinthosols from the Araguaia River plain (P1 and P2). The study strengthens the understanding of the pedogenetic processes involved in the formation of mottles and plinthite. In this sense, it assesses whether the formation mechanisms corroborate the literature. Soil features were sampled in the upper right and left position at the initial plinthic horizon, upper right and left position at the main plinthic horizon, and lower right position at the base horizon of the plinthite zone in the profile. Separated samples comprising the soil matrix, mottles, and plinthite under natural moisture conditions were ground into powder form for chemical determinations by X-ray fluorescence (XRF), sulfuric acid attack (H 2 SO 4 ), sodium dithionite-citrate-bicarbonate (DCB), and ammonium acid oxalate; and mineralogical determinations by X-ray diffraction. Iron contents in all determined forms were always higher in the plinthite feature, intermediate in the mottle feature, and lower in the soil matrix feature. Most of the Fe in all redoximorphic features is included in the structure of primary minerals and their derivatives (vermiculite, illite, and VHEs). Only part of the iron present (about 35.40 % in P1 and 41.98 % in P2) is detected in the form of oxides such as goethite and hematite, which could be formed in redox processes. The mottle and plinthite features under study are not the product of the classic process of segregation, mobilization, and accumulation of iron as a consequence of redox processes. These features were formed or emerged as a result of a relatively slow and constant weathering process of their source material, which is gradually decomposed in an aqueous medium, releasing most of its components. These components include iron and more mobile elements such as bases and silicon, which leave the system through drainage water, and of which a small part may eventually recombine to form new less complex minerals such as kaolinite and oxides.

Synthesis, structures, and photoluminescence of zinc(II) coordination polymers based on carboxylates and the semirigid ligand 1,4-bis(2-methylbenzimidazol-1-ylmethyl)benzene

Two fluorescent Zn(II) polymers (1 and 2) with different dicarboxylic acid co-ligands have been obtained under hydrothermal reaction conditions. In 1 and 2, the flexible bmb adopts two trans-conformations with different Ndonor···N–Csp3···Csp3 torsion angles, generating 3-D interspersed (412·63)-pcu grids. The dicarboxylic acid co-ligands influence the conformation of bmb, which lead to diverse spatial structures from a single helix to a 2-D lattice network. Photoluminescence investigations reveal that 1 has a redshift compared with o-H2oba (4,4'-oxydibenzoic acid) and 2 has a blueshift of 20 nm compared with H2bpdc ([1,1'-biphenyl]-4,4'-dicarboxylic acid), which can be attributed to a ligand-centered charge transfer.

Crystallinity Reconstruction of Squid-Pen Chitosan into Mechanically Robust and Multifunctional Bionanocomposite Food Packaging Film.

First, we explore the effect of bioacids on the film processing of preprocessed, i.e., deacetylated, chitosan (d-chitosan with molecular weight of 1,000,000 kDa), using monocarboxylic acid (acetic acid), dicarboxylic acid (malic acid), and tricarboxylic acid (citric acid) as model weak acidic solvents to destabilize the hydrogen bonding and transform crystal structures into film. Second, we investigate the chemical and physical toughening effect in the bionanocomposite film composed of cross-linkable multicarboxilic acid, i.e., succinic acid (SA). In doing so, the addition of glycerol as a plasticizer can increase polymer chain mobility, making the biocomposite film more ductile and flexible. The addition of CNC also enhances the tensile strength (41.6%), swelling (43.47%), and oxygen barrier properties (38.81%), as well as significantly improves UV light barrier. The excellent antibacterial properties (99.9% efficiency against S. aureus and K. pneumoniae) of the prepared biocomposite films are found to be independent of the presence of glycerol or CNC. Third, the development of film processability under an industrially relevant process is also demonstrated by doctor blade method. It is found that film processability of the squid-pen's chitosan bionanocomposite can straightforwardly be compatible with and improvable in the presence of poly(vinyl alcohol) employed as a model biodegradable processing aid.

