Carboxylic Derivatives Research Articles

Integrated transcriptomics and untargeted metabolomics reveal bone development and metabolism of newly weaned mice in response to dietary calcium and boron levels.

Epidemiological and animal studies have indicated that calcium and boron are essential for bone development and metabolism. However, limited information is available regarding the effects of boron supplementation on bone development and metabolism in newly weaned infants with either calcium deficiency or calcium sufficiency. This study assessed the effects of dietary boron supplementation (0 and 3 mg kg-1) on bone development and metabolism, in a newly weaned mouse model, under both calcium deficiency and sufficiency feeding conditions. The results show that mice fed a calcium sufficient diet exhibited lower fat percentage and final body weight than those fed a calcium deficient diet. Boron supplementation reduced the serum high-density lipoprotein cholesterol level and up-regulated the mRNA levels of FABP3, PPAR-γ, and CaMK in the intestinal mucosa. Importantly, boron supplementation increased the tibial weight in mice on a calcium-sufficient diet and enhanced the tibial volume in those on a calcium-deficient diet. Metabolomic analysis highlighted calcium and boron's impact on metabolites like carboxylic acids and derivatives, fatty acyls, steroids and steroid derivatives, benzene and substituted derivatives, organonitrogen compounds, organooxygen compounds, and phenols, and were related to lipid metabolism and the neural signaling pathway. Transcriptomic analysis corroborated the role of calcium and boron in modulating bone metabolism via the JAK-STAT, calcium signaling, lipid metabolism, and inflammatory pathways. Multi-omics analysis indicated a strong correlation between calcium signaling pathways, lipid metabolism signaling, and dietary calcium and boron contents. This research provides insights into these complex mechanisms, potentially paving the way for novel interventions against calcium and boron deficiencies and bone metabolism abnormalities in clinical settings.

Effects of lactic acid bacteria and cellulase additives on the fermentation quality, antioxidant activity, and metabolic profile of oat silage

Oats (Avena sativa L.) are rich in nutrients and bioactive compounds, serving as a roughage source for ruminants. This study investigated the impact of lactic acid bacteria (LAB), cellulase (M), and their combinations (LM) on the fermentation quality and metabolic compounds of oat silage. Results demonstrated that all additive treatments significantly increased lactic acid content compared to the control group (P < 0.05), with the lactic acid bacteria treatment group exhibiting the lowest pH value (P < 0.05). Analysis of antioxidant activity and metabolites in oat silage over 60 days revealed 374 differential metabolites with 113 up-regulated and 261 down-regulated, and all treatment groups showing higher antioxidant activity than raw oat materials (P < 0.05). Although no significant differences in antioxidant activity were observed among the various treatment groups in this experiment, notable changes in metabolic pathways were identified. Furthermore, two metabolites (carboxylic acids and derivatives and benzene and substituted derivatives) were identified through non-targeted metabolomics technology, both of which are strongly associated with the antioxidant activity of oat silage. This finding provides a theoretical basis for the efficient use of oat silage in animal husbandry.Graphical abstract

Synthesis, spectroscopic characterization, antimicrobial activity, and computational studies of five and/or six heterocyclic nitrogen rings linked to thienopyrazole moiety

A new series of thienopyrazoles linked to five and/or six heterocyclic nitrogen rings such as pyrazole, triazole-3-thione, oxadiazole, thiazole-2-thione and/or pyrimidone moieties was synthesized starting from 5-amino-1,3-diphenyl-1H-thieno[3,2-c]pyrazole-6-carboxylic acid hydrazide as a key precursor. For the synthesis of new thienopyrazoles 2-13, the carboxylic acid hydrazide derivative 1 served as a crucial intermediary. These novel heterocyclic structures were confirmed by analytical and spectroscopic methods (m.p., IR, 1H-NMR, 13C-NMR, and MS). The new compounds 2-13 were evaluated for their antimicrobial activity to identify new drug candidates to combat diseases caused by microbial strains. Against numerous bacterial and fungal strains, certain derivatives of the produced compounds 9 and 11 demonstrated impressive antimicrobial activity. Besides, molecular docking of the newly compounds was conducted against methicillin-resistant Staphylococcus aureus (MRSA) (2 × 3f.pdb). Among the series, compounds 9 and 11 exhibited the best binding affinity towards the target enzyme -10.1 and -10.5 kcal/mol, respectively. The optimized structures and molecular orbitals of the best docked compounds were predicted using DFT (Density Functional Theory) analysis. Our findings represented that both derivatives 9 and 11 could be utilized for development antimicrobial drug candidates.

