FOOD MATRIX ARRANGEMENTS BASED ON WATER MOLECULE INTERACTION

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1 Original scientific paper UDC :613.2 FOOD MATRIX ARRANGEMENTS BASED ON WATER MOLECULE INTERACTION Tadeusz Matuszek 1* 1 Mechanical Engineering Faculty, Gdansk University of Technology, 11/12 G. Narutowicza, St , Poland * tmatusze@pg.gda.pl Abstract Water in food can be treated as an integral part of non-aqueous constituent or bound water molecule. Based on membrane structure and its permeability, a mass and energy model of a water molecule interaction mechanism in chosen condensation and sedimentation processes has been considered. Several food products were chosen with different wet basis moisture content. The model of water structure together with hydrophobic and hydrophilic strongly and weakly restricted bonds and their interaction in the products has been chosen. To describe the water molecule displacement, and their influences on food microstructure arrangements, two different approaches have been proposed for assessment of the condensed matter s structure: phenomenologicalincluding mass and energy transport, and the molecular dynamic. Phase diagrams from different computer programmes and numerical results, including comparison between the Lenard-Jones water molecule potential and Janus chain model used for the processes description show that the Janus chain model is more adequate for both the micro- and macroscopic structural information needed to predict the spatial food microstructure arrangements and their rheological properties. The water molecule models applied to both meat and dairy products indicate that the water molecule interaction mechanism strongly influences food matrix formation process and its properties, which can differ in the character of the water molecules bonds associated with the complex food system. Key words: Food matrix, water molecule, microstructure components. 1. Introduction Water is one of the most important components in food. The amount of global water content, and water molecule migration there results in strong relationship between all food microstructure components in the food spatial arrangements, and indicate the physical, chemical properties, as well as their influence on the biological stability, in glass transition temperature and on the plasticizing effect of water (Slade [5], Matuszek [13], [16] and Lewicki [14]). The food products contain several till several dozen percentages of water, and their final quality strongly depends on the water molecule behaviour under the process engineering of thermal and mechanical parameters. In the thermal-mechanics phenomena between water molecules chosen there are different forces applied regarding their probabilities to co-operate between themselves and with other food matrix components under food engineering conditions. Among them an effect of Brownian motion and microscopic forces such as disperse, steric, and electrostatic forces, and mechanisms of interfaces interaction with some physical water structure involved in processing changes. Under specific technological receipt regarding the water molecule movement, a certain spatial matrix of both bond and bond-free food final product microstructure can be achieved. 1.1 Water in food Water in food can be treated as an integral part of non-aqueous constituent or bound water molecule, that can acts with specific hydrophilic sites and form a mono-layer water-ion and water-dipole bond around hydrophilic groups of many spatial foods microstructure arrangements. The water molecule models applied to many of products indicate that the water molecule interaction mechanism strongly influences food matrix formation process and its properties, which can differ in the character of the water molecules bonds associated with the complex food system. Water molecule activity and their rheological properties strongly depend on the behaviour of adsorption isotherm hysteresis, and critically determined the keeping properties of food microstructure which can differ substantially in the character of the clusters water molecules bonds associated with the complex 330

2 Journal of Hygienic Engineering and Design food system. It may seem that the influence of initial water molecule positions and velocities on the chosen simulated condensation processes can play significant role on the food products final spatial microstructure arrangements. The food products contain several till several dozen percentages of water, and their final quality strongly depends on the water molecules, their possible spatial arrangements like in Figures 1, 2, 3, 4 and Figure 5, and behaviour, as well as their final matrix localization under process engineering of thermal and mechanical parameters. In food structure water and fat are the two main solvents for food constituents and they determine the possible interactions and resultant diffusion mechanisms. Figure 4. Five water molecule model (Matthews [11]) Figure 1. Pentagonal water molecules arrangements associated with hydrophobic residues (Urry [8]) Figure 5. Six water molecule model (Matthews [11]) Figure 2. Water molecule as an electric dipole (Matuszek [18]) 1.2 Context and Objectives In essence it consists on understanding the rules that determine the assembly of food structure, and processes effect of food system composition involves the following issues. Structural-related to the position and orientation of water molecules in relation to each other and to macromolecules. Dynamic-related to details of molecular motion of water and their contribution to the food system hydrodynamic property changes. Thermodynamicrelated to water in equilibrium with its surroundings at certain values of the relative humidity, pressure and temperature during processing and storage data. Most of processing operations are related to the thermal properties of foods with their structural, dynamics, and thermodynamics aspects. Any internal equilibrium for the behaviour of food microstructure can be performed through the results of interaction processes between them (Figure 6), and based on two processes: evaporation and condensation (Figure 7). Figure 3. Two water molecule model (Matthews [11]) 331

