Evaluation Of Compounds Research Articles

Evaluation of chemical compounds as repellents of the brown marmorated stink bug (Halyomorpha halys [Stål

Evaluation of chemical compounds as repellents of the brown marmorated stink bug (Halyomorpha halys [Stål

Evaluation of Chemical Compounds in Local Garlic Genotypes from Southwestern Romania

Garlic (Allium sativum L.) is one of the most esteemed plants due to its medicinal properties. Its health benefits for humans are attributed to its chemical compounds. Few studies characterize garlic genotypes cultivated in Romania concerning their chemical composition. In this context, this study aimed to determine the chemical compounds for 16 local garlic genotypes cultivated under the same climatic and technological conditions. The chemical characteristics studied were the total phenolic content (TPC), total flavonoid content (TFC), reducing sugar content, antioxidant activity (AO), vitamin C, and acidity level. Chemical composition varied significantly among genotypes: TPC ranged from 656.07 to 1317.32 µg GAE/g FW; TFC ranged from 427.08 to 1447.90 µg QE/g FW; vitamin C ranged from 3.24 to 5.37 mg/g FW; reducing sugar content ranged from 3.24 to 5.37 mg/g FW; and the acidity level for the control was 6 meq/100 g. Among the selected genotypes, differences were observed between 3.48 and 11.02 meq/100 g. Significant correlations were noted between different compounds, specifically between TPC and AO, as well as between TPC and acidity level. In conclusion, this study highlights significant variability in terms of chemical composition of local garlic genotypes, which indicates notable differences between them and suggests that the genotypes may have different potential in medicinal and nutritional uses due to their distinctive chemical compositions.

Evaluation of chemical compounds in Plectranthus barbatus leaves extract for application in reduction of tannery wastewater toxicity

Plectranthus barbatus Andr. grows in Kenya, sub-Saharan Africa, Australia, Brazil and Asia and is one of the most important species of the Lamiaceae family. The plant is widely mentioned in traditional medicine in Africa and Asia. Some of the compounds previously isolated from the plant include diterpenoids, phenolic acids and essential oils. The objective of the study was to evaluate and determine the presence of chemical compounds in Plectranthus barbatus Andr. leaves extract of tannin nature that can be beneficial ingredients in processing clean leather and at the same time reduce environmental pollution. The Plant’s leaves were collected from Nyamira County then dried and ground to desired mesh before extraction was done with water and 80 % methanol in water. The methanolic solid extract that was recovered after freeze drying was subjected to column chromatography. The pure fractions were analyzed using Nuclear Magnetic Resonance spectroscopy and compared to those previously analyzed using High Pressure Liquid Chromatography. Some of the compounds isolated include phenolics e.g. Para-Hydroxybenzoic acid and Diterpenes. Water solid extract was used in pre-tanning and re-tanning applications followed by analysis of Biological Oxygen Demand, Chemical Oxygen Demand, pH and total chrome content of respective wastewaters. Tannery liquor from re-tanning and pre-tanning combinations with Plecranthus barbatus leaves extract showed reduced toxicity to the environment with pH of 7.97 and 2.96 respectively as compared to chrome tannage liquor that recorded a relatively more acidic pH of 2.30. Biological Oxygen Demand, Chemical Oxygen Demand and chrome content levels were 230.00 mg/l, 4520.00 mg/l and 9.69 ppm respectively for effluent from Plectranthus barbatus retannage against 320.10 mg/l, 2331.20 and 5.03 ppm respectively from pretannage of the same extract. Permissible limits for pH, Biological Oxygen Demand, Chemical Oxygen Demand and total chrome in discharged tannery wastewater are 5.5 – 10.0, 125 mg/l – 1000 mg/l, 300 mg/l – 3000 mg/l, and 1.0 ppm – 10.0 ppm respectively. Pretanning with Plectranthus barbatus leaves extract during leather processing was more effective is reduction of tannery wastewater toxicity although, the use of pretanning and retanning in a single tannage might yield more promising results.

Cleaning and microstructural effects of amyl acetate on pulp chamber dentin impregnated with epoxy resin-based endodontic sealer.

