Papers

2014
Current Applications of Artificial Neural Networks in Biochemistry with Emphasis on Cancer Research

John C. Cancilla, José S. Torrecilla, Gemma Matute.

Current Biochemical Engineering. (CBE-EPUB-20130108-1).

Nanowires for Selective Detection in the Gas Phase. Nano Letters. 2014 (DOI: 10.1021/nl404335p). 

Bin Wang, John C. Cancilla, Jose S. Torrecilla, Hossam Haick. 

Artificial Sensing Intelligence with Silicon 

Determination of Physicochemical Properties of Pyridinium-based Ionic Liquid Binary Mixtures with a Common Component through Neural Networks. 

Pablo Díaz-Rodriguez, John C. Cancilla, Gemma Matute, José S. Torrecilla. 

Industrial & Engineering Chemistry Research 2013 (DOI: 10.1021/ie403319r).

Estimation of the refractive indices of imidazolium-based ionic liquids using their polarisability values.

Pablo Díaz-Rodríguez, John C. Cancilla, Natalia V. Plechkova, Gemma Matute, Kenneth R. Seddon, José S. Torrecilla.  

Physical Chemistry Chemical Physics 2014 16 128-134.

 

2013
Neural network models to classify olive oils within the protected denomination of origin framework

José S. Torrecilla, John C. Cancilla, Gemma Matute, Pablo Díaz-Rodríguez

International Journal of Food Science and Technology. (DOI: 10.1111/ijfs.12245)


Self-organizing maps based on chaotic parameters to detect adulterations of extra virgin olive oil with inferior edible oils

José S. Torrecilla, John C. Cancilla. Gemma Matute, Pablo Diaz-Rodriguez, Ana I. Flores.

Journal of Food Engineering 2013, 118, 400-405.


Neural networks to estimate the water content of imidazolium-based ionic liquids using their refractive indices

José S. Torrecilla, Cesar Tortuero, John C. Cancilla, Pablo Díaz-Rodríguez

Talanta 2013, 116, 122-126.


Estimation with neural networks of the water content in imidazolium-based ionic liquids using their experimental density and viscosity values

José S. Torrecilla, Cesar Tortuero, John C. Cancilla, Pablo Diaz-Rodriguez.

Talanta 2013, 113, 93-98.


Rebuttal to “comments on “Boiling Points of Ternary Azeotropic Mixtures Modeled with the Use of Universal Solvation Equation and Neural Networks”

Alexander A. Oliferenko, Polina V. Oliferenko, José S. Torrecilla Alan R. Katritzkya

Industrial & Engineering Chemistry Research 2013, 52, 545−546.

2012
Radial Basis Network Analysis to estimate lycopene egradation kinetics in tomato-based products.

 Montaña Cámara, Virginia Fernández-Ruiz, Fernández Redondo, Delia, M. Cortes Sánchez-Mata, José S. Torrecilla

Food Research International. 49 2012 453-458.


Boiling Points of Ternary Azeotropic Mixtures Modeled with the Use of Universal Solvation Equation and Neural Networks

Alexander A. Oliferenko, Polina V. Oliferenko, José S. Torrecilla Alan R. Katritzkya.

Industrial & Engineering Chemistry Research 2012, 51, 9123−9128.


Separation of toluene from n-heptane by liquid–liquid extraction using binary mixtures of [bpy][BF4] and [4bmpy][Tf2N] ionic liquids as solvent

 Silvia García, Marcos Larriba, Julián García, José S. Torrecilla, and Francisco Rodríguez.

The Journal of Chemical Thermodynamics 53, 2012, 119-124.


Aprovechamiento y valorización de los residuos del olivar

Gemma Matute, José S. Torrecilla.

Agricultura, revista agropecuaria, Mayo 2012.