Synthesis, Characterization, Theoretical, and evaluation of Eco-Friendly benzimidazolylmethyl-pyrazole carboxylate Schiff Bases corrosion inhibitors for mild steel

In this study, benzimidazolylmethyl-pyrazole carboxylate derivatives were synthesized via a 1,3-dipolar cycloaddition reaction and characterized using IR, HRMS and NMR spectroscopy. Three derivatives, namely ethyl 5-((3-(cyclohex-1-en-1-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate (Ph-BPC), ethyl 5-((3-(cyclohex-1-en-1-yl)-2-oxo-2,3-dihydro- 1H-benzo[d]imidazol-1-yl)methyl)-1-(p-tolyl)-1H-pyrazole-3-carboxylate (CH3Ph-BPC), and ethyl 1-(4-chlorophenyl)-5-((3-(cyclohex-1-en-1-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)-1H-pyrazole-3-carboxylate (ClPh-BPC), were evaluated as corrosion inhibitors for mild steel (MS) in a 1 M HCl solution. Potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) measurements revealed high inhibition efficiencies of 98.5 %, 98.2 %, and 97.7 % for ClPh-BPC, Ph-BPC, and CH3Ph-BPC, respectively, at a concentration of 10-4 M. Scanning electron microscopy (SEM), energy-dispersive X-ray (EDX) and X-ray diffraction (XRD) analyses confirmed the formation of protective surface layers, significantly reducing corrosion rates. Thermodynamic analysis indicated that the adsorption of these inhibitors follows the Langmuir isotherm model with adsorption energies of −50.12 kJ/mol for ClPh-BPC, −50.52 kJ/mol for Ph-BPC, and −51.62 kJ/mol for CH3Ph-BPC, suggesting chemisorption. Computational studies, including Monte Carlo (MC), density functional theory (DFT), and molecular dynamics (MD) simulations, showed strong agreement with experimental results, further validating the adsorption behavior and corrosion inhibition mechanisms of these compounds.

Lycium barbarum arabinogalactan inhibits Escherichia coli and improves Lactobacillus plantarum growth in a defined microbial model of human gut microbiome

Arabinogalactan from Lycium barbarum (LBP-3) is the major biological activity component and contributes to maintaining intestinal immune homeostasis by targeting gut microbiota and their metabolites. However, it is still a big challenge to know the specific ecological microbe-metabolite interaction regulated by LBP-3 due to the host complex diet webs and lots of unidentified intestinal bacteria. Therefore, the present study constructed a defined microbial consortium, composing of symbiotic Bacteroides caccae, Phocaeicola vulgatus, B. thetaiotaomicron, B. uniformis, B. ovatus, Lactobacillus plantarum and Escherichia coli in vitro, to investigate the impact of LBP-3 on the interactions of species and their metabolites. The utilization of LBP-3 by the defined microbial consortium of 7 intestinal species was 22.5%. Full-length 16S rRNA analysis demonstrated that LBP-3 significantly modulated the composition of synthetic bacterial community, especially inhibiting the level of opportunistic pathogenic E. coli and improving the relative abundance of probiotic L. plantarum and all Bacteroidetes species except B. ovatus. LBP-3 remarkedly influenced 27 differential metabolites, mainly belong to amino acids, peptides and analogues (37.04%) and carboxylic acid and derivatives (7.41%). Moreover, targeted metabolomics revealed that the levels of acetate, propionate, tryptophan and 5-methylthioadenosine were improved by LBP-3. In addition, LBP-3 modulated the pathways of tryptophan metabolism, cysteine and methionine metabolism, and biosynthesis of siderophore group nonribosomal peptides. Notably, some amino acids (e.g., proline and glutamate) and their related metabolic pathways (e.g., arginine and proline metabolism) altered by LBP-3 were significantly correlated with the levels of species, such as B. uniformis, P. vulgatus, and B. thetaiotaomicron.

