Anthranilic Acid Research Articles

Exploring enhanced gas-phase toluene adsorption by engineered a novel magnetic nanoadsorbent modified with p-aminobenzoic acid: Insights on characterization, performance, kinetics, isotherm, mechanism and reusability

In this study, a novel magnetic nanoadsorbent (MNA), Fe3O4@SiO2 functionalized with p-aminobenzoic acid (p-AMBA), was prepared, characterized, and assessed for its efficiency in removing gas-phase toluene, a volatile organic compound (VOC). The Fe3O4, Fe3O4@SiO2, and Fe3O4@SiO2@p-AMBA MNAs were prepared and subjected to comprehensive analysis using techniques such as FTIR, SEM, EDX, VSM, XRD, TGA and BET to clearly reveal their properties through detailed characterization. Adsorption studies revealed that the Fe3O4@SiO2@p-AMBA exhibited the highest capacity, with an adsorption value of 555 mg/g for toluene, compared to 188 mg/g for Fe3O4 and 321 mg/g for Fe3O4@SiO2. The modification with p-AMBA significantly improved the adsorption performance of the material. Kinetic and isotherm models indicated that the adsorption process is best described by the pseudo-2nd-order kinetic model and by the Dubinin-Radushkevich isotherm model, suggesting both physical and chemical adsorption mechanisms. Furthermore, the reusability and adsorption stability performance of the MNAs was evaluated. The MNAs continued exhibiting excellent adsorption, with reuse efficiencies of 83 % (corresponding to 158 mg/g) for Fe3O4, 86 % (corresponding to 279 mg/g) for Fe3O4@SiO2, and 87 % (corresponding to 486 mg/g) for Fe3O4@SiO2@p-AMBA after five consecutive cycles, indicating superior structural and regeneration abilities. The results highlight the significant effect of surface modification on adsorption efficiency, positioning Fe3O4@SiO2@p-AMBA as a promising material for VOC removal and air pollution control. This work highlights the importance of developing sustainable materials to address environmental challenges.

High potency 3-carboxy-2-methylbenzofuran pendrin inhibitors as novel diuretics

Pendrin (SLC26A4) is an anion exchanger expressed in epithelial cells of kidney and lung. Pendrin inhibition is a potential treatment approach for edema, hypertension and inflammatory lung diseases. We have previously identified first-in-class pendrin inhibitors by high-throughput screening, albeit with low potency for pendrin inhibition (IC50 ∼10 μM). Here, we performed a de novo small molecule screen with follow-on structure-activity studies to identify more potent pendrin inhibitors. Screening of 50,000 synthetic small molecules identified four novel classes of pendrin inhibitors with diverse scaffolds, including 5-benzyloxy-2-methylbenzofurans, N-aryl urea substituted 5-methyltryptamines, N-aryl urea substituted anthranilic acid, and substituted N-benzyl 3-carboxyindoles. The most potent inhibitor from the initial screen, a 3-carboxy-2-methylbenzofuran (1a), had IC50 of 4.1 μM. Structure-activity studies using 732 benzofuran analogs identified 1d with IC50 ∼ 0.5 μM for pendrin inhibition. Selectivity studies showed that 1d has minimal or no activity against related ion channels/transporters including SLC26A3, SLC26A6, SLC26A9 and CFTR at high concentrations. 1d administration to mice at 10 mg/kg had no effect on urine volume when used alone, but potentiated the diuretic effect of furosemide by 45%. In conclusion, we have identified novel pendrin inhibitors with greatly improved potency and good in vivo efficacy. These compounds can be used as pharmacological tools to study the roles of pendrin, and potentially developed as drug candidates for edema, hypertension and lung diseases.

Microviridae bacteriophages influence behavioural hallmarks of food addiction via tryptophan and tyrosine signalling pathways.

