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71.
6-Nitrobenzo[a]pyrene (6-NBaP) occurs in the environment, is mutagenic in the Ames assay in the presence of added S9 and is carcinogenic to male but not female mouse liver when injected intraperitoneally (i.p.) into mice. In order to understand what kinds of active metabolites could have been produced in vivo, both male and female mice were injected i.p. with 6-NBaP in dimethyl sulfoxide. Twenty-four hours after injection, urine, feces, blood, liver and spleen (non-target tissue) were examined for metabolites by chromatographic and high-resolution mass spectral means. On the basis of the mass spectral fragmentation patterns of synthetic and metabolic standards, it was observed that both male and female animals excreted ring-hydroxylated metabolites of 6-NBaP in the urine to differing extents. Male animals additionally excreted 6-aminobenzo[a]pyrene and the significance of this observation is discussed. 相似文献
72.
This paper is concerned with an experimental investigation of a comparison of the rheological performance of an ER fluid, consisting of a carrier with a range of solid phase sizes, in oscillatory squeeze-flow under DC conditions. The fluid is sandwiched between two parallel plane electrodes, the upper one stationary and the lower one oscillating normal to its plane. It is seen that the dynamic performance of the fluid, in terms of the capacity for the transmission of imposed forces across the fluid, is highly dependent on the size of the dispersed solid phase and has an optimum value which is dependent on the mean value of the interelectrode gap. In addition the paper includes some measurements of the current through the fluid which may help to shed some further light on the mechanism of the ER effect. Finally the implications of the results to vibration control are discussed. Copyright 1999 Academic Press. 相似文献
73.
Khandelwal A Lukacova V Kroll DM Raha S Comez D Balaz S 《The journal of physical chemistry. A》2005,109(29):6387-6391
The linear response (LR) approximation and similar approaches belong to practical methods for estimation of ligand-receptor binding affinities. The approaches correlate experimental binding affinities with the changes upon binding of the ligand electrostatic and van der Waals energies and of solvation characteristics. These attributes are expressed as ensemble averages that are obtained by conformational sampling of the protein-ligand complex and of the free ligand by molecular dynamics or Monte Carlo simulations. We observed that outliers in the LR correlations occasionally exhibit major conformational changes of the complex during sampling. We treated the situation as a multimode binding case, for which the observed association constant is the sum of the partial association constants of individual states/modes. The resulting nonlinear expression for the binding affinities contains all the LR variables for individual modes that are scaled by the same two to four adjustable parameters as in the one-mode LR equation. The multimode method was applied to inhibitors of a matrix metalloproteinase, where this treatment improved the explained variance in experimental activity from 75% for the unimode case to about 85%. The predictive ability scaled accordingly, as verified by extensive cross-validations. 相似文献
74.
Fuad Ameen Abobakr Almansob Mona Al Tami Nouf Al-Enazi Ahmed Al-Sabri Raha Orfali 《Molecules (Basel, Switzerland)》2021,26(1)
Seven endophytic fungi were isolated from the tropical medicinal plant Piper longum L. After preliminary screening, Phomopsis heveicola was selected for the epigenetic activation treatments. The antibacterial, antifungal, and antioxidant potentials of crude extracts obtained from the treatments (with and without epigenetic modifiers) were analyzed in vitro. The extracts inhibited growth of the human pathogens Pseudomonas aeruginosa, Shigella sonnei, Streptococcus pyogenes, and Salmonella typhi, as well as the phytopathogens Puccinia recondita, Rhizoctonia solani, Phytophthora infestans, and Botrytis cinerea. Furthermore, DPPH-scavenging activity was higher in valproic acid treated extracts. Volatile chemicals with known biological activities (measured with GC-MS/MS), were released in the valproic acid treatment. The antimicrobial potentials of the extracts were confirmed using MRM/MS analysis. The experiments revealed a new promising endophytic fungus, P. heveicola, to be utilized in biological plant protection and in biomedical applications. 相似文献
75.
Raha Orfali Shagufta Perveen Mohamed Fahad AlAjmI Safina Ghaffar Md Tabish Rehman Abdullah R. AlanzI Saja Bane Gamea Mona Essa Khwayri 《Molecules (Basel, Switzerland)》2022,27(11)
Antibiotic resistance is considered a major health concern globally. It is a fact that the clinical need for new antibiotics was not achieved until now. One of the most commonly prescribed classes of antibiotics is β-Lactam antibiotics. However, most bacteria have developed resistance against β-Lactams by producing enzymes β-Lactamase or penicillinase. The discovery of new β-Lactamase inhibitors as new antibiotics or antibiotic adjuvants is essential to avoid future catastrophic pandemics. In this study, five dihydroisocoumarin: 6-methoxy mellein (1); 5,6-dihydroxymellein (2); 6-hydroxymellein (3); 4-chloro-6-hydroxymellein (4) and 4-chloro-5,6-di-hydroxymellein (5) were isolated from Wadi Lajab sediment-derived fungus Penicillium chrysogenum, located 15 km northwest of Jazan, KSA. The elucidation of the chemical structures of the isolated compounds was performed by analysis of their NMR, MS. Compounds 1–5 were tested for antibacterial activities against Gram-positive and Gram-negative bacteria. All of the compounds exhibited selective antibacterial activity against Gram-positive bacteria Staphylococcus aureus and Bacillus licheniformis except compound 3. The chloro-dihydroisocoumarin derivative, compound 4, showed potential antimicrobial activities against all of the tested strains with the MIC value between 0.8–5.3 μg/mL followed by compound 5, which exhibited a moderate inhibitory effect. Molecular docking data showed good affinity with the isolated compounds to β-Lactamase enzymes of bacteria; NDM-1, CTX-M, OXA-48. This work provides an effective strategy for compounds to inhibit bacterial growth or overcome bacterial resistance. 相似文献
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A library of one of the two Lyme disease antigens, BbGL1, has been synthesized in four steps from d-galactose using BF(3)-promoted glycosylation of the peracetate to introduce the cholesteryl β-glycoside and TBTU-promoted esterification to add a range of fatty acids regioselectively at O-6 of d-galactose in good yield. 相似文献