Insecticide-Induced Metabolic Dysregulation in Model Microbe E. coli Discovered by Comprehensive Metabolic Profiling.

Fipronil, malathion, and permethrin are widely used insecticides in agriculture, public areas, and residential spaces. The globally abused application of these chemicals results in residues surpassing established maximum residue levels, giving rise to potential toxicity in unintended organisms. Long-term exposure and the persistent accumulation of these insecticides in animals and humans pose threats such as neurotoxicity, liver and kidney damage, and microbiota dysbiosis. Despite the known risks, the specific impact of these insecticides on gut microbiota and their metabolic processes, as well as the subsequent effects on host health, remain largely unknown. This study aimed to address this gap by utilizing nonpathogenic Escherichia coli as a representative of human gut bacteria and examining its growth and metabolic perturbations induced by exposure to fipronil, malathion, and permethrin. Our research showed that exposure of E. coli to fipronil, malathion, and permethrin at physiologically relevant concentrations resulted in significant growth inhibition. Furthermore, we have observed the biodegradation of fipronil and permethrin by E. coli, while no biodegradation was found for malathion. Thus, E. coli is capable of degrading fipronil and permethrin, thereby enabling the removal of those substances. Next, we studied how insecticides affect bacterial metabolism to understand their influence on the functions of the microbes. Our metabolomics analysis revealed chemical-dependent alterations in metabolic profiles and metabolite compositions following insecticide exposure. These changes encompassed shifts in carboxylic acids and derivatives, organooxygen compounds, as well as indoles and their derivatives. To gain a deeper insight into the systematic changes induced by these insecticides, we conducted a metabolic pathway analysis. Our data indicated that fipronil, compared with malathion and permethrin, exhibited opposite regulation in glycine, serine, and threonine metabolism and valine, leucine, and isoleucine biosynthesis. In summary, our study demonstrates the capability of E. coli to degrade fipronil and permethrin, leading to their removal, while malathion remains unaffected. Additionally, we reveal chemical-dependent alterations in bacterial metabolism induced by insecticide exposure, with specific impacts on metabolic pathways, particularly in pathways related to amino acid metabolism.

Polar Interactions between Substrate and Flavin Control Iodotyrosine Deiodinase Function.

Flavin cofactors offer a wide range of chemical mechanisms to support a great diversity in catalytic function. As a corollary, such diversity necessitates careful control within each flavoprotein to limit its function to an appropriate subset of possible reactions and substrates. This task falls to the protein environment surrounding the flavin in most enzymes. For iodotyrosine deiodinase that catalyzes a reductive dehalogenation of halotyrosines, substrates can dictate the chemistry available to the flavin. Their ability to stabilize the necessary one-electron reduced semiquinone form of flavin strictly depends on a direct coordination between the flavin and α-ammonium and carboxylate groups of its substrates. While perturbations to the carboxylate group do not significantly affect binding to the resting oxidized form of the deiodinase, dehalogenation (kcat/Km) is suppressed by over 2000-fold. Lack of the α-ammonium group abolishes detectable binding and dehalogenation. Substitution of the ammonium group with a hydroxyl group does not restore measurable binding but does support dehalogenation with an efficiency greater than those of the carboxylate derivatives. Consistent with these observations, the flavin semiquinone does not accumulate during redox titration in the presence of inert substrate analogues lacking either the α-ammonium or carboxylate groups. As a complement, a nitroreductase activity based on hydride transfer is revealed for the appropriate substrates with perturbations to their zwitterion.