To evaluate the cleaning potential of 95% ethanol, acetone, and amyl acetate solutions used solely or in association, to remove epoxy resin-based sealer residues from pulp chamber dentin and their microstructural effects. One hundred and eighty bovine incisor specimens were divided into nine groups according to the cleaning protocol: ET (ethanol); AC (acetone); AA (amyl acetate); E1: AA+AC; E2: AA+ET; E3: AC+ET; E4: AA+AC+ET; PC (positive control), and NC (negative control). All groups were impregnated with epoxy resin-sealer, except NC. Ninety specimens were divided into groups (n=10) for evaluation of persistence of residues and amount of open dentinal tubules by SEM analysis and evaluation of chemical compounds on the dentin surface after cleaning with electron dispersive spectroscopy. The others 90 specimens were submitted to Knoop microhardness evaluation. Persistence of residues data were submitted to the Kruskal Wallis and Dunn tests (α=0.05). Open dentinal tubules and microhardness data were submitted to one-way ANOVA and Mann Whitney tests (α=0.05). AA and E4 protocols showed the lowest persistence of residues. E4 group had the highest incidence of open dentinal tubules. E3 and E4 groups showed no changes in the atomic ratio Ca/P, which was similar to NC group. E4 group did not present W, an element presents in all the other groups. ET and E4 protocols showed the smallest reduction in dentin microhardness. The combination of amyl acetate, acetone and ethanol is the most effective and safe protocol to remove epoxy sealer residues on pulp chamber dentin. Moreover, it has the lowest microhardness reduction. The combined use of amyl acetate, acetone, and ethanol enhanced the cleaning of pulp chamber dentin with minimal microstructural damage.

Evaluation of Chemical Compounds and Comparison of Antibacterial Activity of Essential Oil and Nanoemulsion Containing Essential Oil of Ziziphora clinopodioides L

Introduction: Medicinal plants have played a major role in the treatment of multiple diseases for centuries. Ziziphora clinopodioides is one of these plants with well-known antibacterial properties. The present study aimed to investigate the antibacterial effects of Z. Clinopodioides essential oil and nanoemulsion. Method: After preparing and collecting the plant in spring, the samples were dried in the shade and transferred to the laboratory. Thereafter, the essential oil was extracted by Clevenger. Gram-negative Escherichia coli and Gram-positive Staphylococcus aureus were used to determine antibacterial properties. Results: Pulegone had the highest composition (44.49%) of essential oil. Particle size in 5% nanoemulsion of Z. Clinopodioides essential oil was 13.0 nm. The results demonstrated that considering the diameter zone of the no-growth, there was no significant difference between 5% nanoemulsion and 5% Z. Clinopodioides essential oil in both gram-positive and gram-negative bacteria. Conclusion: Nanoemulsion containing essential oil showed no significant difference in antibacterial activity compared to essential oil

Identification of novel bioactive compounds from Olea europaea by evaluation of chemical compounds in the OliveNet™ library: in silico bioactivity and molecular modelling, and in vitro validation of hERG activity

BackgroundAs highlighted in the OliveNet™ library, Olea europaea consists of a diverse collection of chemical compounds. We have classified over 600 compounds into 13 main classes and 47 subclasses. Various compounds, including oleuropein and hydroxytyrosol, have been investigated for their potential beneficial effects in multiple human pathologies. However, the vast majority of compounds remain largely unexplored and approximately 50% are currently non-commercially available. MethodHere, we utilise conventional software to characterise the absorption, distribution, metabolism, excretion, and toxicity profile of OliveNet™ compounds. Molecular docking was performed for assessment of P-glycoprotein (P-gp) inhibition and interactions with the human ether-à-go-go-related gene (hERG) channel. Potential hERG ion channel inhibition was calibrated using in vitro patch clamp assays and steered molecular dynamics (SMD) simulations were used to examine membrane permeability of a subset of compounds. ResultsOur findings indicated that 313 out of 675 olive compounds were predicted to be absorbed by the gastrointestinal tract. Hydroxytyrosol required the least amount of force to pass through the lipid bilayer compared to elenolic acid diglucoside in SMD simulations. Based on the ADMET and molecular docking data, the hERG inhibitory activities of verbascoside, oleuropein, and hydroxytyrosol were investigated using patch clamp assays and they were identified as non-inhibitors. ConclusionsWhile the favourable properties of well-known compounds were confirmed, we identified oleuropein aglycone decarboxymethyl dialdehyde acetal form, decarboxymethyl elenolic acid dialdehyde, acetal of decarboxymethyl elenolic acid dialdehyde, methyl malate-β-hydroxytyrosol ester, hydroxytyrosil elenolate, D-(+)-erythro-1-(4-hydroxy-3-methoxy)-214-phenyl-1,2,3-propantriol, (+)-1-acetoxypinoresinol-4″-O-methyl ether, and 3-[1-(hydroxymethyl)-(E)-1-propenyl] glutaric acid as potential candidates for synthesis and further evaluation.

