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1. Exploring the Potential of Defective UiO-66 as Reverse Osmosis Membranes for Desalination

Author:
Hu, Songqing,   et al.   ; Lyu, Qiang; Deng, Xuepeng; Lin, Li-Chiang; Ho, W.S. Winston;     Show all 5 Authors
Source:
Journal of physical chemistry 2019 v.123 no.26 pp. 16118-16126
ISSN:
1932-7455
Subject:
adsorption; coordination polymers; desalination; energy; molecular dynamics; permeability; physiological transport; reverse osmosis; salts
Abstract:
... Defects in metal–organic frameworks (MOFs) can play an important role in the development of MOFs as promising reverse osmosis (RO) membranes for water desalination. By employing molecular dynamics techniques, we explore the effects of experimentally relevant defects in UiO-66 on their desalination performance. Different defect types with varying densities and chemical compensations are studied. Ou ...
DOI:
10.1021/acs.jpcc.9b01765

2. Mechanism of Foam Film Destruction Induced by Emulsified Oil: A Coarse-Grained Simulation Study

Author:
Hu, Songqing,   et al.   ; Wang, Hongbing; Wang, Zhikun; Lv, Qiang; Li, Chunling; Du, Zehong; Sun, Shuangqing;     Show all 7 Authors
Source:
Journal of physical chemistry 2018 v.122 no.46 pp. 26438-26446
ISSN:
1932-7455
Subject:
additives; droplets; emulsifying; foams; hydrophobicity; oils; physical chemistry; sodium dodecyl sulfate
Abstract:
... Hydrophobic oil additives have been shown to be a unique class of chemicals in solution, which affect the stability of foam films. While the oil-induced destruction of a foam film has been largely understood, the entry process of the oil droplet to the foam film remains vague in experiments. Here, we perform mesoscale simulations to explore the mechanism of the oil droplet entering the gas/water i ...
DOI:
10.1021/acs.jpcc.8b08151

3. Rational Design of Two-Dimensional Hydrocarbon Polymer as Ultrathin-Film Nanoporous Membranes for Water Desalination

Author:
Hu, Songqing,   et al.   ; Lyu, Qiang; Sun, Shuangqing; Li, Chunling; Lin, Li-Chiang;     Show all 5 Authors
Source:
ACS applied materials & interfaces 2018 v.10 no.22 pp. 18778-18786
ISSN:
1944-8252
Subject:
artificial membranes; desalination; drinking water; ions; molecular dynamics; nanopores; polymers; porosity; reverse osmosis; salts; sieves
Abstract:
... Membrane-based water desalination has drawn considerable attention for its potential in addressing the increasingly limited water resources, but progress remains limited due to the inherent constraints of conventional membrane materials. In this work, by employing state-of-the-art molecular simulation techniques, we demonstrated that two-dimensional hydrocarbon polymer membranes, materials that po ...
DOI:
10.1021/acsami.8b04630

4. Long-Lived and Thermoresponsive Emulsion Foams Stabilized by Self-Assembled Saponin Nanofibrils and Fibrillar Network

Author:
Hu, Songqing,   et al.   ; Wan, Zhili; Sun, Yingen; Ma, Lulu; Zhou, Feibai; Guo, Jian; Yang, Xiaoquan;     Show all 7 Authors
Source:
Langmuir 2018 v.34 no.13 pp. 3971-3980
ISSN:
1520-5827
Subject:
aeration; air; bubbles; cooling; drainage; droplets; emulsions; energy; foams; glycyrrhizin; heat; homogenization; hydrogels; industry; liquids; melting; nanofibers; saponins; soot; storage modulus; sunflower oil; temperature; ultraviolet radiation; viscoelasticity
Abstract:
... Nanofibrils from the self-assembly of the naturally occurring saponin glycyrrhizic acid (GA) can be used to produce an oil-in-water emulsion foam with a long-term stability. Through homogenization and aeration followed by rapid cooling, stable emulsion foams can be produced from the mixtures of sunflower oil and saponin nanofibrils. At high temperatures, the GA fibrils form a multilayer assembly a ...
DOI:
10.1021/acs.langmuir.8b00128