Liquid–liquid extraction of toluene from n–heptane using binary mixtures of N–butylpyridinium tetrafluoroborate and N–butylpyridinium bis(trifluoromethylsulfonyl) imide ionic liquids

Silvia Garcia, Marcos Larriba, Julián García, José S. Torrecilla, Francisco RodrÍguez.

Chemical Engineering Journal, 2012, 180, 210-215.


Modelling of hydrocarbon solubility in isomeric ionic liquids using mathematical regressions

José S. Torrecilla, Julián García, Silvia García, Gemma Matute, Francisco Rodríguez.

Separation Science & Technology. 47 (2012) 392-398.


Alkylsulfate-based ionic liquids in the liquid-liquid extraction of aromatic hydrocarbons

Silvia García, Marcos Larriba, Julián García, José S Torrecilla, Francisco Rodríguez.

The Journal of Chemical Thermodynamics 45 (2012) 68–74.



2011
 Thermophysical Properties of 1-Ethyl-3- methylimidazolium     1,1,2,2-Tetrafluoroethanesulfonate and 1-Ethyl-3- methylimidazolium Ethylsulfate Ionic Liquids as a Function of Temperature

  Marcos Larriba, Silvia García, Julián García, José S Torrecilla, Francisco Rodríguez.

  Journal of Chemical & Engineering Data 2011, 56, 3589–3597.


The ability of spectrum autocorrelation models to predict the lycopene concentration in foods tfoods through visible spectroscopic data

Jose S. Torrecilla, Virginia Fernandez Ruiz, Montaña Cámara, M. Cortes Sánchez Mata.

 Talanta 85 (2011) 2479– 2483.


 1–Alkyl–2,3–dimethylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquids for the Liquid–Liquid Extraction of Toluene from Heptane.

  Silvia García, Marcos Larriba, Julián García, José S. Torrecilla, Francisco Rodríguez.

  Journal of Chemical & Engineering Data , 2011, 56, 3468-3474.

 
Sulfonate-based Ionic Liquids in the Liquid-Liquid Extraction of Aromatic Hydrocarbons.

Silvia García, Julián García*, Marcos Larriba, José S. Torrecilla, Francisco Rodríguez.

Journal of Chemical & Engineering Data, 2011, 56, 7, 3188-3193.

 
 Liquid-liquid equilibrium for the ternary systems {heptane + toluene + 1-allyl-3-  methylimidazolium bis(trifluoromethylsulfonyl)imide} and {heptane + toluene + 1-methyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide} ionic liquids

 Silvia García, Marcos Larriba, Julián García, José S Torrecilla, Francisco Rodríguez.

The Journal of Chemical Thermodynamics, 43, 2011, 1641-1645.

 
 Prediction of Gas Solubilities in Ionic Liquids

Alexander A. Oliferenko, Polina V. Oliferenko, Kenneth R. Seddon, José S. Torrecilla.

Physical chemistry chemical physics, 13, 2011, 17262-17272.

 
Application of lag-k autocorrelation coefficient and the TGA signals approach to detecting and quantifying adulterations of extra virgin olive oil with inferior edible oils.

José S. Torrecilla*, Julián García, Silvia García, Francisco Rodríguez

Analytica Chimica Acta. 688, 2011, 140-145.

 
Liquid-Liquid Extraction of Toluene from Heptane using 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquids

Silvia García, Marcos Larriba, Julián García*, José S. Torrecilla, Francisco Rodríguez

Journal of Chemical & Engineering Data. 2011, 56, 113–118.

 
N-Butylpyridinium bis-(trifluoromethylsulfonyl)imide ionic liquids as solvents for the liquid-liquid extraction of aromatics from their mixtures with alkanes: isomeric effect of the cation

Julián García*, Silvia García, José S. Torrecilla, Francisco Rodríguez.

 Fluid Phase Equilibria. 301, 2011, 62-66.

 
Quantification of adulterant agents in extra virgin olive oil by models based on its thermophysical properties.

José S. Torrecilla*, Julián García, Silvia García, Francisco Rodríguez

Journal of Food Engineering 103, 2011, 211–218.

