Herbicidal activity of flavonoids of mango leaves against Parthenium hysterophorus L

This study was undertaken to investigate the herbicidal activity of mango (Mangifera indica L.) leaves against parthenium weed (Parthenium hysterophorus L.). The aqueous leaf extract at 15% concentration (on fresh weight basis) significantly reduced germination, shoot length and the shoot and root biomasses of parthenium seedlings. In a leaf residue incorporation pot trial, 2% residue incorporation treatment significantly suppressed the root and shoot biomasses of parthenium, while a 5% residue treatment completely stopped the growth of the weed. Five flavonoids, namely (-)-epicatechin-3-O-β-glucopyranoside (1), 5-hydroxy-3-(4-hydroxyphenyl)pyrano[3,2-g]chromene-4(8H)-one (2), 6-(p-hydroxybenzyl)taxifolin-7-O-β-D-glucoside (tricuspid) (3), quercetin-3-O-α-glucopyranosyl-(1 → 2)-β-D-glucopyranoside (4) and (-)-epicatechin(2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H chromene-3,5,7-triol (5) were isolated from mango leaves. In a laboratory bioassay, 50 ppm solution of compounds 3 and 4 caused yellowing of the parthenium seedlings. A 250 ppm solution of compound 4 also significantly reduced germination and the root and shoot lengths of parthenium seedlings. This study concludes that compound 4 exhibits herbicidal activity against parthenium weed.     

Chemical composition of Artemisia annua L. leaves and antioxidant potential of extracts as a function of extraction solvents

This study was conducted to investigate the chemical and nutritional composition of Artemisia annua leaves in addition to determination of antioxidant potential of their extracts prepared in different solvents. Chemical composition was determined by quantifying fat, protein, carbohydrate, fiber, tocopherol, phytate, and tannin contents. Extraction of A. annua leaves, for antioxidant potential evaluation, was carried out using five solvents of different polarities, i.e., hexane, chloroform, ethyl acetate, methanol and water. Antioxidant potential was evaluated by estimating total phenolic (TPC), flavonoid (TFC) contents, ferric reducing antioxidant power (FRAP), Trolox equivalent antioxidant capacity (TEAC), DPPH radical scavenging activity and lipid peroxidation. Efficiency of different solvents was compared for the yield of antioxidant extracts from leaf samples and a clear variation was observed. The highest TPC, TFC, TEAC, DPPH radical scavenging and lowest lipid peroxidation were observed in MeOH extracts, whereas aqueous extract exhibited high ferric reducing antioxidant power; suggesting MeOH to be the most favorable extractant.     

Bifurcation analysis and chaos control in a discrete‐time plant quality and larch budmoth interaction model with Ricker equation

We investigate the dynamics of two‐dimensional discrete‐time model of leaf quality and larch budmoth interaction with Ricker equation. More precisely, the qualitative behavior of larch budmoth model is discussed in which the effect of food source upon the moth population is through intrinsic growth rate. We find the parametric conditions for local asymptotic stability of the unique positive fixed point. It is also proved that under certain parametric conditions, the system undergoes period‐doubling bifurcation with the help of center manifold theory. The parametric conditions for existence and direction of Neimark‐Sacker bifurcation at positive fixed point is investigated with the help of standard mathematical techniques of bifurcation theory. The chaos control in the system is discussed through implementation of hybrid control methodology. Finally, numerical simulations are provided to illustrate theoretical results. These results of numerical simulations demonstrate chaotic long‐term behavior over a broad range of parameters. The computation of the maximum Lyapunov exponents confirms the presence of chaotic behavior in the system.     