Synthesis and biological evaluation of novel carboxylic acid DHA-alkanolamine derivatives as anti-inflammatory agents by targeting Nur77

In this study, twenty-five novel carboxylic acid DHA-alkanolamine derivatives were synthesized by the reaction of cis-docosa-4,7,10,13,16,19-hexaenoic acid-alkanolamine (DHA-AA) with various carboxylic acids, including Naproxen (S1), Ibuprofen (S2), Ferulic acid (S3), Mefenamic acid (S4), and Aspirin (S5). Their molecular structures were characterized using 1H/13C NMR and HRMS techniques. To evaluate the anti-inflammatory activities of synthesized compounds, RAW264.7 macrophage cells pretreated with or without these compounds, were stimulated by LPS, and the levels of pro-inflammatory cytokines (NO, TNF-α, IL-1β, and IL-6) were then measured by ELISA, qPCR, and Western Blot. The cell-based assays showed that compound 11 had marked anti-inflammatory activity. In addition, the molecular docking study and SPR assay demonstrated that compound 11 exhibited good Nur77-binding affinity (KD = 3.61 × 10−6 M). Moreover, compound 11 was found to inhibit NF-κB activation in a Nur77-dependent manner. Notably, compound 11 could attenuate LPS-induced inflammation in the mouse acute lung injury (ALI) model. In conclusion, these derivatives are potential Nur77-targeting anti-inflammatory agents against versatile inflammatory and autoimmune disorders.

Biological and chemical enhancements of Elaeocarpus sylvestris var. ellipticus through fermentation: Implications for therapeutic and industrial applications

This study aimed to evaluate the biological and chemical improvements that take place during the yeast fermentation of hot water-extracted Elaeocarpus sylvestris (HES). HES was diluted with sterile distilled water to a final concentration of 1:200 (v/v), followed by the inoculation of Pichia fermentans (PF) and Saccharomyces cerevisiae (SC) were inoculated as starters. The fermentation by yeast strains proceeded for five days, during which the viable cell count and pH were monitored. The radical scavenging activity was assessed using DPPH and ABTS assays. The impact of HES on proinflammatory cytokines in RAW 264.7 cells and cytotoxicity in HT-29, MCF-7, and INT407 cells was examined. Changes in metabolic profile during fermentation were analyzed using GC-TOF-MS and UPLC-Orbitrap-MS/MS. HES fermented with PF and SC maintained viable cell counts throughout the 5-day fermentation period. The pH levels were consistently within the range of 3.62 ± 0.03 to 3.65 ± 0.15. The expression of TNF-α and IL-6 significantly decreased at all concentrations (31–500 mg/mL) in RAW cells treated with lipopolysaccharide and HES, with cytokine expression levels returning to baseline levels. The cell viability of INT407 significantly increased following HES treatment (p < 0.05). Fermentation of HES with PF or SC led to significant changes in the composition ratios of carboxylic acids and derivatives, and organooxygen compounds. The HES extract demonstrates potential applicability as a raw material with antioxidative, anti-inflammatory, and anticancer properties for applications in the food and cosmetic industries.

Effects of bicarbonate on antioxidant, immune, osmolytic and metabolic capabilities of Scylla paramamosain

The world is rich in saline-alkali water resources, and the effective utilization of saline-alkali water resources is of great significance to the promotion of human economic development. This study investigated the effects of carbonate saline water on the immune, antioxidant, osmotic regulatory, and metabolic capacities of S. paramamosain. Bicarbonate stress resulted in damage to the hepatopancreas, as well as significantly upregulating the activities of superoxide dismutase and catalase, indicating that the antioxidant capacity increased under short-term bicarbonate stress, but then decreased. Long-term bicarbonate stress caused further oxidative damage. The activities of alkaline phosphatase and acid phosphatase also significantly increased, indicating an initially enhanced immune response of S. paramamosain to carbonate salinity stress that then declined, suggesting that the ability to mount an immune response decreased following long-term exposure. High bicarbonate levels also significantly inhibited the osmotic regulation ability of S. paramamosain, and negatively impacted metabolic indexes (e.g., glucose, total cholesterol, triglycerides, urea nitrogen, and uric acid). Three groups of metabolites were differentially upregulated and 95 were differentially downregulated, including ‘organooxygen compounds’, ‘carboxylic acids and derivatives’, ‘fatty acyls’, ‘glycerophospholipids’ and ‘keto acids and derivatives’. Thus, long-term bicarbonate stress also decreased energy metabolism in S. paramamosain. Under long-term bicarbonate stress, related products of energy metabolism were significantly downregulated, and bicarbonate stress significantly inhibited energy uptake in S. paramamosain. This study analyzed the stress mechanism of bicarbonate on S. paramamosain, further enriched the culture theory of S. paramamosain, in order to provide a theoretical basis for the improvement of saline-alkaline water culture technology of S. paramamosain.