The fate of cadmium during ferrihydrite phase transformation affected by dissolved organic matter: Insights from organic-mineral interaction

Ferrihydrite (Fh) is an important scavenger for sequestering cadmium (Cd). However, Fh is poorly crystallized and tends to undergo phase transformation under the impact of dissolved organic matter (DOM). The roles of DOM in Fh transformation pathway and the consequent Cd2+ remobilization behavior remain debate due to its structural heterogeneity and diversity. Herein, formic acid (FA), oxalic acid (Ox), and citric acid (CA) were selected as model DOM, which have one, two, and three carboxyl ligands, respectively. Fe K-edge extended X-ray absorption fine structure (EXAFS) spectra revealed an organic-specific correlation between Fh transformation and Cd2+ transport. FA with monodentate carboxyl ligand, lacking binding with Fh particles, had negligible influence on transformation dynamics and Cd2+ transport. The complexation of bidentate Ox with Fh particles impaired the stability of Fe(O,OH)6 octahedra, accelerating Fh phase transformation, thereby increasing Cd2+ release. During the subsequent recrystallization, Ox guided crystal growth via oriented attachment, which possibly occluded the remaining Cd2+ within structural defects of the secondary minerals. Conversely, tridentate CA exhibited a strong affinity with Fh, resulting in the formation of ferric citrate surface complexes that stabilized Fh against transformation and thus enhanced the long-term immobilization of Cd2+. These findings highlight the significant role of organic-ion/mineral interactions in Fh transformation, which are fundamentally linked to predicting Cd2+ transport behavior in environmental systems.

Leaching Efficacy of Ethylenediaminetetraacetic Acid (EDTA) to Extract Rare-Earth Elements from Monazite Concentrate

Alkaline EDTA solution has been previously identified as an effective leaching agent for solubilising rare-earth oxalates. These oxalates are the product of an oxalic acid conversion leach dissolving monazite and redepositing the salt. Pervious work suggested a significant increase in recovery was observed between pH 8 and 10; we have demonstrated that, in an excess of EDTA, this is not the case, and the dissolution is similar. While demonstrating that, at a nominal solid loading of 100 g/L, 0.2 M EDTA solution produced the highest dissolution, elevated solids require an equivalent increase in lixiviant concentration driven by consumption. Very-high-solution concentrations (>50 g/L dissolved TREEs) were achieved at a high solid loading, indicating both that a solution equilibrium is yet to be reached and that a build-up of oxalate in the system (estimated at ~1 M) does not impact the leach efficiency. We have also demonstrated the recycling of EDTA to use in multiple stages as well as the ability to recover oxalate from this solution.

Ultrasonic synthesis, characterization, DFT and molecular docking of a biocompatible Zn-based MOF as a potential antimicrobial, anti-inflammatory and antitumor agent

Zinc metal–organic frameworks have emerged as promising candidates, demonstrating excellent biological properties stemming from the unique characteristics of MOFs and zinc. In this study, we employed a facile method to synthesize a zinc metal–organic framework [Zn(IP)(H2O)] using ultrasound irradiation, with the linker being isophthalic acid (IPA) (1,3-benzene dicarboxylic acid). The parent Zn-MOF and two Ag/Zn-MOF samples prepared via loading and encapsulation methods were comprehensively characterized using various techniques, including FT-IR, XRD, SEM, TEM, N2 adsorption–desorption isotherm, UV–vis spectroscopy and TGA. The parent Zn-MOF and two Ag/Zn-MOF samples exhibited a broad spectrum of antibacterial effects. Remarkably, genomic DNA of P. aeruginosa was effectively degraded by Zn-MOF, further supporting its potent antibacterial results. The free radical inhibition assay demonstrated a 71.0% inhibition under the influence of Zn-MOF. In vitro cytotoxicity activity of Zn-MOF against HepG-2 and Caco-2 cell lines revealed differential cytotoxic effects, with higher cytotoxicity against Caco-2 as explored from the IC50 values. This cytotoxicity was supported by the high binding affinity of Zn-MOF to CT-DNA. Importantly, the non-toxic property of Zn-MOF was confirmed through its lack of cytotoxic effects against normal lung cell (Wi-38). The anti-inflammatory treatment of Zn-MOF achieved 75.0% efficiency relative to the standard Ibuprofen drug. DFT and docking provided insights into the geometric stability of Zn-MOF and its interaction with active amino acids within selected proteins associated with the investigated diseases. Finally, the synthesized Zn-MOF shows promise for applications in cancer treatment, chemoprevention, and particularly antibacterial purposes.