Figure 6. Interaction between molecules in close and collision contacts (Matuszek [15,22]) Figure 7. Schematic diagram of the evaporation and condensation phenomena (Matuszek [13,19]) 1.

3 Figure 6. Interaction between molecules in close and collision contacts (Matuszek [15,22]) Figure 7. Schematic diagram of the evaporation and condensation phenomena (Matuszek [13,19]) 1.3 Mechanism of diffusion in food systems Basic structural elements in molecules themselves and in the molecule contact between them depends on the current state of food microstruture characterisation. The same is related to the molecular energetic and mass level, and to the resultant accuracy of mechanism description. The common expectation within this general area of a diffusion membrane technology is to predict the selectivity and steady state properties transport of the food microstructure constituents. Moreover, also to establish molecular architecture and membrane chemical composition within that spatial food matrix. This information would helpfully present in a better understanding of the role of processing energy applied and mass changes to achieve food structure stability. The expected properties of any internal equilibrium for the behaviour of food microstruture can be performed on the basis of the two processes, i.e., evaporation with solute effect and condensation with sedimentation effect along with all factors governing the equilibrium in the system comprising them. Based on the distortion mechanism of the food microstructure, the interfacial region between its components is often regarded as discontinuity surface. In case of evaporation when rarefaction wave occurs in the system, the bubble flux density distribution on the heating surface is an indirect source of information of the bubble formation processes behaviour and their influence on the mechanism responsible for surrounding nucleation sites activation within the system. In case of condensation a structural breakdown always presupposes some molecular or microscopic processes for changing the consistency like an effect of Brownian motion and microscopic forces such as disperse, steric, and electrostatic forces. For example, structure stability of dispersion such as foams, emulsions, aerosols, powders and sols required low interfacial tension for efficient engineering process formation. On the other hand, the stability against coalescence and flocculation may require different interfacial properties. In this case the droplets surface potential may sufficiently prevent aggregation and coalescence by charge repulsion. Some steric effects for large surfactant head- groups or proteins may physically present coalescence, but may also through bridging effects encourage flocculation. In the mixture of the water and protein molecules, and with water and surface active material components in both separate cases some mechanisms of film stabilisation can be observed. Based on protein interaction and rapid diffusion of surfactant, the film streching deformation regarding Gibbs and Marangoni effects is taking place. Different solute molecules cause extensive changes in the orientation of local water molecules and thus affect the water activity. And it is also accepted that water activity and not water content in the food components structure reflects the ability of adsorbed water to support solute mobility. The water activity and its rheological properties, which among others things strongly depend on the behaviour of electrolytes, as well as hysteresis of the adsorption isotherm, critically determined the keeping properties of food microstructure. In case of clusters they may differ substantially in the character of the bonds associated with the complex food system. Clusters provides the ability to attach one or more solvent molecules to reacting species. The reaction of clusters in the evaporation process are usually divided into intra- and inter- cluster processes, and further into neutral and ionic cluster reaction, with such effects as kinematic, dynamic, steric and energetic as well on the way to form the spatial food matrix arrangements (Kokini [7,9]) and Matuszek [10,12,16]). 2. Materials and Methods Several food products were chosen with different wet basis moisture content. The model of water structure together with hydrophobic and hydrophilic strongly and weakly restricted bonds and their interaction 332

