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Dr. Julian Adolphs
Leibniz Institute for Agricultural Engineering and Bioeconomy (ATB)

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0 Computational Physics
0 Computer Vision
0 Deep Learning
0 Data Science/Machine Learning
0 Mathematical and numerical Modeling

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Journal article
Published: 23 June 2021 in Computers and Electronics in Agriculture
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In buildings with hybrid ventilation, natural ventilation opening positions (windows), mechanical ventilation rates, heating, and cooling are manipulated to maintain desired thermal conditions. The indoor temperature is regulated solely by ventilation (natural and mechanical) when the external conditions are favorable to save external heating and cooling energy. The ventilation parameters are determined by a rule-based control scheme, which is not optimal. This study proposes a methodology to enable real-time optimum control of ventilation parameters. We developed offline prediction models to estimate future thermal conditions from the data collected from building in operation. The developed offline model is then used to find the optimal controllable ventilation parameters in real-time to minimize the setpoint deviation in the building. With the proposed methodology, the experimental building’s setpoint deviation improved for 87% of time, on average, by 0.53 °C compared to the current deviations.

ACS Style

Khem Raj Gautam; Guoqiang Zhang; Niels Landwehr; Julian Adolphs. Machine learning for improvement of thermal conditions inside a hybrid ventilated animal building. Computers and Electronics in Agriculture 2021, 187, 106259 .

AMA Style

Khem Raj Gautam, Guoqiang Zhang, Niels Landwehr, Julian Adolphs. Machine learning for improvement of thermal conditions inside a hybrid ventilated animal building. Computers and Electronics in Agriculture. 2021; 187 ():106259.

Chicago/Turabian Style

Khem Raj Gautam; Guoqiang Zhang; Niels Landwehr; Julian Adolphs. 2021. "Machine learning for improvement of thermal conditions inside a hybrid ventilated animal building." Computers and Electronics in Agriculture 187, no. : 106259.

Rapid communication
Published: 23 November 2020 in The Journal of Physical Chemistry Letters
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Inhomogeneous broadening of optical lines of the Fenna–Matthews–Olson (FMO) light-harvesting protein is investigated by combining a Monte Carlo sampling of low-energy conformational substates of the protein with a quantum chemical/electrostatic calculation of local transition energies (site energies) of the pigments. The good agreement between the optical spectra calculated for the inhomogeneous ensemble and the experimental data demonstrates that electrostatics is the dominant contributor to static disorder in site energies. Rotamers of polar amino acid side chains are found to cause bimodal distribution functions of site energy shifts, which can be probed by hole burning and single-molecule spectroscopy. When summing over the large number of contributions, the resulting distribution functions of the site energies become Gaussians, and the correlations in site energy fluctuations at different sites practically average to zero. These results demonstrate that static disorder in the FMO protein is in the realm of the central limit theorem of statistics.

ACS Style

Marten L. Chaillet; Florian Lengauer; Julian Adolphs; Frank Müh; Alexander S. Fokas; Daniel J. Cole; Alex W. Chin; Thomas Renger. Static Disorder in Excitation Energies of the Fenna–Matthews–Olson Protein: Structure-Based Theory Meets Experiment. The Journal of Physical Chemistry Letters 2020, 11, 10306 -10314.

AMA Style

Marten L. Chaillet, Florian Lengauer, Julian Adolphs, Frank Müh, Alexander S. Fokas, Daniel J. Cole, Alex W. Chin, Thomas Renger. Static Disorder in Excitation Energies of the Fenna–Matthews–Olson Protein: Structure-Based Theory Meets Experiment. The Journal of Physical Chemistry Letters. 2020; 11 (24):10306-10314.

Chicago/Turabian Style

Marten L. Chaillet; Florian Lengauer; Julian Adolphs; Frank Müh; Alexander S. Fokas; Daniel J. Cole; Alex W. Chin; Thomas Renger. 2020. "Static Disorder in Excitation Energies of the Fenna–Matthews–Olson Protein: Structure-Based Theory Meets Experiment." The Journal of Physical Chemistry Letters 11, no. 24: 10306-10314.