Characterization and differentiation of iron ores using X-ray diffractometry,k0 instrumental neutron activation analysis and inductively coupled plasma optical emission spectrometry

This study was aimed at developing methodology for the characterization and differentiation of iron ores from different ore deposits. X-ray diffractometry (XRD) was used for the determination of major and minor chemical phases in the ores, k₀-instrumental neutron activation analysis (k₀-INAA) and inductively coupled plasma optical emission spectrometry (ICP-OES) were employed for the determination of elemental profiles of iron ores. The quality of the ores was evaluated to establish their suitability to serve as a raw material for iron production. Principal component analysis was performed on the elemental data for the classification of ores. It was also shown that ores can be differentiated on the basis of rare earth elemental profiles. In this paper a new indicator, based on four elements (Ca, S, Sb, Yb), was proposed for the classification.

     

Neimark–Sacker bifurcation and chaos control in discrete-time predator–prey model with parasites

In this paper, we discuss the qualitative behavior of a four-dimensional discrete-time predator–prey model with parasites. We investigate existence and uniqueness of positive steady state and find parametric conditions for local asymptotic stability of positive equilibrium point of given system. It is also proved that the system undergoes Neimark–Sacker bifurcation (NSB) at positive equilibrium point with the help of an explicit criterion for NSB. The system shows chaotic dynamics at increasing values of bifurcation parameter. Chaos control is also discussed through implementation of hybrid control strategy, which is based on feedback control methodology and parameter perturbation. Finally, numerical simulations are conducted to illustrate theoretical results.     

Synthesis of new chiral 1,3,4-thiadiazole-based di- and tri-arylsulfonamide residues and evaluation of in vitro anti-HIV activity and cytotoxicity

A series of new chiral 1,3,4-thiadiazole-based bis-sulfonamides 4a–4w and tri-sulfonamide analogue 5 was synthesized and evaluated as anti-HIV agents. The reaction of chiral amino acids 1 with sulfonyl chlorides 2, followed by subsequent reaction of resultant N-protected amino acids 2a–2f with thiosemicarbazide in the presence of excess phosphorous oxychloride afforded N-(1-(5-amino-1,3,4-thiadiazol-2-yl)alkyl)-4-arylsulfonamides 3a–3f. Treatment of 2a–2f with substituted sulfonyl chlorides in portions furnished the target bis-sulfonamide analogues 4a–4w in good yields, together with the unexpected 5. The new compounds were assayed against HIV-1 and HIV-2 in MT-4 cells. Compounds 4s were the most active in inhibiting HIV-1 with IC₅₀?=?9.5 μM (SI?=?6.6), suggesting to be a new lead in the development of an antiviral agent. Interestingly, compound 5 exhibited significant cytotoxicity of >?4.09 μM and could be a promising antiproliferative agent.     

Molecular Dynamic Simulation Search for Possible Amphiphilic Drug Discovery for Covid-19

To determine whether quaternary ammonium (k21) binds to Severe Acute Respiratory Syndrome–Coronavirus 2 (SARS-CoV-2) spike protein via computational molecular docking simulations, the crystal structure of the SARS-CoV-2 spike receptor-binding domain complexed with ACE-2 (PDB ID: 6LZG) was downloaded from RCSB PD and prepared using Schrodinger 2019-4. The entry of SARS-CoV-2 inside humans is through lung tissues with a pH of 7.38–7.42. A two-dimensional structure of k-21 was drawn using the 2D-sketcher of Maestro 12.2 and trimmed of C18 alkyl chains from all four arms with the assumption that the core moiety k-21 was without C18. The immunogenic potential of k21/QA was conducted using the C-ImmSim server for a position-specific scoring matrix analyzing the human host immune system response. Therapeutic probability was shown using prediction models with negative and positive control drugs. Negative scores show that the binding of a quaternary ammonium compound with the spike protein’s binding site is favorable. The drug molecule has a large Root Mean Square Deviation fluctuation due to the less complex geometry of the drug molecule, which is suggestive of a profound impact on the regular geometry of a viral protein. There is high concentration of Immunoglobulin M/Immunoglobulin G, which is concomitant of virus reduction. The proposed drug formulation based on quaternary ammonium to characterize affinity to the SARS-CoV-2 spike protein using simulation and computational immunological methods has shown promising findings.     

