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Hamburg, Germany

Weiss M.,Friedrich - Alexander - University, Erlangen - Nuremberg | Brinkmann T.,Ifu Hamburg GmbH | Groger H.,Friedrich - Alexander - University, Erlangen - Nuremberg
Green Chemistry | Year: 2010

An improved, greener process for the enantioselective chemoenzymatic synthesis of (S)-3-aminobutanoic acid has been developed. Reaction steps comprise an initial aza-Michael addition starting from cheap prochiral compounds, subsequent enzymatic resolution via aminolysis using commercially available Candida antarctica lipase B in a solvent-free one-pot process, hydrolysis of the resulting ester and removal of the N-benzyl moiety via hydrogenation. After isolation, the desired (S)-3-aminobutanoic acid was obtained in an overall yield of 28% and with an excellent enantiomeric excess of 99% ee. Notably, this reaction sequence does not require column chromatography with organic solvents and only one purification step of an intermediate is needed. The environmental impact of this optimized process has been evaluated and an E-factor of 41 has been calculated for the overall process. A comparative assessment with the previous process was done via mass balancing using the E-factor, the selectivity index S-1 as well as an SHE assessment. © 2010 The Royal Society of Chemistry. Source


Eissen M.,Secondary School Ganderkesee | Eissen M.,Emden Leer University of Applied Sciences | Weiss M.,Friedrich - Alexander - University, Erlangen - Nuremberg | Brinkmann T.,Ifu Hamburg GmbH | Steinigeweg S.,Emden Leer University of Applied Sciences
Chemical Engineering and Technology | Year: 2010

Enantiomerically pure β-amino acids are key building blocks for the synthesis of pharmaceuticals. Special consideration will be given to the production of (S)-3- aminobutanoic acid. Mass balancing is encouraged and highlighted to support the decision-making process in early stages of synthesis design when alternative routes are available. Though the overall yield of a chemical approach is twice as good as a chemoenzymatic route, the latter is more convincing regarding raw material consumption and costs as well as health issues. The energy flow analysis in early process development could not yet be carried out but principles concerning the modeling of energy demand were briefly exemplified by a comparative study of two processes with respect to decanoic acid methyl ester. © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. Source


Viere T.,Luneburg University | Brunner H.,Wacker Chemie AG | Hedemann J.,Ifu Hamburg GmbH
Chemical Engineering and Technology | Year: 2010

Strategic analysis and optimization of highly integrated production networks is an essential requirement for cost-effective and resource-efficient production. This paper presents a comprehensive software-based concept for modeling, simulation, optimization, and visualization of an integrated silicone production network of Wacker Chemie AG. A Verbund-Model was implemented in a step-by-step approach, starting with primary material streams in one business unit up to the modeling of all energy, waste, and cost streams in several business units. The system's flexibility enables different levels of detail for modeling processes and parts of the network: from simple input-output relations to complex, nonlinear equations and specifications. The proactive implementation of technical measures and projects based on the assessment of future scenarios is an important outcome of the Verbund-simulation. © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. Source


Zschieschang E.,Pforzheim University | Denz N.,Ifu Hamburg GmbH | Lambrecht H.,Pforzheim University | Viere T.,Pforzheim University
Procedia CIRP | Year: 2014

Material flow networks of chemical processes and production systems provide valuable information on energy and material consumption, related costs and environmental impacts including life cycle aspects. Such holistic information facilitates changes towards more sustainable and resource-efficient process design and production system planning. These changes require detailed information on cause-effect relationships between process design parameters, economic performance, and environmental impacts. This paper presents how chemical process design models can be integrated in material flow networks to obtain information on crucial design parameters from a resource efficiency perspective. Furthermore, the use of optimization methods in this complex decision setting is demonstrated based on newly developed software prototypes and plug-ins. © 2014 Published by Elsevier B.V. Source


Friedrich S.,Lausitz University of Applied science | Grobe G.,Lausitz University of Applied science | Kluge M.,TU Dresden | Brinkmann T.,Ifu Hamburg GmbH | And 2 more authors.
Journal of Molecular Catalysis B: Enzymatic | Year: 2014

Ecological assessment using the software tool Sabento was conducted to compare different processes to gain the fine chemical (R)-1-phenylethanol from ethylbenzene. The software was applied during the biocatalytic process development using the unspecific peroxygenase (EC 1.11.2.1) of the fungus Agrocybe aegerita. The process could be systematically improved with respect to the ecological performance during process development. Compared to a modern chemical process and a further biotechnological process, it now reaches the best environmental key indicator. The software tool Sabento proved to be well suited to work out the most important factors determining the ecological burdens in the early stages of process development. © 2013 Elsevier B.V. Source

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