Food addiction contributes to the obesity pandemic, but the connection between how the gut microbiome is linked to food addiction remains largely unclear. Here we show that Microviridae bacteriophages, particularly Gokushovirus WZ-2015a, are associated with food addiction and obesity across multiple human cohorts. Further analyses reveal that food addiction and Gokushovirus are linked to serotonin and dopamine metabolism. Mice receiving faecal microbiota and viral transplantation from human donors with the highest Gokushovirus load exhibit increased food addiction along with changes in tryptophan, serotonin and dopamine metabolism in different regions of the brain, together with alterations in dopamine receptors. Mechanistically, targeted tryptophan analysis shows lower anthranilic acid (AA) concentrations associated with Gokushovirus. AA supplementation in mice decreases food addiction and alters pathways related to the cycle of neurotransmitter synthesis release. In Drosophila, AA regulates feeding behaviour and addiction-like ethanol preference. In summary, this study proposes that bacteriophages in the gut microbiome contribute to regulating food addiction by modulating tryptophan and tyrosine metabolism.

Symmetry Breaking of Electronic Structure upon the π→π* Excitation in Anthranilic Acid Homodimer

The main purpose of this study is to characterize the nature of the low-energy singlet excited states of the anthranilic acid homodimer (AA2) and their changes (symmetry breaking) caused by deformation of the centrosymmetric, ground state structure of AA2 towards the geometry of the S1 state. We employ both the correlated ab initio methods (approximate Coupled Clusters Singles and Doubles—CC2 and CASSCF/NEVPT2) as well as the DFT/TDDFT calculations with two exchange–correlation functionals, i.e., B3LYP and CAM-B3LYP. The composition of the wavefunctions is investigated using the one-electron transition density matrix and difference density maps. We demonstrate that in the case of AA2, small asymmetric distortions of geometry bring about unproportionally large changes in the excited state wavefunctions. We further provide comprehensive characterization of the AA2 electronic structure, showing that the excitation is nearly completely localized on one of the monomers, which stands in agreement with the experimental evidence. The excitation increases the π-electronic coupling of the substituents and the aromatic ring, but only in the excited monomer, while the changes in the electronic structure of the unexcited monomer are negligible (after geometry relaxation). The increased electronic density strengthens both intra- and intermolecular hydrogen bonds formed by the carbonyl oxygen atom of the excited monomer, making them significantly stronger than in the ground state. Although the overall pattern of changes remains qualitatively consistent across all methods employed, CC2 predicts more pronounced excitation-induced modifications of the electronic structure compared to the more routinely used TDDFT approach. The most important deficiency of the B3LYP functional in the present context is locating two charge-transfer states at erroneously low energies, in close proximity of the S1 and S2 states. The range-corrected CAM-B3LYP exchange–correlation functional gives a considerably improved description of the CT states at the price of overshot excitation energies.

Bio-computational modeling, POM analysis and molecular dynamic simulation for novel synthetic quinolone and benzo[d][1,3]oxazine candidates as antimicrobial inhibitors

The current study offers a metal-free, direct, and successful synthesis technique for a new series of quinolinone and benzo[d][1,3]oxazine, along with an assessment of their biological activities. Heteroannulation of anthranilic acid with carbonyl-containing chemicals (aroyl pyruvate, ethyl acetoacetatete, maleic anhydride, and ethyl cyanoacetate) resulted in the desired quinolones and benzo[d][1,3]oxazines. This technique introduces a number of fundamental breakthroughs in organic synthesis, including metal-free catalysts, smart reaction conditions with column purification, and a wide functional scope. Furthermore, the structure of the newly synthesized chemical series was investigated and validated using spectroscopic techniques. The synthesized series were evaluated for antibacterial (against gram-positive and gram-negative bacterial strains) and antifungal activity. The quinolone and benzo[d][1,3]oxazine candidates had remarkable antibacterial action. Furthermore, molecular docking investigations corroborated the biological studies using the Molecular Operating Environment and Petro Osiris Molinspiration (POM) experiments, which confirmed the activity of compounds 8, 15, and 17. Our studies on the cytotoxic activity of various chemicals have demonstrated that these compounds exhibit minimal toxicity. Specifically, when comparing the cytotoxic effects on human lung fibroblast (WI38) cells to those of Doxorubicin, a well-known chemotherapy agent, compounds 8, 15, and 17 showed weak cytotoxic effects on the normal WI38 cells. This indicates that these compounds may possess some level of selectivity and reduced toxicity towards normal cells, suggesting potential for further exploration as antibacterial agents with a safer profile for normal cells.

