Inhibitory Effect Research Articles

Spectroscopic Relationship between XOD and TAOZHI Total Polyphenols Based on Chemometrics and Molecular Docking Techniques

Xanthine oxidase (XOD) is a key enzyme that promotes the oxidation of xanthine/hypoxanthine to form uric acid, and the accumulation of uric acid leads to hyperuricaemia. The prevalence of gout caused by hyperuricaemia is increasing year by year. TAOZHI (TZ) can be used for the treatment of rheumatic arthralgia due to qi stagnation and blood stasis and contains a large number of polyphenolic components. The aim of this study was to investigate the relationship between chromatograms and XOD inhibition of 21 batches of TZ total polyphenol extract samples. Chemometric methods such as grey correlation analysis, bivariate correlation analysis, and partial least squares regression were used to identify the active ingredient groups in the total polyphenol extracts of TZ, which were validated using molecular docking techniques. The total polyphenol content contained in the 21 batches did not differ significantly, and all batches showed inhibitory effects on XOD. Spectroeffect correlation analysis showed that the inhibitory effect of TZ on XOD activity was the result of the synergistic effect of multiple components, and the active component groups screened to inhibit XOD were F2 (4-O-Caffeoylquinic acid), F4, and F10 (naringenin). The molecular docking results showed that the binding energies of all nine dockings were lower than −7.5 kcal/mol, and the binding modes included hydrogen bonding, hydrophobic forces, salt bridges, and π-staking, and the small molecules might exert their pharmacological effects by binding to XOD through the residue sites of the amino acids, such as threonine, arginine, and leucine. This study provides some theoretical basis for the development and utilisation of TZ total polyphenols.

Unraveling cereal physical barriers composed of cell walls and protein matrix: Insights from structural changes and starch digestion

Physical barriers composed of cell walls and protein matrix in cereals, as well as their cooking changes, play important roles in starch digestion. In this study, the physical barriers of native and cooked highland barley (HB), brown rice (BR), and oats (OA) kernels and their contribution to starch digestion were investigated. The resistant starch content was similar in cereal flours, but varied among cooked kernels (HB > BR > OA: 45.05 %, 10.30 %, and 24.71 %). The water adsorption, gelatinization enthalpy, and decrease in hardness of HB kernels were lower than those of OA and BR kernels. Microstructural observations of native kernels showed that HB had the thickest cell walls. After cooking, the lowest cell wall deformation and a dense continuous network developed from the protein matrix were observed in HB kernels. During digestion, undigested starch granules encapsulated by the stable cell walls and strong protein network were observed in HB kernels, but not in BR or OA kernels. Furthermore, the heavily milled HB kernels still had more resistant starch than the intact OA and BR kernels. Therefore, the physical barriers of HB kernels exhibited stronger inhibition of starch gelatinization and digestion. Differences in cereal physical barriers led to various inhibitory effects.

The Impact of Financing Structure on Innovation: Empirical Evidence from Chinese Firms

Selecting an appropriate financing structure is vital to support corporate R&D activities, which is crucial for firms competitive advantages. So how does financing structure affect innovation? This paper investigates the impact of external financing ratios on corporate R&D. The study finds that a high proportion of external financing suppresses R&D investment. Internal financing and equity financing significantly promote corporate R&D investment, whereas debt financing and government subsidies have a notable inhibitory effect. The presence of equity concentration and financing constraints weakens the suppressive impact of external financing on R&D investment. The inhibitory effect of external financing on R&D intensity is more pronounced in state-owned, small-scale, and traditional enterprises. This paper delves into the optimal financing structure for corporate innovation, providing new perspectives on the relationship between financing structures and corporate R&D, and offering empirical evidence to support the improvement of the equity financing market in the country.

Complement system activation: bridging physiology, pathophysiology, and therapy.