A benchmark quantum chemical probe into the structural stability of various anchoring groups to form graphene oxides

Graphene and graphene oxides (GO) are among the intriguing materials of this era, being widely used in many modern technologies. Many properties of GOs are owing to its more reactivity as compared with graphene. It is interesting to study the changes in chemical properties while changing graphene to GOs. There are commonly known three ways to change a graphene to GO by adding epoxy, hydroxyl and carboxyl groups. We used quantum chemical methods to systematically attach epoxy, hydroxyl and carboxyl groups on graphene surface. We designed GOs as hydroxyl (OH-GO), epoxy (O-GO), carboxyl (COOH-GO) derivatives of graphene and one derivative with all functional groups collectively (HEC-GO). In the current work, we have employed DFT method by using B3LYP functional along with 6-31G* basis set to calculate electronic properties computationally. The calculated band gap for GOs are less than pristine graphene (1.680 eV). Minimum band gap of 1.565 eV is shown by O-GO, while compound HEC-GO with collective functional groups shows 1.539 eV. Frontier molecular orbitals, molecular electrostatic potential maps and density of state analysis has been performed. Localized orbital locator (LOL) are drawn to check the charge transfer via topology visualization. Binding energy has been calculated using basis set superposition error (BSSE) correction. COOH-GO shows binding energy of −302.90 kcal/mol which is seen better than OH-GO and O-GO systems. NPA analysis showed that there is more ICT as functional groups are attached to the pristine graphene molecule because of the strong electron withdrawing nature of attached groups. TD-DFT with TD-B3LYP/6-31G* is employed to check the absorption properties of entitled compounds. Graphene shows maximum absorption at 341 nm, while GOs shows red shift, e.g., COOH-GO at 371 nm, OH-GO at 386 nm, HEC-GO at 409 nm and O-GO at 462 nm. The current investigation highlighted the molecular level insights about the stability and relative role of epoxy, hydroxyl and carboxyl groups on graphene surface during formation of GOs.

Multi-omics analysis to evaluate the effects of solar exposure and a broad-spectrum SPF50+ sunscreen on markers of skin barrier function in a skin ecosystem model.

Sun exposure induces major skin alterations, but its effects on skin metabolites and lipids remain largely unknown. Using an original reconstructed human epidermis (RHE) model colonized with human microbiota and supplemented with human sebum, we previously showed that a single dose of simulated solar radiation (SSR) significantly impacted the skin metabolome and microbiota. In this article, we further analyzed SSR-induced changes on skin metabolites and lipids in the same RHE model. Among the significantly altered metabolites (log2-fold changes with p ≤ 0.05), we found several natural moisturizing factors (NMFs): amino acids, lactate, glycerol, urocanic acid, pyrrolidone carboxylic acid and derivatives. Analyses of the stratum corneum lipids also showed that SSR induced lower levels of free fatty acids and higher levels of ceramides, cholesterols and its derivatives. An imbalance in NMFs and ceramides combined to an increase of proinflammatory lipids may participate in skin permeability barrier impairment, dehydration and inflammatory reaction to the sun. Our skin model also allowed the evaluation of an innovative ultraviolet/blue light (UV/BL) broad-spectrum sunscreen with a high sun protection factor (SPF50+). We found that using this sunscreen prior to SSR exposure could in part prevent SSR-induced alterations in NMFs and lipids in the skin ecosystem RHE model.

Azo Pyrazole Carboxylic Derivatives for Potential Energetic Materials

Azo Pyrazole Carboxylic Derivatives for Potential Energetic Materials

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

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

Comparative Genomic and Genetic Evidence on a Role for the OarX Protein in Thiamin Salvage.