Journal article
Published: 03 October 2020 in Applied Sciences
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A reliable quantification of greenhouse gas emissions is a basis for the development of adequate mitigation measures. Protocols for emission measurements and data analysis approaches to extrapolate to accurate annual emission values are a substantial prerequisite in this context. We systematically analyzed the benefit of supervised machine learning methods to project methane emissions from a naturally ventilated cattle building with a concrete solid floor and manure scraper located in Northern Germany. We took into account approximately 40 weeks of hourly emission measurements and compared model predictions using eight regression approaches, 27 different sampling scenarios and four measures of model accuracy. Data normalization was applied based on median and quartile range. A correlation analysis was performed to evaluate the influence of individual features. This indicated only a very weak linear relation between the methane emission and features that are typically used to predict methane emission values of naturally ventilated barns. It further highlighted the added value of including day-time and squared ambient temperature as features. The error of the predicted emission values was in general below 10%. The results from Gaussian processes, ordinary multilinear regression and neural networks were least robust. More robust results were obtained with multilinear regression with regularization, support vector machines and particularly the ensemble methods gradient boosting and random forest. The latter had the added value to be rather insensitive against the normalization procedure. In the case of multilinear regression, also the removal of not significantly linearly related variables (i.e., keeping only the day-time component) led to robust modeling results. We concluded that measurement protocols with 7 days and six measurement periods can be considered sufficient to model methane emissions from the dairy barn with solid floor with manure scraper, particularly when periods are distributed over the year with a preference for transition periods. Features should be normalized according to median and quartile range and must be carefully selected depending on the modeling approach.

ACS Style

Sabrina Hempel; Julian Adolphs; Niels Landwehr; Dilya Willink; David Janke; Thomas Amon. Supervised Machine Learning to Assess Methane Emissions of a Dairy Building with Natural Ventilation. Applied Sciences 2020, 10, 6938 .

AMA Style

Sabrina Hempel, Julian Adolphs, Niels Landwehr, Dilya Willink, David Janke, Thomas Amon. Supervised Machine Learning to Assess Methane Emissions of a Dairy Building with Natural Ventilation. Applied Sciences. 2020; 10 (19):6938.

Chicago/Turabian Style

Sabrina Hempel; Julian Adolphs; Niels Landwehr; Dilya Willink; David Janke; Thomas Amon. 2020. "Supervised Machine Learning to Assess Methane Emissions of a Dairy Building with Natural Ventilation." Applied Sciences 10, no. 19: 6938.

Journal article
Published: 31 January 2020 in Sustainability
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Environmental protection efforts can only be effective in the long term with a reliable quantification of pollutant gas emissions as a first step to mitigation. Measurement and analysis strategies must permit the accurate extrapolation of emission values. We systematically analyzed the added value of applying modern machine learning methods in the process of monitoring emissions from naturally ventilated livestock buildings to the atmosphere. We considered almost 40 weeks of hourly emission values from a naturally ventilated dairy cattle barn in Northern Germany. We compared model predictions using 27 different scenarios of temporal sampling, multiple measures of model accuracy, and eight different regression approaches. The error of the predicted emission values with the tested measurement protocols was, on average, well below 20%. The sensitivity of the prediction to the selected training dataset was worse for the ordinary multilinear regression. Gradient boosting and random forests provided the most accurate and robust emission value predictions, accompanied by the second-smallest model errors. Most of the highly ranked scenarios involved six measurement periods, while the scenario with the best overall performance was: One measurement period in summer and three in the transition periods, each lasting for 14 days.

ACS Style

Sabrina Hempel; Julian Adolphs; Niels Landwehr; David Janke; Thomas Amon. How the Selection of Training Data and Modeling Approach Affects the Estimation of Ammonia Emissions from a Naturally Ventilated Dairy Barn—Classical Statistics versus Machine Learning. Sustainability 2020, 12, 1030 .

AMA Style

Sabrina Hempel, Julian Adolphs, Niels Landwehr, David Janke, Thomas Amon. How the Selection of Training Data and Modeling Approach Affects the Estimation of Ammonia Emissions from a Naturally Ventilated Dairy Barn—Classical Statistics versus Machine Learning. Sustainability. 2020; 12 (3):1030.

Chicago/Turabian Style

Sabrina Hempel; Julian Adolphs; Niels Landwehr; David Janke; Thomas Amon. 2020. "How the Selection of Training Data and Modeling Approach Affects the Estimation of Ammonia Emissions from a Naturally Ventilated Dairy Barn—Classical Statistics versus Machine Learning." Sustainability 12, no. 3: 1030.