5. Dissipative particle dynamics simulations reveal the pH-driven micellar transition pathway of monorhamnolipids

Author:
Hu, Songqing,   et al.   ; Xu, Jianchang; Wang, ZhiKun; Gao, Jianbang; Li, Chunling; Sun, Shuangqing;     Show all 6 Authors
Source:
Journal of colloid and interface science 2017 v.506 pp. 493-503
ISSN:
0021-9797
Subject:
hydrophilicity; micelles; molecular dynamics; pH; rhamnolipids; solvents
Abstract:
... Dissipative particle dynamics (DPD) simulation has been used to study the effect of pH on the morphology transition of micelles assembled by monorhamnolipids (monoRLs). Results show that micellar structures and transition modes with increasing mass concentrations are multiform due to the changeable hydrophilicity of pH-responsive beads at different pH levels. Various chaotic multilayer aggregation ...
DOI:
10.1016/j.jcis.2017.07.083

6. Tunable Permeability of Cross-Linked Microcapsules from pH-Responsive Amphiphilic Diblock Copolymers: A Dissipative Particle Dynamics Study

Author:
Hu, Songqing,   et al.   ; Wang, Zhikun; Gao, Jianbang; Ustach, Vincent; Li, Chunling; Sun, Shuangqing; Faller, Roland;     Show all 7 Authors
Source:
Langmuir 2017 v.33 no.29 pp. 7288-7297
ISSN:
1520-5827
Subject:
composite polymers; crosslinking; hydrophobicity; pH; permeability; polyethylene glycol; surfactants
Abstract:
... Using dissipative particle dynamics simulation, we probe the tunable permeability of cross-linked microcapsules made from pH-sensitive diblock copolymers poly(ethylene oxide)-b-poly(N,N-diethylamino-2-ethyl methacrylate) (PEO-b-PDEAEMA). We first examine the self-assembly of non-cross-linked microcapsules and their pH-responsive collapse and then explore the effects of cross-linking and block inte ...
DOI:
10.1021/acs.langmuir.7b01586

7. Effect of graphene dispersion on the equilibrium structure and deformation of graphene/eicosane composites as surrogates for graphene/polyethylene composites: a molecular dynamics simulation

Author:
Hu, Songqing,   et al.   ; Chen, Shenghui; Lv, Qiang; Wang, Zhikun; Li, Chunling; Pittman, CharlesU., Jr.; Gwaltney, StevenR.; Sun, Shuangqing;     Show all 8 Authors
Source:
Journal of materials science 2017 v.52 no.10 pp. 5672-5685
ISSN:
0022-2461
Subject:
adsorption; deformation; dispersions; graphene; models; molecular dynamics; polyethylene; solidification
Abstract:
... Molecular dynamics simulations are used to investigate the effect of graphene dispersion on the equilibrium structure and deformation of graphene/eicosane composites. Two graphene sheets with four different interlayer distances are incorporated, respectively, into a eicosane matrix to form graphene/eicosane composites representing different graphene dispersions. With greater graphene dispersion, t ...
DOI:
10.1007/s10853-017-0802-6

8. Effect of Interfacial Bonding on Interphase Properties in SiO2/Epoxy Nanocomposite: A Molecular Dynamics Simulation Study

Author:
Hu, Songqing,   et al.   ; Wang, Zhikun; Lv, Qiang; Chen, Shenghui; Li, Chunling; Sun, Shuangqing;     Show all 6 Authors
Source:
ACS applied materials 2016 v.8 no.11 pp. 7499-7508
ISSN:
1944-8252
Subject:
chemical bonding; chemical elements; crosslinking; epoxides; glass transition; glass transition temperature; models; molecular dynamics; nanocomposites; nanoparticles; silica; thermal expansion; thermal stability
Abstract:
... Atomistic molecular dynamics simulations have been performed to explore the effect of interfacial bonding on the interphase properties of a nanocomposite system that consists of a silica nanoparticle and the highly cross-linked epoxy matrix. For the structural properties, results show that interfacial covalent bonding can broaden the interphase region by increasing the radial effect range of fluct ...
DOI:
10.1021/acsami.5b11810

