메뉴 건너뛰기




Volumn 343, Issue 1-2, 2007, Pages 173-180

Application of molecular modelling to determine the surface energy of mannitol

Author keywords

Crystal surface; Inverse gas chromatography; Mannitol; Molecular modelling; Surface free energy

Indexed keywords

CHLOROFORM; HYDROXYL GROUP; MANNITOL; TETRAHYDROFURAN;

EID: 34548287608     PISSN: 03785173     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijpharm.2007.05.019     Document Type: Article
Times cited : (12)

References (32)
  • 1
    • 0343036139 scopus 로고    scopus 로고
    • Predicting mixing performance using surface energy measurements
    • Ahfat N.M., Buckton G., Burrows R., and Ticehurst M.D. Predicting mixing performance using surface energy measurements. Int. J. Pharm. 156 (1997) 89-95
    • (1997) Int. J. Pharm. , vol.156 , pp. 89-95
    • Ahfat, N.M.1    Buckton, G.2    Burrows, R.3    Ticehurst, M.D.4
  • 2
    • 0031645193 scopus 로고    scopus 로고
    • A model of the surface of oxidatively treated carbon fibre based on calculations of adsorption interactions with small molecules
    • Allington R.D., Attwood D., Hamerton I., Hay J.N., and Howlin B.J. A model of the surface of oxidatively treated carbon fibre based on calculations of adsorption interactions with small molecules. Composites: Part A 29A (1998) 1283-1290
    • (1998) Composites: Part A , vol.29 A , pp. 1283-1290
    • Allington, R.D.1    Attwood, D.2    Hamerton, I.3    Hay, J.N.4    Howlin, B.J.5
  • 3
    • 2942676888 scopus 로고    scopus 로고
    • Developing improved models of oxidatively treated carbon fibre surfaces, using molecular simulation
    • Allington R.D., Attwood D., Hamerton I., Hay J.N., and Howlin B.J. Developing improved models of oxidatively treated carbon fibre surfaces, using molecular simulation. Composites: Part A 35 (2004) 1161-1173
    • (2004) Composites: Part A , vol.35 , pp. 1161-1173
    • Allington, R.D.1    Attwood, D.2    Hamerton, I.3    Hay, J.N.4    Howlin, B.J.5
  • 4
    • 0014415633 scopus 로고
    • The crystal structures of the R' and B forms of D-Mannitol
    • Berman H.M., Jeffrey G.A., and Rosentein R.D. The crystal structures of the R' and B forms of D-Mannitol. Acta. Crystallogr. B24 (1968) 442-449
    • (1968) Acta. Crystallogr. , vol.B24 , pp. 442-449
    • Berman, H.M.1    Jeffrey, G.A.2    Rosentein, R.D.3
  • 5
    • 0026639370 scopus 로고
    • The estimation and application of surface energy data for powdered systems
    • Buckton G. The estimation and application of surface energy data for powdered systems. Drug Dev. Ind. Pharm. 18 (1992) 1149-1167
    • (1992) Drug Dev. Ind. Pharm. , vol.18 , pp. 1149-1167
    • Buckton, G.1
  • 6
    • 0029251114 scopus 로고
    • The extent of errors associated with contact angles.3. The influence of surface-roughness effects on angles measured using a Wilhelmy plate technique for powders
    • Buckton G., Darcy P., and Mccarthy D.M. The extent of errors associated with contact angles.3. The influence of surface-roughness effects on angles measured using a Wilhelmy plate technique for powders. Colloid. Surf. A. 95 (1995) 27-35
    • (1995) Colloid. Surf. A. , vol.95 , pp. 27-35
    • Buckton, G.1    Darcy, P.2    Mccarthy, D.M.3
  • 7
    • 0035998951 scopus 로고    scopus 로고
    • Theoretical and experimental investigations on the morphology and pharmaceutical crystals
    • Coombes D.S., Catlow C.R.A., Gale J.D., Hardy M.J., and Saunders M.R. Theoretical and experimental investigations on the morphology and pharmaceutical crystals. J. Pharm. Sci. 91 (2002) 1652-1658
    • (2002) J. Pharm. Sci. , vol.91 , pp. 1652-1658
    • Coombes, D.S.1    Catlow, C.R.A.2    Gale, J.D.3    Hardy, M.J.4    Saunders, M.R.5
  • 9
    • 0242663957 scopus 로고    scopus 로고
    • Three polymorphs (alpha, beta and delta) of D-Mannitol at 100 K
    • Fronczek F.R., Kamel H.N., and Slattery M. Three polymorphs (alpha, beta and delta) of D-Mannitol at 100 K. Acta Crystallogr. C 59 (2003) 567-570
    • (2003) Acta Crystallogr. C , vol.59 , pp. 567-570
    • Fronczek, F.R.1    Kamel, H.N.2    Slattery, M.3
  • 10
    • 33646072475 scopus 로고    scopus 로고
    • The interaction of organic dispersant with alumina: a molecular modelling approach
