The Ca(2+)-induced conformational change of gelsolin is located in the carboxyl-terminal half of the molecule.

We have purified the two functionally distinct domains of gelsolin, a Ca(2+)-dependent actin binding protein, by proteolytic cleavage and characterized their size and shape in solution by dynamic light scattering. In the absence of calcium we obtained the same translational diffusion coefficient for both fragments which are of approximately equal molecular mass. The frictional ratio fo/fexp (1.33-1.39) is similar to the value as obtained for intact gelsolin (1.37) in aqueous solution (Patkowski, A., J. Seils, H. Hinssen, and T. Dorfmüller. 1990. Biopolymers. 30:427-435), indicating a similar molecular shape for the native protein as well as for the two subdomains. Upon addition of Ca2+ the translational diffusion coefficient of the carboxyl-terminal half decreased by almost 10%, while there was no change observed for the amino terminus. This result indicates that the ligand-induced conformational change as seen for intact gelsolin is probably located on the carboxyl-terminal domain of the protein. Since gelsolin has binding sites in both domains, and the isolated amino terminus binds and severs actin in a calcium-independent manner, our results suggests that the structural transition in the carboxyl-terminal part of intact gelsolin also affects the actin binding properties of the amino-terminal half.     

Let's Be Clear(er) about Substitution: A Reporting Framework to Account for Product Displacement in Life Cycle Assessment

The multifunctional character of resource recovery in waste management systems is commonly addressed through system expansion/substitution in life cycle assessment (LCA). Avoided burdens credited based on expected displacement of other product systems can dominate the overall results, making the underlying assumptions particularly important for the interpretation and recommendations. Substitution modeling, however, is often poorly motivated or inadequately described, which limits the utility and comparability of such LCA studies. The aim of this study is therefore to provide a structure for the systematic reporting of information and assumptions expected to contribute to the substitution potential in order to make substitution modeling and the results thereof more transparent and interpretable. We propose a reporting framework that can also support the systematic estimation of substitution potentials related to resource recovery. Key components of the framework include waste‐specific (physical) resource potential, recovery efficiency, and displacement rate. End‐use–specific displacement rates can be derived as the product of the relative functionality (substitutability) of the recovered resources compared to potentially displaced products and the expected change in consumption of competing products. Substitutability can be determined based on technical functionality and can include additional constraints. The case of anaerobic digestion of organic household waste illustrates its application. The proposed framework enables well‐motivated substitution potentials to be accounted for, regardless of the chosen approach, and improves the reproducibility of comparative LCA studies of resource recovery.     

Noise footprint from personal land‐based mobility

A large part of the world population is exposed to noise levels that are unhealthy. Yet noise is often neglected when impact assessment studies are conducted and when policy interventions are designed. In this study, we provide a way to calculate the noise footprint of citizens directly determined by their use of private and public transport on land. The study combines the results of the large transport simulation model MATSim applied to Switzerland, with a noise characterization model, N‐LCA, developed in the context of life cycle assessment. MATSim results allow tracking the use of private and public transportation by agents in the model. The results after characterization provide a consumption‐based noise footprint, thus the total noise and impacts that are caused by the private mobility demand of the citizens of Switzerland. Our results confirm that road transportation is the largest contributor to the total noise footprint of land‐based mobility. We also included a scenario with a full transition to an electrified car fleet, which showed the potential for the reduction of impacts, particularly in urban areas, by about 55% as compared to the modeled regime with combustion engines.     

