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91.
Ehsan Mohammadpour Jomana Al-Nu’airat Zhong-Tao Jiang Nicholas Mondinos Bogdan Z. Dlugogorski 《Molecular simulation》2018,44(5):415-423
The equilibrium structure, elastic constants Cij and thermodynamic functions of cubic titanium nitride (TiN) were calculated within the temperature range of 0–3100 K and under a pressure range 0–60 GPa. Properties were computed using the generalised gradient approximations (GGA) exchange-correlation functional. Calculated mechanical properties (Elastic constants, Young’s modulus and shear modulus) and phonon spectra of TiN obtained via robust DFT-QHA algorithm, were generally in a good agreement with available experimental and theoretical analogous values. In particular, a well-examined quasi-harmonic approximation method implemented in the Gibbs2 code is utilised herein to provide accurate estimation of thermal expansion coefficients, entropies, heat capacity values (at different combinations of temperature/volume/pressure) and Debye’s temperature. Parameters calculated herein shall be useful to elucidate the superior performance of TiN at harsh operational conditions encompassing elevated temperatures and pressures pertinent to cutting machineries and surface coatings. 相似文献
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Ehsan Ullah Mughal Asif Javid Amina Sadiq Shahzad Murtaza Muhammad Naveed Zafar Bilal Ahmad Khan Sajjad Hussain Sumrra Muhammad Nawaz Tahir Khalid Mohammed Khan 《Bioorganic & medicinal chemistry》2018,26(12):3696-3706
The prime objective of this research work is to prepare readily soluble synthetic analogues of naturally occurring 3-O-flavonol glycosides and then investigate the influence of various substituents on biological properties of synthetic compounds. In this context, a series of varyingly substituted 3-O-flavonol glycosides have been designed, synthesized and characterized efficiently. The structures of synthetic molecules were unambiguously corroborated by IR, 1H, 13C NMR and ESI-MS spectroscopic techniques. The structure of compound 22 was also analyzed by X-ray diffraction analysis. All the synthetic compounds (21–30) were evaluated for in vitro inhibitory potential against cholinesterase enzymes. The results displayed that most of the derivatives were potent inhibitors of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) with varying degree of IC50 values. The experimental results were further encouraged by molecular docking studies in order to explore their binding behavior with the active pocket of AChE and BChE enzymes. The experimental and theoretical results are in parallel with one another. 相似文献
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Saber Esmaeili Saied Reza Naddaf Behzad Pourhossein Abdolrazagh Hashemi Shahraki Fahimeh Bagheri Amiri Mohammad Mehdi Gouya Ehsan Mostafavi 《PloS one》2016,11(1)
Zoonotic diseases can be occupational hazards to people who work in close contact with animals or their carcasses. In this cross-sectional study, 190 sera were collected from butchers and slaughterhouse workers in different regions of the Sistan va Baluchestan province, in Iran in 2011. A questionnaire was filled for each participant to document personal and behavioural information. The sera were tested for detection of specific IgG antibodies against brucellosis, leptospirosis, and Q fever (phase I and II) using commercial enzyme-linked immunosorbent assays (ELISA). The seroprevalence of brucellosis was 7.9%, leptospirosis 23.4%, and phase I and II of Q fever were 18.1% and 14.4%, respectively. The seroprevalence of Q fever and leptospirosis, but not brucellosis, varied among regions within the province (p = 0.01). Additionally, a significant relationship was found between seropositivity of Q fever and camel slaughtering (p = 0.04). Reduced seropositivity rate of brucellosis was associated with use of personal protective equipment (PPE) (p = 0.004). This study shows that brucellosis, leptospirosis and Q fever occur among butchers and slaughterhouse workers in this area. 相似文献
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Gazi E Gardner P Lockyer NP Hart CA Brown MD Clarke NW 《Journal of lipid research》2007,48(8):1846-1856
Various epidemiological studies show a positive correlation between high intake of dietary FAs and metastatic prostate cancer (CaP). Moreover, CaP metastasizes to the bone marrow, which harbors a rich source of lipids stored within adipocytes. Here, we use Fourier transform infrared (FTIR) microspectroscopy to study adipocyte biochemistry and to demonstrate that PC-3 cells uptake isotopically labeled FA [deuterated palmitic acid (D(31)-PA)] from an adipocyte. Using this vibrational spectroscopic technique, we detected subcellular locations in a single adipocyte enriched with D(31)-PA using the upsilon(as+s)(C-D)(2+3) (D(31)-PA): upsilon(as+s)(C-H)(2+3) (lipid hydrocarbon) signal. In addition, larger adipocytes were found to consist of a higher percentage of D(31)-PA of the total lipid found within the adipocyte. Following background subtraction, the upsilon(as)(C-D)(2+3) signal illuminated starved PC-3 cells cocultured with D(31)-PA-loaded adipocytes, indicating translocation of the labeled FA. This study demonstrates lipid-specific translocation between adipocytes and tumor cells and the use of FTIR microspectroscopy to characterize various biomolecular features of a single adipocyte without the requirement for cell isolation and lipid extraction. 相似文献
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Habibi E Masoudi-Nejad A Abdolmaleky HM Haggarty SJ 《Functional & integrative genomics》2011,11(4):523-537
Epigenetic mechanisms have emerged as important components of a variety of human diseases, including cancer and central nervous
system disorders. Despite recent studies highlighting the role of epigenetic mechanisms in several neurodegenerative and neuropsychiatric
disorders, to date, there has been a paucity of studies exploring the role of epigenetic factors in Parkinson’s disease (PD).
PD is a progressive neurological disorder with characteristic motor and non-motor symptoms, including a range of neuropsychiatric
features, for which neither preventative nor effective long-term treatment strategies are available. It is one of the most
common neurodegenerative disorders and the second most prevalent after Alzheimer’s disease. In this review, we present several
lines of evidence suggesting that epigenetic factors may play an important role in the pathogenesis of PD and propose on this
basis a framework to guide future investigations into epigenetic mechanisms and systems biology of PD. These notions, together
with technical advances in the ability to perform genome-wide analysis of epigenomic states, and newly available small-molecule
probes targeting chromatin-modifying enzymes, may help design new treatment strategies for PD and other human diseases involving
epigenetic dysregulation. 相似文献
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The aim of this study was to evaluate the potential of crude oil removal by fungal strains isolated from Arak refinery. The results showed that the RH10 strain is a potent strain as a surfactant producer and degrader of petrochemical hydrocarbons. The strain was identified as a Fusarium neocosmosporiellum and could degrade 58% of hydrocarbons in the minimal medium and reduce the surface tension from 45 to 26.5 mN m?1. Moreover, residual crude oil analysis with Fourier transform infrared spectrophotometry showed that this strain was able to degrade 50% of aliphatic compounds. To investigate the mechanism of degradation, oxidase enzymes were assayed and it was found that F. neocosmosporiellum can produce 1.94 U L?1 of laccase in 10 g L?1 crude oil. Carbon, nitrogen, phosphorus and soil pattern optimization in a microcosm study showed that this strain removed 44% and 27% of the crude oil from contaminated soil in 1% and 5% crude oil concentrations, respectively. Under optimum condition, 9.66 g kg?1 crude oil was removed by F. neocosmosporiellum when the initial oil concentration was 50 g kg?1, at the end of 150 days microcosm experiment. The results demonstrated the promising potential of fungi strain for cleaning of contaminated soil. 相似文献