9. Effect of Ca2+/Mg2+ on the stability of the foam system stabilized by an anionic surfactant: A molecular dynamics study A Physicochemical and engineering aspects

Author:
Hu, Songqing,   et al.   ; Li, Chunling; Zhang, Tiantian; Ji, Xianjing; Wang, Zhikun; Sun, Shuangqing;     Show all 6 Authors
Source:
Colloids and surfaces 2016 v.489 pp. 423-432
ISSN:
0927-7757
Subject:
air; anionic surfactants; calcium; cations; dissociation; energy; foams; hydrogen bonding; magnesium; molecular dynamics; polyethylene glycol; probability; sodium
Abstract:
... Molecular dynamics simulations were carried out to investigate the influence of cations (Ca²⁺/Mg²⁺) on the stability of the foam system stabilized by sodium dodecyl polyoxyethylene sulfonate (A12E2SO3). First, the structure of A12E2SO3 monolayer at the air/water interface was studied through analyzing the distribution of A12E2SO3 headgroups and the orientation of surfactant molecules. Results show ...
DOI:
10.1016/j.colsurfa.2015.11.012

10. The recognition mechanism of triple-helical β-1,3-glucan by a β-1,3-glucanase

Author:
Hu, Songqing,   et al.   ; QinThese authors contributed equally to this work., Zhen; Yang, Dong; You, Xin; Liu, Yu; Yan, Qiaojuan; Yang, Shaoqing; Jiang, Zhengqiang;     Show all 8 Authors
Source:
Chemical communications 2017 v.53 no.67 pp. 9368-9371
ISSN:
1364-548X
Subject:
beta-glucanase; chemical compounds; fungi; glycosides; hydrolysis; polysaccharides
Abstract:
... β-1,3-Glucan is one of the most abundant polysaccharides in fungi. Recognition of β-1,3-glucan occurs in both hydrolysis by glycoside hydrolases and immunological recognition. Our study provides a novel structural account of how glycoside hydrolase recognizes and hydrolyzes substrates in a triple-helical form and presents a general structural basis of β-1,3-glucan recognition. ...
DOI:
10.1039/c7cc03330c

11. Feasibility of monomer aromatic substances as calibration standards for lignin quantitative analyses in Pyrolysis-GCMS

Author:
Hu, Songqing,   et al.   ; Hou, Yi; Lindström, Mikael E.; Li, Jiebing;     Show all 4 Authors
Source:
Journal of analytical and applied pyrolysis 2013 v.101 pp. 232-237
ISSN:
0165-2370
Subject:
benzene; gas chromatography; lignin; paper pulp; pyrolysis; quantitative analysis
Abstract:
... In this article, the feasibilities of five different monomer aromatic substances as calibration standards by analytical pyrolysis with gas chromatographic separation and mass selective detection (Py-GC/MS) were applied for the quantification of lignin in paper and pulp. The stabilities of these substances in the pyrolysis process were evaluated and the curves of peak response area to mass also wer ...
DOI:
10.1016/j.jaap.2012.12.015

12. Mechanistic elucidation of apoptosis and cell cycle arrest induced by 5-hydroxymethylfurfural, the important role of ROS-mediated signaling pathways

Author:
Hu, Songqing,   et al.   ; Zhao, Ling; Su, Jianyu; Li, Lin; Chen, Jianping; Zhang, Xia; Chen, Tianfeng;     Show all 7 Authors
Source:
Food research international 2014 v.66 pp. 186-196
ISSN:
0963-9969
Subject:
DNA; Maillard reaction; Western blotting; amino acids; antineoplastic agents; antioxidants; apoptosis; cell cycle checkpoints; cell growth; chemoprevention; dose response; drug therapy; flow cytometry; foods; growth retardation; heat treatment; hexoses; hydroxymethylfurfural; ingredients; interphase; mechanism of action; mitochondria; mitogen-activated protein kinase; phosphatidylserines; reducing sugars; signal transduction
Abstract:
... 5-Hydroxymethylfurfural (5-HMF) has been found widely in foods through degradation of hexoses and the Maillard reaction during heat treatment of foods containing reducing sugars and amino acids in an acid environment. We have previously demonstrated 5-HMF as an antioxidant and antiproliferative ingredient. However, the action mechanisms and the underlying signaling pathways remain elusive. Therefo ...
DOI:
10.1016/j.foodres.2014.08.051

