Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments

被引：513
作者：
Rimola, Albert [1 ]
Costa, Dominique [2 ]
Sodupe, Mariona [1 ]
Lambert, Jean-Francois [3 ]
Ugliengo, Piero [4 ]
机构：
[1] Univ Autonoma Barcelona, Dept Quim, Bellaterra 08193, Cerdanyola Del, Spain
[2] Chim ParisTech, Lab Physicochim Surfaces, UMR CNRS ENSCP 7045, Ecole Natl Super Chim Paris, F-75005 Paris, France
[3] Univ Paris 06, Lab React Surface, UMR CNRS 7197, F-94200 Ivry, France
[4] Univ Turin, Dipartimento Chim, I-10125 Turin, Italy
来源：
CHEMICAL REVIEWS | 2013年 / 113卷 / 06期
关键词：
DENSITY-FUNCTIONAL-THEORY; 1ST-PRINCIPLES MOLECULAR-DYNAMICS; AB-INITIO CALCULATIONS; AMINO-ACID ADSORPTION; SUM-FREQUENCY GENERATION; ATOMIC-FORCE MICROSCOPY; METAL-OXIDE SURFACES; ELECTRON-PARAMAGNETIC-RESONANCE; TRANSFORM INFRARED-SPECTROSCOPY; ORDERED MESOPOROUS MATERIALS;
D O I：
10.1021/cr3003054
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
[No abstract available]
引用
收藏
页码：4216 / 4313
页数：98
相关论文
共 736 条
  • [81] Evidence for interfacial molecular recognition in transition metal complexes adsorption on amorphous silica surfaces
    Boujday, S
    Lambert, JF
    Che, M
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2003, 107 (03) : 651 - 654
  • [82] Boujday S., 2002, THESIS UPMC PARIS 6
  • [83] Molecular Dynamics Simulations of Water Structure and Diffusion in Silica Nanopores
    Bourg, Ian C.
    Steefel, Carl I.
    [J]. JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 116 (21) : 11556 - 11564
  • [84] CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
    BOYS, SF
    BERNARDI, F
    [J]. MOLECULAR PHYSICS, 1970, 19 (04) : 553 - &
  • [85] A systematic failing of current density functionals:: Overestimation of two-center three-electron bonding energies
    Braïda, B
    Hiberty, PC
    Savin, A
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (40) : 7872 - 7877
  • [86] The distribution of silanols on the amorphous silica surface: a Monte Carlo simulation
    Branda, MM
    Montani, RA
    Castellani, NJ
    [J]. SURFACE SCIENCE, 2000, 446 (1-2) : L89 - L94
  • [87] Biofilms:: the matrix revisited
    Branda, SS
    Vik, Å
    Friedman, L
    Kolter, R
    [J]. TRENDS IN MICROBIOLOGY, 2005, 13 (01) : 20 - 26
  • [88] Acidity differences between inorganic solids induced by their framework structure.: A combined quantum mechanics molecular mechanics ab initio study on zeolites
    Brändle, M
    Sauer, J
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (07) : 1556 - 1570
  • [89] SURFACE-STRUCTURE AND CHEMISTRY OF HIGH SURFACE-AREA SILICA-GELS
    BRINKER, CJ
    BROW, RK
    TALLANT, DR
    KIRKPATRICK, RJ
    [J]. JOURNAL OF NON-CRYSTALLINE SOLIDS, 1990, 120 (1-3) : 26 - 33
  • [90] CHARMM: The Biomolecular Simulation Program
    Brooks, B. R.
    Brooks, C. L., III
    Mackerell, A. D., Jr.
    Nilsson, L.
    Petrella, R. J.
    Roux, B.
    Won, Y.
    Archontis, G.
    Bartels, C.
    Boresch, S.
    Caflisch, A.
    Caves, L.
    Cui, Q.
    Dinner, A. R.
    Feig, M.
    Fischer, S.
    Gao, J.
    Hodoscek, M.
    Im, W.
    Kuczera, K.
    Lazaridis, T.
    Ma, J.
    Ovchinnikov, V.
    Paci, E.
    Pastor, R. W.
    Post, C. B.
    Pu, J. Z.
    Schaefer, M.
    Tidor, B.
    Venable, R. M.
    Woodcock, H. L.
    Wu, X.
    Yang, W.
    York, D. M.
    Karplus, M.
    [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 2009, 30 (10) : 1545 - 1614
45678910111213