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2017 Volume 33 Issue 5
2017, 33(5):
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2017, 33(5): 853-854
doi: 10.3866/PKU.WHXB201703171
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2017, 33(5): 855-856
doi: 10.3866/PKU.WHXB201703203
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2017, 33(5): 857-858
doi: 10.3866/PKU.WHXB201703172
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2017, 33(5): 859-860
doi: 10.3866/PKU.WHXB201703141
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2017, 33(5): 861-862
doi: 10.3866/PKU.WHXB201703201
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2017, 33(5): 863-864
doi: 10.3866/PKU.WHXB201703202
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2017, 33(5): 865-866
doi: 10.3866/PKU.WHXB201703231
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2017, 33(5): 869-885
doi: 10.3866/PKU.WHXB201702088
Abstract:
Hydrogen produced from electrochemical water-splitting driven by renewable resource-derived electricity is considered a promising candidate for clean energy. However, sustainable hydrogen production from water splitting requires highly active catalys...
Hydrogen produced from electrochemical water-splitting driven by renewable resource-derived electricity is considered a promising candidate for clean energy. However, sustainable hydrogen production from water splitting requires highly active catalys...
2017, 33(5): 886-902
doi: 10.3866/PKU.WHXB201702092
Abstract:
Non-precious metal catalysts should be studied to substitute precious Pt catalysts. Recent developments of non-precious-metal catalysts (combined with the achievements of our group) are summarized in this paper. The main issues that exist in the tran...
Non-precious metal catalysts should be studied to substitute precious Pt catalysts. Recent developments of non-precious-metal catalysts (combined with the achievements of our group) are summarized in this paper. The main issues that exist in the tran...
2017, 33(5): 903-917
doi: 10.3866/PKU.WHXB201702091
Abstract:
Nitric oxide (NO)—an endogenous diatomic molecule—plays key roles in various physiological and pathological processes, including smooth muscle relaxation in blood vessels, immune response, neurotransmission, respiration, and cell apoptosis. The biolo...
Nitric oxide (NO)—an endogenous diatomic molecule—plays key roles in various physiological and pathological processes, including smooth muscle relaxation in blood vessels, immune response, neurotransmission, respiration, and cell apoptosis. The biolo...
2017, 33(5): 918-926
doi: 10.3866/PKU.WHXB201701163
Abstract:
The purpose of this paper is to present a novel way to building quantitative structure-propertyrelationship (QSPR) models for predicting the gas-to-benzene solvation enthalpy (ΔHSolv) of 158 organiccompounds based on molecular descriptors calculated ...
The purpose of this paper is to present a novel way to building quantitative structure-propertyrelationship (QSPR) models for predicting the gas-to-benzene solvation enthalpy (ΔHSolv) of 158 organiccompounds based on molecular descriptors calculated ...
2017, 33(5): 927-940
doi: 10.3866/PKU.WHXB201702211
Abstract:
In this paper, based on the complex protein structure of third dopamine receptor (D3R) with dopamine (DOP), we have studied the trajectories with the free energy changes of D3R for DOP to move along its molecular channels and then probed the molecula...
In this paper, based on the complex protein structure of third dopamine receptor (D3R) with dopamine (DOP), we have studied the trajectories with the free energy changes of D3R for DOP to move along its molecular channels and then probed the molecula...
2017, 33(5): 941-948
doi: 10.3866/PKU.WHXB201702085
Abstract:
In this study, the electronic structures and photocatalytic properties of Ag3XO4 (X = P, As, V) were investigated using the first principles based on the density functional theory. In comparison to Ag3PO4, Ag3VO4 shows better photocatalytic stability...
In this study, the electronic structures and photocatalytic properties of Ag3XO4 (X = P, As, V) were investigated using the first principles based on the density functional theory. In comparison to Ag3PO4, Ag3VO4 shows better photocatalytic stability...
2017, 33(5): 949-959
doi: 10.3866/PKU.WHXB201702152
Abstract:
The slip and anisotropy of 2,4,6-triamino-1,3,5-trinitrobenzene (TATB) crystal under shock loading along various directions were investigated using molecular dynamics simulation combined with reactive force field (ReaxFF). The shock strength was appr...