The complement system is a set of over 50 proteins that constitutes an essential part of the innate immune system. Complement system activation involves an organized proteolytic cascade. Overactivation of complement system activation is the main pathogenic mechanism of several diseases and contributes to the manifestations of many other conditions. This review describes the normal complement system and the role for complement dysregulation in critical illnesses, notably sepsis and acute respiratory distress syndrome. Complement activation is involved in the immune system response to pathogens but, when excessive, can contribute to tissue damage, runaway inflammation, and capillary leakage syndrome. Complement overactivation may play a key role in severe forms of coronavirus disease 2019 (COVID-19). Two diseases whose manifestations are mainly caused by complement overactivation, namely, atypical hemolytic and uremic syndrome (aHUS) and myasthenia gravis, are discussed. A diagnostic algorithm for aHUS is provided. Early complement-inhibiting therapy has been proven effective. When renal transplantation is required, complement-inhibiting drugs can be used prophylactically to prevent aHUS recurrence. Similarly, acetylcholine-receptor autoantibody-positive generalized myasthenia gravis involves complement system overactivation and responds to complement inhibition. The two main complement inhibitors used in to date routine are eculizumab and ravulizumab. The main adverse event is Neisseria infection, which is rare and preventable, but can be fatal. The complement system is crucial to health but, when overactivated, can cause or contribute to disease. Effective complement inhibitors are now available, although additional data are required to determine optimal regimens. Further research is also needed to better understand the complement system, develop advanced diagnostic tools, and identify markers that allow the personalization of treatment strategies.

GLIDR-mediated regulation of tumor malignancy and cisplatin resistance in non-small cell lung cancer via the miR-342-5p/PPARGC1A axis

BackgroundLung cancer, particularly non-small cell lung cancer (NSCLC), remains a significant cause of cancer-related mortality, with drug resistance posing a substantial obstacle to effective therapy. LncRNAs have emerged as pivotal regulators of NSCLC progression, suggesting potential targets for cancer diagnosis and treatment. Therefore, identifying new lncRNAs as therapeutic targets and comprehending their underlying regulatory mechanisms are crucial for treating NSCLC.Materials and methodsRNA-sequencing data from 149 lung adenocarcinoma (LUAD) patients, including 130 responders and 19 nonresponders to primary treatment, were analyzed to identify the most effective lncRNAs. The effects and regulatory pathways of the selected lncRNAs on NSCLC and cisplatin resistance were investigated.ResultsGlioblastoma-downregulated RNA (GLIDR) was the most effective lncRNA in nonresponsive NSCLC patients undergoing primary treatment, and it was highly expressed in NSCLC patients and those with cisplatin-resistant NSCLC. Reducing GLIDR expression enhanced cisplatin sensitivity in resistant NSCLC and decreased the malignant characteristics of NSCLC. Moreover, bioinformatic analysis and luciferase assays revealed that microRNA-342-5p (miR-342-5p) directly targets GLIDR. MiR-342-5p overexpression inhibited NSCLC cell proliferation, migration, and invasion, whereas miR-342-5p inhibition promoted NSCLC malignancy, which was rescued by suppressing GLIDR. Peroxisome proliferator-activated receptor-gamma coactivator-1alpha (PPARGC1A) was identified as a downstream target of miR-342-5p. PPARGC1A inhibition increased cisplatin sensitivity in resistant NSCLC. Moreover, PPARGC1A inhibition suppresses NSCLC malignancy, whereas PPARGC1A overexpression promoted it. Furthermore, GLIDR overexpression was found to counteract the inhibitory effects of miR-342-5p on PPARGC1A, and increased PPARGC1A expression reversed the inhibition of NSCLC malignancies caused by decreased GLIDR.ConclusionsGLIDR is a prognostic marker for cisplatin treatment in NSCLC and a therapeutic target in cisplatin-resistant NSCLC. GLIDR promotes NSCLC progression by sponging miR-342-5p to regulate PPARGC1A expression and regulates cisplatin resistance through the miR-342-5p/PPARGC1A axis, underscoring its potential as a therapeutic target in cisplatin-resistant NSCLC.

NFS1 inhibits ferroptosis in gastric cancer by regulating the STAT3 pathway.

