| 1. |
- Ran, Huashen, et al.
(author)
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Microstructure and properties of Ti5Si3-based porous intermetallic compounds fabricated via combustion synthesis
- 2014
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In: Journal of Alloys and Compounds. - : Elsevier BV. - 0925-8388 .- 1873-4669. ; 612, s. 337-342
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Journal article (peer-reviewed)abstract
- Porous titanium silicides (Ti5Si3-based) were produced by combustion synthesis process from reaction mixtures of titanium to silicon in varying molar ratios. The effects of combustion characteristics of the reaction mixtures on the phase formation, microstructure, porosity, pore size and compressive strength of porous titanium silicide intermetallic compounds were investigated. The results showed that the flame-front propagation velocity and temperature of the combustion reaction were the maximum for the reaction mixture containing Ti and Si in the ratio of 5 to 3 (Ti5Si3), 32.7 mm/s and 2205 K, respectively. X-ray diffraction analysis confirmed that the dominant phase formed was Ti5Si3 in all combustion synthesized porous intermetallic compounds. Ti5Si3-based intermetallic compounds were highly porous. The porosity and pore size of these intermetallics were dependent on the initial composition of the reaction mixture. The total and open porosities of Ti5Si3-based intermetallics varied from 33 to 61% and 17 to 55%, respectively. The porous titanium silicide intermetallic materials displayed high mechanical strength, in the range of 6-35 MPa, duly required for their use as filters.
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| 2. |
- Draper-Joyce, Christopher J., et al.
(author)
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Positive allosteric mechanisms of adenosine A(1) receptor-mediated analgesia
- 2021
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In: Nature. - : Springer Nature. - 0028-0836 .- 1476-4687. ; 597:7877, s. 571-576
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Journal article (peer-reviewed)abstract
- The adenosine A(1) receptor (A,R) is a promising therapeutic target for non-opioid analgesic agents to treat neuropathic pain(1,2). However, development of analgesic orthosteric A(1)R agonists has failed because of a lack of sufficient on-target selectivity as well as off-tissue adverse effects(3). Here we show that [2-amino-4-(3,5-bis(trifluoromethyl) phenyl)thiophen-3-yl)(4-chlorophenyl)methanone] (MIPS521), a positive allosteric modulator of the A(1)R, exhibits analgesic efficacy in rats in vivo through modulation of the increased levels of endogenous adenosine that occur in the spinal cord of rats with neuropathic pain. We also report the structure of the co-bound to adenosine, MIPS521 and a G(12) heterotrimer, revealing an extrahelicallipid-detergent-facing allosteric binding pocket that involves transmembrane helixes 1, 6 and 7. Molecular dynamics simulations and ligand kinetic binding experiments support a mechanism whereby MIPS521 stabilizes the adenosine-receptor-G protein complex. This study provides proof of concept for structure-based allosteric drug design of non-opioid analgesic agents that are specific to disease contexts.
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| 3. |
- Feng, Peizhong, et al.
(author)
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Combustion synthesis of (Mo1-xCrx)Si-2 (x=0.00-0.30) alloys in SHS mode
- 2012
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In: Advanced Powder Technology. - : Elsevier BV. - 0921-8831 .- 1568-5527. ; 23:2, s. 133-138
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Journal article (peer-reviewed)abstract
- Combustion synthesis was adopted to successfully synthesize molybdenum-silicon-chromium (Mo-Si-Cr) alloys by the mode of self-propagating high-temperature synthesis (SHS). The experimental study of combustion synthesis of Mo-Si-Cr alloys was conducted on elemental powder compacts. Powder compacts with nominal compositions including MoSi2, (Mo0.95Cr0.05)Si-2, (Mo0.90Cr0.10)Si-2, (Mo0.85Cr0.15)Si-2, (Mo0.80Cr0.20)Si-2, (Mo0.75Cr0.25)Si-2 and (Mo0.20Cr0.30)Si-2 were employed in combustion synthesis experiments. The combustion mode, combustion temperature, flame-front propagation velocity and product structure were investigated. The results showed that Mo-Si-Cr alloys were synthesized by an unsteady state combustion mode with a spiral-trajectory reaction front. The peak combustion temperature reduced with the addition of Cr to Mo-Si system. The flame-front propagation velocity decreased with an increase in Cr content of the powder compact. The X-ray diffraction (XRD) results showed that the crystal structure of the combustion product changed from CIIb-type structure (Mo0.90Cr0.10)Si-2 to C40-type structure (Mo0.80Cr0.15)Si-2 with increase in Cr content of Mo-Cr-Si alloys. The intensities of diffraction peaks of the C40-type phase gradually increased with increase in Cr content.
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| 4. |
- Peng, Cheng, et al.
(author)
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Conformation of the Macrocyclic Drug Lorlatinib in Polar and Nonpolar Environments : A MD Simulation and NMR Study
- 2019
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In: ACS Omega. - : American Chemical Society (ACS). - 2470-1343. ; 4:26, s. 22245-22250
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Journal article (peer-reviewed)abstract
- The replica exchange molecular dynamics (REMD) simulation is demonstrated to readily predict the conformations of the macrocyclic drug lorlatinib, as validated by solution NMR studies. In aqueous solution, lorlatinib adopts a conformer identical to its target bound structure. This conformer is stabilized by an extensive hydrogen bond network to the solvents. In chloroform, lorlatinib populates two conformers with the second one being less polar, which may contribute to lorlatinib’s ability to cross cell membranes.