 
 Linear and non linear chemometric models to quantify the adulteration of extra virgin olive oil.

José S. Torrecilla*, Ester Rojo, Juan C. Domínguez, Francisco Rodríguez

Talanta 83 (2010) 404-409.

2010
Radial Basis Network Analysis of Color Parameters to Estimate Lycopene Content on Tomato Fruits

Virginia Fernández-Ruiz, José S. Torrecilla, Montaña Cámara*, Mª Cortes Sánchez Mata, Charles Shoemaker

Talanta 83 (2010), 9-13.


Solvent Extraction of Toluene from Heptane with the Ionic Liquids N-Ethylpyridinium Bis-(trifluoromethylsulfonyl)imide and z-Methyl-N-ethylpyridinium Bis-(trifluoromethylsulfonyl)imide (z = 2, 3, or 4) at T = 313.2 K.

Julián García*, Silvia García, José S. Torrecilla, Francisco Rodríguez

Journal of Chemical & Engineering Data. 2010, 55, 4937–4942.


   Self-organizing  maps and learning vector quantization networks as tools to identify vegetable oils and detect adulterations of extra virgin olive oil .    

José S. Torrecilla, Ester Rojo, Mercedes Oliet, Juan C. Domínguez, Francisco Rodríguez.

 Computer Aided Chemical Engineering,  28, 2010, 313-318.


Separation of toluene and heptane by liquid-liquid extraction using z-methyl-N-butylpyridinium tetrafluoroborate isomers (z = 2, 3, or 4) at T = 313.2 K.

Julián García*, Silvia García, José S. Torrecilla, Mercedes Oliet, Francisco Rodríguez

Journal of chemical Thermodynamics. 42 (2010) 1004–1008.


Liquid Liquid Equilibria for the Ternary Systems {Heptane plus Toluene plus N-Butylpyridinium Tetrafluoroborate or N-Hexylpyridinium Tetrafluoroborate} at T=313.2 K.

Julián García*, Silvia García, José S. Torrecilla, Mercedes Oliet, Francisco Rodríguez.

 Journal of chemical and Engineering data. 55(8), 2010, 2862-2865.


Ionic liquids: Determination of their aqueous content using differential scanning calorimeter equipment, chaotic parameters and a radial basis network model.

José S. Torrecilla*, Ester Rojo, Juan C. Domínguez, Francisco Rodríguez.

 Talanta 81 (2010) 1766–1771.


A novel method to quantify the adulteration of extra virgin olive oil with low grade olive oils by UV-vis

José S. Torrecilla*, Ester Rojo, Juan C Domínguez, Francisco Rodríguez

Journal of Agricultural and Food Chemistry. 2010, 58, 1679-1684.


A COSMO-RS Based Guide to Analyze/Quantify the Polarity of Ionic Liquids and their Mixtures with Organic Cosolvents.

 José Palomar*, José S. Torrecilla, Jesús Lemus, Víctor R. Ferro, Francisco Rodríguez.

Physical Chemistry Chemical Physics 2010, 12, 1991–2000.


Neural Network Analysis of Spectroscopic Data of Lycopene and β-carotene content in Food Samples compared to HPLC-UV-Vis.

 Montaña Cámara*, José S. Torrecilla, Jorge O. Cáceres, Mª Cortes Sánchez Mata, Virginia Fernández-Ruiz.

Journal of Agricultura l and Food Chemistry. 2010, 58, 72-75.


A quantum-chemical-based guide to analyze/quantify the cytotoxicity of ionic liquids.

José S. Torrecilla, José Palomar*, Jorge Lemus, Francisco Rodríguez.

Green Chemistry. 2010, 12, 123 - 134.


Application of NNs to model the dispersion in rivers.

María C. Palancar, José S. Torrecilla*, José M. Aragón.

 Journal of Earth Sciences , 2010, 4, 1, 23-38.

