TY  - JOUR
AU  - Kolasinac, Nemanja
AU  - Kachrimanis, Kyriakos
AU  - Đuriš, Jelena
AU  - Homšek, Irena
AU  - Grujić, Branka
AU  - Ibrić, Svetlana
PY  - 2013
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1989
AB  - Solid dispersion systems have been widely used to enhance dissolution rate and oral bioavailability of poorly water-soluble drugs. However, the formulation process development and scale-up present a number of difficulties which has greatly limited their commercial applications. In this study, solid dispersions (SDs) of desloratadine (DSL) with povidone (PVP) and crospovidone (cPVP) were prepared by spray coating technique. The process involved the spray application of 96% ethanol solution of DSL and PVP/cPVP, and subsequent deposition of the coprecipitates onto microcrystalline cellulose pellets during drying by air flow in a mini spray coater. The results from the present study demonstrated that the spray coating process is efficient in preparing SDs with enhanced drug dissolution rate and it is highly efficient in organic solvent removal. Both PVP and cPVP greatly improved drug dissolution rate by SDs, with PVP showing better solubilization capability. Very fast drug dissolution rate is achieved from SDs containing PVP regardless of differences in K grade. SD with smaller particles of cPVP have higher drug dissolution rate in comparison to the cPVP with larger particles. Results from physical state characterization indicate that DSL in SDs exist in the amorphous (high free-energy) state which is probably stabilized by PVP/cPVP. After 6-month accelerated stability study, DSL remains amorphous, while PVP and cPVP act as anti-plasticizing agents, offering efficient steric hindrance for nucleation and crystal growth.
PB  - Taylor & Francis Ltd, Abingdon
T2  - Drug Development and Industrial Pharmacy
T1  - Spray coating as a powerful technique in preparation of solid dispersions with enhanced desloratadine dissolution rate
VL  - 39
IS  - 7
SP  - 1020
EP  - 1027
DO  - 10.3109/03639045.2012.694890
ER  - 

@article{
author = "Kolasinac, Nemanja and Kachrimanis, Kyriakos and Đuriš, Jelena and Homšek, Irena and Grujić, Branka and Ibrić, Svetlana",
year = "2013",
abstract = "Solid dispersion systems have been widely used to enhance dissolution rate and oral bioavailability of poorly water-soluble drugs. However, the formulation process development and scale-up present a number of difficulties which has greatly limited their commercial applications. In this study, solid dispersions (SDs) of desloratadine (DSL) with povidone (PVP) and crospovidone (cPVP) were prepared by spray coating technique. The process involved the spray application of 96% ethanol solution of DSL and PVP/cPVP, and subsequent deposition of the coprecipitates onto microcrystalline cellulose pellets during drying by air flow in a mini spray coater. The results from the present study demonstrated that the spray coating process is efficient in preparing SDs with enhanced drug dissolution rate and it is highly efficient in organic solvent removal. Both PVP and cPVP greatly improved drug dissolution rate by SDs, with PVP showing better solubilization capability. Very fast drug dissolution rate is achieved from SDs containing PVP regardless of differences in K grade. SD with smaller particles of cPVP have higher drug dissolution rate in comparison to the cPVP with larger particles. Results from physical state characterization indicate that DSL in SDs exist in the amorphous (high free-energy) state which is probably stabilized by PVP/cPVP. After 6-month accelerated stability study, DSL remains amorphous, while PVP and cPVP act as anti-plasticizing agents, offering efficient steric hindrance for nucleation and crystal growth.",
publisher = "Taylor & Francis Ltd, Abingdon",
journal = "Drug Development and Industrial Pharmacy",
title = "Spray coating as a powerful technique in preparation of solid dispersions with enhanced desloratadine dissolution rate",
volume = "39",
number = "7",
pages = "1020-1027",
doi = "10.3109/03639045.2012.694890"
}

Kolasinac, N., Kachrimanis, K., Đuriš, J., Homšek, I., Grujić, B.,& Ibrić, S.. (2013). Spray coating as a powerful technique in preparation of solid dispersions with enhanced desloratadine dissolution rate. in Drug Development and Industrial Pharmacy
Taylor & Francis Ltd, Abingdon., 39(7), 1020-1027.
https://doi.org/10.3109/03639045.2012.694890

Kolasinac N, Kachrimanis K, Đuriš J, Homšek I, Grujić B, Ibrić S. Spray coating as a powerful technique in preparation of solid dispersions with enhanced desloratadine dissolution rate. in Drug Development and Industrial Pharmacy. 2013;39(7):1020-1027.
doi:10.3109/03639045.2012.694890 .

