Volume-based approach

Examples of volume-based approaches by other commercial software distributors are FlexS from Tripos [78, 79] and ROCS from OpenEye [80, 81]. 

Determining the level to which the constituents of an essential oil should be identi ed depends upon estimates of intake of food or avor additives. These estimates are traditionally calculated using a volume-based or a menu-census approach. A volume-based approach assumes that the total annual volume of use of a substance reported by an industry is distributed over a portion of the population consuming that substance. A menu-census approach is based on the concentration of the substance (essential oil) added to each avor, the amount of avor added to each food category, the portion of food consumed daily, and the total of all exposures across all food types. Although the latter is quite accurate for food additives consumed at higher levels in a wide variety of food such as food emulsi-ers, the former method provides an ef cient and conservative approximation of intake, if a fraction of the total population is assumed to consume all of the substance. 

Routinely, the daily PCI of the essential oil is derived from the annual volumes reported in industry surveys (NAS, 1965, 1970,1975,1982,1987 Lucas et al., 1999 JFFMA, 2002 EFFA, 2005). If a conservative estimate of intake of the essential oil is made using a volume based approach such that a de ned group of constituents are set for each essential oil, target constituents can be monitored in an ongoing quality control program, and the composition of the essential oil can become one of the key sped cations linking the product that is distributed in the marketplace to the chemically based safety evaluation. 

An artificial neural network based approach for modeling physical properties of nine different siloxanes as a function of temperature and molecular configuration will be presented. Specifically, the specific volumes and the viscosities of nine siloxanes were investigated. The predictions of the proposed model agreed well with the experimental data [41]. 

Volume 431. Translation Initiation Cell Biology, High-Throughput Methods, and Chemical-Based Approaches Edited by Jon Lorsch... 

There have been substantial changes in Raman sample interfaces recently. The approaches now can be divided broadly into two categories based on the sampling volume. The probes intended to sample small volnmes include the more traditional noncontact or standoff probes, immersion probes, and optical microscopes. Large volume sampling approaches are newer and include WAl and SORS probes and transmission confignrations. 

A volume priced approach, either bottom-up or top-down, is used for fine chemicals produced on an industrial scale a time-based one is used for those produced on a small scale, or for process research. The most frequently used unit for the former is /kg, respectively FTE (full-time equivalent) for the latter. 

In this review, a set of balance equations for transport of heat, mass, and momentum in stationary and moving porous media has been derived based on a local volume averaging approach. The advantage of this method is that it allows precise definition of average temperature, velocity, and pressure. Moreover, equations are derived rigorously from first principles. 

Effects-based approach for assessing the status of contaminated sediments based on chemistry, biology and ecotoxicology. Volume 2(10). 

Following the Morbidelli and Varma criterion, several other methods have been proposed in recent years in order to characterize the highly sensitive behavior of a batch reactor when it reaches the runaway boundaries. Among the most successful approaches, the evidence of a volume expansion in the phase space of the system has been widely exploited to characterize runaway conditions. For example, Strozzi and Zaldivar [9] defined the sensitivity as a function of the sum of the time-dependent Lyapunov exponents of the system and the runaway boundaries as the conditions that maximize or minimize this Lyapunov sensitivity. This has put the basis for the development of a new class of runaway criteria referred to as divergence-based approaches [5,10,18]. These methods usually identify runaway with the occurrence of a positive divergence of the vector field associated with the mathematical model of the reactor. 

Most important macroscopic transport properties (i.e., permeabilities, solubilities, constants of diffusion) of polymer-based membranes have their foundation in microscopic features (e.g., free-volume distribution, segmental dynamics, distribution of polar groups, etc.) which are not sufficiently accessible to experimental characterization. Here, the simulation of reasonably equilibrated and validated atomistic models provides great opportunities to gain a deeper insight into these microscopic features that in turn will help to develop more knowledge-based approaches in membrane development. 

The author, as well as being an acclaimed teacher, is also an active researcher who has recently developed a new approach to thermodynamics (VBT - Volume Based Thermodynamics) published in high impact international journals, which is proving useful as a research tool. 

Davies P 1999 Aromatherapy an A to Z, 3rd edn. CW Daniel, London Devon T K, Scott A1 1972 Handbook of naturally occurring compounds terpenes, volume 2. Academic Press Inc, New York Doty R L 2003 Handbook of olfaction and gustation. Marcel Dekker, New York Ernst E 2006 The desktop guide to complementary and alternative medicine an evidence based approach. Mosby, London... 

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