    • Gocmez H. The interaction of organic dispersant with alumina: a molecular modelling approach. Ceram. Int. 32 (2006) 521-525
    • (2006) Ceram. Int. , vol.32 , pp. 521-525
    • Gocmez, H.1
  • 11
    • 0032757807 scopus 로고    scopus 로고
    • Interpretation of the differences in the surface energetics of two optical forms of mannitol by inverse gas chromatography and molecular modelling
    • Grimsey I.M., Sunkersett M., Osborn J.C., York P., and Rowe R.C. Interpretation of the differences in the surface energetics of two optical forms of mannitol by inverse gas chromatography and molecular modelling. Int. J. Pharm. 191 (1999) 43-50
    • (1999) Int. J. Pharm. , vol.191 , pp. 43-50
    • Grimsey, I.M.1    Sunkersett, M.2    Osborn, J.C.3    York, P.4    Rowe, R.C.5
  • 12
    • 0037031579 scopus 로고    scopus 로고
    • The application of molecular modelling to the interpretation of inverse gas chromatography data
    • Grimsey I.M., Osborn J.C., Doughty S.W., York P., and Rowe R.C. The application of molecular modelling to the interpretation of inverse gas chromatography data. J. Chromatogr. A 969 (2002) 49-57
    • (2002) J. Chromatogr. A , vol.969 , pp. 49-57
    • Grimsey, I.M.1    Osborn, J.C.2    Doughty, S.W.3    York, P.4    Rowe, R.C.5
  • 13
    • 0001056869 scopus 로고    scopus 로고
    • 6: crystal growth, structure, basic physical properties, birefringence, optical activity, Faraday effect, electro-optic effects and model calculations
    • 6: crystal growth, structure, basic physical properties, birefringence, optical activity, Faraday effect, electro-optic effects and model calculations. Zeitschrift Fur Kristallographie 212 (1997) 283-296
    • (1997) Zeitschrift Fur Kristallographie , vol.212 , pp. 283-296
    • Kaminsky, W.1    Glazer, A.M.2
  • 14
    • 0010323671 scopus 로고
    • Crystal and molecular-structure of D-L-Mannitol at -150 °C
    • Kanters J.A., Roelofsen G., and Smits D. Crystal and molecular-structure of D-L-Mannitol at -150 °C. Acta Crystallogr. B 33 (1977) 3635-3640
    • (1977) Acta Crystallogr. B , vol.33 , pp. 3635-3640
    • Kanters, J.A.1    Roelofsen, G.2    Smits, D.3
  • 15
    • 0025858523 scopus 로고
    • Calculation and display of electrostatic potentials
    • Kendrick J., and Fox M. Calculation and display of electrostatic potentials. J. Mol. Graphics 9 (1991) 182-187
    • (1991) J. Mol. Graphics , vol.9 , pp. 182-187
    • Kendrick, J.1    Fox, M.2
  • 16
    • 0001329294 scopus 로고
    • The crystal structure of the K form of D-Mannitol
    • Kim H.S., Jeffrey G.A., and Rosenstein R.D. The crystal structure of the K form of D-Mannitol. Acta Cryst. B24 (1968) 1449-1455
    • (1968) Acta Cryst. , vol.B24 , pp. 1449-1455
    • Kim, H.S.1    Jeffrey, G.A.2    Rosenstein, R.D.3
  • 17
    • 0022643234 scopus 로고
    • Correlation Between wettability and dissolution rate of pharmaceutical powders
    • Lippold B.C., and Ohm A. Correlation Between wettability and dissolution rate of pharmaceutical powders. Int. J. Pharm. 28 (1986) 67-74
    • (1986) Int. J. Pharm. , vol.28 , pp. 67-74
    • Lippold, B.C.1    Ohm, A.2
  • 18
    • 9144240095 scopus 로고
    • Dreiding-a generic force-field for molecular simulations
    • Mayo S.L., Olafson B.D., and Goddard W.A. Dreiding-a generic force-field for molecular simulations. J. Phys. Chem. 94 (1990) 8897-8909
    • (1990) J. Phys. Chem. , vol.94 , pp. 8897-8909
    • Mayo, S.L.1    Olafson, B.D.2    Goddard, W.A.3
  • 20
    • 0026766696 scopus 로고
    • The use of surface energy and polarity determinations to predict physical stability of non-polar, non-aqueous suspensions
    • Parsons G.E., Buckton G., and Chatham S.M. The use of surface energy and polarity determinations to predict physical stability of non-polar, non-aqueous suspensions. Int. J. Pharm. 83 (1992) 163-170
    • (1992) Int. J. Pharm. , vol.83 , pp. 163-170
    • Parsons, G.E.1    Buckton, G.2    Chatham, S.M.3
  • 21
    • 0037062641 scopus 로고    scopus 로고
    • Design of tailor-made surfactants for industrial applications using a molecular modelling approach.
    • Pradip R.B. Design of tailor-made surfactants for industrial applications using a molecular modelling approach. Colloids Surf. A: Physicochem. Eng. Aspects 205 (2002) 139-148