Research article
Published: 05 September 2018 in The Journal of Physical Chemistry B
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One of the most powerful line-narrowing techniques used to unravel the homogeneous lineshapes of inhomogeneously broadened systems is difference fluorescence line-narrowing spectroscopy. When this spectroscopy was applied to multichromophoric systems so far, the spectra were analyzed by an effective two-level system approach, composed of the electronic ground state and the lowest exciton state. An effective Huang–Rhys factor was assigned for the coupling of this state to the vibrations. Here, we extend this approach by including a multilevel line shape theory, which takes into account the excitonic coupling between pigments and thereby the effect of the delocalization of the excited states explicitly. In this way, it becomes possible to extract the spectral density of the local exciton–vibrational coupling. The theory is applied to the recombinant water-soluble chlorophyll binding protein reconstituted with chlorophyll a or b and reveals a significant decrease of the Huang–Rhys factor of the local exciton–vibrational coupling with decreasing transition energy of the chlorophylls. This decrease could be due to the increase in steric interactions reducing the flexibility of the environment and red-shifting the site energy of the pigments.

ACS Style

Julian Alexander Adolphs; Franziska Maria Maier; Thomas Renger. Wavelength-Dependent Exciton–Vibrational Coupling in the Water-Soluble Chlorophyll Binding Protein Revealed by Multilevel Theory of Difference Fluorescence Line-Narrowing. The Journal of Physical Chemistry B 2018, 122, 8891 -8899.

AMA Style

Julian Alexander Adolphs, Franziska Maria Maier, Thomas Renger. Wavelength-Dependent Exciton–Vibrational Coupling in the Water-Soluble Chlorophyll Binding Protein Revealed by Multilevel Theory of Difference Fluorescence Line-Narrowing. The Journal of Physical Chemistry B. 2018; 122 (38):8891-8899.

Chicago/Turabian Style

Julian Alexander Adolphs; Franziska Maria Maier; Thomas Renger. 2018. "Wavelength-Dependent Exciton–Vibrational Coupling in the Water-Soluble Chlorophyll Binding Protein Revealed by Multilevel Theory of Difference Fluorescence Line-Narrowing." The Journal of Physical Chemistry B 122, no. 38: 8891-8899.

Research article
Published: 25 February 2016 in Journal of the American Chemical Society
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A theory for the calculation of resonant and non-resonant hole-burning (HB) spectra of pigment-protein complexes is presented and applied to the water-soluble chlorophyll-binding protein (WSCP) from cauliflower. The theory is based on a non-Markovian lineshape theory (Renger and Marcus, J. Chem. Phys. 2002) and includes exciton delocalization, vibrational sidebands and lifetime broadening. An earlier approach by Reppert (J. Phys. Chem. Lett. 2011) is found to describe non-resonant HB spectra only. Here we present a theory that can be used for a quantitative description of HB data for both, non-resonant and resonant burning conditions. We find that it is important to take into account the excess energy of the excitation in the HB process. Whereas excitation of the zero-phonon transition of the lowest exciton state, that is resonant burning, allows the protein to access only its conformational substates in the neighborhood of the pre-burn state, any higher excitation gives the protein full access to all conformations present in the original inhomogeneous ensemble. Application of the theory to recombinant WSCP from cauliflower, reconstituted with chlorophyll a or chlorophyll b, gives excellent agreement with experimental data by Pieper et al. (J. Phys. Chem. B 2011) and allows to obtain an upper bound of the lifetime of the upper exciton state directly from the HB experiments in agreement with lifetimes measured recently in time domain 2D experiments by Alster et al. (J. Phys. Chem. B 2014).

ACS Style

Julian Adolphs; Manuel Berrer; Thomas Renger. Hole-Burning Spectroscopy on Excitonically Coupled Pigments in Proteins: Theory Meets Experiment. Journal of the American Chemical Society 2016, 138, 2993 -3001.

AMA Style

Julian Adolphs, Manuel Berrer, Thomas Renger. Hole-Burning Spectroscopy on Excitonically Coupled Pigments in Proteins: Theory Meets Experiment. Journal of the American Chemical Society. 2016; 138 (9):2993-3001.

Chicago/Turabian Style

Julian Adolphs; Manuel Berrer; Thomas Renger. 2016. "Hole-Burning Spectroscopy on Excitonically Coupled Pigments in Proteins: Theory Meets Experiment." Journal of the American Chemical Society 138, no. 9: 2993-3001.