(Liquid + liquid) equilibria in the binary systems (aliphatic or aromatic hydrocarbons + 1-ethyl-3-methylimidazolium ethylsufate or 1-butyl-3-methylimidazolium methylsulfate ionic liquids).

Julián García*, José S Torrecilla, Adela Fernández, Mercedes Oliet, Francisco Rodríguez.

Journal of chemical thermodynamics. 42 (2010) 144–150.

Ternary liquid-liquid equilibria measurement for hexane and benzene with the ionic liquid 1-butyl-3-methylimidazolium methylsulfate at T= (298.2, 313.2 and 328.2) K".

 Julián García; Adela Fernández, José S. Torrecilla*, Mercedes Oliet, Francisco Rodríguez

Journal of chemical and Engineering data, 2010, 55, 258–261.

 

2009
Liquid-Liquid Equilibria for {Hexane + Benzene + 1-ethyl-3-methylimidazolium ethylsulfate} at (298.2, 313.2 and 328.2) K.

Julián García*, Adela Fernández, José S. Torrecilla, Mercedes Oliet, Francisco Rodríguez

Fluid Phase Equilibria. 2009, 282, 117–120.


Synergistic liquid-liquid extraction of toluene from heptane with mixtures of [bmim]BF4 and [omim]BF4 ionic liquids.

Julián García, Silvia García, José S. Torrecilla, Francisco Rodríguez.

Chemical Engineering Transactions, 17, 1579-1584, 2009.


Chaotic parameters and their role in quantifying noise in the output signals from UV, TGA and DSC apparatus.

José S. Torrecilla*, Ester Rojo, Juan C. Domínguez, Francisco Rodríguez.

Talanta. 2009, 79, 665–668.


Determination of toluene, n-heptane, [emim][EtSO4], and [bmim][MeSO4] ionic liquids concentrations in quaternary mixtures by UV-vis spectroscopy.

José S. Torrecilla*, Ester Rojo, Julián García, Mercedes Oliet, Francisco Rodríguez

Industrial & Engineering Chemistry Research. 2009, 48, 4998–5003.


Effect of cationic and anionic chain lengths on volumetric, transport and surface properties of 1-alkyl-3-methylimidazolium alkylsulfate ionic liquids at (298.15 and 313.15) K.

José S. Torrecilla*, José Palomar, Julián García, Francisco Rodríguez

Journal of Chemical & Engineering Data. 2009, 54 (4), 1297–1301.


Self-organizing maps and learning vector quantization networks as tools to identify vegetable oils

José S. Torrecilla*, Ester Rojo, Mercedes Oliet, Juan C. Domínguez, Francisco Rodríguez.

Journal of Agricultural and Food Chemistry. 2009, 57, 2763–2769.


Development an a priori ionic liquid design tool. 2. Ionic liquid selection through the prediction of COSMO-RS molecular descriptor by inverse neural network.

José Palomar*, José S. Torrecilla, Victor R. Ferro, Francisco Rodríguez.

 Industrial & Engineering Chemistry Research. 2009, 48, 2257–2265.


Estimation of toxicity of Ionic liquids in Leukemia Rat Cell Line and Acetylcholinesterase enzyme by Principal Component Analysis, Neural Networks and Multiple Lineal Regressions

Jose S. Torrecilla*, Julian Garcia, Ester Rojo, Francisco Rodriguez,.

      Journal of Hazardous Materials, 164, 2009, 182–194.

2008
Optimization of an Artificial Neural Network by Selecting the Training Function. Application to olive oil mills waste

José S. Torrecilla*, José M. Aragón and María C. Palancar;.

Industrial & Engineering Chemistry Research 2008, 47, 7072–7080.


Optimising an artificial neural network for predicting the melting point of ionic liquids.

José S. Torrecilla, Francisco Rodríguez, José L. Bravo, Gady Rothenberg, Kenneth R. Seddon, Ignacio Lopez-Martin*.