    • (2002) Colloids Surf. A: Physicochem. Eng. Aspects , vol.205 , pp. 139-148
    • Pradip, R.B.1
  • 23
    • 0141459273 scopus 로고    scopus 로고
    • Molecular modelling and rational design of flotation reagents
    • Pradip R.B. Molecular modelling and rational design of flotation reagents. Int. J. Mineral Process. 72 (2003) 95-110
    • (2003) Int. J. Mineral Process. , vol.72 , pp. 95-110
    • Pradip, R.B.1
  • 24
    • 0000632344 scopus 로고
    • Adhesion of film coatings to tablet surfaces - a theoretical approach based on solubility parameters
    • Rowe R.C. Adhesion of film coatings to tablet surfaces - a theoretical approach based on solubility parameters. Int. J. Pharm. 41 (1988) 219-222
    • (1988) Int. J. Pharm. , vol.41 , pp. 219-222
    • Rowe, R.C.1
  • 25
    • 0003212363 scopus 로고
    • Interfacial properties of carbon-fiber epoxy matrix composites
    • Schultz J., and Lavielle L. Interfacial properties of carbon-fiber epoxy matrix composites. Acs Symposium Series (1989) 391185-391202
    • (1989) Acs Symposium Series , pp. 391185-391202
    • Schultz, J.1    Lavielle, L.2
  • 26
    • 0022150907 scopus 로고
    • Ordered mixing or spontaneous granulation
    • Staniforth J.N. Ordered mixing or spontaneous granulation. Powder Technol. 45 (1985) 73-77
    • (1985) Powder Technol. , vol.45 , pp. 73-77
    • Staniforth, J.N.1
  • 27
    • 33645025427 scopus 로고    scopus 로고
    • Measurement of the Surface energy of lubricated pharmaceutical powders by inverse gas chromatography
    • Swaminathan V., Cobb J., and Saracovan I. Measurement of the Surface energy of lubricated pharmaceutical powders by inverse gas chromatography. Int. J. Pharm. 312 (2006) 158-165
    • (2006) Int. J. Pharm. , vol.312 , pp. 158-165
    • Swaminathan, V.1    Cobb, J.2    Saracovan, I.3
  • 28
    • 0028021579 scopus 로고
    • Determination of the surface-properties of 2 batches of salbutamol sulfate by inverse gas-chromatography
    • Ticehurst M.D., Rowe R.C., and York P. Determination of the surface-properties of 2 batches of salbutamol sulfate by inverse gas-chromatography. Int. J. Pharm. 111 (1994) 241-249
    • (1994) Int. J. Pharm. , vol.111 , pp. 241-249
    • Ticehurst, M.D.1    Rowe, R.C.2    York, P.3
  • 29
    • 33745426925 scopus 로고    scopus 로고
    • The use of AFM and surface energy measurement to investigate drug-canister material interactions in a model pressurized dose inhaler formulation
    • Traini D., Young P.M., Rogueda P., and Price R. The use of AFM and surface energy measurement to investigate drug-canister material interactions in a model pressurized dose inhaler formulation. Aerosol Sci. Technol. 40 (2006) 227-236
    • (2006) Aerosol Sci. Technol. , vol.40 , pp. 227-236
    • Traini, D.1    Young, P.M.2    Rogueda, P.3    Price, R.4
  • 30
    • 33645780228 scopus 로고    scopus 로고
    • Molecular dynamics modelling of adsorption of hedp on calcite surface
    • Xu J. Molecular dynamics modelling of adsorption of hedp on calcite surface. Acta Phys. Sinica 55 (2006) 1107-1112
    • (2006) Acta Phys. Sinica , vol.55 , pp. 1107-1112
    • Xu, J.1
  • 31
    • 0031733664 scopus 로고    scopus 로고
    • Characterisation of the surface energetics of milled dl-propranolol hydrochloride using inverse gas chromatography and molecular modelling
    • York P., Ticehurst M.D., Osborn J.C., Roberts R.J., and Rowe R.C. Characterisation of the surface energetics of milled dl-propranolol hydrochloride using inverse gas chromatography and molecular modelling. Int. J. Pharm. 174 (1998) 179-186
    • (1998) Int. J. Pharm. , vol.174 , pp. 179-186
    • York, P.1    Ticehurst, M.D.2    Osborn, J.C.3    Roberts, R.J.4    Rowe, R.C.5
  • 32
    • 0025362776 scopus 로고
    • Particle growth in aqueous suspensions-the influence of surface-energy and polarity
    • Young S.A., and Buckton G. Particle growth in aqueous suspensions-the influence of surface-energy and polarity. Int. J. Pharm. 60 (1990) 235-241
    • (1990) Int. J. Pharm. , vol.60 , pp. 235-241
    • Young, S.A.1    Buckton, G.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.