Amino-Based Probe for Natural Products with Covalent Binding Ability to Lysine and Mechanism of Action of Medermycin.

A chemoselective amino-based probe was designed for discovering natural products with covalent binding potential to lysine. Using this reactivity-based technique, a marine-derived Streptomyces strain was identified, which could produce medermycin as the major metabolite. A new compound, mederpyrrole A, derived from medermycin and anthranilic acid through nonenzymatic reaction was isolated. Medermycin can react with primary amines under mild conditions to generate chimeric products possessing a naphthoquinone-pyrrole skeleton. It can also covalently bind to proteins.

Multifunctional organic molecule with synergistic modified SnO2 for efficient perovskite solar cells

SnO2 stands as a prominently employed material as electron transport layer (ETL) for perovskite solar cells (PSCs). Nevertheless, SnO2 films prepared at low temperatures are accompanied by defects that will influent the transport of carriers at the interface, misalignment of energy levels, and the quality of thin perovskite film formation. Here, we introduce 4-aminobenzoic acid ethyl ester (4-AN), characterized by its carbonyl (CO) and amino (-NH2) groups, as a synergistic defect passivation agent on the surfaces of SnO2 and perovskite films. This approach aims to enhance the electron transport properties of SnO2. By optimizing the energy alignment between SnO2 and perovskite, 4-AN facilitates more efficient extraction of interfacial carriers, while also promoting the crystalline quality of perovskite films and suppressing carrier recombination at the interface. The long alkyl chains at the end play an important role in relieving the interfacial contact and help to enhance the SnO2/perovskite interfacial connection. Compared with pristine SnO2, the PSCs based on 4-AN modified SnO2 obtained an optimal efficiency of 21.83 %, while the devices maintained 90 % and 83 % of their initial PCE after storage for 1000 h in an N2 environment and humidity of 30–50 %. This work provides valid insights for the development of novel interface modification materials.

Mn-MOF based electrochemical sensor for highly detection of poisonous rat bait (Bromadiolone)

Bromadiolone is a potent rodenticide used to control rat and mouse populations. Because of its anticoagulant properties, it prevents blood clots by interfering with the vitamin K cycle. While effective in pest control, its impact extends beyond the targeted species. Bromadiolone poses significant risks to non-target wildlife, particularly predators and scavengers that may consume poisoned rodents, leading to secondary poisoning. Metal-organic frameworks (MOFs) are a significant class of porous materials that have garnered substantial attention in recent years due to their unique properties and potential applications. Using the sonochemical approach, a novel metal–organic framework (MOF) combining manganese and ligand generated from 2-carboxy-benzaldehyde and 4-aminobenzoic acid has been synthesized. The resulting crystalline material were examined using a range of analytical methods, including thermal analysis, scanning electron microscope (SEM), energy dispersive Xray (EDX), powder X-ray diffraction (PXRD), Fourier-Transform infrared spectroscopy (FT-IR) and (BET) surface area. The findings of the BET study showed that the surface area was 1106.65 m2 g−1. The computed total pore volume was 1.81 cm3 g−1, with an average pore size of 3.27 nm. The newly synthesized Mn-MOF is used in the electrochemical detection of a potent anticoagulant rodenticide bromadiolone, which represented a significant advancement in chemistry. The existence of Mn in the MOF structure enhanced its electrochemical properties, allowing for the sensitive detection of bromadiolone in oats and maize samples.

The Underrepresented Quinolinone Alkaloids in Genera Penicillium and Aspergillus: Structure, Biology, and Biosynthetic Machinery.