Journal article
Published: 01 November 2015 in Journal of Photochemistry and Photobiology B: Biology
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To identify energy traps in CP43, a subcomplex of the photosystem II antenna system, site energies and excitonic couplings of the QY transitions of chlorophyll (Chl) a pigments bound to CP43 are computed using electrostatic models of pigment-protein and pigment-pigment interactions. The computations are based on recent crystal structures of the photosystem II core complex with resolutions of 1.9 and 2.1Å and compared to earlier results obtained at 2.9Å resolution. Linear optical spectra (i.e., absorption, linear dichroism, circular dichroism, and fluorescence) are simulated using the computed excitonic couplings, a refinement fit for the site energies, and a dynamical theory of optical lineshapes. A comparison of the obtained root mean square deviation of about 100 cm(-1) between directly calculated and refined site energies with the maximum range of about 350 cm(-1) of directly calculated site energies shows that the combined quantum chemical/electrostatic approach provides a semi-quantitative agreement with experiment. Possible reasons for the deviations are discussed, including limits of the electrostatic models and the lineshape theory as well as structural alterations of CP43 upon detachment from the core complex. Based on the simulations, an assignment of the two low-energy exciton states A and B of CP43, that where observed earlier in hole burning studies, is suggested. State A is assigned to a localized exciton state on Chl 37 in the lumenal layer of pigments. State B is assigned to an exciton state that is delocalized over several pigments in the cytoplasmic layer. The delocalization explains the smaller inhomogeneous width of state B compared to state A observed in hole burning spectra, which is proposed to be due to exchange narrowing. The assignment of states A and B largely confirms our earlier suggestion that was based on a fit of linear optical spectra and electrostatic calculations using the 2.9Å resolution structure. Interestingly, for the latter structure, the site energy of Chl 37 is obtained closer to the refined value than for 1.9 and 2.1Å resolution. This is explained by a variation of the site energy due to the influence of lipids that might be different in the core complex and isolated CP43. To remove remaining uncertainties in the assignment of states A and B, target sites for mutagenesis experiments are proposed based on the electrostatic computations. In particular, it is suggested to mutate Trp C63 close to Chl 37 to probe the identity of state A and to mutate Arg C41 close to Chl 47 to probe state B.

ACS Style

Frank Müh; Melanie Plöckinger; Helmut Ortmayer; Marcel Schmidt Am Busch; Dominik Lindorfer; Julian Adolphs; Thomas Renger. The quest for energy traps in the CP43 antenna of photosystem II. Journal of Photochemistry and Photobiology B: Biology 2015, 152, 286 -300.

AMA Style

Frank Müh, Melanie Plöckinger, Helmut Ortmayer, Marcel Schmidt Am Busch, Dominik Lindorfer, Julian Adolphs, Thomas Renger. The quest for energy traps in the CP43 antenna of photosystem II. Journal of Photochemistry and Photobiology B: Biology. 2015; 152 ():286-300.

Chicago/Turabian Style

Frank Müh; Melanie Plöckinger; Helmut Ortmayer; Marcel Schmidt Am Busch; Dominik Lindorfer; Julian Adolphs; Thomas Renger. 2015. "The quest for energy traps in the CP43 antenna of photosystem II." Journal of Photochemistry and Photobiology B: Biology 152, no. : 286-300.

Journal article
Published: 01 January 2015 in Food Control
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ACS Style

Stefan Gross; Annette Johne; Julian Adolphs; Daniela Schlichting; Kerstin Stingl; Christine Müller-Graf; Juliane Bräunig; Matthias Greiner; Bernd Appel; Annemarie Käsbohrer. Salmonella in table eggs from farm to retail – When is cooling required? Food Control 2015, 47, 254 -263.

AMA Style

Stefan Gross, Annette Johne, Julian Adolphs, Daniela Schlichting, Kerstin Stingl, Christine Müller-Graf, Juliane Bräunig, Matthias Greiner, Bernd Appel, Annemarie Käsbohrer. Salmonella in table eggs from farm to retail – When is cooling required? Food Control. 2015; 47 ():254-263.

Chicago/Turabian Style

Stefan Gross; Annette Johne; Julian Adolphs; Daniela Schlichting; Kerstin Stingl; Christine Müller-Graf; Juliane Bräunig; Matthias Greiner; Bernd Appel; Annemarie Käsbohrer. 2015. "Salmonella in table eggs from farm to retail – When is cooling required?" Food Control 47, no. : 254-263.

Journal article
Published: 30 June 2014 in Journal of Agricultural and Food Chemistry
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ACS Style

Jorge Numata; Janine Kowalczyk; Julian Adolphs; Susan Ehlers; Helmut Schafft; Peter Fuerst; Christine Müller-Graf; Monika Lahrssen-Wiederholt; Matthias Greiner. Toxicokinetics of Seven Perfluoroalkyl Sulfonic and Carboxylic Acids in Pigs Fed a Contaminated Diet. Journal of Agricultural and Food Chemistry 2014, 62, 6861 -6870.