Cysteine desulfurase (NFS1) is highly expressed in a variety of tumors, which is closely related to ferroptosis of tumor cells and affects prognosis. The relationship between NFS1 and the development of gastric cancer (GC) remains unknown. Here we showed that NFS1 expression was significantly higher in GC tissues compared to adjacent normal tissues. Patients with high expression of NFS1 in GC tissues had a lower overall survival rate than those with low expression. NFS1 was highly expressed in cultured GC cells compared to normal gastric cells. Knockdown of NFS1 expression reduced the viability, migration and invasion of GC cells. In cultured GC cells, NFS1 deficiency promoted ferroptosis. Mechanistically, NFS1 inhibited ferroptosis by upregulating the signal transduction and activator of transcription 3 (STAT3) signaling pathway in cultured GC cells. NFS1 knockdown using siRNA inhibited the STAT3 pathway, reduced the expression of glutathione peroxidase 4 (GPX4) and solute carrier family 7 member 11 (SLC7A11), and elevated intracellular levels of reactive oxygen species (ROS), ferrous ion (Fe2+), and malondialdehyde (MDA) in cultured GC cells. A specific STAT3 activator significantly reversed the inhibitory effect of NFS1 deficiency on ferroptosis in cultured GC cells. These in vitro results were further confirmed by experiments in vivo using a mouse xenograft tumor model. Collectively, THESE RESULTS INDICATE THAT NFS1 is overexpressed in human GC tissues and correlated with prognosis. NFS1 inhibits ferroptosis by activating the STAT3 pathway in GC cells. These results suggest that NFS1 may be a potential prognostic biomarker and therapeutic target to treat GC.

Allelopathic potential of invasive alien plant species, Xanthium strumarium L., water and methanol extracts on germination and seedling growth of Guizotia abyssinica (L.f.) Cass., and Linum usitatissimum L.

The objective of this study was to investigate the allelopathic impact of Xanthium strumarium on the seedling growth and germination of Guizotia abyssinica and Linum usitatissimum. Plant specimens and samples of Xanthium strumarium were collected from the Minjar-Shenkora district in Ethiopia. In the laboratory, a series of dilutions of extracts from the leaves and roots of Xanthium strumarium were prepared using distilled water and methanol (99.85%) as solvents. Twenty-five grams of root and leaf samples were soaked separately in 250 mL of the specified solvent to create the stock solution. The experiment was carried out using Petri dishes in a completely random manner, with three replications repeated twice. Various concentrations of the extracts (25, 50, 75, and 100%) were applied as treatments, while distilled water served as the control. Each petri dish contained 25 seeds of each test crop and 5 mL of the corresponding extract. The number of Linum usitatissimum and Guizotia abyssinica seeds germinating was recorded every 24 hours until 12 and 14 days, respectively. Both descriptive and inferential analyses were conducted. When Guizotia abyssinica and Linum usitatissimum seeds were treated with 100% concentrations of water extract from leaf samples, germination percentages were inhibited by 72 and 77.4%, respectively. In methanol extracts, the entire inhibition of germination was observed in both test plant species at ≥ 50% and ≥ 75% concentrations of leaf and root samples, respectively. Therefore, the inhibitory effect of water and methanol extracts showed a concentration-dependent pattern, with increasing concentrations resulting in greater inhibition. The inhibitory effect of leaf extracts was more pronounced compared to root extracts, suggesting the presence of herbicidal activities. Further phytochemical and molecular studies are recommended to identify the active compounds in Xanthium strumarium. Additionally, utilizing isolated allelopathic substances as a means of controlling invasive alien species is suggested.

A new brown rot disease of plum caused by Mucor xinjiangensis sp. nov. and screening of its chemical control