Kolasinac, Nemanja, Kachrimanis, Kyriakos, Đuriš, Jelena, Homšek, Irena, Grujić, Branka, Ibrić, Svetlana, "Spray coating as a powerful technique in preparation of solid dispersions with enhanced desloratadine dissolution rate" in Drug Development and Industrial Pharmacy, 39, no. 7 (2013):1020-1027,
https://doi.org/10.3109/03639045.2012.694890 . .

TY  - JOUR
AU  - Kolasinac, Nemanja
AU  - Kachrimanis, Kyriakos
AU  - Homšek, Irena
AU  - Grujić, Branka
AU  - Đurić, Zorica
AU  - Ibrić, Svetlana
PY  - 2012
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1640
AB  - The present study investigates the possibility of using poloxamers as solubility and dissolution rate enhancing agents of the poorly water soluble drug substance desloratadine that can be used for the preparation of immediate release tablet formulation. Two commercially available poloxamer grades (poloxamer P 188 and poloxamer P 407) were selected, and solid dispersions (SDs) containing different weight ratio of poloxamers and desloratadine were prepared by a low temperature melting method. All SDs were subjected to basic physicochemical characterization by thermal and vibrational spectroscopy methods in order to evaluate the efficiency of poloxamers as solubility enhancers. Immediate release tablets were prepared by direct compression of powdered solid dispersions according to a General Factorial Design, in order to evaluate the statistical significance of two formulation (X-1 - type of poloxamer in SD and X-2 - poloxamer ratio in SD) and one process variable (X-3 - compression force) on the drug dissolution rate. It was found that desloratadine in SDs existed in the amorphous state, and that can be largely responsible for the enhanced intrinsic solubility, which was more pronounced in SDs containing poloxamer 188. Statistical analysis of the factorial design revealed that both investigated formulation variables exert a significant effect on the drug dissolution rate. Increased poloxamer ratio in SDs resulted in increased drug dissolution rate, with poloxamer 188 contributing to a faster dissolution rate than poloxamer 407, in accordance with the results of intrinsic dissolution tests. Moreover, there is a significant interaction between poloxamer ratio in SD and compression force. Higher poloxamer ratio in SDs and higher compression force results in a significant decrease of the drug dissolution rate, which can be attributed to the lower porosity of the tablets and more pronounced bonding between poloxamer particles.
PB  - Elsevier Science BV, Amsterdam
T2  - International Journal of Pharmaceutics
T1  - Solubility enhancement of desloratadine by solid dispersion in poloxamers
VL  - 436
IS  - 1-2
SP  - 161
EP  - 170
DO  - 10.1016/j.ijpharm.2012.06.060
ER  - 

@article{
author = "Kolasinac, Nemanja and Kachrimanis, Kyriakos and Homšek, Irena and Grujić, Branka and Đurić, Zorica and Ibrić, Svetlana",
year = "2012",
abstract = "The present study investigates the possibility of using poloxamers as solubility and dissolution rate enhancing agents of the poorly water soluble drug substance desloratadine that can be used for the preparation of immediate release tablet formulation. Two commercially available poloxamer grades (poloxamer P 188 and poloxamer P 407) were selected, and solid dispersions (SDs) containing different weight ratio of poloxamers and desloratadine were prepared by a low temperature melting method. All SDs were subjected to basic physicochemical characterization by thermal and vibrational spectroscopy methods in order to evaluate the efficiency of poloxamers as solubility enhancers. Immediate release tablets were prepared by direct compression of powdered solid dispersions according to a General Factorial Design, in order to evaluate the statistical significance of two formulation (X-1 - type of poloxamer in SD and X-2 - poloxamer ratio in SD) and one process variable (X-3 - compression force) on the drug dissolution rate. It was found that desloratadine in SDs existed in the amorphous state, and that can be largely responsible for the enhanced intrinsic solubility, which was more pronounced in SDs containing poloxamer 188. Statistical analysis of the factorial design revealed that both investigated formulation variables exert a significant effect on the drug dissolution rate. Increased poloxamer ratio in SDs resulted in increased drug dissolution rate, with poloxamer 188 contributing to a faster dissolution rate than poloxamer 407, in accordance with the results of intrinsic dissolution tests. Moreover, there is a significant interaction between poloxamer ratio in SD and compression force. Higher poloxamer ratio in SDs and higher compression force results in a significant decrease of the drug dissolution rate, which can be attributed to the lower porosity of the tablets and more pronounced bonding between poloxamer particles.",
publisher = "Elsevier Science BV, Amsterdam",
journal = "International Journal of Pharmaceutics",
title = "Solubility enhancement of desloratadine by solid dispersion in poloxamers",
volume = "436",
number = "1-2",
pages = "161-170",
doi = "10.1016/j.ijpharm.2012.06.060"
}