AMA Style

Jorge Numata, Janine Kowalczyk, Julian Adolphs, Susan Ehlers, Helmut Schafft, Peter Fuerst, Christine Müller-Graf, Monika Lahrssen-Wiederholt, Matthias Greiner. Toxicokinetics of Seven Perfluoroalkyl Sulfonic and Carboxylic Acids in Pigs Fed a Contaminated Diet. Journal of Agricultural and Food Chemistry. 2014; 62 (28):6861-6870.

Chicago/Turabian Style

Jorge Numata; Janine Kowalczyk; Julian Adolphs; Susan Ehlers; Helmut Schafft; Peter Fuerst; Christine Müller-Graf; Monika Lahrssen-Wiederholt; Matthias Greiner. 2014. "Toxicokinetics of Seven Perfluoroalkyl Sulfonic and Carboxylic Acids in Pigs Fed a Contaminated Diet." Journal of Agricultural and Food Chemistry 62, no. 28: 6861-6870.

Evaluation study
Published: 30 September 2013 in Chemosphere
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When food producing animals are contaminated with PCDD/F congeners, information on the contaminant’s concentration in the bodies of the animals at time of slaughter is needed for risk management purposes. We have developed a mathematical model for the kinetics of PCDD/Fs in growing pigs in case of contaminated feed fed for a limited duration of time. This model allows the prediction of concentrations in body fat. It considers absorption fractions of PCDD/Fs, clearance by metabolism, dilution by growth and excretion through fecal fat. The model parameters were calibrated by fitting the model to experimental data. On the basis of this toxicokinetic model a probabilistic model has been constructed. The probabilistic model handles the parameters with appropriate probability distributions and Monte-Carlo simulation technique, providing for realistic situations with many animals and a range of contaminations and feeding intervals. We applied the new model to describe the German dioxin incident of winter 2010/2011 and discuss its viability as decision tool. The approach demonstrated here is a showcase how a risk assessment in the case of contaminated feeding can be performed.

ACS Style

Julian Adolphs; Frank Kleinjung; Jorge Numata; Hans Mielke; Klaus Abraham; Helmut Schafft; Christine Müller-Graf; Matthias Greiner. A probabilistic model for the carry-over of PCDD/Fs from feed to growing pigs. Chemosphere 2013, 93, 474 -479.

AMA Style

Julian Adolphs, Frank Kleinjung, Jorge Numata, Hans Mielke, Klaus Abraham, Helmut Schafft, Christine Müller-Graf, Matthias Greiner. A probabilistic model for the carry-over of PCDD/Fs from feed to growing pigs. Chemosphere. 2013; 93 (3):474-479.

Chicago/Turabian Style

Julian Adolphs; Frank Kleinjung; Jorge Numata; Hans Mielke; Klaus Abraham; Helmut Schafft; Christine Müller-Graf; Matthias Greiner. 2013. "A probabilistic model for the carry-over of PCDD/Fs from feed to growing pigs." Chemosphere 93, no. 3: 474-479.

Review
Published: 07 August 2013 in Photosynthesis Research
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We provide a minimal model for a structure-based simulation of excitation energy transfer in pigment–protein complexes (PPCs). In our treatment, the PPC is assembled from its building blocks. The latter are defined such that electron exchange occurs only within, but not between these units. The variational principle is applied to investigate how the Coulomb interaction between building blocks changes the character of the electronic states of the PPC. In this way, the standard exciton Hamiltonian is obtained from first principles and a hierarchy of calculation schemes for the parameters of this Hamiltonian arises. Possible extensions of this approach are discussed concerning (i) the inclusion of dispersive site energy shifts and (ii) the inclusion of electron exchange between pigments. First results on electron exchange within the special pair of photosystem II of cyanobacteria and higher plants are presented and compared with earlier results on purple bacteria. In the last part of this mini-review, the coupling of electronic and nuclear degrees of freedom is considered. First, the standard exciton–vibrational Hamiltonian is parameterized with the help of a normal mode analysis of the PPC. Second, dynamical theories are discussed that exploit this Hamiltonian in the study of dissipative exciton motion.

ACS Style

Thomas Renger; Mohamed El-Amine Madjet; Marcel Schmidt Am Busch; Julian Adolphs; Frank Müh. Structure-based modeling of energy transfer in photosynthesis. Photosynthesis Research 2013, 116, 367 -388.

AMA Style

Thomas Renger, Mohamed El-Amine Madjet, Marcel Schmidt Am Busch, Julian Adolphs, Frank Müh. Structure-based modeling of energy transfer in photosynthesis. Photosynthesis Research. 2013; 116 (2):367-388.