Quinolone alkaloids are N-heterocycles with extensive structural diversity, mainly derived from in fungi from anthranilic acid and amino acids as precursors with a wide range of biological activities as antifungal, antimicrobial, anti-inflammatory, and insecticidal activities. The quinolone basic skeleton comprised of either 2-quinolones or 4-quinolones generated more than one hundred compounds. Several reviews discussed quinolones; particularly, the fluoroquinolones, yet few studies tackled natural quinolones. Many of these quinolones were not assayed for their antimicrobial potential despite their unique stereospecificity, which can supersede synthetic quinolones if their discovery is coupled with OMICS techniques, biochemical and molecular strategies as heterologous expression to maximize their yield. Herein, we conducted a comprehensive review of the quinolone's family in Aspergillus and Penicillium species, the exclusive producers of quinolones whether they are soil, endophytic or marine derived highlighting their isolation, chemical structures, pharmacological effects, structure activity relationships if any, and biosynthetic machinery. We believe that our initiative will pave the way for further development of natural quinolones as future antimicrobial agents.

Biosynthesis, characterization, and in-vitro anticancer effect of plant-mediated silver nanoparticles using Acalypha indica Linn: In-silico approach

Cancer is a significant global health issue, with rising prevalence and mortality rates demanding urgent attention. The World Health Organization emphasizes the need for effective prevention, early detection, and treatment strategies to address this public health challenge. Current treatment modalities, including surgery, hormonal therapy, immunotherapy, radiation therapy, and chemotherapy, are often associated with considerable side effects and high costs. This study investigates the biosynthesis of silver nanoparticles using Acalypha indica L. (AgNPs), a medicinal plant recognized for its therapeutic benefits, as a potential cancer treatment with minimal side effects and a lower risk of drug resistance. AgNPs exhibit anti-inflammatory properties and the ability to inhibit angiogenesis while counteracting drug resistance mechanisms. Moreover, the use of chitosan as a coating on AgNPs (AgNPs-Chit) enhances their stability and specificity toward cancer cells, thereby improving their anticancer efficacy. Characterization of the synthesized AgNPs was conducted using various techniques, including UV-Vis spectroscopy, X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), particle size analysis (PSA), and transmission electron microscopy (TEM), confirming the successful synthesis, stability, and spherical morphology of the nanoparticles, with an average diameter of 7 nm and a zeta potential of −24.51 mV. In vitro cytotoxicity testing showed that AgNPs-Chit exhibited stronger anticancer activity against T47D cells with an IC50 value of 173 µg/mL, compared to AgNPs (IC50 244 µg/mL) and the Acalypha indica L extract (IC50 826 µg/mL). When compared to the control, treatments with AgNPs-Chit, AgNPs, and the plant extract demonstrated statistically significant differences (∗p < 0.05, ∗∗p < 0.01). These results indicate that the modification of AgNPs with chitosan (AgNPs-Chit) significantly enhances anticancer efficacy compared to both AgNPs and Acalypha indica L. extract. The modification with AgNPs increased anticancer efficiency by 338%, while AgNPs-Chit showed a 446% increase compared to the original extract, highlighting the enhanced potential of these nanoparticles in inhibiting cancer cell growth. Additionally, molecular docking studies of eight key compounds identified through LC-MS analysis (quercetin, kaempferol, catechin, indoline, 4-aminobenzoic acid, 1-(2-quinolinyl)piperazine, 3-indoleacrylic acid, and pyridine-3-carboxamide) revealed strong binding affinities to the cancer target protein 3PP0, with binding energies ranging from −9.4 to −5.9 kcal/mol, compared to doxorubicin's binding energy of −9.0 kcal/mol.

Peach gum-based polyimine networks with water resistant, high strength and recycling performances

The preparation of the polyimine (PI) networks from renewable feedstocks has attracted increasing attention due to the degradability and self-healing capabilities of PI networks, which contribute to sustainable development. However, most of bio-based PI networks possess poor environmental stability and mechanical strength. Herein, natural peach gum w·as employed to construct water-resistant bio-based PI networks with high performances, by the curing reaction of Schiff base between 4-aminobenzoic acid grafted peach gum polysaccharide and vanillin-derived difunctionalized aldehyde. The resultant polyimine networks (PGBV) exhibit high tensile strength and high Young's modulus, due to their unique network structures. Moreover, PGBV-100 demonstrates excellent hydrophobicity, welding, self-healing and reprocessing abilities. Furthermore, PGBV-100 can completely degrade in an aqueous solution of HCl (0.1 M), enabling closed-loop recycling. In this work, a research strategy for constructing bio-based PI networks with high performances is presented and the resultant PGBV networks show promising potential application as materials for transportation and building materials.