Salvage pathways for thiamin and its thiazole and pyrimidine moieties are poorly characterized compared to synthesis pathways. A candidate salvage gene is oarX, which encodes a short-chain dehydrogenase/reductase. In diverse bacteria, oarX clusters on the chromosome with genes of thiamin synthesis, salvage, or transport and is preceded by a thiamin pyrophosphate riboswitch. Thiamin and its moieties can undergo oxidations that convert a side-chain hydroxymethyl group to a carboxyl group, or the thiazole ring to a thiazolone, causing a loss of biological activity. To test if OarX participates in salvage of the carboxyl or thiazolone products, we used a genetic approach in Corynebacterium glutamicum ATCC 14067, which is auxotrophic for thiamin's pyrimidine moiety. This strain could not utilize the pyrimidine carboxyl derivative. This excluded a role in salvaging this product and narrowed the function search to metabolism of the carboxyl or thiazolone derivatives of thiamin or its thiazole moiety. However, a ΔthiG (thiazole auxotroph) strain was not rescued by any of these derivatives. Nor did deleting oarX affect rescue by the physiological pyrimidine and thiazole precursors of thiamin. These findings reinforce the genomic evidence that OarX has a function in thiamin metabolism and rule out five logical possibilities for what this function is.

Multi-omic analysis reveals the effects of interspecific hybridization on the synthesis of seed reserve polymers in a Triticum turgidum ssp. durum × Aegilops sharonensis amphidiploid

BackgroundWheat grain endosperm is mainly composed of proteins and starch. The contents and the overall composition of seed storage proteins (SSP) markedly affect the processing quality of wheat flour. Polyploidization results in duplicated chromosomes, and the genomes are often unstable and may result in a large number of gene losses and gene rearrangements. However, the instability of the genome itself, as well as the large number of duplicated genes generated during polyploidy, is an important driving force for genetic innovation. In this study, we compared the differences in starch and SSP, and analyzed the transcriptome and metabolome among Aegilops sharonensis (R7), durum wheat (Z636) and amphidiploid (Z636×R7) to reveal the effects of polyploidization on the synthesis of seed reserve polymers.ResultsThe total starch and amylose content of Z636×R7 was significantly higher than R7 and lower than Z636. The gliadin and glutenin contents of Z636×R7 were higher than those in Z636 and R7. Through transcriptome analysis, there were 21,037, 2197, 15,090 differentially expressed genes (DEGs) in the three comparison groups of R7 vs Z636, Z636 vs Z636×R7, and Z636×R7 vs R7, respectively, which were mainly enriched in carbon metabolism and amino acid biosynthesis pathways. Transcriptome data and qRT-PCR were combined to analyze the expression levels of genes related to storage polymers. It was found that the expression levels of some starch synthase genes, namely AGP-L, AGP-S and GBSSI in Z636×R7 were higher than in R7 and among the 17 DEGs related to storage proteins, the expression levels of 14 genes in R7 were lower than those in Z636 and Z636×R7. According to the classification analysis of all differential metabolites, most belonged to carboxylic acids and derivatives, and fatty acyls were enriched in the biosynthesis of unsaturated fatty acids, niacin and nicotinamide metabolism, one-carbon pool by folate, etc.ConclusionAfter allopolyploidization, the expression of genes related to starch synthesis was down-regulated in Z636×R7, and the process of starch synthesis was inhibited, resulting in delayed starch accumulation and prolongation of the seed development process. Therefore, at the same development time point, the starch accumulation of Z636×R7 lagged behind that of Z636. In this study, the expression of the GSe2 gene in Z636×R7 was higher than that of the two parents, which was beneficial to protein synthesis, and increased the protein content. These results eventually led to changes in the synthesis of seed reserve polymers. The current study provided a basis for a greater in-depth understanding of the mechanism of wheat allopolyploid formation and its stable preservation, and also promoted the effective exploitation of high-value alleles.