Chicago/Turabian Style

Thomas Renger; Mohamed El-Amine Madjet; Marcel Schmidt Am Busch; Julian Adolphs; Frank Müh. 2013. "Structure-based modeling of energy transfer in photosynthesis." Photosynthesis Research 116, no. 2: 367-388.

Journal article
Published: 01 March 2013 in Foodborne Pathogens and Disease
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The Shiga toxin–producing Escherichia coli O104:H4 outbreak in Germany in 2011 required the development of appropriate tools in real-time for tracing suspicious foods along the supply chain, namely salad ingredients, sprouts, and seeds. Food commodities consumed at locations identified as most probable site of infection (outbreak clusters) were traced back in order to identify connections between different disease clusters via the supply chain of the foods. A newly developed relational database with integrated consistency and plausibility checks was used to collate these data for further analysis. Connections between suppliers, distributors, and producers were visualized in network graphs and geographic projections. Finally, this trace-back and trace-forward analysis led to the identification of sprouts produced by a horticultural farm in Lower Saxony as vehicle for the pathogen, and a specific lot of fenugreek seeds imported from Egypt as the most likely source of contamination. Network graphs have proven to be a powerful tool for summarizing and communicating complex trade relationships to various stake holders. The present article gives a detailed description of the newly developed tracing tools and recommendations for necessary requirements and improvements for future foodborne outbreak investigations.

ACS Style

Armin A. Weiser; Stefan Gross; Anika Schielke; Jan-Frederik Wigger; Andrea Ernert; Julian Adolphs; Alexandra Fetsch; Christine Müller-Graf; Annemarie Käsbohrer; Olaf Mosbach-Schulz; Bernd Appel; Matthias Greiner. Trace-Back and Trace-Forward Tools Developed Ad Hoc and Used During the STEC O104:H4 Outbreak 2011 in Germany and Generic Concepts for Future Outbreak Situations. Foodborne Pathogens and Disease 2013, 10, 263 -269.

AMA Style

Armin A. Weiser, Stefan Gross, Anika Schielke, Jan-Frederik Wigger, Andrea Ernert, Julian Adolphs, Alexandra Fetsch, Christine Müller-Graf, Annemarie Käsbohrer, Olaf Mosbach-Schulz, Bernd Appel, Matthias Greiner. Trace-Back and Trace-Forward Tools Developed Ad Hoc and Used During the STEC O104:H4 Outbreak 2011 in Germany and Generic Concepts for Future Outbreak Situations. Foodborne Pathogens and Disease. 2013; 10 (3):263-269.

Chicago/Turabian Style

Armin A. Weiser; Stefan Gross; Anika Schielke; Jan-Frederik Wigger; Andrea Ernert; Julian Adolphs; Alexandra Fetsch; Christine Müller-Graf; Annemarie Käsbohrer; Olaf Mosbach-Schulz; Bernd Appel; Matthias Greiner. 2013. "Trace-Back and Trace-Forward Tools Developed Ad Hoc and Used During the STEC O104:H4 Outbreak 2011 in Germany and Generic Concepts for Future Outbreak Situations." Foodborne Pathogens and Disease 10, no. 3: 263-269.

Journal article
Published: 10 November 2011 in Journal of Consumer Protection and Food Safety
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The list of authors of the manuscript has been modified. The following is the correct list of authors Die Task Force EHEC:, Julian Adolphs, Bernd Appel, Helen Bernard, Martin Bisping, Juliane Bräunig, Bernd Broschewitz, Michael Bucher, Andrea Ernert, Alexandra Fetsch, Doris Förster, Oliver Frandrup-Kuhr, Gerd Fricke, Matthias Greiner, Stefan Gross, Christoph-Michael Hänel, Katrin Heusler, Petra Hiller, Jan Hoffbauer, Julia Jähne, Marcel Kalytta, Annemarie Käsbohrer, Norbert Kenntner, Andreas Kliemant, Désirée Krügerke, Simone Kuhlmey, Kristian Kühn, Manfred Kutzke, Wulf Ladehoff, Oliver Lehmensiek, Petra Luber, Olaf Mosbach-Schulz, Britta Müller, Christine Müller-Graf, Irina Otto, Albert Rampp, Annette Reinecke, Karen Remm, Bettina Rosner, Anika Schielke, David Trigo, Jürgen Wallmann, Armin Weiser, Heidi Wichmann-Schauer, Jan-Frederik Wigger The additionally added authors have the following affiliation J. Adolphs · B. Appel · J.