Multiphasic screening of priority chemical compounds in drinking water by process control and human health risk

BackgroundThe residual chemical pollutants in drinking water may cause adverse effects on human health. Chemical compounds potentially affecting human health have been widely explored, while the multiphasic evaluation of chemical compounds by process control and human health risk is still rarely reported. In the present study, we used multiphasic criteria to assess the health risk including effluent concentration, accumulation index, purification index for the removal efficiency during the drinking water treatment processes, carcinogen classification based on the International Agency for Research on Cancer standards, non-carcinogenic health hazards and carcinogenic risk.ResultsAmong the monitored chemicals, 47 and 44 chemical compounds were detected in raw water and treated water, respectively. The generation and removal of chemical compounds implied that the migration and transformation of chemicals during the purification processes affected the effluent concentration, posing a direct potential health risk. Of these compounds, 41 contaminants’ profiles were screened as priority chemical compounds (PCCs).ConclusionsThe top eight PCCs with high carcinogenic risk were highlighted. Some effective steps, such as protecting the raw water sources, improving the removal performance and reducing the disinfection by-products during the purification process by introducing advanced treatment technologies, were suggested to maintain drinking water security. Collectively, our findings provided novel scientific supports for the sustainable management of drinking water to promote human health.Graphical

Evaluation of chemical compounds that inhibit neurite outgrowth using GFP-labeled iPSC-derived human neurons

Due to the increasing number of drugs and untested environmental compounds introduced into commercial use, there is recognition for a need to develop reliable and efficient screening methods to identify compounds that may adversely impact the nervous system. One process that has been implicated in neurodevelopment is neurite outgrowth; the disruption of which can result in adverse outcomes that persist later in life. Here, we developed a green fluorescent protein (GFP) labeled neurite outgrowth assay in a high-content, high-throughput format using induced pluripotent stem cell (iPSC) derived human spinal motor neurons and cortical glutamatergic neurons. The assay was optimized for use in a 1536-well plate format. Then, we used this assay to screen a set of 84 unique compounds that have previously been screened in other neurite outgrowth assays. This library consists of known developmental neurotoxicants, environmental compounds with unknown toxicity, and negative controls. Neurons were cultured for 40 h and then treated with compounds at 11 concentrations ranging from 1.56 nM to 92 μM for 24 and 48 h. Effects of compounds on neurite outgrowth were evaluated by quantifying total neurite length, number of segments, and maximum neurite length per cell. Among the 84 tested compounds, neurite outgrowth in cortical neurons and motor neurons were selectively inhibited by 36 and 31 compounds, respectively. Colchicine, rotenone, and methyl mercuric (II) chloride inhibited neurite outgrowth in both cortical and motor neurons. It is interesting to note that some compounds like parathion and bisphenol AF had inhibitory effects on neurite outgrowth specifically in the cortical neurons, while other compounds, such as 2,2′,4,4′-tetrabromodiphenyl ether and caffeine, inhibited neurite outgrowth in motor neurons. The data gathered from these studies show that GFP-labeled iPSC-derived human neurons are a promising tool for identifying and prioritizing compounds with developmental neurotoxicity potential for further hazard characterization.