A novel species of Mucor was identified as the causal agent of a brown rot of Prunus domestica (European plum), widely grown in the south of Xinjiang, China. This disease first appears as red spots after the onset of the fruits. With favorable environmental conditions, fruit with infected spots turn brown, sag, expand, wrinkle, and harden, resulting in fruit falling. Fungal species were isolated from infected fruits. A phylogenetic analysis based on internal transcribed spacer (ITS) regions and the large subunit (LSU) of the nuclear ribosomal RNA (rRNA) gene regions strongly supported that these isolates made a distinct evolutionary lineage in Mucor (Mucoromycetes, Mucoraceae) that represents a new taxonomic species, herein named as Mucor xinjiangensis. Microscopic characters confirmed that these strains were morphologically distinct from known Mucor species. The pathogenicity of M. xinjiangensis was confirmed by attaching an agar disk containing mycelium on fruits and re-isolation of the pathogen from symptomatic tissues. Later, fourteen fungicides were selected to determine the inhibitory effect on the pathogen. Further, results showed that difenoconazole had the best effect on the pathogen and the strongest toxicity with the smallest half maximal effective concentration (EC50) value, followed by a compound fungicide composed of difenoconazole with azoxystrobin, mancozeb, prochloraz with iprodione, pyraclostrobin with tebuconazole, and trifloxystrobin with tebuconazole and ethhylicin. Present study provides the basis for the prevention and control of the novel plum disease and its pathogen.

Effects of double neonatal stress on female rat sexual behaviour

Neonatal stress affects psychological and physiological development and may be associated with affective disorders. The aim was to examine the effects of double neonatal stress (DNS) – a combination of limited bedding and nesting (LBN) and repeated maternal separation (MS) – on the oestrous cycle and sexual behaviour of adult female rats. LBN was achieved by removing part of the wood shavings from the boxes. In the control group, each box was lined with 100 g of wood shavings, while in the experimental group there were only 10 g of wood shavings. MS was performed from P1 (P0 = day of birth) to P15. At P90, the sexual response of females in oestrus was evaluated. Statistical analysis was performed using two-way analysis of variance followed by Tukey's test. The size and profile of the oestrous cycle and the sexual behaviour of female rats submitted to the DNS were considered, as well as the influence of female behaviour on the sexual response of male rats. Female rats submitted to DNS showed a reduction in the lordosis quotient, suggesting a reduction in female receptivity. These rats also showed a reduction in the number of hops and darts, the number of ear wiggles, and the genital exploration time rate, suggesting a reduction in proceptivity. The males that interacted with the females of the DNS group showed a reduction in intromission ratio. Experimental model that mimics neonatal factors that affect adult female sexual response will allow more effective interventions to prevent and treat such changes. In addition, analysis of the female sexual response makes it possible to assess the general state of health and quality of life. In female rats, DNS exerted inhibitory effects on sexual behaviour. LBN was probably the most important factor. In conclusion, combating childhood poverty can be a key measure to prevent problems in the sex life of adults and improve overall health.

Spatial heterogeneity analysis of biased land resource supply policies on housing prices and innovation efficiency

To rationally allocate land resources, the government has formulated biased land resource supply policies. However, this policy will promote the fluctuation of regional housing prices, thereby affecting regional innovation efficiency. To elucidate the intrinsic logical relationship among these factors, this study investigates the influence of biased land resource supply policies on housing prices and innovation across 31 Chinese provinces over a 16-year period. It places particular emphasis on probing into the spatial disparities in this impact. The innovation of this paper lies in the development of a theoretical analysis model, which creatively utilizes the regional land supply status as an instrumental variable to address the endogeneity problem. At the same time, a double robustness test was conducted by substituting the explanatory variables and employing the fixed effects model. The results of the TSLS regression indicate: (1) The land resource supply policy, which prioritizes the central and western regions, has resulted in an increase in housing prices across the majority of regions in China, with the eastern region experiencing a more rapid rise compared to the central and western regions. (2) The accelerated growth of housing prices in the eastern region is likely to exert a more pronounced inhibitory effect on innovation compared to the central and western regions. In summary, China’s land resource supply policy, which favors the central and western regions, has exacerbated the rise in housing prices in the eastern region, and rising housing prices will inhibit the innovation efficiency of the region. Hence, it is imperative for the government to continuously optimize and adjust land resource supply policies, ensuring their alignment with population migration patterns, stabilizing the real estate market, while also considering the innovation efficiency of regional development.

Mitigation of almond leaf scorch by a peptide that inhibits the motility of Xylella fastidiosa.