ACS Style

Julian Adolphs; Bernd Appel; Helen Bernard; Martin Bisping; Juliane Bräunig; Bernd Broschewitz; Michael Bucher; Andrea Ernert; Alexandra Fetsch; Doris Förster; Oliver Frandrup-Kuhr; Gerd Fricke; Matthias Greiner; Stefan Gross; Christoph-Michael Hänel; Katrin Heusler; Petra Hiller; Jan Hoffbauer; Julia Jähne; Marcel Kalytta; Annemarie Käsbohrer; Norbert Kenntner; Andreas Kliemant; Désirée Krügerke; Simone Kuhlmey; Kristian Kühn; Manfred Kutzke; Wulf Ladehoff; Oliver Lehmensiek; Petra Luber; Olaf Mosbach-Schulz; Britta Müller; Christine Müller-Graf; Irina Otto; Albert Rampp; Annette Reinecke; Karen Remm; Bettina Rosner; Anika Schielke; David Trigo; Jürgen Wallmann; Armin Weiser; Heidi Wichmann-Schauer; Jan-Frederik Wigger. Erratum to: Ergebnisbericht der Task Force EHEC zur Aufklärung des EHEC O104:H4 Krankheitsausbruchs in Deutschland. Journal of Consumer Protection and Food Safety 2011, 6, 517 -518.

AMA Style

Julian Adolphs, Bernd Appel, Helen Bernard, Martin Bisping, Juliane Bräunig, Bernd Broschewitz, Michael Bucher, Andrea Ernert, Alexandra Fetsch, Doris Förster, Oliver Frandrup-Kuhr, Gerd Fricke, Matthias Greiner, Stefan Gross, Christoph-Michael Hänel, Katrin Heusler, Petra Hiller, Jan Hoffbauer, Julia Jähne, Marcel Kalytta, Annemarie Käsbohrer, Norbert Kenntner, Andreas Kliemant, Désirée Krügerke, Simone Kuhlmey, Kristian Kühn, Manfred Kutzke, Wulf Ladehoff, Oliver Lehmensiek, Petra Luber, Olaf Mosbach-Schulz, Britta Müller, Christine Müller-Graf, Irina Otto, Albert Rampp, Annette Reinecke, Karen Remm, Bettina Rosner, Anika Schielke, David Trigo, Jürgen Wallmann, Armin Weiser, Heidi Wichmann-Schauer, Jan-Frederik Wigger. Erratum to: Ergebnisbericht der Task Force EHEC zur Aufklärung des EHEC O104:H4 Krankheitsausbruchs in Deutschland. Journal of Consumer Protection and Food Safety. 2011; 6 (4):517-518.

Chicago/Turabian Style

Julian Adolphs; Bernd Appel; Helen Bernard; Martin Bisping; Juliane Bräunig; Bernd Broschewitz; Michael Bucher; Andrea Ernert; Alexandra Fetsch; Doris Förster; Oliver Frandrup-Kuhr; Gerd Fricke; Matthias Greiner; Stefan Gross; Christoph-Michael Hänel; Katrin Heusler; Petra Hiller; Jan Hoffbauer; Julia Jähne; Marcel Kalytta; Annemarie Käsbohrer; Norbert Kenntner; Andreas Kliemant; Désirée Krügerke; Simone Kuhlmey; Kristian Kühn; Manfred Kutzke; Wulf Ladehoff; Oliver Lehmensiek; Petra Luber; Olaf Mosbach-Schulz; Britta Müller; Christine Müller-Graf; Irina Otto; Albert Rampp; Annette Reinecke; Karen Remm; Bettina Rosner; Anika Schielke; David Trigo; Jürgen Wallmann; Armin Weiser; Heidi Wichmann-Schauer; Jan-Frederik Wigger. 2011. "Erratum to: Ergebnisbericht der Task Force EHEC zur Aufklärung des EHEC O104:H4 Krankheitsausbruchs in Deutschland." Journal of Consumer Protection and Food Safety 6, no. 4: 517-518.

Research article
Published: 18 February 2010 in Journal of the American Chemical Society
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Optical line shape theory is combined with a quantum-chemical/electrostatic calculation of the site energies of the 96 chlorophyll a pigments and their excitonic couplings to simulate optical spectra of photosystem I core complexes from Thermosynechococcus elongatus. The absorbance, linear dichroism and circular dichroism spectra, calculated on the basis of the 2.5 Å crystal structure, match the experimental data semiquantitatively allowing for a detailed analysis of the pigment−protein interaction. The majority of site energies are determined by multiple interactions with a large number (>20) of amino acid residues, a result which demonstrates the importance of long-range electrostatic interactions. The low-energy exciton states of the antenna are found to be located at a nearest distance of about 25 Å from the special pair of the reaction center. The intermediate pigments form a high-energy bridge, the site energies of which are stabilized by a particularly large number (>100) of amino acid residues. The concentration of low energy exciton states in the antenna is larger on the side of the A-branch of the reaction center, implying an asymmetric delivery of excitation energy to the latter. This asymmetry in light-harvesting may provide the key for understanding the asymmetric use of the two branches in primary electron transfer reactions. Experiments are suggested to check for this possibility.