Theoretical Insight into Psittacofulvins and Their Derivatives

Psittacofulvins are polyenal dyes responsible for coloring parrot feathers and protecting them against photo-oxidation, harmful radicals, and bacterial degradation. To explain the unusual properties of these compounds, the thermodynamic and global chemical activity descriptors characterizing four natural and three synthetic psittacofulvins, as well as their hydroxyl, carboxyl and dialdehyde derivatives, were determined. To this aim, the DFT method at the B3LYP/QZVP theory level and the C-PCM solvation model were used. The calculations enabled the selection of the projected compounds for the greatest bioactivity and potential applicability as multifunctional ingredients in medicines, cosmetics, supplements, and food, in which they may play a triple role as preservative, radical scavenger, and coloring agent. The results obtained provide arguments for the identification of a fifth psittacofulvin within the parrot feather pigment, characterized by ten conjugated double bonds (docosadecaenal).

Cyclometalated half‐sandwich iridium complexes: Synthesis, characterization, and catalytic activity in preparation of esters from halides by using formate as both CO source and coupling partner

A highly efficient carbonylation of aryl halides using half‐sandwich iridium catalysis was developed, providing a new avenue for synthesizing carboxylic ester derivatives and yielding consistently impressive results. These iridium complexes demonstrated remarkable catalytic performance in the coupling reaction using phenyl formate derivatives as the source of CO, phenol, and aryl halides as the starting material in the presence of air and possessed good air and moisture stability properties. Ester products with different substituents were synthesized at low reaction temperatures without the need for an inert atmosphere, leading to high yields. The broad substrate scope, impressive catalytic activity, and mild reaction conditions suggest promising industrial applications for this catalytic system. The desired metal complexes 1–4 have been well proven by attenuated total reflectance‐Fourier transform infrared (ATR‐FTIR), nuclear magnetic resonance (NMR), and elemental analysis (EA). The molecular structure of the cyclometalated iridium complexes 2 and 3 was proven through X‐ray crystallography. Additionally, the possible mechanism of this Ir‐catalyzed process is further supported by the density functional theory (DFT) study.

Metabonomics analysis of aqueous humor samples from cataract patients with branch retinal vein occlusion.

Cataract (CAT) has a very high incidence rate among the middle-aged and elderly, with most patients complicated by branch retinal vein occlusion (BRVO), a key cause of blindness. In this study, through metabolomic analysis of aqueous humor samples from CAT patients with BRVO, a total of 319 different metabolites were found, most of which belonged to the categories of carboxylic acids and derivatives, fatty acyls, and organooxygen compounds. The most typical metabolites were 3-methylhistidine and biliverdin, which were up-regulated, as well as the down-regulated beta-glycerophosphoric acid. Tricosanoic acid showed the most significant correlation with CAT+BRVO. According to the Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis, the most commonly related keywords for differentially expressed metabolites were biosynthesis of unsaturated fatty acids and synaptic vesicle cycle. These results can not only help to further understand the pathogenesis of CAT complicated by BRVO in clinical practice, but also provide some new therapeutic research directions.

Integrated proteomics, transcriptomics, and metabolomics offer novel insights into Cd resistance and accumulation in Poa pratensis

Kentucky bluegrass (Poa pratensis L., KB) demonstrates superior performance in both cadmium (Cd) accumulation and tolerance; however, the regulatory mechanisms and detoxification pathways in this species remain unclear. Therefore, phenotype, root ultrastructure, cell wall components, proteomics, transcriptomics, and metabolomics were analyzed under the hydroponic system to investigate the Cd tolerance and accumulation mechanisms in the Cd-tolerant KB variety ‘Midnight (M)’ and the Cd-sensitive variety ‘Rugby II (R)’ under Cd stress. The M variety exhibited higher levels of hydroxyl and carboxyl groups as revealed by Fourier transform infrared spectroscopy spectral analysis. Additionally, a reduced abundance of polysaccharide degradation proteins was observed in the M variety. The higher abundance of glutathione S-transferase and content of L-cysteine-glutathione disulfide and oxidized glutathione in the M variety may contribute to better performance of the M variety under Cd stress. Additionally, the R variety had an enhanced content of carboxylic acids and derivatives, increasing the Cd translocation capacity. Collectively, the down-regulation of cell wall polysaccharide degradation genes coupled with the up-regulation of glutathione metabolism genes enhances the tolerance to Cd stress in KB. Additionally, lignification of the endodermis and the increase in carboxylic acids and derivatives play crucial roles in the redistribution of Cd in KB.