Process-wide integration of solvent mixtures

Ahmad, Berit S.; Barton, Paul I.

doi:10.1016/s0098-1354(99)00298-7

Cited by 18 publications

(9 citation statements)

References 5 publications

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“…Here, however, the primary objective is considered much more important than the secondary objective. Therefore, a single Pareto-optimal point is obtained, by first minimizing the primary objective and then the secondary objective by requiring that the former (more important) objectives are not worsened, see also [51] – [53] .…”

Section: Methodsmentioning

confidence: 99%

Identifying Drug Effects via Pathway Alterations using an Integer Linear Programming Optimization Formulation on Phosphoproteomic Data

et al. 2009

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Understanding the mechanisms of cell function and drug action is a major endeavor in the pharmaceutical industry. Drug effects are governed by the intrinsic properties of the drug (i.e., selectivity and potency) and the specific signaling transduction network of the host (i.e., normal vs. diseased cells). Here, we describe an unbiased, phosphoproteomic-based approach to identify drug effects by monitoring drug-induced topology alterations. With our proposed method, drug effects are investigated under diverse stimulations of the signaling network. Starting with a generic pathway made of logical gates, we build a cell-type specific map by constraining it to fit 13 key phopshoprotein signals under 55 experimental conditions. Fitting is performed via an Integer Linear Program (ILP) formulation and solution by standard ILP solvers; a procedure that drastically outperforms previous fitting schemes. Then, knowing the cell's topology, we monitor the same key phosphoprotein signals under the presence of drug and we re-optimize the specific map to reveal drug-induced topology alterations. To prove our case, we make a topology for the hepatocytic cell-line HepG2 and we evaluate the effects of 4 drugs: 3 selective inhibitors for the Epidermal Growth Factor Receptor (EGFR) and a non-selective drug. We confirm effects easily predictable from the drugs' main target (i.e., EGFR inhibitors blocks the EGFR pathway) but we also uncover unanticipated effects due to either drug promiscuity or the cell's specific topology. An interesting finding is that the selective EGFR inhibitor Gefitinib inhibits signaling downstream the Interleukin-1alpha (IL1α) pathway; an effect that cannot be extracted from binding affinity-based approaches. Our method represents an unbiased approach to identify drug effects on small to medium size pathways which is scalable to larger topologies with any type of signaling interventions (small molecules, RNAi, etc). The method can reveal drug effects on pathways, the cornerstone for identifying mechanisms of drug's efficacy.

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Section: Methodsmentioning

confidence: 99%

Identifying Drug Effects via Pathway Alterations using an Integer Linear Programming Optimization Formulation on Phosphoproteomic Data

et al. 2009

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“…In recent years, there has been an increased interest for continuous production of APIs, for example driven by the real-time-release concept introduced in the PAT guidance (FDA, 2004). Computer-aided methods and tools form the cornerstone of the methodology, and can/may be used for flowsheet generation (Chakraborty and Linninger, 2002;Jaksland et al, 1995), solvent selection and replacement (Gani et al, 2008), as well as solvent integration (Ahmad and Barton, 1999). When developing such plants, it is evident that property prediction and process design methods, which are both wellestablished in the PSE community as well as in industry, will be required.…”

Section: Development Of Continuous Production Processesmentioning

confidence: 99%

PSE in Pharmaceutical Process Development

Gernaey

Padrell

Woodley

2011

Computer Aided Chemical Engineering

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“…Moreover, there are multiple objectives for the operation of the system. This feature of the problem can be leveraged to obtain a solution that maximizes several objectives in a hierarchical way 55. Obtaining a Pareto‐optimal solution for this problem is unnecessary (as well as prohibitively expensive due to nonconvexity) because there is a clear hierarchy of objectives as follows: The first priority is to supply the required amount of dry gas (represented by the maximum demand rates at the LNG plants), since this is mandated by PSC.…”

Section: Hierarchical Multi‐objective Case Studymentioning

confidence: 99%

A short‐term operational planning model for natural gas production systems

Selot¹,

Kuok²,

Robinson³

et al. 2007

AIChE Journal

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in Wiley InterScience (www.interscience.wiley.com).A short-term operational planning model for natural gas production systems can help identify a consistent operational policy that satisfies contractual rules and customer specifications. Formulating and solving such a model poses challenges due to nonlinear pressure-flowrate relations, a multicommodity network and complex production-sharing contracts (PSC). A production allocation model is presented that can be viewed as a contractual model superimposed on an infrastructure model. The infrastructure model incorporates nonlinear pressure-flowrate relationships for wells and pipelines, multiple qualities of gas in the trunkline network and models of facilities. The contractual model is a mathematical representation of the PSC and associated operational rules. The model features are inspired by the Sarawak Gas Production System (SGPS) in East Malaysia. A case study similar to the Sarawak Gas Production System (SGPS) is presented. The final formulation is a nonconvex mixed-integer nonlinear program and is solved with GAMS/BARON to global optimality. A hierarchical multiobjective operational study is also presented.

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Process-wide integration of solvent mixtures

Cited by 18 publications

References 5 publications

Identifying Drug Effects via Pathway Alterations using an Integer Linear Programming Optimization Formulation on Phosphoproteomic Data

Identifying Drug Effects via Pathway Alterations using an Integer Linear Programming Optimization Formulation on Phosphoproteomic Data

PSE in Pharmaceutical Process Development

A short‐term operational planning model for natural gas production systems

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