The slip and anisotropy of 2,4,6-triamino-1,3,5-trinitrobenzene (TATB) crystal under shock loading along various directions were investigated using molecular dynamics simulation combined with reactive force field (ReaxFF). The shock strength was appr...
2017, 33(5): 960-967
doi: 10.3866/PKU.WHXB201702086
Abstract:
The photoelectrochemical method was combined with the in-situ molecular imprinting technique. Using the chiral ibuprofen enantiomers (S-ibuprofen and R-ibuprofen) as template molecules, S-ibuprofen and R-ibuprofen molecular imprinting sites were cons...
The photoelectrochemical method was combined with the in-situ molecular imprinting technique. Using the chiral ibuprofen enantiomers (S-ibuprofen and R-ibuprofen) as template molecules, S-ibuprofen and R-ibuprofen molecular imprinting sites were cons...
2017, 33(5): 968-975
doi: 10.3866/PKU.WHXB201702093
Abstract:
Biochar derived from reproducible massive biomasses presents the advantages of low cost and renewable resources. In this work aiming to solve the existing problems of the lithium-sulfur battery, sulfur@biochar (S@biochar) composite cathode materials ...
Biochar derived from reproducible massive biomasses presents the advantages of low cost and renewable resources. In this work aiming to solve the existing problems of the lithium-sulfur battery, sulfur@biochar (S@biochar) composite cathode materials ...
2017, 33(5): 976-983
doi: 10.3866/PKU.WHXB201702089
Abstract:
This work presents the correlation of the enzymatic activity of α-chymotrypsin (α-CT) with the thermodynamics of interaction between α-CT and the cationic gemini surfactant decanediyl-α,ω-bis (dodecyldimethylammonium bromide) (12-10-12). The enzymati...
This work presents the correlation of the enzymatic activity of α-chymotrypsin (α-CT) with the thermodynamics of interaction between α-CT and the cationic gemini surfactant decanediyl-α,ω-bis (dodecyldimethylammonium bromide) (12-10-12). The enzymati...
2017, 33(5): 984-992
doi: 10.3866/PKU.WHXB201702084
Abstract:
It is of significance to investigate the support effect in heterogeneous metal catalysts. Pt/Fe3O4, Pt/ γ-Fe2O3, and Pt/α-Fe2O3 nanocomposites with the same Pt nanoclusters were prepared by adsorbing Pt colloidal particles stabilized with simple ions...
It is of significance to investigate the support effect in heterogeneous metal catalysts. Pt/Fe3O4, Pt/ γ-Fe2O3, and Pt/α-Fe2O3 nanocomposites with the same Pt nanoclusters were prepared by adsorbing Pt colloidal particles stabilized with simple ions...
2017, 33(5): 993-1000
doi: 10.3866/PKU.WHXB201702087
Abstract:
Noble-metal-free CuMo nanoparticles (NPs) without surfactant or support have been facilely prepared using NaBH4 as a reducing agent. The as-prepared CuMo nanocatalysts were characterized using X-ray diffraction (XRD), transmission electron microscopy...
Noble-metal-free CuMo nanoparticles (NPs) without surfactant or support have been facilely prepared using NaBH4 as a reducing agent. The as-prepared CuMo nanocatalysts were characterized using X-ray diffraction (XRD), transmission electron microscopy...
2017, 33(5): 1001-1009
doi: 10.3866/PKU.WHXB201701131
Abstract:
A colorful surface plasmon resonance imaging sensor for the in-situ detection of benzopyrene (BaP) in water is presented in this paper. The sensor can provide intuitive image information and can also quantitatively analyze the concentration and adsor...
A colorful surface plasmon resonance imaging sensor for the in-situ detection of benzopyrene (BaP) in water is presented in this paper. The sensor can provide intuitive image information and can also quantitatively analyze the concentration and adsor...
2017, 33(5): 1010-1016
doi: 10.3866/PKU.WHXB201702102
Abstract:
Functional solid substrates modified by self-assembled monolayers (SAMs) have potential applications in biosensors, chromatography, and biocompatible materials. The potential-induced phase transition of N-isobutyryl-L-cysteine (L-NIBC) SAMs on Au(111...
Functional solid substrates modified by self-assembled monolayers (SAMs) have potential applications in biosensors, chromatography, and biocompatible materials. The potential-induced phase transition of N-isobutyryl-L-cysteine (L-NIBC) SAMs on Au(111...