Transcriptome and Metabolome Based Mechanisms Revealing the Accumulation and Transformation of Sugars and Fats in Pinus armandii Seed Kernels during the Harvesting Period.

Pinus armandii seed kernel is a nutrient-rich and widely consumed nut whose yield and quality are affected by, among other things, harvesting time and climatic conditions, which reduce economic benefits. To investigate the optimal harvesting period of P. armandii seed kernels, this study determined the nutrient composition and seed kernel morphology and analyzed the gene expression and metabolic differences of P. armandii seed kernels during the harvesting period by transcriptomics and metabolomics. The results revealed that during the maturation of P. armandii seed kernels, there was a significant increase in the width, thickness, and weight of the seed kernels, as well as a significant accumulation of sucrose, soluble sugars, proteins, starch, flavonoids, and polyphenols and a significant decrease in lipid content. In addition, transcriptomic and metabolomic analyses of P. armandii seed kernels during the harvesting period screened and identified 103 differential metabolites (DEMs) and 8899 differential genes (DEGs). Analysis of these DEMs and DEGs revealed that P. armandii seed kernel harvesting exhibited gene-metabolite differences in sugar- and lipid-related pathways. Among them, starch and sucrose metabolism, glycolysis, and gluconeogenesis were associated with the synthesis and catabolism of sugars, whereas fatty acid degradation, glyoxylate and dicarboxylic acid metabolism, and glycerophospholipid metabolism were associated with the synthesis and catabolism of lipids. Therefore, the present study hypothesized that these differences in genes and metabolites exhibited during the harvesting period of P. armandii seed kernels might be related to the accumulation and transformation of sugars and lipids. This study may provide a theoretical basis for determining the optimal harvesting time of P. armandii seed kernels, changes in the molecular mechanisms of nutrient accumulation, and quality directed breeding.

Unravelling the effects of short-term starvation and pH disturbances in stable volatile fatty acids production

The successful upscaling of anaerobic fermentation (AF) still relies on ensuring the stable production of volatile fatty acids (VFAs) in high concentrations and yields. The unforeseen events taking place at industrial scale can compromise the AF stability, thereby decreasing the cost-effectiveness of the process. To assess process stability against disturbances and identify AF failure indicators, this investigation explored the effect of starvation and pH control failure in a continuous reactor. The starvation disturbance did not affect AF performance and methanogenesis was not restored, confirming the relevance of selecting proper conditions (25 °C and pH 6.5) to ensure methanogenesis suppression. By contrast, the uncontrolled pH provoked a pH drop to 4.5, limiting the acidogenesis metabolisms and modifying the metabolites profile due to microbiome reshape. Lactobacillus, and members of Lactobacillaceae, Lactobacillales, and Bifidobacteriaceae dominated the microbiome in the pH disturbance, revealing lactic, succinic and oxalic acids as warning indicators of the acidogenesis failure. Nevertheless, the AF was completely recovered after the disturbances evidencing the microbiome robustness against pH range between 4.5 and 5.

Decarboxylation of Aza-Annulation Products as a Synthetic Route to 3-Pyrrolin-2-ones and 1,2,3,4-Tetrahydropyridin-2-ones.