Xylella fastidiosa is a xylem-limited plant pathogenic bacterium that is a menace to the agriculture worldwide threating economically relevant crops such as almond. The pathogen presents a dual lifestyle in the plant xylem, consisting of sessile microbial aggregates and mobile independent cells that move by twitching motility. The latter is essential for the systemic colonization of the host and is mediated through type IV pili. In previous reports, it has been demonstrated that peptides can affect different key processes of X. fastidiosa, but their effect on motility has never been assessed. In the present work, peptides previously identified and newly designed analogs were studied for its effect in vitro on the motility of X. fastidiosa and their protective effect against almond leaf scorch was determined. By assessing the twitching fringe width in colonies and using microfluidic chambers, the inhibitory effect of BP100 on twitching motility was demonstrated. Interestingly, type IV pili of BP100-treated cells were similar in frequency and length, and presented no morphological differences when compared to the non-treated control. The application of BP100 by endotherapy in almond plants inoculated with X. fastidiosa under greenhouse conditions significantly reduced population levels and showed less affected xylem vessels, which correlated with decreased disease symptoms. Therefore, BP100 is a promising candidate to manage almond leaf scorch caused by X. fastidiosa.

Polysorbate stability: Effects of packaging materials, buffers, counterions, and pH

Polysorbates, widely used excipients in drug formulations, present a stability challenge due to complex degradation processes. This study investigates the hydrolysis of polysorbate (PS) under temperature stress (50 °C), focusing on the impact of primary packaging materials (glass vs. plastic vials), buffers (histidine and acetic acid), counterions (chloride vs. malate), and pH (4–7). Our findings reveal that leachables from plastic vials inhibit PS degradation in both histidine and acetic acid buffers. Kinetic parameters derived from sigmoidal fitting suggest distinct degradation mechanisms for each buffer. Furthermore, the malate counterion with histidine displays inhibitory effects on PS hydrolysis. Principal component analysis was employed to identify key factors. These results highlight the critical role of excipients and packaging in PS stability, providing valuable insights for biopharmaceutical formulation development and a deeper understanding of PS degradation complexities.

Combined antimicrobial activity of short peptide and phage-derived endolysin against antibiotic-resistant Salmonella Typhimurium

This study was designed to evaluate the combination effects of antimicrobial peptides (FK13 and FK16) and phage-encoded endolysin (LysPB32) on the inhibition of growth of polymyxin B-resistant Salmonella Typhimurium ATCC 19585 (STPMB). The inhibitory effects of FK13, FK16, and LysPB32 against STPMB were evaluated by using antimicrobial susceptibility, membrane permeability, biofilm reduction, cross-resistance, and mutant frequency assay. The minimum inhibitory concentrations (MICs) of FK13 and FK16 treated with LysPB32 (FK13+LysPB32 and FK16+LysPB32) against STPMB were decreased from more than 512 to 128 μg/ml and from 64 to 32 μg/ml, respectively. Compared to the control, the number of STPMB in the growing culture was reduced by 4.2 and 5.2 log CFU/ml, respectively, for FK13+LysPB32 and FK16+LysPB32 after 12-h incubation at 37 °C. All treatments (FK13, FK16, FK13+LysPB32, FK16+LysPB32) significantly increased the permeability of the outer membrane of STPMB. Biofilms were significantly decreased from OD600 of 0.6 to 0.16 for FK13+LysPB32 and from 0.6 to 0.13 for FK16+LysPB32. The ratios of MICs of erythromycin, ceftriaxone, polymyxin B, and ciprofloxacin to MIC of the control against STPMB were decreased to 0.50 for FK13+LysPB32 and FK16+LysPB32. The bactericidal activities of amikacin and gentamicin were enhanced for FK13+LysPB32 and FK16+LysPB32 (2-fold < MBC/MIC ratio). The mutant frequencies of STPMB to antibiotics were decreased when treated with FK13+LysPB32 and FK16+LysPB32. The results suggest that the combination of antimicrobial peptides and endolysins can be a promising strategy to control polymyxin B-resistant S. Typhimurium.