ACS Style

Julian Adolphs; Frank Müh; Mohamed El-Amine Madjet; Marcel Schmidt Am Busch; Thomas Renger. Structure-Based Calculations of Optical Spectra of Photosystem I Suggest an Asymmetric Light-Harvesting Process. Journal of the American Chemical Society 2010, 132, 3331 -3343.

AMA Style

Julian Adolphs, Frank Müh, Mohamed El-Amine Madjet, Marcel Schmidt Am Busch, Thomas Renger. Structure-Based Calculations of Optical Spectra of Photosystem I Suggest an Asymmetric Light-Harvesting Process. Journal of the American Chemical Society. 2010; 132 (10):3331-3343.

Chicago/Turabian Style

Julian Adolphs; Frank Müh; Mohamed El-Amine Madjet; Marcel Schmidt Am Busch; Thomas Renger. 2010. "Structure-Based Calculations of Optical Spectra of Photosystem I Suggest an Asymmetric Light-Harvesting Process." Journal of the American Chemical Society 132, no. 10: 3331-3343.

Journal article
Published: 31 October 2007 in Photosynthesis Research
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The legend in the top, left-hand panel in Fig. 6 of the original article was incorrect. The legend for the green line should read ‘Fit’ (see corrected Fig. 6 on this page). Fig. 6Comparison of 4 K absorption (OD), circular dichroism (CD) and linear dichroism (LD) experimental data (Wendling et al. 2002) (circles) with calculations, using the site energies obtained with different methods (Table 2) and a point dipole approximation (Eq. 10, f = 0.8)

ACS Style

Julian Adolphs; Frank Müh; Mohamed El-Amine Madjet; Thomas Renger. Calculation of pigment transition energies in the FMO protein. Photosynthesis Research 2007, 95, 211 -211.

AMA Style

Julian Adolphs, Frank Müh, Mohamed El-Amine Madjet, Thomas Renger. Calculation of pigment transition energies in the FMO protein. Photosynthesis Research. 2007; 95 (2):211-211.

Chicago/Turabian Style

Julian Adolphs; Frank Müh; Mohamed El-Amine Madjet; Thomas Renger. 2007. "Calculation of pigment transition energies in the FMO protein." Photosynthesis Research 95, no. 2: 211-211.

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Published: 05 October 2007 in Photosynthesis Research
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The Fenna–Matthews–Olson (FMO) protein of green sulfur bacteria represents an important model protein for the study of elementary pigment–protein couplings. We have previously used a simple approach [Adolphs and Renger (2006) Biophys J 91:2778–2797] to study the shift in local transition energies (site energies) of the FMO protein of Prosthecochloris aestuarii by charged amino acid residues, assuming a standard protonation pattern of the titratable groups. Recently, we have found strong evidence that besides the charged amino acids also the neutral charge density of the protein is important, by applying a combined quantum chemical/electrostatic approach [Müh et al. (2007) Proc Natl Acad Sci USA, in press]. Here, we extract the essential parts from this sophisticated method to obtain a relatively simple method again. It is shown that the main contribution to the site energy shifts is due to charge density coupling (CDC) between the pigments and their pigment, protein and water surroundings and that polarization effects for qualitative considerations can be approximated by screening the Coulomb coupling by an effective dielectric constant.

ACS Style

Julian Adolphs; Frank Müh; Mohamed El-Amine Madjet; Thomas Renger. Calculation of pigment transition energies in the FMO protein. Photosynthesis Research 2007, 95, 197 -209.

AMA Style

Julian Adolphs, Frank Müh, Mohamed El-Amine Madjet, Thomas Renger. Calculation of pigment transition energies in the FMO protein. Photosynthesis Research. 2007; 95 (2):197-209.

Chicago/Turabian Style

Julian Adolphs; Frank Müh; Mohamed El-Amine Madjet; Thomas Renger. 2007. "Calculation of pigment transition energies in the FMO protein." Photosynthesis Research 95, no. 2: 197-209.