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Pakistan Journal of Pharmaceutical... May 2021The pandemic Coronavirus (Covid-19) is continuously growing and spreading at the highest rate in all over the world. So, it is necessary to produce the new medicinal...
The pandemic Coronavirus (Covid-19) is continuously growing and spreading at the highest rate in all over the world. So, it is necessary to produce the new medicinal agents against this virus. The aim of the present study is to design a potent compound against COVID-19. Based on 3C-like main protease and recently developed solved structure (PDB ID: 6Y2F), a series of remdesivir analogs are designed and analyzed by employing molecular modeling against the SARS-CoV-2 by insilico approach. The molecular dynamics (MD) simulation for 500ps was performed to check the stability and orientation to inside the binding pocket for analogs R3, R9, R14 and R15. The study results exhibit that compsound R9 has strong interaction or least binding energy (-10.04kcal/mol) as compare to the other analogues due to the presences of methyl bromide and it may be useful to further investigation in vitro testing against Covid-19.
Topics: Adenosine Monophosphate; Alanine; Antiviral Agents; Humans; Molecular Docking Simulation; Pandemics; Peptide Hydrolases; Protease Inhibitors; SARS-CoV-2; Viral Nonstructural Proteins; COVID-19 Drug Treatment
PubMed: 34602441
DOI: No ID Found -
Journal of Occupational Health Jan 2021In this study, we aimed to establish a method for quantifying bromide ions (Br ) in blood and urine using gas chromatograph-mass spectrometer (GC-MS) equipped with a...
OBJECTIVES
In this study, we aimed to establish a method for quantifying bromide ions (Br ) in blood and urine using gas chromatograph-mass spectrometer (GC-MS) equipped with a headspace sampler, for biological monitoring of workers exposed to methyl bromide.
METHODS
Samples were mixed with dimethyl sulfate, and Br ions were detected using GC-MS with a headspace sampler. The validity of the proposed method was evaluated based on most of the US FDA guidance. The values obtained were compared with reference values by analysis using Seronorm Trace Elements Whole Blood L-1 RUO.
RESULTS
The calibration curve showed good linearity in the Br concentration range of 0.1-20.0 mg/L, and the coefficient of determination R value was >.999. Intraday and interday accuracy values were 99.3%-103.1% and 97.4%-101.8%, respectively. The measured and reference values of Seronorm were concordant. Herein, eight urine and serum samples of workers were analyzed; the samples' Br concentrations were known. The correlation coefficients of urine and serum samples were 0.97 and 0.96, respectively, and results were consistent.
CONCLUSIONS
This study established a simple and rapid method for the determination of Br concentration in biological samples using GC-MS with a headspace sampler. Moreover, it can be used for biological monitoring of occupational exposure to methyl bromide and for the determination of Br concentration in a wide range of biological samples.
Topics: Biological Monitoring; Bromides; Gas Chromatography-Mass Spectrometry; Humans; Hydrocarbons, Brominated; Occupational Exposure; Reference Values; Reproducibility of Results
PubMed: 34587337
DOI: 10.1002/1348-9585.12274 -
International Journal of Clinical and... 2021This study aims to investigate the usefulness of the Melan-A and homatropine methyl bromide-45 (HMB-45) markers in identifying melanocytes and to evaluate cut-off values...
This study aims to investigate the usefulness of the Melan-A and homatropine methyl bromide-45 (HMB-45) markers in identifying melanocytes and to evaluate cut-off values for the diagnosis of vitiligo. We also aim to identify the role of remaining melanocytes when using HMB-45. We counted and confirmed melanocytes and melanin in the samples using a high-magnification microscope. The Melan-A, HMB-45, and Fontana-Masson staining methods were utilized. Descriptive statistical analysis of quantitative traits was performed. For the comparison of the two diagnostic tools, receiver operating characteristic curve and the area under the curve were evaluated. We found out that there was no significant difference observed between the two methods. The cut-off value is <27 for HMB-45 and <15 for Melan-A per 100 cells in the basal cell layer. Thus, HMB-45 is as useful as Melan-A in the diagnosis of vitiligo.
PubMed: 34527133
DOI: No ID Found -
International Journal of Molecular... Aug 2021Redox flow batteries (RFB) are one of the most interesting technologies in the field of energy storage, since they allow the decoupling of power and capacity....
Redox flow batteries (RFB) are one of the most interesting technologies in the field of energy storage, since they allow the decoupling of power and capacity. Zinc-bromine flow batteries (ZBFB) are a type of hybrid RFB, as the capacity depends on the effective area of the negative electrode (anode), on which metallic zinc is deposited during the charging process. Gaseous bromine is generated at the positive electrode (cathode) during the charging process, so the use of bromine complexing agents (BCA) is very important. These BCAs are quaternary amines capable of complexation with bromine and generating an organic phase, immiscible with the aqueous electrolyte. One of the most commonly used BCAs in RFB technology is 4-methylethylmorpholinium bromide (MEM-Br). In this work, an alternative quaternary amine 4-methylpropylmorpholinium bromide (MPM-Br) was studied. MPM-Br was integrated into the electrolyte, and 200 charge-discharge cycles were performed on the resulting ZBFBs. The obtained results were compared with those when MEM-Br was used, and it was observed that the electrolyte with MPM-Br displays a higher resistance in voltage and higher energy efficiency, making it a promising alternative to MEM-Br.