Toward the Identification of Extra-Oral TAS2R Agonists as Drug Agents for Muscle Relaxation Therapies via Bioinformatics-Aided Screening of Bitter Compounds in Traditional Chinese Medicine.

Significant advances have been made in the past decade in mapping the distributions and the physiological functions of extra-oral bitter taste receptors (TAS2Rs) in non-gustatory tissues. In particular, it has been found that TAS2Rs are expressed in various muscle tissues and activation of TAS2Rs can lead to muscle cell relaxation, which suggests that TAS2Rs may be important new targets in muscle relaxation therapy for various muscle-related diseases. So far, however, there is a lack of potent extra-oral TAS2R agonists that can be used as novel drug agents in muscle relaxation therapies. Interestingly, traditional Chinese medicine (TCM) often characterizes a drug’s property in terms of five distinct flavors (bitter, sweet, sour, salty, and pungent) according to its taste and function, and commonly regards “bitterness” as an intrinsic property of “good medicine.” In addition, many bitter flavored TCM are known in practice to cause muscle relaxation after long term use, and in lab experiments the compounds identified from some bitter flavored TCM do activate TAS2Rs and thus relax muscle cells. Therefore, it is highly possible to discover very useful extra-oral TAS2R agonists for muscle relaxation therapies among the abundant bitter compounds used in bitter flavored TCM. With this perspective, we reviewed in literature the distribution of TAS2Rs in different muscle systems with a focus on the map of bitter flavored TCM which can regulate muscle contractility and related functional chemical components. We also reviewed the recently established databases of TCM chemical components and the bioinformatics software which can be used for high-throughput screening and data mining of the chemical components associated with bitter flavored TCM. All together, we aim to present a knowledge-based approach and technological platform for identification or discovery of extra-oral TAS2R agonists that can be used as novel drug agents for muscle relaxation therapies through screening and evaluation of chemical compounds used in bitter flavored TCM.

A tiered cellular model for toxicological evaluation of chemical compounds

A tiered cellular model for toxicological evaluation of chemical compounds

Evaluation of chemical compounds for induction of male sterility in wheat (Triticum aestivum L.)

The short-list of eleven chemical hybridizing agents (CHAs) showing 98% or more induction of male sterility were identified following application at the pre-meiotic stage of wheat. Among ethyl oxanilates, 4-fluoro (CHA A1), 4-bromo (CHA A2), 4-trifluoromethyl (CHA A5), and 4-cyano (CHA A3) derivatives; and among pyridones, 4-chloro (CHA B3), 4-fluoro (CHA B1), 4-bromo (CHA B2), and 4-trifluoromethyl (CHA B6) derivatives were the most promising. These agents showed no adverse effects on plant growth and yield. Ethyl 4-fluoro oxanilate (CHA A1) was tested on 29 wheat genotypes at 1500ppm and induced 99.76± 0.37% male sterility. Ethyl 4-fluoro oxanilate residues were non-detectable in grain and husk and thus appeared to have no lasting residue effects.

Characterizing dose-response relationships in multiple cancer bioassays.

In the evaluation of chemical compounds for carcinogenic risk, regulatory agencies such as the U.S. Environmental Protection Agency and National Toxicology Program (NTP) have traditionally fit a dose-response model to data from rodent bioassays, and then used the fitted model to estimate a Virtually Safe Dose or the dose corresponding to a very small increase (usually 10(-6)) in risk over background. Much recent interest has been directed at incorporating additional scientific information regarding the properties of the specific chemical under investigation into the risk assessment process, including biological mechanisms of cancer induction, metabolic pathways, and chemical structure and activity. Despite the fact that regulatory agencies are currently poised to allow use of nonlinear dose-response models based on the concept of an underlying threshold for nongenotoxic chemicals, there have been few attempts to investigate the overall relationship between the shape of dose-response curves and mutagenicity. Using data from an historical database of NTP cancer bioassays, the authors conducted a repeated-measures Analysis of the estimated shape from fitting extended Weibull dose-response curves. It was concluded that genotoxic chemicals have dose-response curves that are closer to linear than those for nongenotoxic chemicals, though on average, both types of compounds have dose-response curves that are convex and the effect of genotoxicity is small.