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| 5. |
- Wang, Jiandong, et al.
(author)
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Synthesis, microstructure and properties of MoSi2-5vol.%Al2O3 composites
- 2014
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In: Ceramics International. - : Elsevier BV. - 0272-8842 .- 1873-3956. ; 40:10 Part B, s. 16381-16387
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Journal article (peer-reviewed)abstract
- MoSi2-5vol.%Al2O3 composites were prepared in situ by self-propagating combustion synthesis from Mo, Si, Al and MoO3 powders. The combustion mode and temperature of the self-propagating reaction and phase composition of the product were investigated. The results showed that the combustion mode was a steady-state self-propagating process and the composite product was composed of MoSi2 and Al2O3. MoSi2-5vol.%Al2O3 composites were consolidated by vacuum hot-pressed sintering from 1300 to 1600 °C to produce composites with high density. MoSi2-5vol.%Al2O3 composites sintered at 1400 °C exhibited a fine microstructure and excellent mechanical properties: grain size ∼5 μm, Vicker’s hardness 11.14 GPa, bending strength 435 MPa, and fracture toughness 4.53 MPa.m1/2.
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| 6. |
- Yao, Xingang, et al.
(author)
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Inhibition of dengue viral infection by diasarone-I is associated with 2'O methyltransferase of NS5
- 2018
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In: European Journal of Pharmacology. - Amsterdam : Elsevier. - 0014-2999 .- 1879-0712. ; 821, s. 11-20
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Journal article (peer-reviewed)abstract
- Dengue virus (DENV) is the most prevalent mosquito borne viral pathogen worldwide. However, antiviral drugs against this infection are not available. To identify novel anti-DENV compound from traditional Chinese medicine, we discovered the ethanol extract of Acorus tatarinowii Schott containing potent anti-DENV activity and diasarone-I was isolated from this extract. Diasarone-I has antiviral effect with half maximal effective concentration (EC50) of 4.5μM and half maximal cytotoxicity concentration (CC50) of >80μM. Time of drug addition assay suggested that this compound inhibited at RNA replication step in the DENV life cycle. Further, in silico analysis indicated that diasarone-I might act as an inhibitor of 2'O Methyltransferase of NS5. Diasarone-I has also decreased the DENV2-induced STAT1 phosphorylation and ISGs. In summary, we suggest that diasarone-I may be a 2'O Methyltransferase inhibitor and might serve as a potential candidate for the treatment of DENV2 infections. © 2017 Elsevier B.V.
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| 7. |
- Yao, Xingang, et al.
(author)
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Q63, a novel DENV2 RdRp non-nucleoside inhibitor, inhibited DENV2 replication and infection
- 2018
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In: Journal of Pharmacological Sciences. - Amsterdam : Elsevier. - 1347-8613 .- 1347-8648. ; 138:4, s. 247-256
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Journal article (peer-reviewed)abstract
- Dengue virus (DENV) annually infects 400 million people worldwide. Unfortunately, there is lack ofwidely protective vaccine or drugs against DENV. The viral RNA-dependent RNA polymerase (RdRp) ofNS5 protein is highly conserved among different DENV subtypes, thus presenting itself as an attractivetarget for drug design. In the current research, SPRi was performed to screen compounds against DENV2RdRp and 5(1H)-Quinazolinone,2-(4-bromophenyl)-2,3,4,6,7,8-hexahydro-7,7-dimethyl-1,3-diphenyl(Q63) was successfully screened out with a KD of 0.9 mM. Then, ITC and molecular docking assay wasperformed to access the binding mechanism between Q63 and DENV2 RdRp. Meanwhile, Q63 alsodecreased the intermediate dsRNA production, which was the product of RdRp. Further the antiviraleffects of Q63 were evaluated on mosquito C6/36 cells and mammalian BHK-21 cells. Q63 reduced CPEand cell toxicity effect after DENV2 infection on C6/36 and BHK-21 cells, with an EC50 of 2.08 mM. Time ofaddition assay revealed that Q63 affected the early genome RNA replication stage, including genome RNAreplication. In addition, Q63 down-regulated STAT1 phosphorylation, ISG15 and ISG54 after DENV2infection. In summary, Q63 was found to be a novel RdRp non-nucleoside inhibitor and a potential leadcompound for coping with DENV infectious disease in the future. © 2018 The Authors.
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| 8. |
- Zhu, Gaoming, et al.
(author)
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Synthesis and Properties of MoSi2–MoB–SiC Ceramics
- 2016
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In: Journal of The American Ceramic Society. - : Wiley. - 0002-7820 .- 1551-2916. ; 99:4, s. 1147-1150
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Journal article (peer-reviewed)abstract
- MoB and SiC particulate reinforced MoSi2 matrix composites were synthesized in situ from Mo, Si, and B4C powder mixtures by self-propagating high-temperature synthesis (SHS). The SHS MoSi2–MoB–SiC products were vacuum hot-pressed (HPed) at 1400°C for 90 min to fabricate high-density (> 97.5% relative density) bulk composites. Microstructure refinement and improvements in the Vickers hardness and fracture toughness of the HPed composites were observed with increasing B4C content in the reaction mixture. The HPed composite of composition MoSi2–0.4MoB–0.1SiC exhibited grain size of 1–5 μm, Vickers hardness of 12.5 GPa, bending strength of 537 MPa, and fracture toughness of 3.8 MPa.m1/2. These excellent mechanical properties indicate that MoB and SiC particulate reinforced MoSi2 composites could be promising candidates for structural applications.
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