4 Journal of Hygienic Engineering and Design in the products has been chosen. To describe the water molecule displacement, and their influences on food microstructure arrangements, two different approaches have been proposed for assessment of the condensed matter s structure: phenomenologicalincluding mass and energy transport, and the molecular dynamic (Figures 8 and 9). The results presented in Figure 10 shown that the influence of the initial water molecule positions and velocities on the chosen simulated condensation processes for assumed water content and TIP4P model taken into calculation, can play significant role on the food products and their final spatial microstructure arrangements. However, some qualitative results of water molecule model simulation were not entirely agreed with the phenomenological prediction (Matuszek [22]). It has been suggested that the water molecule influences on the food microstructure and co-operation with other components for predicted interaction and behaviour of final food products depends on many factors. Namely, such as molecule shape, its sizes and volumes together with frequencies at the initial positions of the described temperature level, and critical water molecule numbers in clusters. Probably it is also relevant to the raw material whole water mass content and the quantity of the primary structure energy level (Matuszek [20], [24], [25]). Figure 8. Model of mass transport (Matuszek [21]) Figure 9. Model of energy transport (Matuszek [21]) 3. Results and Discussion Figure 10. Total number of clusters within the simulation box vs. Time for the TIP4P model under isothermal conditions (Puzyrewski et al. [21]) 4. Conclusions Taking into consideration the water molecule models chosen and published in the papers: (Schneider [1], Gatinol [2], Mauritz [3], Bilicki [4], Buczkowski [6], Matuszek [10], [15], [16], [21], and Yi [23]) as well as analysed and applied for several dairy and meat products, the results seems to highlight the preponderant impact, that the water molecule interaction mechanism during condensation can strongly influence on food matrix formation processes. The 3D phase diagrams from different simulation computer programmes and numerical results, including comparison between the Lennard-Jones water molecule potential and Janus chain model used for the processes description shown, that the Janus chain model is more adequate for both the microand macroscopic structural information needed to predict the spatial food microstructure arrangements and their rheological properties especially in the food like collagen gels (Matuszek [17] and Yi [23]). It has been assumed and proved through the computer programme calculations that it is probably because the Janus vector much more characterises the local anisotropy of the spherically symmetric shaped molecules arrangements. For amphiphilic systems the Janus vector is considered as a dipole pointing from the hydrophilic center to the hydrophobic center (Yi [23]). It has been stated that almost every changes appearing in the biological raw materials during food processes engineering form the stage of entrance and to stage of packaging final food products, strongly depends on the water molecules activities and their willingness 333