 Physical chemistry chemical physics. 2008, 10, 5826–5831.


Prediction of Non-Ideal Behavior of Polarity/Polarizability Scales of Solvent Mixtures by Integration of a novel COSMO-RS Molecular Descriptor and Neural Networks. Physical chemistry chemical physics.

José Palomar*, José S. Torrecilla, Jesús Lemus, Víctor R. Ferro, Francisco Rodríguez.

 Physical chemistry chemical physics. 2008, 10, 5967–5975. Hot paper y Portada del Volume 10 | Number 39 | 21 October 2008 | Pages 5929–6068.


Modeling of carbon dioxide solubility in Ionic liquids at sub and supercritical conditions by neural networks and mathematical regressions.

José S. Torrecilla*, José Palomar, Julián García, Ester Rojo, Francisco Rodríguez,

Chemometrics and Intelligent Laboratory Systems. 93, 2008, 149–159.


Solving the Spectroscopy Interference Effects of β-carotene and Lycopene by Neural Networks

José S. Torrecilla, Montaña Cámara, Virginia Fernández-Ruiz, Guiomar Piera, and Jorge O. Caceres*

Journal of Agricultural and Food Chemistry. 2008, 56, 6261–6266.


Design and Optimization of a Filter Based on Artificial Neural Network Applied to a Distillation Column

José S. Torrecilla*, Adela Fernández, Julián García, and Francisco Rodríguez;

Chemical Product and Process Modeling, Vol. 3 [2008], Iss. 1, Art. 20.


Estimation of ternary liquid-liquid equilibria for arene/alkene/ionic liquids mixtures using neural networks

José S. Torrecilla*, Maggel Deetlefs, Kenneth R. Seddon, Francisco Rodríguez

 Physical chemistry chemical physics 2008, 10, 5114 - 5120.


Development an a priori ionic liquid design tool. 1. Integration of a novel COSMO-RS Molecular descriptor on Neural Network.

José Palomar*, José S. Torrecilla, Victor R. Ferro, Francisco Rodríguez.

Industrial & Engineering Chemistry Research. 2008, 47, 4523–4532.


Volumetric, transport and surface properties of [bmim][MeSO4] and [emim][EtSO4] ionic liquids as a function of temperature

Adela Fernández, Julian Garcia, José S. Torrecilla*, Mercedes Oliet, Francisco Rodríguez,

Journal of Chemical & Engineering Data. 2008, 53(7), 1518–1522.


Principal component analysis/UV spectroscopy for the determination of 1-Ethyl-3-methylimidazolium Ethylsulfate ionic liquid and toluene concentrations in aqueous solutions.

José S. Torrecilla*, Ester Rojo, Julián García, Francisco Rodríguez.

Industrial & Engineering Chemistry Research, 2008, 47, 4025–4028.


Design and optimisation of a filter based on Neural Networks. Application to reduce noise in experimental measurement by TGA of thermal degradation of 1-Ethyl-3-methylimidazolium ethylsulfate ionic liquid

José S. Torrecilla*, Adela Fernández, Julián García, and Francisco Rodríguez;

Sensors and Actuators B Chemical, 2008, 133, 426–434.


Effect of relative humidity of air on density, apparent molar volume, viscosity, surface tension and water content of 1-ethyl-3-methylimidazolium ethylsulfate ionic liquid

José S. Torrecilla*, Tatiana Rafione, Julián García, Francisco Rodríguez

Journal of Chemical & Engineering Data, 2008, 53, 923–928.


The initial freezing temperature of foods at high pressure

Berengere. Guignon*, José S. Torrecilla, Laura Otero, Angel M. Ramos, Antonio D. Molina-García, Pedro D. Sanz;

Critical Reviews in Food Science and Nutrition, 48:328–340 (2008).


A neural network approach based on gold-nanoparticle enzyme biosensor

José S. Torrecilla*, Maria L. Mena, Paloma Yáñez-Sedeño, Julián García;

Journal of Chemometrics. 22(1), 2008, 46-53.