Topics: Bromides; Electric Power Supplies; Electrodes; Hydrocarbons, Brominated; Oxidation-Reduction; Zinc
PubMed: 34502193
DOI: 10.3390/ijms22179288 -
Journal of Economic Entomology Dec 2021Studies were conducted with ozone gas fumigation under vacuum as a methyl bromide alternative against life stages of coffee berry borer (CBB) Hypothenemus hampei...
Studies were conducted with ozone gas fumigation under vacuum as a methyl bromide alternative against life stages of coffee berry borer (CBB) Hypothenemus hampei (Ferrari) (Coleoptera: Curculionidae: Scolytinae), and the urediniospores of coffee leaf rust (CLR), Hemileia vastatrix Berkeley & Broome (Basidiomycota: Pucciniales) in green coffee, Coffea spp. L. Fumigation with 10,000 ppm O3 gas under -25.4 mm Hg vacuum1 at 13.0 ± 3.0°C for 6.0 h killed all CBB larvae, pupae, and adults, but did not kill all CBB eggs (~15% survival). Mortality of CLR urediniospores was 100% within the first hour of the 6-h fumigation. Ozone fumigation had no adverse effects on coffee quality. Results indicated that CBB adult hitchhikers may be the only target life stage of quarantine concern, and additional studies focused on this stage. CBB adult survival and reproduction decreased significantly at moisture contents ≤20%, and F1 generation survival did not occur in green coffee at moisture contents ≤15%. As the international standard for green coffee moisture content is 9-12%, adult CBB should not survive or reproduce in exported dry green coffee. Standard industry processing of harvested coffee cherries to the green coffee stage using either mechanical- or sun-drying eliminated CBB infestations from the field. A systems approach is recommended for exporting green coffee to control CBB and CLR that includes eliminating CBB life stages with standard processing methods, reducing moisture content to 9-12% to prevent egg deposition, survival or reproduction, and O3 fumigation to ensure quarantine security against potential CBB adult hitchhikers.
Topics: Animals; Basidiomycota; Coffea; Coffee; Fumigation; Hawaii; Ozone; Plant Diseases; Risk Assessment; Vacuum; Weevils
PubMed: 34447985
DOI: 10.1093/jee/toab165 -
Insects Aug 2021The fumigant pesticide methyl bromide (MB) was used for stored products, but it is now banned for most uses in many countries as an ozone-depleting substance. MB was the...
The fumigant pesticide methyl bromide (MB) was used for stored products, but it is now banned for most uses in many countries as an ozone-depleting substance. MB was the only pesticide used to manage the ham mite, , which is the most significant pest of dry cured hams. Effective alternatives to MB are needed to develop integrated pest management (IPM) programs for this pest. This study evaluated plant essential oils and food-safe compounds as repellents to directly protect hams from infestation. Experiments to assess the repellency to orientation, oviposition, and population growth of mites on pieces of aged country hams were conducted. Test compounds at different concentrations were dissolved in respective solvents and compared to the solvent control. Results showed that C8910, a mixture of three short-chain fatty acids, and the sesquiterpene ketone nootkatone had repellency indices of (RI) of 85.6% and 82.3%, respectively, at a concentration of 0.1 mg/cm, when applied to a Petri dish arena. DEET and icaridin were also tested but performed poorly with RIs below 70% even at 0.1 mg/cm.The monoterpene alcohol geraniol had the highest RI of 96.3% at 0.04 mg/cm. Ham pieces dipped in C8910 and nootkatone at 150 ppm each had RIs of 89.3% and 82.8%, respectively. In general, as the concentrations of test compounds increased, the numbers of eggs that were laid on these treated ham cubes decreased after the 48 h exposure time. Ham pieces dipped in different concentrations of test compounds and then inoculated with 20 adult mites showed a significant decrease in mite population growth compared to control pieces after 14 days. The results of these experiments suggest that some plant secondary metabolites and synthetic food-safe compounds could serve as potential alternatives for managing mites on hams.
PubMed: 34442277
DOI: 10.3390/insects12080711 -
Plant Disease Jan 2022Fresh-market tomatoes are produced on a raised-bed plasticulture system that relies heavily on soil-applied preplant fumigants for the management of soilborne pathogens,...