Kolasinac, N., Kachrimanis, K., Homšek, I., Grujić, B., Đurić, Z.,& Ibrić, S.. (2012). Solubility enhancement of desloratadine by solid dispersion in poloxamers. in International Journal of Pharmaceutics
Elsevier Science BV, Amsterdam., 436(1-2), 161-170.
https://doi.org/10.1016/j.ijpharm.2012.06.060

Kolasinac N, Kachrimanis K, Homšek I, Grujić B, Đurić Z, Ibrić S. Solubility enhancement of desloratadine by solid dispersion in poloxamers. in International Journal of Pharmaceutics. 2012;436(1-2):161-170.
doi:10.1016/j.ijpharm.2012.06.060 .

Kolasinac, Nemanja, Kachrimanis, Kyriakos, Homšek, Irena, Grujić, Branka, Đurić, Zorica, Ibrić, Svetlana, "Solubility enhancement of desloratadine by solid dispersion in poloxamers" in International Journal of Pharmaceutics, 436, no. 1-2 (2012):161-170,
https://doi.org/10.1016/j.ijpharm.2012.06.060 . .

TY  - JOUR
AU  - Chansanroj, Krisanin
AU  - Petrović, Jelena
AU  - Ibrić, Svetlana
AU  - Betz, Gabriele
PY  - 2011
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1504
AB  - Artificial neural networks (ANNs) were applied for system understanding and prediction of drug release properties from direct compacted matrix tablets using sucrose esters (SEs) as matrix-forming agents for controlled release of a highly water soluble drug, metoprolol tartrate. Complexity of the system was presented through the effects of SE concentration and tablet porosity at various hydrophilic-lipophilic balance (HLB) values of SEs ranging from 0 to 16. Both effects contributed to release behaviors especially in the system containing hydrophilic SEs where swelling phenomena occurred. A self-organizing map neural network (SOM) was applied for visualizing interrelation among the variables and multilayer perceptron neural networks (MLPs) were employed to generalize the system and predict the drug release properties based on HLB value and concentration of SEs and tablet properties, i.e., tablet porosity, volume and tensile strength. Accurate prediction was obtained after systematically optimizing network performance based on learning algorithm of MLP. Drug release was mainly attributed to the effects of SEs, tablet volume and tensile strength in multi-dimensional interrelation whereas tablet porosity gave a small impact. Ability of system generalization and accurate prediction of the drug release properties proves the validity of SOM and MLPs for the formulation modeling of direct compacted matrix tablets containing controlled release agents of different material properties.
PB  - Elsevier Science BV, Amsterdam
T2  - European Journal of Pharmaceutical Sciences
T1  - Drug release control and system understanding of sucrose esters matrix tablets by artificial neural networks
VL  - 44
IS  - 3
SP  - 321
EP  - 331
DO  - 10.1016/j.ejps.2011.08.012
ER  - 