5 to make any contact with other food microstructure components. In every unit process every final result depends on water molecule intensities within the spatial possible achievements described by technological process conditions, i.e., under real value of temperature, pressure, density, velocity, revolution per minute, percentage of fat and it chemical structure, type of protein, and other additional raw material components. 5. References [1] Schneider F.H. (1981). Zur Wasserbestimmung in vegetabilen Ölrohstoffen. Fette, Seifer, Anstrichmiitel, 83, pp [2] Gatinol R. and Seppecher P. (1986). Modelisation of fluidfluid interfaces with material properties. J. of Theoretical and Applied Mech., pp [3] Mauritz K.A. (1988). Sol-Gel Chemistry. JMS-REV., Macromolecular, Chem. Phys., C.28, (1), [4] Bilicki Z. and Kestin J. (1990). Physical aspects of the relaxation model in two phase flow, Proc. Roy. Soc. London, A-422, pp [5] Slade L. and Levin H. (1991). Beyond water activity:recent advances based on an alternative approach to the assessment of food quality and safety. Critical Rev. Food Sci. Nutrition, 30, [6] Buczkowski R. and Kleiber M. (1992). Finite elements analysis of elastic-plastic-plane contact problem with non-linear interface compliance. J. of Theoretical and Applied Mechanics, 4, 30, pp [7] Kokini J.L., et al. (1993). Research needs on the molecular basis for food functionality. Food Technology, 47, (3), pp. 36S-42S. [8] Urry D.W. (1993). Molecular machines, how motions and other functions of living organisms can result from reversible chemical changes. Angew., Chemie, Int. Edit., Vol. 32, No.6. VI, pp [9] Kokini J.L. (1994). Predicting the rheology of food biopolymers using constitutive models. Carbohydrate Polymers, 25, pp [10] Matuszek T. (1996). Contact phenomena in the food systems. Abstracts of the 7 th Symposium Vibrations in the Physical Systems, Poznan, Poland, pp [11] Matthews R. (1997). Wacky water. New Scientist, UK Edition, 2087, Vol. 154, pp [12] Matuszek T. (1997). Food system network transformation based on the contact phenomena. Proc. 1 st Int. Symposium on Food Rheology and Structure, Zurich, Switzerland, pp [13] Matuszek T. (1998). Mechanism of interaction and diffusion in the food microstructure systems. Proc. Int. Symposium on Trends in Continuum Physics, Poznan, Poland, Maruszewski B.T., Muschik W., Radowicz A. (Eds.), Word Scientific, pp [14] Lewicki P.P. (1999). Właściwości wody w produktach spożywczych. Inżynieria Chemiczna I Procesowa, z. 24, pp [15] Matuszek T. (2000). Modelling of food microstructure systems regarding interaction and deformation between molecules. Proceedings 3 rd Int. Conference on Predictive Modelling in Foods, Katholieke Univ. Leuven, Belgium, pp [16] Matuszek T. (2000). An attempt to the water rheology model description. Proceedings 3 rd Int. Conference on Predictive Modelling in Foods, Katholieke Univ. Leuven, Belgium, pp [17] Matuszek T. (2001). Rheological properties of protein gels. In: Chemical and Functional Properties of Proteins, Sikorski Z.E. (Ed.), Publisher: Technomic Publishing Co., Inc., Lancaster, Basel, USA, pp [18] Matuszek T. (2002). Rheological Properties of Food Systems. In: Chemical and Functional Properties of Food Components 2 nd Edition. Sikorski Z.E. (Ed.), CRC Press, Boca Raton, London, N.Y., Washington DC, USA, pp [19] Matuszek T. (2002). Water rheology properties and their food microstructure arrangements. XII Int. Tagung, Wissenschaft, Praxis, Didaktik, Köln, Germany, pp [20] Matuszek T. (2003). Rheological properties of lipids. In: Chemical and Functional Properties of Food Lipids. Sikorski Z.E. and Kołakowska A. (Eds.), CRC Press, Boca Raton, London, N.Y., Washington DC, USA, pp [21] Puzyrewski R., Rybicki J. and Białoskórski M. (2006). Early stage of critical clusters growth in phenomenological and molecular dynamic simulation models. Atmospheric Research, 82, pp [22] Matuszek T. (2008). Dynamic characteristic of multifunction water molecule by analysing chosen dairy product microstructure. Book of Abstracts, XIV IUFoST Congress, Shanghai, China, pp [23] Yi D. and Kröger M. (2009). Janus Chain Model: Rheological and structural properties of collagen gels. Proceedings of the 5 th Inter. Symposium on Food Rheology and Structure, Zurich, Switzerland, pp [24] Matuszek T. (2009). Water molecule expected localisation in the food matrix and its interaction under food processes engineering conditions. Proceedings of the 5 th Inter. Symposium on Food Rheology and Structure, Zurich, Switzerland, pp [25] Matuszek T. (2010). Water molecule interaction in different food matrix arrangements. CD of Abstracts, XV IUFoST Congress, Cape Town, RSA. 334

INTERMOLECULAR AND SURFACE FORCES

INTERMOLECULAR AND SURFACE FORCES SECOND EDITION JACOB N. ISRAELACHVILI Department of Chemical & Nuclear Engineering and Materials Department University of California, Santa Barbara California, USA ACADEMIC