A novel label free electrochemical aptasensor based on poly(anthranilic acid-co-aniline) for detection of miRNA-155, a cancer biomarker

Traditional electrochemical biosensors often rely on expensive materials like gold nanoparticles within their electrode structures. In contrast to existing methods, this research introduces a novel, groundbreaking, label-free aptasensor. This sensor comprises simple and inexpensive materials, making it accessible and budget-conscious. It boasts exceptional sensitivity, allowing for the identification of leukemia cancer biomarker (miRNA-155) in its early stages. The proposed aptasensor consisted of a copolymer of poly anthranilic acid and polyaniline on the graphite sheet, in which the receptor of miRNA-155 was self-assembled on the copolymer. The substrate of receptors has benefits, including high electrical conductivity, excellent stability, good biocompatibility, and simple synthesis. The important variables affecting the adequacy of the designed aptasensor were examined in the presence of [Fe(CN)6]3-/4- as a redox probe. The proposed aptasensor was successfully used in human blood plasma. Due to the ease of preparation, cost, and time effectiveness, the proposed aptasensor is promising for mass production. Finally, at optimum conditions, the sensor exhibited a linear response within a concentration range of 0.1 nM to 1 aM with a detection limit of 1 aM.

Usefulness of the 3-hydroxykynurenine/kynurenic acid ratio as a diagnostic biomarker for diffuse larger B-cell lymphoma.

Reports have shown that the kynurenine pathway, one of the pathways by which tryptophan is metabolized, is activated in patients with diffuse large B-cell lymphoma (DLBCL). Activation of the kynurenine pathway triggers the production of various metabolites, such as kynurenine (Kyn), 3-hydroxykynurenine (3-HK), 3-hydroxyanthranilic acid (3-HAA), kynurenic acid (KA), and anthranilic acid (AA), which contribute to immune tolerance. The current study aimed to investigate the changes in metabolites of kynurenine pathway in DLBCL patients and evaluate their performance predicting DLBCL. Changes in metabolites of kynurenine pathway were examined using high-performance liquid chromatography in 35 DLBCL patients (age 61.2 ± 13.5years) and 44 healthy controls (age 58.5 ± 12.5years). DLBCL patients had significantly higher levels of 3-HK, AA, and 3-HAA but lower levels of tryptophan (Trp) and KA compared to healthy controls. Given that the ratio of each metabolite represents the change in the Kyn pathway, the 3-HK/KA ratio was examined. Notably, DLBCL patients had a significantly higher 3-HK/KA ratio compared to healthy controls. In DLBCL, the area under the receiver operative characteristic (ROC) curve for 3-HK/KA (0.999) was higher than that for lactate dehydrogenase (0.885) and comparable to that for soluble interleukin-2 receptor (sIL-2R) (0.997). Based on ROC curve analysis, the 3-HK/KA ratio was found to be useful biomarker for the diagnosis of DLBCL. Our results suggest that the 3-HK/KA ratio is a clinically useful biomarker of DLBCL. Moreover, its combination with existing markers, such as sIL-2R, can improve its effectiveness of diagnosing DLBCL.

