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Article
Spatiotemporal and global profiling of DNA–protein interactions enables discovery of low-affinity transcription factors
Precise dissection of DNA–protein interactions is essential for elucidating the recognition basis, dynamics and gene regulation mechanism. However, global profiling of weak and dynamic DNA–protein interactions...
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Article
Mechanism-based ligand design for copper-catalysed enantioconvergent C(sp3)–C(sp) cross-coupling of tertiary electrophiles with alkynes
In contrast with the well-established enantioconvergent radical C(sp3)–C cross-coupling of racemic secondary alkyl electrophiles, the corresponding coupling of tertiary electrophiles to forge all-carbon quaternar...
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Article
A directive Ni catalyst overrides conventional site selectivity in pyridine C–H alkenylation
Achieving the transition metal-catalysed pyridine C3−H alkenylation, with pyridine as the limiting reagent, has remained a long-standing challenge. Previously, we disclosed that the use of strong coordinating ...
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Article
Isoniazid thermal runaway simulation based on ARC data
The law of fire occurring in the reaction of self-reactive substances is unique, when heated, comparing with common solid combustibles. In this paper, the possible thermal runaway reaction of Isoniazid storage...
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Article
Synthesis of a Valen Schiff-base bismuth(III) complex and its thermokinetic studies on the growth metabolism of S. pombe
A Valen Schiff-base ligand [1,5-bis(2-hydroxy-3-methoxybenzylidene)thiocarbonohydrazide] and its bismuth(III) complex were synthesized. The compositions and structures of two compounds were characterized by el...
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Article
A general asymmetric copper-catalysed Sonogashira C(sp3)–C(sp) coupling
Continued development of the Sonogashira coupling has made it a well established and versatile reaction for the straightforward formation of C–C bonds, forging the carbon skeletons of broadly useful functional...
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Article
Synthesis, crystal structure, redox property, and cytotoxic activity of a dinuclear cobalt(II) complex bearing a tetradentate benzimidazole ligand
A tetradentate benzimidazole ligand cis,cis,cis,cis-2,2′,2″,2‴-(cyclopentane-1,2,3,4-tetrayl)tetrakis(1H-benzo[d]imidazole) (cttb) and its dinuclear cobalt(II) complex [Co2(cttb)Cl4]·2DMF·H2O have been synthesize...
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Article
Influence of inherent alkali metal chlorides on pyrolysis mechanism of a lignin model dimer based on DFT study
In order to understand the catalytic effects of inherent inorganic elements in biomass on the pyrolysis mechanism of lignin, density functional theory with a Gaussian method of M06-2X and basic set of 6-31 + G...
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Article
Forced-air cooling system for large-scale lithium-ion battery modules during charge and discharge processes
Heat generation and accumulation during working schemes of the lithium-ion battery (LIB) are the critical safety issues in hybrid electric vehicles or electric vehicles. Appropriate battery thermal management ...
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Article
Preparation of nano-RDX-based PBX and its thermal decomposition properties
The nano-RDX-based plastic bonded explosives (PBXs) are prepared by solution–water suspension method. The thermal decomposition characteristics and the thermal stability of the as-prepared PBX are studied. The...
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Article
Interaction characteristics and mechanism in the fast co-pyrolysis of cellulose and lignin model compounds
During biomass fast pyrolysis process, the interactions among biomass components will affect the pyrolytic products distribution. In this study, d-glucose and a β-O-4 type lignin model dimer (LMD, 1-(4-hydroxy-3-...
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Article
Theoretical study about effects of H2O and Na+ on adsorption of CO2 on kaolinite surfaces
The density functional theory(DFT) was used to investigate the adsorptions of carbon dioxide(CO2) on kaolinite surfaces and the influences of Na+ and H2O on the adsorption. Both cluster and periodic models of kao...
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Article
Pyrolysis mechanism of a β-O-4 type lignin dimer model compound
To help understand the pyrolysis mechanism of lignin, a non-phenolic lignin dimer model compound with β-O-4 linkage, namely 1-methoxy-2-(4-methoxyphenethoxy)benzene, was prepared. Its pyrolysis mechanism was inve...
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Article
Synthesis, characterization, and investigations of some luminescent and catalytic properties of coordination polymers assembled from 5-(Pyridin-3-yl)isophthalic acid
The reactions of a semirigid carboxylic ligand 5-(Pyridin-3-yl)isophthalic acid(H2pyip) with Mn(CH3COO)2/Zn(NO3)2/Pb(NO3)2 afforded three new complexes: [Mn(pyip)(H2O)2]n(1), [Zn(pyip)(H2O)2]n(2), and [Pb(pyip)]n
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Article
Synthesis, crystal structure and thermochemical study on a novel ternary coordination compound [Bi(C7H5O3)3C12H8N2]
A new ternary bismuth complex [Bi(C7H5O3)3C12H8N2] (C7H6O3, o-hydroxybenzoic acid; C12H8N2, 1,10-phenanthroline monohydrate) and its crystal were prepared and characterized. The results showed that the crystal is...
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Article
A comprehensive analysis of the properties of light crude oil in oxidation experimental studies
The analysis of light crude oil for oxidation reaction experiments is a kind of important technological for evaluating an air injection project in a reservoir. In this study, the paper comprehensively analyzes...
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Article
Synthesis and characterization of TS-1 with the aid of supercritical CO2
A new route to synthesize TS-1 has been developed using the supercritical carbon dioxide(SCCO2) as a crystallization-assistant agent. SCCO2 plays a dual role: as a reagent changing the alkalinity during the cryst...
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Article
Antitumor compound identification from Zanthoxylum bungeanum essential oil based on composition-activity relationship
The chemical composition of Zanthoxylum bungeanum(Z. bungeanum) essential oil(39 batches) was analyzed by gas chromatography-mass spectrometry(GC-MS) analysis(23 ingredients), and the antitumor activity against H...
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Article
Design, synthesis and antitumor activity in vitro of a series of 3-arylcoumarins
A new series of 7-substituted 3-arylcoumarins was designed, synthesized and evaluated as novel antitumor agents in vitro. It was found that several compounds of them exhibit activity in vitro against SK-HEP-1(hep...
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Article
Design, synthesis and antitumor activity of a novel series of PAC-1 analogues
A novel series of first procaspase activating compound(PAC-1) analogues was designed, synthesized and evaluated for antitumor activity towards two cell lines[human promyelocytic leukemia cell line(HL60) and hu...