Field Determination of Phenolic Compounds in Olive Oil Mill Wastewater by Artificial Neural Network

José S. Torrecilla*, Maria L. Mena, Paloma Yáñez-Sedeño, Julián García;

       Biochemical Engineering Journal. 38, 2008, 171-179.
2007
Thermophysical properties of 1-Ethyl-3-methylimidazolium ethylsulfate and 1-Butyl-3-methylimidazolium methylsulfate ionic liquids

Adela Fernández, José S. Torrecilla*, Julián García, and Francisco Rodríguez;

Journal of Chemical & Engineering Data. 2007, 52, 1979-1983.


Quantification of Phenolic Compounds in Olive Oil Mill Wastewater by Artificial Neural Network/Laccase Biosensor

 José S. Torrecilla*, Maria L. Mena, Paloma Yáñez-Sedeño, Julián García;

 Journal of Agricultural and Food Chemistry. 2007, 55, 7418-7426.


Density and Molar Volume Predictions using COSMO-RS for Ionic Liquids. An Approach to Solvents Design

José Palomar*, Victor R. Ferro, José S. Torrecilla, Francisco Rodríguez.

Industrial & Engineering Chemistry Research. 46, 2007, 6041-6048.


Determination of 1-ethyl-3-methylimidazolium ethylsulfate ionic liquid and toluene concentration in aqueous solutions by Artificial Neural Network/UV spectroscopy

José S. Torrecilla*, Adela Fernández, Julián García, and Francisco Rodríguez

Industrial & Engineering Chemistry Research. 46(11), 2007, 3787-3793.


Optimization of an artificial neural network for thermal/pressure food processing: evaluation of training algorithms

José S. Torrecilla*, L. Otero and P. D. Sanz;

Computers and electronics in agriculture. 56, 2007, 101-110.


Application of Artificial Neural Network to the Determination of Phenolic Compounds in Olive Oil Mill Wastewater

José S. Torrecilla*, Maria L. Mena, Paloma Yáñez-Sedeño, Julián García

Journal of Food Engineering. 81, 2007, 544–552.

1996-2006
Improvement of Fluidized Bed Dryers for Drying Solid Waste (Olive pomace) in olive oil mills

José S. Torrecilla*, José M. Aragón, María C. Palancar;

European Journal of Lipid Science and Technology. 2006,108, 913–924.


Modeling the Drying of a High-Moisture Solid with an Artificial Neural Network

José S. Torrecilla, José M. Aragón*, and María C. Palancar

Industrial & Engineering Chemistry Research; 2005; 44(21) pp 8057 – 8066.


Artificial neural networks: a promising tool to design and optimize high-pressure food processes

José S. Torrecilla, L. Otero and P.D. Sanz*

Journal of Food Engineering, Volume 69, Issue 3, August 2005, Pages 299-306.


A neural network approach for thermal/pressure food processing

José S. Torrecilla, L. Otero and P. D. Sanz*;

Journal of Food Engineering, Volume 62, Issue 1, March 2004, Pages 89-95.


Aprovechamiento del alpeorujo

José S. Torrecilla

Agricultura, revista agropecuaria, 832, 2001, 734-737.


Secado del orujo en lecho fluidizado / móvil

José S. Torrecilla

Agricultura, Revista Agropecuaria, núm. 827, abril 2001, 340-343.


pH-Control System Based on Artificial Neural Networks

 Maria C. Palancar; José M. Aragon*; José S. Torrecilla

Industrial & Engineering Chemistry Research; 1998; 37(7); 2729-2740.


Application of a Model Reference Adaptive Control System to pH Control. Effects of Lag and Delay Time

Maria C. Palancar; José M. Aragon*; José A. Miguens; José S. Torrecilla

Industrial & Engineering Chemistry Research; 1996; 35(11); 4100-4110.