Aza-annulation of enamines derived from β-ketoesters with maleic and itaconic anhydrides proceeds with excellent diastereoselectivity to provide functionalized γ- and δ-lactams. Further hydrolysis of the aza-annulation products resulted in dicarboxylic acids that underwent spontaneous decarboxylation under ambient conditions. The decarboxylation of β-γ unsaturated carboxylic acids with an electron-rich enamide C═C bond proceeds with the migration of the C═C bond and serves as a practical synthetic entry into 3-pyrrolin-2-ones and 1,2,3,4-tetrahydropyridin-2-ones.

Deciphering metabolomics and lipidomics landscape in zebrafish hypertrophic cardiomyopathy model

To elucidate the lipidomic and metabolomic alterations associated with hypertrophic cardiomyopathy (HCM) pathogenesis, we utilized cmybpc3-/- zebrafish model. Fatty acid profiling revealed variability of 10 fatty acids profiles, with heterozygous (HT) and homozygous (HM) groups exhibiting distinct patterns. Hierarchical cluster analysis and multivariate analyses demonstrated a clear separation of HM from HT and control (CO) groups related to cardiac remodeling. Lipidomic profiling identified 257 annotated lipids, with two significantly dysregulated between CO and HT, and 59 between HM and CO. Acylcarnitines and phosphatidylcholines were identified as key contributors to group differentiation, suggesting a shift in energy source. Untargeted metabolomics revealed 110 and 53 significantly dysregulated metabolites. Pathway enrichment analysis highlighted perturbations in multiple metabolic pathways in the HM group, including nicotinate, nicotinamide, purine, glyoxylate, dicarboxylate, glycerophospholipid, pyrimidine, and amino acid metabolism. Our study provides comprehensive insights into the lipidomic and metabolomic unique signatures associated with cmybpc3-/- induced HCM in zebrafish. The identified biomarkers and dysregulated pathways shed light on the metabolic perturbations underlying HCM pathology, offering potential targets for further investigation and potential new therapeutic interventions.

Optimal Light Intensity for Lettuce Growth, Quality, and Photosynthesis in Plant Factories.

In agriculture, one of the most crucial elements for sustained plant production is light. Artificial lighting can meet the specific light requirements of various plants. However, it is a challenge to find optimal lighting schemes that can facilitate a balance of plant growth and nutritional qualities. In this study, we experimented with the light intensity required for plant growth and nutrient elements. We designed three light intensity treatments, 180 μmol m-2 s-1 (L1), 210 μmol m-2 s-1 (L2), and 240 μmol m-2 s-1 (L3), to investigate the effect of light intensity on lettuce growth and quality. It can be clearly seen from the radar charts that L2 significantly affected the plant height, fresh weight, dry weight, and leaf area. L3 mainly affected the canopy diameter and root shoot ratio. The effect of L1 on lettuce phenotype was not significant compared with that of the others. The total soluble sugar, vitamin C, nitrate, and free amino acid in lettuce showed more significant increases under the L2 treatment than under the other treatments. In addition, the transpiration rate and stomatal conductance were opposite to each other. The comprehensive evaluation of the membership function value method and heatmap analysis showed that lettuce had the highest membership function value in L2 light intensity conditions, indicating that the lettuce grown under this light intensity could obtain higher yield and better quality. This study provides a new insight into finding the best environmental factors to balance plant nutrition and growth.

Specific physiological responses to alkaline carbonate stress in rice (Oryza sativa) seedlings: organic acid metabolism and hormone signalling