Metabolomics and proteomics reveal the inhibitory effect of Lactobacillus crispatus on cervical cancer

Cervical cancer remains a significant global health issue due to its high morbidity and mortality rates. Recently, Lactobacillus crispatus has been recognized for its crucial role in maintaining cervical health. While some studies have explored the use of L. crispatus to mitigate cervical cancer, the underlying mechanisms remain largely unknown. In this study, we employed non-targeted proteomics and metabolomics to investigate how L. crispatus affects the growth of cervical cancer cells (SiHa) and normal cervical cells (Ect1/E6E7). Our findings indicated that the inhibitory effect of L. crispatus on SiHa cells was associated with various biological processes, notably the ferroptosis pathway. Specifically, L. crispatus was found to regulate the expression of proteins such as HMOX1, SLC39A14, VDAC2, ACSL4, and LPCAT3 by SiHa cells, which are closely related to ferroptosis. Additionally, it activated the tricarboxylic acid (TCA) cycle in SiHa cells, leading to increased levels of reactive oxygen species (ROS) and lipid peroxides (LPO). These results revealed the therapeutic potential of L. crispatus in targeting the ferroptosis pathway for cervical cancer treatment, opening new avenues for research and therapy in cervical cancer.

In Vitro Interaction of Binuclear Copper Complexes with Liver Drug-Metabolizing Cytochromes P450

Two copper(II) mixed ligand complexes with dicarboxylate bridges were prepared and studied, namely [Cu2(μ-fu)(pmdien)2(H2O)2](ClO4)2 (complex No. 5) and [Cu2(μ-dtdp)(pmdien)2(H2O)2](ClO4)2 (complex No. 6), where H2fu = fumaric acid, pmdien = N,N,N′,N″,N″ pentamethyldiethylenetriamine, and H2dtdp = 3,3′-dithiodipropionic acid. The copper atoms are coordinated in the same mode by the tridentate pmdien ligand and oxygen of water molecules, and they only differ in the dicarboxylate bridge. This work is focused on the study of the inhibitory effect of these potential antimicrobial drugs on the activity of the most important human liver drug-metabolizing enzymes, cytochromes P450 (CYP), especially their forms CYP2C8, CYP2C19, and CYP3A4. The obtained results allow us to estimate the probability of potential drug interactions with simultaneously administrated drugs that are metabolized by these CYP enzymes. In conclusion, the presence of adverse effects due to drug–drug interactions with concomitantly used drugs cannot be excluded, and hence, topical application may be recommended as a relatively safe approach.

LINC00461 promotes bladder cancer cells EMT through miR-518b/HNRNPUL1 axis

Bladder cancer (BC) is a prevalent type of tumor in the urinary system, and it has been discovered that long non‐coding RNA (lncRNA) plays a significant role in its occurrence and development. However, thus far, no reports have been published on the involvement of LINC00461 in BC. Here, we found that LINC00461 levels were upregulated in BC tissues and cell lines. Besides, knockdown of LINC00461 inhibited BC cell proliferation, migration, invasion through epithelial-mesenchymal transition (EMT), and slowed down tumor growth in vivo. Moreover, we found that LINC00461 regulated HNRNPUL1 expression through miR-518b sponge activity, and the miR-518 inhibitor could reverse the inhibitory effects of LINC00461 knockdown on BC cell proliferation, migration, and EMT. Our results suggest that LINC00461 may serve as a potential biomarker and therapeutic target for BC.

Synergy of Histone Acetyltransferase Inhibitor (HATi) with Quercetin Inhibits Biofilm Formation in Candida tropicalis.

Histone acetyltransferase inhibitors (HATi) are mechanism-based inhibitors that show promise in the treatment of several illnesses, including diabetes, hyperlipidemia, cancer, and Alzheimer's disease. The work emphasizes the significance of HATi as a possible treatment strategy against Candida species biofilms. Here, in this study, we found that combining a HATi, anacardic acid, and quercetin, a known flavonoid, significantly prevented biofilm formation by C. tropicalis. We further show that C. tropicalis exhibited a considerable downregulation of drug-resistance gene expression (CDR1 and MDR1) when co-administrated. Additionally, in silico studies revealed that the anacardic acid (AA) interacts strongly with a histone acetyltransferase, Rtt109, which may account for the observed biofilm inhibitory effect. In conclusion, the study illustrates how HATi may be used to potentiate the inhibitory action of phytoactives or antifungals against drug-resistant yeast infections.