Preferential pathways for light-trapping involving β-ligated chlorophylls

The magnesium atom of chlorophylls (Chls) is always five- or six-coordinated within chlorophyll-protein complexes which are the main light-harvesting systems of plants, algae and most photosynthetic bacteria. Due to the presence of stereocenters and the axial ligation of magnesium the two faces of Chls are diastereotopic. It has been previously recognized that the α-configuration having the magnesium ligand on the opposite face of the 17-propionic acid moiety is more frequently encountered and is more stable than the more seldom β-configuration that has the magnesium ligand on the same face [T.S. Balaban, P. Fromme, A.R. Holzwarth, N. Krauβ, V.I. Prokhorenko, Relevance of the diastereotopic ligation of magnesium atoms in chlorophylls in Photosystem I, Biochim. Biophys. Acta (Bioenergetics), 1556 (2002) 197-207; T. Oba, H. Tamiaki, Which side of the π-macrocycle plane of (bacterio)chlorophylls is favored for binding of the fifth ligand? Photosynth. Res. 74 (2002) 1-10]. In photosystem I only 14 Chls out of a total of 96 are in a β-configuration and these occupy preferential positions around the reaction center. We have now analyzed the α/β dichotomy in the homodimeric photosystem II based on the 2.9 Å resolution crystal structure [A. Guskov, J. Kern, A. Gabdulkhakov, M. Broser, A. Zouni, W. Saenger, Cyanobacterial photosystem II at 2.9 Å resolution: role of quinones, lipids, channels and chloride, Nature Struct. Mol. Biol. 16 (2009) 334-342] and find that out of 35 Chls in each monomer only 9 are definitively in the β-configuration, while 4 are uncertain. Ab initio calculations using the approximate coupled-cluster singles-and-doubles model CC2 [O. Christiansen, H. Koch, P. Jørgensen, The second-order approximate coupled cluster singles and doubles model CC2, Chem. Phys. Lett. 243 (1995) 409-418] now correctly predict the absorption spectra of Chls a and b and conclusively show for histidine, which is the most frequent axial ligand of magnesium in chlorophyll-protein complexes, that only slight differences (< 4 nm) are encountered between the α- and β-configurations. Significant red shifts (up to 50 nm) can, however, be encountered in excitonically coupled β-β-Chl dimers. Surprisingly, in both photosystems I and II very similar “special” β-β dimers are encountered at practically the same distances from P700 and P680, respectively. In purple bacteria LH2, the B850 ring is composed exclusively of such tightly coupled β-bacteriochlorophylls a. A statistical analysis of the close contacts with the protein matrix (< 5 Å) shows significant differences between the α- and β-configurations and the subunit providing the axial magnesium ligand. The present study allows us to conclude that the excitation energy transfer in light-harvesting systems, from a peripheral antenna towards the reaction center, may follow preferential pathways due to structural reasons involving β-ligated Chls.     

The DFPase from Loligo vulgaris in sugar surfactant-based bicontinuous microemulsions: structure, dynamics, and enzyme activity

The enzyme diisopropyl fluorophosphatase (DFPase) from the squid Loligo vulgaris is of great interest because of its ability to catalyze the hydrolysis of highly toxic organophosphates. In this work, the enzyme structure in solution (native state) was studied by use of different scattering methods. The results are compared with those from hydrodynamic model calculations based on the DFPase crystal structure. Bicontinuous microemulsions made of sugar surfactants are discussed as host systems for the DFPase. The microemulsion remains stable in the presence of the enzyme, which is shown by means of scattering experiments. Moreover, activity assays reveal that the DFPase still has high activity in this complex reaction medium. To complement the scattering experiments cryo-SEM was also employed to study the microemulsion structure.     

LCA of land-based freight transportation: facilitating practical application and including accidents in LCIA

Purpose

A major task concerning the greening of freight transportation is to influence the process of choosing an appropriate transport solution for a shipment. This paper presents the results of a detailed environmental benchmark study of freight transport chains recorded during a shipper survey administered in Switzerland in 2008.

Materials and methods

For the environmental evaluation, life cycle assessment was applied and enhanced with a new method for integrating damage to human health caused by traffic accidents based on the disability adjusted life year concept.

Results and discussion

The results show that in land-based transport, road generally has a lower environmental performance compared to intermodal and rail-only transport. Exceptions exist, e.g. for long pre- and post-haulage distances in intermodal transport or for very low train-load factors. The most relevant environmental interventions to pay attention to are, according to the methods applied, emissions of CO₂, NO_x and particulates as well as accident damages.

Conclusions

Rail transport is often, but not always, environmentally preferable than truck transport. Accident damages to human health should be included in each benchmark study. For practical application, a simplified benchmark methodology is proposed requiring a reduced level of detail for the input data.