Fresh-market tomatoes are produced on a raised-bed plasticulture system that relies heavily on soil-applied preplant fumigants for the management of soilborne pathogens, nematodes, and weeds. Since the transition from methyl bromide to alternative fumigants, growers have experienced a resurgence of several soilborne pests and pathogens, including root-knot nematode caused by spp. and Fusarium wilt caused by f. sp. race 3. This resurgence is attributed to the inability of the alternative fumigants to effectively disperse through the soil in the same manner as methyl bromide. Two supplemental fumigation strategies, the application of chloropicrin (PIC) below bed edges (herein "supplemental PIC") and broadcast deep-shank applications of 1,3-dichloropropene (1,3-D), were evaluated in conjunction with standard raised-bed applications of Pic-Clor 60, Pic-Clor 80, and Pic 100 covered with a virtually impermeable film or a totally impermeable film. Large-plot replicated studies were conducted in two separate commercial tomato fields with a history of production losses caused by root-knot nematode and Fusarium wilt. Deep-shank 1,3-D applications significantly reduced the recovery of root-knot and total parasitic nematodes across field sites before the preparation of raised beds. Both supplemental PIC and deep-shank 1,3-D reduced root-knot galling and Fusarium wilt incidence, but the latter supplemental treatment statistically had the greatest impact. Fumigant applied within raised beds or plastic film had no significant effect on root-knot galling or Fusarium wilt. Although both supplemental fumigation strategies had a significant effect on pest and disease pressure, neither statistically improved tomato yields based on small subplot harvests. Controlled laboratory experiments confirmed the fungicidal activity of 1,3-D against f. sp. , with 75, 90, 95, and 99% lethal doses corresponding to estimated field application rates of 56.1, 93.5, 121.6, and 184.7 liters/ha, respectively. The results demonstrate how fumigant placement can improve pest and disease control activity with current fumigant alternatives to methyl bromide and further support the broader pesticidal activity of some chemical fumigants.
Topics: Animals; Florida; Fusarium; Solanum lycopersicum; Sand; Tylenchoidea
PubMed: 34420363
DOI: 10.1094/PDIS-03-21-0543-RE -
Environmental Monitoring and Assessment Aug 2021
PubMed: 34387752
DOI: 10.1007/s10661-021-09246-0 -
Environmental Science and Pollution... Jan 2022Methyl bromide has been banned worldwide because it causes damage to the ozone layer and the environment. To find a substitute for methyl bromide, the relationships...
Methyl bromide has been banned worldwide because it causes damage to the ozone layer and the environment. To find a substitute for methyl bromide, the relationships among fumigation, plant growth, and the microbial community in replant soil require further study. We performed pot and field experiments to investigate the effects of dazomet fumigation on soil properties and plant performance. Changes in soil microbial community structure and diversity were assessed using high-throughput sequencing, and plant physiological performance and soil physicochemical properties were also measured. Dazomet fumigation enhanced photosynthesis and promoted plant growth in replant soil; it altered soil physical and chemical properties and reduced soil enzyme activities, although these parameters gradually recovered over time. After dazomet fumigation, the dominant soil phyla changed, microbial diversity decreased significantly, the relative abundance of biocontrol bacteria such as Mortierella increased, and the relative abundance of pathogenic bacteria such as Fusarium decreased. Over the course of the experiment, the soil microbial flora changed dynamically, and soil enzyme activities and other physical and chemical properties also recovered to a certain extent. This result suggested that the effect of dazomet on soil microorganisms was temporary. However, fumigation also led to an increase in some resistant pathogens, such as Trichosporon, that affect soil function and health. Therefore, it is necessary to consider potential negative impacts of dazomet on the soil environment and to perform active environmental risk management in China.
Topics: Fumigation; Soil; Soil Microbiology; Thiadiazines
PubMed: 34382174
DOI: 10.1007/s11356-021-15401-4 -
Journal of Agricultural and Food... Aug 2021The environmental impact of methyl bromide (MB) has resulted in its phase out as an insecticidal fumigant except for critical use exempted categories. Consequently,...
The environmental impact of methyl bromide (MB) has resulted in its phase out as an insecticidal fumigant except for critical use exempted categories. Consequently, there is an urgent need to develop an environmentally sustainable MB alternative fumigant. -Cinnamaldehyde (TC), benzaldehyde, allyl isothiocyanate (AITC), hexanal, and ethyl formate (EF) are naturally occurring plant volatiles with insecticidal properties. This study assessed the toxicity of these plant volatiles to adult and egg stages of the spotted-wing drosophila (SWD) ( Matsumura). The plant volatile treatments had a significant effect on adult SWD mortality. The descending order of toxicity to adult SWD was benzaldehyde > AITC > TC > hexanal > EF at a headspace concentration of 0.50 μL/L air for 24 h. All the volatiles, at a concentration of 4.00 μL/L air, significantly inhibited larval emergence from SWD eggs in artificial diet compared to the control. At a 0.50 μL/L air level, among the volatiles tested, only AITC exhibited 100% inhibition against larval emergence from SWD eggs in blueberry fruits after 24 h exposure. In summary, this study shows that all volatiles tested elicited varying degrees of toxicity toward SWD adults and eggs. However, AITC was the most efficacious volatile and the one with the greatest promise as a post-harvest fumigant for both adult and egg stages of SWD.
Topics: Animals; Blueberry Plants; Drosophila; Fruit; Insect Control; Insecticides; Larva
PubMed: 34379409
DOI: 10.1021/acs.jafc.1c01384