Management of infections for patient treated with ibrutinib in clinical practice

Ibrutinib, a highly effective inhibitor of the Bruton tyrosine kinase, has significantly transformed the therapeutic approach in chronic lymphocytic leukemia (CLL). Despite these advancements, the disease continues to be characterized by immune dysfunction and increased susceptibility to infections, with mortality rates from infections showing no significant improvement over the past few decades. Therefore, timely prevention, recognition, and treatment of infections remains an important aspect of the standard management of a patient with CLL. A panel of hematologists with expertise in CLL met to discuss existing literature and clinical insights for the management of infectious in CLL undergoing ibrutinib treatment. Despite not being a fully comprehensive review on the topic, this work provides a set of practical recommendations that can serve as a guide to healthcare professionals who manage these patients in their daily clinical practice.

Allelopathic effects of Borreria latifolia on weed germination and identification of allelochemicals.

Borreria latifolia (Aubl.) K. Schum (Rubiaceae) is an annual weed with a strong allelopathic inhibitory effect on malignant weeds in orchards in southern China. This study was carried out to investigate its allelopathic potential and to identify allelochemicals present in B. latifolia. Aqueous extracts of B. latifolia inhibited the germination and radicle growth of Eleusine indica and the radicle growth of Bidens alba in a dose-dependent manner. However, only the high-concentration treatment at 50 mg mL-1 delayed the germination of B. alba and Digitaria sanguinalis. Among the root, stem, and leaf aqueous extracts of B. latifolia, the leaf extract had the strongest inhibitory effects on the germination and seedling growth of E. indica, followed by stem extract and then root extract. A total of 47 published allelochemicals, including coumarin, 4-hydroxybenzoate, salicylic acid, 4-hydroxycinnamic acid, and vanillic acid, were identified in the leaf extract. Among the five allelochemicals, coumarin was found to be present in the highest concentration in the leaf extract. Furthermore, coumarin exhibited a significantly greater inhibitory effect on E. indica (EC50 = 36.87 mg L-1) than did the other allelochemicals (EC50 = 100.87-156.30 mg L-1). This study indicates that the leaf extracts of B. latifolia and their allelochemicals have excellent potential as bioherbicides and that coumarin is one of the key allelochemicals in B. latifolia. © 2024 Society of Chemical Industry.

Assessment of Warionia saharea Essential Oil as a Green Corrosion Inhibitor for Mild Steel in HCl: Experimental and Computational Studies

The objective of this research work is the study of the inhibitory effect of Warionia saharea essential oil (WSEO) on the corrosion of mild steel (MS) in molar HCl solution, employing both experimental and theoretical methods. This inhibitory effect (IE) has been evaluated by using a combination of weight loss measurements (LW) and various electrochemical methods, such as open circuit potential (OCP), potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) experiments. The LW results indicated that IE increased with inhibitor concentration, reaching 83.34% at 3.00 g/L. The PDP analysis suggested that WSEO functions as a mixed inhibitor, while in the EIS results the Rct values increased with inhibitor concentration to reach 165.8 Ω cm2 at 2.00 g/L, suggesting a defensive film formation by WSEO molecules over the metallic surface. The thermodynamic study demonstrated that the WSEO molecules adsorption on the MS surface followed a Langmuir isotherm, involving mixed physical and chemical (physicochemical) adsorption on the MS surface. Theoretical methods, including density functional theory (DFT) and molecular dynamics (MD) simulations, were employed to elucidate the inhibition mechanisms of the three main components of WSEO. The quantum chemical analysis, using density functional theory (DFT) and molecular dynamics (MD) simulations, showed a low ΔEgap value of 6.30 eV and a low adsorption energy (Eads) value on an Fe (110) substrate of −258 Kcal/mol for (E)-Nerolidol, indicating the significant contribution of this molecule to the overall corrosion inhibition effect of WSEO. The scanning electron microscope (SEM) analysis verified the presence of a protective film formed by the inhibitor on the MS surface. This study highlights the potential of WSEO as a sustainable and green corrosion inhibitor in acidic environments.