Design, synthesis, and cytotoxic activity of 2-amino-1,4-naphthoquinone-benzamide derivatives as apoptosis inducers

A new series of 2-amino-1,4-naphthoquinone-benzamides 5a-n was designed based on previously reported potent cytotoxic agents. These compounds were synthesized from the reaction of 1,4-naphthoquinone, 4-aminobenzoic acid, and appropriate amine derivatives in good yields. Cytotoxic activities of the target compounds 5a-n were evaluated against three cancer cell lines MDA-MB-231, SUIT-2, and HT-29 by MTT assay and the obtained in vitro data. All newly synthesized compounds were more potent than positive control cisplatin against MDA-MB-231 cell line and less potent than this control against SUIT-2 cell line. Moreover, most of the synthesized compounds were more potent than cisplatin against HT-29 cell line. Among the synthesized compounds, compound 5e was the most potent cytotoxic agent against all the three evaluated cell lines. Moreover, cell cycle analysis showed that derivatives 5f and 5l dose-dependently increase the percentage of sub-G1 cells. Induction of apoptosis as an important mechanism of anti-cancer drugs was confirmed morphologically in the most potent new compounds 5e, 5f, 5g, and 5l by Hoechst 33,258 staining.

Synthesis and antifungal activity of novel amide derivatives from quinic acid against the sweet potato pathogen Ceratocystis fimbriata.

Ceratocystis fimbriata is a fungal pathogen that infects sweet potato roots, producing enormous economic losses. Cyclic polyhydroxy compound quinic acid is a common metabolite synthesized in plant tissues, including sweet potato tubers, showing weak antifungal properties. Although several O-acylated quinic acid derivatives have been synthesized and found in nature and their antifungal properties have been explored, derivatives based on modification of the carboxylic acid have never been evaluated. In this study, amide derivatives were synthesized via linkage of amines with the carboxylic acid moiety of quinic acid. Derivatives with high dipolar moments and a low number of rotatable bonds showed greater antifungal activities toward C. fimbriata in vitro than quinic and chlorogenic acids. Derivative 5b, which was synthesized by coupling p-aminobenzoic acid (pABA) with quinic acid, had the greatest antifungal activity. 5b showed iron(II)-chelating properties and reduced ergosterol content in C. fimbriata cells, causing irregularities in the fungal cell wall and inhibiting conidia agglutination. Application of 3 mm 5b reduced black rot symptoms in sweet potatoes by 70.1%. Collectively, derivatization of the carboxylic acid from quinic acid was demonstrated to be a suitable strategy to improve the antifungal properties of this compound. This study reveals a new efficient strategy for management of the sweet potato pathogen C. fimbriata. © 2024 Society of Chemical Industry.

Synthetic studies on the tetrasubstituted D-ring of cystobactamids lead to potent terephthalic acid antibiotics

Novel scaffolds for broad-spectrum antibiotics are rare and in strong demand because of the increase in antimicrobial resistance. The cystobactamids, discovered from myxobacterial sources, have a unique hexapeptidic scaffold with five arylamides and possess potent, resistance-breaking properties. This study investigates the role of the central D-ring pharmacophore in cystobactamids, a para-aminobenzoic acid (PABA) moiety that is additionally substituted by hydroxy and isopropoxy functions. We varied the two oxygenated substituents and replaced both amide connectors with bioisosteres. Synthetic routes were developed that included metal-mediated aromatic functionalization or heterocycle formations, leading to 19 novel analogues. The antibiotic efficacy of all analogues was determined against bacteria from the ESKAPE pathogen panel. While the replacement and the repositioning of hydroxy and isopropoxy substituents was not advantageous, exchanging PABA by terephthalic acid amides led to the highly potent analogue 42 with broad-spectrum activity, insensitivity towards AlbD-mediated degradation and promising pharmacokinetic properties in mice. The study highlights the steep structure-activity relationships in the tetrasubstituted D-ring and a surprisingly favorable reversion of the amide connecting C and D.

Functional organic adlayers for controlling the adhesion strength of electrolessly deposited copper on super-engineering plastics