Bifurcation analysis and chaos control in a host‐parasitoid model

We investigate the qualitative behavior of a host‐parasitoid model with a strong Allee effect on the host. More precisely, we discuss the boundedness, existence and uniqueness of positive equilibrium, local asymptotic stability of positive equilibrium and existence of Neimark–Sacker bifurcation for the given system by using bifurcation theory. In order to control Neimark–Sacker bifurcation, we apply pole‐placement technique that is a modification of OGY method. Moreover, the hybrid control methodology is implemented in order to control Neimark–Sacker bifurcation. Numerical simulations are provided to illustrate theoretical discussion. Copyright © 2017 John Wiley & Sons, Ltd.     

Concentration-Dependent Multi-Potentiality of L-Arginine: Antimicrobial Effect,Hydroxyapatite Stability,and MMPs Inhibition

This study’s objective was to examine L-arginine (L-arg) supplementation’s effect on mono-species biofilm (Streptococcus mutans/Streptococcus sanguinis) growth and underlying enamel substrates. The experimental groups were 1%, 2%, and 4% arg, and 0.9% NaCl was used as the vehicle control. Sterilised enamel blocks were subjected to 7-day treatment with test solutions and S. mutans/S. sanguinis inoculum in BHI. Post-treatment, the treated biofilms stained for live/dead bacterial cells were analysed using confocal microscopy. The enamel specimens were analysed using X-ray diffraction crystallography (XRD), Raman spectroscopy (RS), and transmission electron microscopy (TEM). The molecular interactions between arg and MMP-2/MMP-9 were determined by computational molecular docking and MMP assays. With increasing arg concentrations, bacterial survival significantly decreased (p < 0.05). The XRD peak intensity with 1%/2% arg was significantly higher than with 4% arg and the control (p < 0.05). The bands associated with the mineral phase by RS were significantly accentuated in the 1%/2% arg specimens compared to in other groups (p < 0.05). The TEM analysis revealed that 4% arg exhibited an ill-defined shape of enamel crystals. Docking of arg molecules to MMPs appears feasible, with arg inhibiting MMP-2/MMP-9 (p < 0.05). L-arginine supplementation has an antimicrobial effect on mono-species biofilm. L-arginine treatment at lower (1%/2%) concentrations exhibits enamel hydroxyapatite stability, while the molecule has the potential to inhibit MMP-2/MMP-9.     

In Vivo and In Vitro Biological Evaluation and Molecular Docking Studies of Compounds Isolated from Micromeria biflora (Buch. Ham. ex D.Don) Benth

Micromeria biflora, a traditional medicinal plant, is extensively used for treating various painful conditions, such as nose bleeds, wounds, and sinusitis. A phytochemical investigation of the chloroform fraction of Micromeria biflora led to the isolation of salicylalazine. Salicylalazine was assessed in vivo for analgesia, muscle relaxation, sedative, and anti-inflammatory properties, as well as in vitro for COX-1/2 inhibition activities. It was assessed against a hot plate-induced model at different doses. The muscle relaxant potential of salicylalazine was evaluated in traction and inclined screening models, while sedative properties were determined using an open-field model. The anti-inflammatory potential of salicylalazine was assessed in histamine and carrageenan-induced paw edema screening models. Salicylalazine exhibited significant analgesic potential in a dose-dependent manner. In both screening models, an excellent time-dependent muscle-relaxation effect was observed. Salicylalazine demonstrated excellent sedation at high doses. Its anti-inflammatory activity was determined through the initial and late phases of edema. It exhibited anticancer potential against NCI-H226, HepG2, A498, and MDR2780AD cell lines. In vitro, salicylalazine showed preferential COX-2 inhibition (over COX-1) with an SI value of 4.85. It was less effective in the initial phase, while, in the later phase, it demonstrated significant effects at 15 and 20 mg/kg doses compared with the negative control. Salicylalazine did not exhibit cytotoxicity in the MTT assay, preliminarily indicating its safety.