13. Characterization and crystal structure of a first fungal glyoxylate reductase from Paecilomyes thermophila

Author:
Hu, Songqing,   et al.   ; Duan, Xiaojie; Zhou, Peng; Zhou, Yong; Liu, Yu; Jiang, Zhengqiang;     Show all 6 Authors
Source:
Enzyme and microbial technology 2014 v.60 pp. 72-79
ISSN:
0141-0229
Subject:
Escherichia coli; NAD (coenzyme); NADP (coenzyme); Paecilomyces; alpha-ketoglutaric acid; amino acid sequences; amino acids; crystal structure; fungi; genes; open reading frames; oxaloacetic acid; pH; pyruvic acid; substrate specificity; temperature
Abstract:
... A glyoxylate reductase gene (PtGR) from the fungus Paecilomyces thermophila was cloned and expressed in Escherichia coli. PtGR was biochemically and structurally characterized. PtGR has an open reading frame of 993bp encoding 330 amino acids. The deduced amino acid sequence has low similarities to the reported glyoxylate reductases. The purified PtGR forms a homodimer. PtGR displayed an optimum pH ...
DOI:
10.1016/j.enzmictec.2014.04.004

14. Characterization of Temporary Metabolic Changes Following Cantonese Herbal Tea Intervention

Author:
Hu, Songqing,   et al.   ; You, Rong; Xu, Zhenbo; Li, Lin;     Show all 4 Authors
Source:
Phytotherapy research 2012 v.26 no.7 pp. 1097-1102
ISSN:
0951-418X
Subject:
carbohydrate metabolism; discriminant analysis; energy metabolism; glucose; heat; herbal tea; hosts; humidity; lipid metabolism; mechanism of action; metabolomics; multivariate analysis; principal component analysis; rats; spectroscopy; temporal variation; traditional medicine
Abstract:
... Cantonese herbal tea (CHT) has been consumed in South China to alleviate feelings of discomfort due to the heat and humidity in the body according to the theory of traditional Chinese medicine (TCM). To understand the in vivo mechanism of CHT, a 1H‐NMR‐based metabonomic approach was used to investigate the global biological characterization of rat serum following the intake of CHT and to understan ...
DOI:
10.1002/ptr.3674
PubMed:
22228579

15. Adsorption mechanism of oil components on water-wet mineral surface: A molecular dynamics simulation study

Author:
Hu, Songqing,   et al.   ; Zhong, Jie; Wang, Pan; Zhang, Yang; Yan, Youguo; Zhang, Jun;     Show all 6 Authors
Source:
Energy 2013 v.59 pp. 295-300
ISSN:
0360-5442
Subject:
acetic acid; adsorption; benzene; decane; molecular dynamics; oil fields; oils; petroleum; pyridines; silica
Abstract:
... In this article, decane, methyl benzene, pyridine and acetic acid were selected as different polarity components in crude oil, and their adsorption behavior on water-wet silica surface was investigated by molecular dynamics simulation. Simulation results indicated that polar components could penetrate through water film and adsorb on silica surface, while it was difficult for apolar components. An ...
DOI:
10.1016/j.energy.2013.07.016

16. A Novel Multifunctional α-Amylase from the Thermophilic Fungus Malbranchea cinnamomea: Biochemical Characterization and Three-Dimensional Structure