Effective metallization of super-engineering plastics such as liquid crystal polymers (LCP) and polyphenylene sulfides (PPS) via electroless deposition of copper thin films is an important step in the manufacturing of a wide range of devices. Copper deposition typically requires a pre-treatment step involving chemical and/or mechanical roughening to ensure high adhesion at the polymer/Cu interface; however such treatments are detrimental to patterns and topographic features of the polymer that possess µm resolution and/or high aspect ratio. Herein, we demonstrate that it is possible to regulate and improve adhesion of electrolessly deposited copper thin films at LCP and PPS materials via multilayer functionalization with aryldiazonium cations of a p-aminobenzoic acid precursor. We first demonstrate that aryldiazonium grafting conditions can be optimized to overcome the chemical inertness of LCP/PPS without resorting to harsh oxidative or mechanical treatments. We then show that the density of Ar-COOH groups can be regulated by modifying the number of functionalization cycles. X-ray photoelectron spectroscopy studies shows that this has a clear impact on the composition of the catalytic nanoparticle layer required for copper deposition. Adhesion strength studies demonstrate that such changes translate into improved adhesion strengths without any adverse effects on surface roughness. Control experiments with alternative chemical moieties suggest that specific chemical interactions between catalytic seeds and grafted carboxylate groups play an important role in the observed improved adhesion.

Design, synthesis and FXR partial agonistic activity of anthranilic acid derivatives bearing aryloxy moiety as therapeutic agents for metabolic dysfunction-associated steatohepatitis

Farnesoid X receptor (FXR) is considered a promising therapeutic target for the treatment of metabolic dysfunction-associated steatohepatitis (MASH). Increasing evidence suggests that targeting FXR with full agonists may lead to side effects. FXR partial agonists, which moderately activate FXR signaling, are emerging as a feasible approach to mitigate side effects and address MASH. Herein, a series of novel anthranilic acid derivatives bearing aryloxy moiety were designed and synthesized using a hybrid strategy from the previously identified FXR partial agonists DM175 and AIV-25. Particularly, compound 26 exhibited potent FXR partial agonistic activity in a dual-luciferase reporter gene assay with an EC50 value of 0.09 ± 0.02 µM (75.13 % maximum efficacy relative to OCA). In the MASH mice model, compound 26 significantly ameliorated the pathological features of the liver, including steatosis, inflammation, and fibrosis. In addition, compound 26 displayed high selectivity, good oral bioavailability, high liver distribution, as well as an acceptable safety profile. Molecular simulation studies showed that compound 26 fitted well with the binding site of FXR. Collectively, these findings demonstrated that compound 26 might serve as a promising candidate targeting FXR for MASH treatment.

Structural insights, spectroscopic investigation, topological and z-scan analysis of 2-amino-4,6-dimethoxypyrimidine 4-aminobenzoic acid: experimental and theoretical approach

Structural insights, spectroscopic investigation, topological and z-scan analysis of 2-amino-4,6-dimethoxypyrimidine 4-aminobenzoic acid: experimental and theoretical approach

Improved Hydrothermal Conversion of Pea Pod Biomass for Production of Platform Chemicals with Organic Acid Catalysts

Agro-industries produce over 2 billion tons of agricultural waste annually, including by-products like bagasse, molasses, seeds, stems, leaves, straw, and shells. The use of agro-industrial waste is a way to reduce the impact of industrial processes on the environment. The pea pod is a biomass with a high concentration of cellulose, hemicellulose and some lignin; therefore, it can be used to produce platform chemicals by means of a hydrothermal process. There is limited research on the hydrolysis of pea biomass, but it has been shown to obtain high yields. This study analyzed the effectiveness and selectivity of the hydrothermal process using pea pod biomass with a particle size of 0.5 mm at 180 °C for one hour. A 500 mL reactor was used, with a biomass-to-acid solution ratio of 1:20. The concentration of the acid solution was 0.02 M. The concentrations of sugar, formic acid, levulinic acid, HMF, and furfural produced were measured. Among the catalysts studied, adipic acid catalysis showed the highest yield of 65.16%, with 37.09% of sugar, 16.37% of formic acid, and 11.71% of levulinic acid. On the other hand, the catalysts with chloroacetic acid, butyric acid, anthranilic acid, and phthalic acid were less effective but demonstrated selectivity for sugar production, proving that the liquid phase obtained using the catalyst with those acids can be used as carbon sources for a fermentation process. In general, when comparing the process with or without the use of a catalyst, it is observed that with a catalyst in the reaction, the amount of HMF and furfural produced is reduced and the selectivity with respect to sugar production is increased.