@article{
author = "Chansanroj, Krisanin and Petrović, Jelena and Ibrić, Svetlana and Betz, Gabriele",
year = "2011",
abstract = "Artificial neural networks (ANNs) were applied for system understanding and prediction of drug release properties from direct compacted matrix tablets using sucrose esters (SEs) as matrix-forming agents for controlled release of a highly water soluble drug, metoprolol tartrate. Complexity of the system was presented through the effects of SE concentration and tablet porosity at various hydrophilic-lipophilic balance (HLB) values of SEs ranging from 0 to 16. Both effects contributed to release behaviors especially in the system containing hydrophilic SEs where swelling phenomena occurred. A self-organizing map neural network (SOM) was applied for visualizing interrelation among the variables and multilayer perceptron neural networks (MLPs) were employed to generalize the system and predict the drug release properties based on HLB value and concentration of SEs and tablet properties, i.e., tablet porosity, volume and tensile strength. Accurate prediction was obtained after systematically optimizing network performance based on learning algorithm of MLP. Drug release was mainly attributed to the effects of SEs, tablet volume and tensile strength in multi-dimensional interrelation whereas tablet porosity gave a small impact. Ability of system generalization and accurate prediction of the drug release properties proves the validity of SOM and MLPs for the formulation modeling of direct compacted matrix tablets containing controlled release agents of different material properties.",
publisher = "Elsevier Science BV, Amsterdam",
journal = "European Journal of Pharmaceutical Sciences",
title = "Drug release control and system understanding of sucrose esters matrix tablets by artificial neural networks",
volume = "44",
number = "3",
pages = "321-331",
doi = "10.1016/j.ejps.2011.08.012"
}

Chansanroj, K., Petrović, J., Ibrić, S.,& Betz, G.. (2011). Drug release control and system understanding of sucrose esters matrix tablets by artificial neural networks. in European Journal of Pharmaceutical Sciences
Elsevier Science BV, Amsterdam., 44(3), 321-331.
https://doi.org/10.1016/j.ejps.2011.08.012

Chansanroj K, Petrović J, Ibrić S, Betz G. Drug release control and system understanding of sucrose esters matrix tablets by artificial neural networks. in European Journal of Pharmaceutical Sciences. 2011;44(3):321-331.
doi:10.1016/j.ejps.2011.08.012 .

Chansanroj, Krisanin, Petrović, Jelena, Ibrić, Svetlana, Betz, Gabriele, "Drug release control and system understanding of sucrose esters matrix tablets by artificial neural networks" in European Journal of Pharmaceutical Sciences, 44, no. 3 (2011):321-331,
https://doi.org/10.1016/j.ejps.2011.08.012 . .

TY  - JOUR
AU  - Krajišnik, Danina
AU  - Daković, Aleksandra
AU  - Milojević, Maja
AU  - Malenović, Anđelija
AU  - Kragović, Milan
AU  - Bajuk-Bogdanović, Danica
AU  - Dondur, Vera
AU  - Milić, Jela
PY  - 2011
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1541
AB  - In this study an investigation of a model drug sorption onto cationic surfactant-modified natural zeolites as a drug formulation excipient was performed. Natural zeolite was modified with cetylpyridinium chloride in amounts equivalent to 100, 200 and 300% of its external cation-exchange capacity. The starting material and obtained organozeolites were characterized by Fourier transform infrared spectroscopy, zeta potential measurements and thermal analysis. In vitro sorption of diclofenac sodium as a model drug was studied for all surfactant/zeolite composites by means of sorption isotherm measurements in aqueous solutions (pH 7.4). The modified zeolites with three levels of surfactant coverage within the short activation time were prepared. Zeta potential measurements and thermal analysis showed that when the surfactant loading level was equal to external cation-exchange value, almost monolayer of organic phase were present at the zeolitic surface while higher amounts of surfactant produced less extended bilayers, ordered bilayers or admicelles at the zeolitic surface. Modified zeolites, obtained in this manner, were effective in diclofenac sodium sorption and the organic phase derived from adsorbed cetylpyridinium chloride was the primary sorption phase for the model drug. The Langmuir isotherm was found to describe the equilibrium sorption data well over the entire concentration range. The separate contributions of the adsorption and partition to the total sorption of DS were analyzed mathematically. Results revealed that that adsorption and partitioning of the model drug take place simultaneously.
PB  - Elsevier Science BV, Amsterdam
T2  - Colloids and Surfaces B: Biointerfaces
T1  - Properties of diclofenac sodium sorption onto natural zeolite modified with cetylpyridinium chloride
VL  - 83
IS  - 1
SP  - 165
EP  - 172
DO  - 10.1016/j.colsurfb.2010.11.024
ER  - 