In recent years, alkaline soda soil has stimulated numerous biological research on plants under carbonate stress. Here, we explored the difference in physiological regulation of rice seedlings between saline (NaCl) and alkaline carbonate (NaHCO3 and Na2CO3) stress. The rice seedlings were treated with 40 mM NaCl, 40 mM NaHCO3 and 20 mM Na2CO3 for 2 h, 12 h, 24 h and 36 h, their physiological characteristics were determined, and organic acid biosynthesis and metabolism and hormone signalling were identified by transcriptome analysis. The results showed that alkaline stress caused greater damage to their photosynthetic and antioxidant systems and led to greater accumulation of organic acid, membrane damage, proline and soluble sugar but a decreased jasmonic acid content compared with NaCl stress. Jasmonate ZIM-Domain (JAZ), the probable indole-3-acetic acid-amido synthetase GH3s, and the protein phosphatase type 2Cs that related to the hormone signalling pathway especially changed under Na2CO3 stress. Further, the organic acid biosynthesis and metabolism process in rice seedlings were modified by both Na2CO3 and NaHCO3 stresses through the glycolate/glyoxylate and pyruvate metabolism pathways. Collectively, this study provides valuable evidence on carbonate-responsive genes and insights into the different molecular mechanisms of saline and alkaline stresses.

Effects of Acid Dissociation and Ionic Solutions on the Aggregation of 2-Pyrone-4,6-dicarboxylic Acid.

The conversion of lignin can produce biomass-derived aromatic compounds such as 2-pyrone-4,6-dicarboxylic acid (PDC), which is a potential sustainable precursor of bioplastics. PDC is a pseudoaromatic dicarboxylic acid that can aggregate in aqueous solution. Aggregation depends upon PDC-PDC, PDC-water, and PDC-ion interactions that are representative of interactions in similar charged, aromatic compounds. These interactions both dictate PDC aggregation and the likelihood that PDC aggregates exhibit parallel stacking configurations that may promote PDC crystallization, which can be leveraged to separate PDC from solution. However, the interplay of interactions that drive aggregation and structure formation, and how these depend upon the charge of PDC and ionic species present in solution, remains unclear. In this work, we investigate PDC aggregation in diverse ionic solutions using all-atom molecular dynamics simulations and molecular clustering analysis. We consider ion-induced dipole interactions by using a modified Lennard-Jones nonbonded model for divalent ions in solutions. From molecular clustering analysis, we derive characteristic parameters to quantify aggregate sizes and parallel stacking configurations. We show that acid dissociation facilitates PDC aggregation in ionic solutions via ion-mediated interactions, and different ionic solutions influence both the likelihood of aggregation and the formation of parallel aggregates. In particular, we find that parallel stacking is primarily found in solutions with monovalent ions, whereas divalent ions promote larger, but less structured, aggregates. These results provide molecular-scale insight into the effects of specific ions on the aggregation of like-charged PDC molecules to inform understanding of related separation processes.

Two birds with one stone: A ferrocene-based zirconium(IV)-organic framework nanosheet denoting intrinsic high proton conductivity and acting as a fine dopant to chitosan-based composite membranes

Recently, it was demonstrated that employing metal-organic frameworks (MOFs) with prominent proton conductivity (σ) as fillers with organic substrates such as chitosan (CS) or Nafion is an effective approach for preparing composite membranes (CMs) with outstanding functionalities. Inspired by this, one extremely stable Zr(IV)-MOF (namely Zr-FDC) with a nanosheet structure produced by 1,1′-ferrocene dicarboxylic acid (H2FDA) was successfully manufactured in this research and subsequently used as a filler to synthesize a series of CS-based CMs via casting method. The alternating current (AC) impedance determinations manifested that both Zr-FDC and the related CS-based CMs (CS/MOF-x; x = 2, 4, 6, 8 being the mass percentage of Zr-MOF in the CM) showed ultrahigh σ values, indicating the structural advantages of the Zr-MOF. Further research verified that when the MOF doping quantity is 4 %, the CM's (CS/MOF-4) σ is the greatest, being 2.22 × 10−2 S/cm, which is boosted by nearly tenfold at 100 °C and 98 % relative humidity (RH) compared to the original MOF (3.2 × 10−3 S/cm). Furthermore, the CM exhibits superior thermal stability and tensile resistance. Finally, considering the structural features of the MOF and CS, activation energy data, and other determinations, we thoroughly theorized the proton conduction process within the MOF framework and CMs, referencing the subsequent proton exchange membrane design.