Author:
Hu, Songqing,   et al.   ; Han, Peng; Zhou, Peng; Yang, Shaoqing; Yan, Qiaojuan; Jiang, Zhengqiang;     Show all 6 Authors
Source:
Applied biochemistry and biotechnology 2013 v.170 no.2 pp. 420-435
ISSN:
0273-2289
Subject:
Malbranchea; amino acid sequences; amino acids; amylopectin; complementary DNA; crystal structure; enzymes; genes; molecular weight; open reading frames; pH; polyacrylamide gel electrophoresis; pullulan; sequence homology; thermophilic fungi
Abstract:
... A novel α-amylase (McAmyA) from the thermophilic fungus, Malbranchea cinnamomea was purified, characterized and crystallized in the present study. McAmyA was purified to apparent homogeneity with a molecular mass of 60.3 kDa on SDS-PAGE. The enzyme exhibited maximal activity at pH 6.5 and was stable within pH 5.0–10.0. It was most active at 65 °C and was stable up to 50 °C. McAmyA was capable of h ...
DOI:
10.1007/s12010-013-0198-y
PubMed:
23536251

17. Flavor evaluation of yak butter in Tsinghai-Tibet Plateau and isolation of microorganisms contributing flavor

Author:
Hu, SongQing,   et al.   ; Wei, HaiLiu; Guo, ShaSha; Li, Lin; Hou, Yi;     Show all 5 Authors
Source:
Animal science journal = 2011 v.82 no.1 pp. 122-126
ISSN:
1344-3941
Subject:
Penicillium; Saccharomycetaceae; butter; flavor; food industry; foods; gas chromatography; health services; mass spectrometry; microorganisms; plateaus; yaks
Abstract:
... Yak butter in Tsinghai-Tibet Plateau possesses the characters of high energy, abundant alimentation and a special flavor with certain medical and health care functions. In this paper the organoleptic flavor of yak butter was estimated, and 28 kinds of substance with different flavors were identified with the technique of coupling gas chromatography to mass spectroscopy (GC-MS). The results showed ...
DOI:
10.1111/j.1740-0929.2010.00803.x
PubMed:
21269370

18. In Vitro Antioxidant and Antiproliferative Activities of 5-Hydroxymethylfurfural

Author:
Hu, Songqing,   et al.   ; Zhao, Ling; Chen, Jianping; Su, Jianyu; Li, Lin; Li, Bing; Zhang, Xia; Xu, Zhenbo; Chen, Tianfeng;     Show all 9 Authors
Source:
Journal of agricultural and food chemistry 2013 v.61 no.44 pp. 10604-10611
ISSN:
1520-5118
Subject:
Maillard reaction; amino acids; antioxidant activity; antioxidants; apoptosis; atomic force microscopy; cell cycle; cell proliferation; chemoprevention; enzyme activity; erythrocytes; flow cytometry; foods; free radicals; heat treatment; hemolysis; hexoses; humans; hydroxymethylfurfural; melanoma; peroxidation; reducing sugars; superoxide dismutase
Abstract:
... 5-HMF is widely presented in foods and produced through the degradation of hexoses and Maillard reaction during heat treatment of foods containing reducing sugars and amino acids in an acid environment. However, controversial conclusions on the biological effects of 5-HMF have been drawn in previous studies. Therefore, the main aim of this study was to investigate the antioxidant and antiprolifera ...
DOI:
10.1021/jf403098y
PubMed:
24107143

19. An Efficient Binary Solvent Mixture for Monoacylglycerol Synthesis by Enzymatic Glycerolysis

Author:
Hu, Songqing,   et al.   ; Zhong, Nanjing; Li, Lin; Xu, Xuebing; Cheong, Lingzhi; Li, Bing; Zhao, Xihong;     Show all 7 Authors
Source:
journal of the American Oil Chemists' Society 2009 v.86 no.8 pp. 783-789
ISSN:
0003-021X
Subject:
soybean oil; monoacylglycerols; food additives; emulsifiers; solvents; butanol; isopropyl alcohol
Abstract:
... The present study was aimed at selecting an efficient binary solvent mixture for monoacylglycerol (MAG) synthesis by enzymatic glycerolysis of soybean oil. Solvent combinations of tert-butanol/isopropanol (v/v) at different ratios were studied. Of the investigated cases, tert-butanol:isopropanol at ratio 80:20 was the most suitable organic medium. The optimum conditions for MAG synthesis under the ...
DOI:
10.1007/s11746-009-1402-7