2017, 33(5): 1017-1026
doi: 10.3866/PKU.WHXB201702082
Abstract:
A series of SiO2-supported fourth period transition metal catalysts (M/SiO2) was prepared by a wetness impregnation method for the dehydrochlorination of 1,1,2-trichloroethane (TCE) in the gas phase. Among these M/SiO2 catalysts, Zn/SiO2 had the best...
A series of SiO2-supported fourth period transition metal catalysts (M/SiO2) was prepared by a wetness impregnation method for the dehydrochlorination of 1,1,2-trichloroethane (TCE) in the gas phase. Among these M/SiO2 catalysts, Zn/SiO2 had the best...
2017, 33(5): 1027-1032
doi: 10.3866/PKU.WHXB201702081
Abstract:
MoS2 nanosheets are prepared with sulfur powder and Na2MoO4 by a one-pot two-phase method at 170－200 ℃ for 8 h. In addition, a three-step growth mechanism based on the aggregation and coalescence model is proposed. The reassembly of sulfur powder ens...
MoS2 nanosheets are prepared with sulfur powder and Na2MoO4 by a one-pot two-phase method at 170－200 ℃ for 8 h. In addition, a three-step growth mechanism based on the aggregation and coalescence model is proposed. The reassembly of sulfur powder ens...
2017, 33(5): 1033-1042
doi: 10.3866/PKU.WHXB201702101
Abstract:
This work reports a controlled green synthesis of highly monodisperse bismuth subcarbonate (BS) micropompons self-assembled by nanosheets using a simple and facile hydrothermal route in which deionized water, bismuth nitrate pentahydrate (BNP), and u...
This work reports a controlled green synthesis of highly monodisperse bismuth subcarbonate (BS) micropompons self-assembled by nanosheets using a simple and facile hydrothermal route in which deionized water, bismuth nitrate pentahydrate (BNP), and u...
2017, 33(5): 1043-1050
doi: 10.3866/PKU.WHXB201702083
Abstract:
A new method is developed to effectively study the contributions of various coexisting conformations to the actual vibrational spectrum of liquid polyethylene oxide (PEO). By defining six conformations for the －(CH2CH2O)－ unit, four isomers from the ...
A new method is developed to effectively study the contributions of various coexisting conformations to the actual vibrational spectrum of liquid polyethylene oxide (PEO). By defining six conformations for the －(CH2CH2O)－ unit, four isomers from the ...
2017, 33(5): 1051-1056
doi: 10.3866/PKU.WHXB201702201
Abstract:
The reactions of triplet-state difloxacin (DFX) with various amino acids and deoxyguanylic acid in aqueous media were studied using laser flash photolysis. Tryptophan, tyrosine, cysteine, and 2'-deoxyguanosine-5'-monophosphate (dGMP) were found to co...
The reactions of triplet-state difloxacin (DFX) with various amino acids and deoxyguanylic acid in aqueous media were studied using laser flash photolysis. Tryptophan, tyrosine, cysteine, and 2'-deoxyguanosine-5'-monophosphate (dGMP) were found to co...
2017, 33(5): 1057-1064
doi: 10.3866/PKU.WHXB201702161
Abstract:
Two new blue-light-emitting materials based on tetraphenylethylene (TPE), TPE-4Br, and TPE-3Br have been designed and synthesized. They have been used as emitting materials in organic light-emitting diodes (OLEDs) and have been found to form electrop...
Two new blue-light-emitting materials based on tetraphenylethylene (TPE), TPE-4Br, and TPE-3Br have been designed and synthesized. They have been used as emitting materials in organic light-emitting diodes (OLEDs) and have been found to form electrop...
2017, 33(5): 1065-1070
doi: 10.3866/PKU.WHXB201703061
Abstract:
In this paper, the fluorescence dynamics of tryptophan residues in LicT protein is investigated by time-resolved fluorescence method combined with UV absorption and steady-state fluorescence spectroscopy. The local microenvironment and structural cha...
In this paper, the fluorescence dynamics of tryptophan residues in LicT protein is investigated by time-resolved fluorescence method combined with UV absorption and steady-state fluorescence spectroscopy. The local microenvironment and structural cha...
