Due to the uneven distribution of glycosidase enzyme expression across bacteria and fungi, glycoside derivatives of antimicrobial compounds provide prospective and promising antimicrobial materials. ...Therefore, herein, we report the synthesis and characterization of six novel methyl 4,6-
-benzylidene-α-d-glucopyranoside (MBG) derivatives (
-
). The structures were ascertained using spectroscopic techniques and elemental analyses. Antimicrobial tests (zone of inhibition, MIC and MBC) were carried out to determine their ability to inhibit the growth of different Gram-positive, Gram-negative bacteria and fungi. The highest antibacterial activity was recorded with compounds
,
,
and
. The compounds with the most significant antifungal efficacy were
,
,
and
. Based on the prediction of activity spectra for substances (PASS), compounds
and
have promising antimicrobial capacity. Molecular docking studies focused on fungal and bacterial proteins where derivatives
and
exhibited strong binding affinities. The molecular dynamics study revealed that the complexes formed by these derivatives with the proteins L,D-transpeptidase Ykud and endoglucanase from
remained stable, both over time and in physiological conditions. Structure-activity relationships, including in vitro and in silico results, revealed that the acyl chains lauroyl-(CH
(CH
)
CO-), cinnamoyl-(C
H
CH=CHCO-), in combination with sugar, were found to have the most potential against human and fungal pathogens. Synthetic, antimicrobial and pharmacokinetic studies revealed that MBG derivatives have good potential for antimicrobial activity, developing a therapeutic target for bacteria and fungi. Furthermore, the Petra/Osiris/Molinspiration (POM) study clearly indicated the presence of an important (O1
---O2
) antifungal pharmacophore site. This site can also be explored as a potential antiviral moiety.
DNA damage and oxidative stress in marine gastropod Morula granulata was measured after in vivo exposure to four different concentrations (10, 25, 50, and 100 μg/L) of phenanthrene. Comet assay was ...used for measurement of DNA damage, whereas oxidative stress was assessed using a battery of biomarkers such as glutathione-S-transferase (GST), catalase (CAT), and lipid peroxidation (LPO). Our data showed concentration-dependent increase in percentage DNA in tail (TDNA), LPO, and GST activity in gastropods exposed to phenanthrene. CAT activity in gastropods was not found to be consistent with the phenanthrene concentrations. Significant increase in TDNA was observed at all concentrations above 10 μg/L of phenanthrene. Positive correlations were observed among oxidative stress biomarker and TDNA. Integrated biomarker response (IBR) analysis showed that among the four biomarkers, LPO and DNA damage (TDNA) were the most sensitive in response to phenanthrene exposure. Our results clearly showed that phenanthrene is genotoxic to gastropods and also causes oxidative stress.
Hectd1 mutant mouse embryos exhibit the neural tube defect exencephaly associated with abnormal cranial mesenchyme. Cellular rearrangements in cranial mesenchyme are essential during neurulation for ...elevation of the neural folds. Here we investigate the molecular basis of the abnormal behavior of Hectd1 mutant cranial mesenchyme. We demonstrate that Hectd1 is a functional ubiquitin ligase and that one of its substrates is Hsp90, a chaperone protein with both intra- and extracellular clients. Extracellular Hsp90 enhances migration of multiple cell types. In mutant cranial mesenchyme cells, both secretion of Hsp90 and emigration of cells from cranial mesenchyme explants were enhanced. Importantly, we show that this enhanced emigration was highly dependent on the excess Hsp90 secreted from mutant cells. Together, our data set forth a model whereby increased secretion of Hsp90 in the cranial mesenchyme of Hectd1 mutants is responsible, at least in part, for the altered organization and behavior of these cells and provides a potential molecular mechanism underlying the neural tube defect.
Carbon-supported Pd100-x Mo x (0 ≤ x ≤ 40) nanoparticles have been synthesized by a simultaneous thermal decomposition of palladium acetylacetonate and molybdenum carbonyl in an organic solvent ...(o-xylene) in the presence of Vulcan XC-72R carbon, followed by heat treatment up to 900 °C in H2 atmosphere and characterized chemically and structurally. X-ray diffraction data reveal the formation of single-phase face-centered cubic solid solutions for 0 ≤ x ≤ 30 after heat treating at 900 °C and the occurrence of a Mo2C impurity phase for x = 40. The particle size of the Pd100-x Mo x samples increase with increasing heat treatment temperature as revealed by transmission electron microscopy. Cyclic voltammetry (CV) and rotating disk electrode (RDE) measurements reveal that the alloying of Pd with Mo enhances the catalytic activity for the oxygen reduction reaction (ORR) as well as the stability (durability) of the electrocatalyst. However, the activity reaches a maximum at Pd90Mo10 and then decreases with increasing Mo content. Similar observations are made in both single-cell proton-exchange membrane fuel cell (PEMFC) and direct methanol fuel cell (DMFC) for the ORR activity. Interestingly, the 900 °C Pd90Mo10 exhibits catalytic activity for ORR in DMFC at 80 °C similar to that of as-synthesized Pt despite a significantly larger particle size due to a high tolerance of Pd90Mo10 to methanol poisoning.
The interaction of amphetamine (AM) drug with a zinc oxide (Zn
12
O
12
) nanocage was studied based on the density functional theory (DFT) in a B3LYP/LANL2DZ level of theory. The adsorption energy of ...the AM drug on the Zn
12
O
12
surface was calculated to be about −14.09 kcal/mol, and this value confirmed the physical adsorption of the drug on the Zn
12
O
12
surface. Also, based on the natural bond orbital (NBO) analysis, charge transfer occurred from the drug to the nanocage, and the value of charge was calculated to be about −0.139 e. In addition, both molecular orbitals show that the LUMO and HOMO are mostly located on the surface of the Zn
12
O
12
nanocage. The mechanism of the sensors depends on the difference between the corresponding levels, which is also correlated with changes in electrical conductivity. The electrical conductivity of Zn
12
O
12
was increased about 31.30% after AM drug adsorption.
Distributed resource allocation is a very important and complex problem in emerging horizontal dynamic cloud federation (HDCF) platforms, where different cloud providers (CPs) collaborate dynamically ...to gain economies of scale and enlargements of their virtual machine (VM) infrastructure capabilities in order to meet consumer requirements. HDCF platforms differ from the existing vertical supply chain federation (VSCF) models in terms of establishing federation and dynamic pricing. There is a need to develop algorithms that can capture this complexity and easily solve distributed VM resource allocation problem in a HDCF platform. In this paper, we propose a cooperative game-theoretic solution that is mutually beneficial to the CPs. It is shown that in non-cooperative environment, the optimal aggregated benefit received by the CPs is not guaranteed. We study two utility maximizing cooperative resource allocation games in a HDCF environment. We use price-based resource allocation strategy and present both centralized and distributed algorithms to find optimal solutions to these games. Various simulations were carried out to verify the proposed algorithms. The simulation results demonstrate that the algorithms are effective, showing robust performance for resource allocation and requiring minimal computation time.
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