@article{
author = "Krajišnik, Danina and Daković, Aleksandra and Milojević, Maja and Malenović, Anđelija and Kragović, Milan and Bajuk-Bogdanović, Danica and Dondur, Vera and Milić, Jela",
year = "2011",
abstract = "In this study an investigation of a model drug sorption onto cationic surfactant-modified natural zeolites as a drug formulation excipient was performed. Natural zeolite was modified with cetylpyridinium chloride in amounts equivalent to 100, 200 and 300% of its external cation-exchange capacity. The starting material and obtained organozeolites were characterized by Fourier transform infrared spectroscopy, zeta potential measurements and thermal analysis. In vitro sorption of diclofenac sodium as a model drug was studied for all surfactant/zeolite composites by means of sorption isotherm measurements in aqueous solutions (pH 7.4). The modified zeolites with three levels of surfactant coverage within the short activation time were prepared. Zeta potential measurements and thermal analysis showed that when the surfactant loading level was equal to external cation-exchange value, almost monolayer of organic phase were present at the zeolitic surface while higher amounts of surfactant produced less extended bilayers, ordered bilayers or admicelles at the zeolitic surface. Modified zeolites, obtained in this manner, were effective in diclofenac sodium sorption and the organic phase derived from adsorbed cetylpyridinium chloride was the primary sorption phase for the model drug. The Langmuir isotherm was found to describe the equilibrium sorption data well over the entire concentration range. The separate contributions of the adsorption and partition to the total sorption of DS were analyzed mathematically. Results revealed that that adsorption and partitioning of the model drug take place simultaneously.",
publisher = "Elsevier Science BV, Amsterdam",
journal = "Colloids and Surfaces B: Biointerfaces",
title = "Properties of diclofenac sodium sorption onto natural zeolite modified with cetylpyridinium chloride",
volume = "83",
number = "1",
pages = "165-172",
doi = "10.1016/j.colsurfb.2010.11.024"
}

Krajišnik, D., Daković, A., Milojević, M., Malenović, A., Kragović, M., Bajuk-Bogdanović, D., Dondur, V.,& Milić, J.. (2011). Properties of diclofenac sodium sorption onto natural zeolite modified with cetylpyridinium chloride. in Colloids and Surfaces B: Biointerfaces
Elsevier Science BV, Amsterdam., 83(1), 165-172.
https://doi.org/10.1016/j.colsurfb.2010.11.024

Krajišnik D, Daković A, Milojević M, Malenović A, Kragović M, Bajuk-Bogdanović D, Dondur V, Milić J. Properties of diclofenac sodium sorption onto natural zeolite modified with cetylpyridinium chloride. in Colloids and Surfaces B: Biointerfaces. 2011;83(1):165-172.
doi:10.1016/j.colsurfb.2010.11.024 .

Krajišnik, Danina, Daković, Aleksandra, Milojević, Maja, Malenović, Anđelija, Kragović, Milan, Bajuk-Bogdanović, Danica, Dondur, Vera, Milić, Jela, "Properties of diclofenac sodium sorption onto natural zeolite modified with cetylpyridinium chloride" in Colloids and Surfaces B: Biointerfaces, 83, no. 1 (2011):165-172,
https://doi.org/10.1016/j.colsurfb.2010.11.024 . .

TY  - JOUR
AU  - Kovacević, Ivan
AU  - Parojčić, Jelena
AU  - Homšek, Irena
AU  - Tubić-Grozdanis, Marija
AU  - Langguth, Peter
PY  - 2009
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1252
AB  - The aim of the present study was to use gastrointestinal simulation technology and in vitro-in vivo correlation (IVIVC) as tools to investigate a possible extension of biowaiver criteria to BCS class II drugs using carbamazepine (CBZ) as a candidate compound. Gastrointestinal simulation based on the advanced compartmental absorption and transit model implemented in GastroPlus was used. Actual in vitro and in vivo data generated in CBZ bioequivalence studies were used for correlation purposes. The simulated plasma profile, based on the CBZ physicochemical and pharmacokinetic properties, was almost identical with that observed in vivo. Parameter sensitivity analysis (PSA) indicated that the percent of drug absorbed is relatively insensitive to the variation of the input parameters. Additionally, plasma concentration-time profiles were simulated based on dissolution profiles observed under the different experimental conditions. Regardless of the differences observed in vitro, the predicted pharmacokinetic profiles were similar in the extent of drug exposure (AUC) while there were certain differences in parameters defining the drug absorption rate (C-max, t(max)). High level A IVIVC was established for the pooled data set (r = 0.9624), indicating that 1% SLS may be considered as the universal biorelevant dissolution medium for both the IR and CR CBZ tablets. The proposed methodology involving gastrointestinal simulation technology and IVIVC suggests that there is a rationale for considering CBZ biowaiver extension and introduction of the wider dissolution specifications for CBZ immediate release tablets.
PB  - Amer Chemical Soc, Washington
T2  - Molecular Pharmaceutics
T1  - Justification of Biowaiver for Carbamazepine, a Low Soluble High Permeable Compound, in Solid Dosage Forms Based on IVIVC and Gastrointestinal Simulation
VL  - 6
IS  - 1
SP  - 40
EP  - 47
DO  - 10.1021/mp800128y
ER  - 

@article{
author = "Kovacević, Ivan and Parojčić, Jelena and Homšek, Irena and Tubić-Grozdanis, Marija and Langguth, Peter",
year = "2009",
abstract = "The aim of the present study was to use gastrointestinal simulation technology and in vitro-in vivo correlation (IVIVC) as tools to investigate a possible extension of biowaiver criteria to BCS class II drugs using carbamazepine (CBZ) as a candidate compound. Gastrointestinal simulation based on the advanced compartmental absorption and transit model implemented in GastroPlus was used. Actual in vitro and in vivo data generated in CBZ bioequivalence studies were used for correlation purposes. The simulated plasma profile, based on the CBZ physicochemical and pharmacokinetic properties, was almost identical with that observed in vivo. Parameter sensitivity analysis (PSA) indicated that the percent of drug absorbed is relatively insensitive to the variation of the input parameters. Additionally, plasma concentration-time profiles were simulated based on dissolution profiles observed under the different experimental conditions. Regardless of the differences observed in vitro, the predicted pharmacokinetic profiles were similar in the extent of drug exposure (AUC) while there were certain differences in parameters defining the drug absorption rate (C-max, t(max)). High level A IVIVC was established for the pooled data set (r = 0.9624), indicating that 1% SLS may be considered as the universal biorelevant dissolution medium for both the IR and CR CBZ tablets. The proposed methodology involving gastrointestinal simulation technology and IVIVC suggests that there is a rationale for considering CBZ biowaiver extension and introduction of the wider dissolution specifications for CBZ immediate release tablets.",
publisher = "Amer Chemical Soc, Washington",
journal = "Molecular Pharmaceutics",
title = "Justification of Biowaiver for Carbamazepine, a Low Soluble High Permeable Compound, in Solid Dosage Forms Based on IVIVC and Gastrointestinal Simulation",
volume = "6",
number = "1",
pages = "40-47",
doi = "10.1021/mp800128y"
}

Kovacević, I., Parojčić, J., Homšek, I., Tubić-Grozdanis, M.,& Langguth, P.. (2009). Justification of Biowaiver for Carbamazepine, a Low Soluble High Permeable Compound, in Solid Dosage Forms Based on IVIVC and Gastrointestinal Simulation. in Molecular Pharmaceutics
Amer Chemical Soc, Washington., 6(1), 40-47.
https://doi.org/10.1021/mp800128y

Kovacević I, Parojčić J, Homšek I, Tubić-Grozdanis M, Langguth P. Justification of Biowaiver for Carbamazepine, a Low Soluble High Permeable Compound, in Solid Dosage Forms Based on IVIVC and Gastrointestinal Simulation. in Molecular Pharmaceutics. 2009;6(1):40-47.
doi:10.1021/mp800128y .

Kovacević, Ivan, Parojčić, Jelena, Homšek, Irena, Tubić-Grozdanis, Marija, Langguth, Peter, "Justification of Biowaiver for Carbamazepine, a Low Soluble High Permeable Compound, in Solid Dosage Forms Based on IVIVC and Gastrointestinal Simulation" in Molecular Pharmaceutics, 6, no. 1 (2009):40-47,
https://doi.org/10.1021/mp800128y . .