Umweltberichterstattung von Unternehmen im Internet. Der aktuelle Stand für Deutschland

Von den Umweltberichten deutscher Unternehmen werden bisher erst unter 3% im Internet veröffentlicht. Die Tendenz ist steigend. Hier werden die im Internet verfügbaren Umweltberichte ausgewertet und Gründe für die Nutzung des Internet für die Umweltberichterstattung vorgetragen. Der Beitrag ist in fünf Abschnitte gegliedert: Zur thematischen Einführung werden betriebliche Umweltberichte durch eine Morphologie charakterisiert (Abschnitt 2). Es schließen sich die IKT-spezifischen Herausforderungen an umweltberichterstattende Unternehmen als Ansatzpunkte für Umweltberichte im Internet an (Abschnitt 3). Damit ist die Basis für eine Systematisierung der internetbasierten Unterstützungspotenziale zur Umweltberichterstattung gelegt (Abschnitt 4). Der Systematik folgt eine detaillierte Bestandsaufnahme der Umweltberichte deutscher Unternehmen im Internet in fünffacher Hinsicht (Abschnitt 5): Die zugrunde gelegte Untersuchungsmethodik zur Bestandsaufnahme wird erläutert (Abschnitt 5.1). Die ergänzend herangezogenen empirischen Studien zu Umweltberichten im Internet werden ausgewertet (Abschnitt 5.2). Die Ergebnisse bzgl. Inhalt und Darstellung von Umweltberichten im Internet werden ausführlicher beschrieben (Abschnitt 5.3) und durch Erklärungsansätze interpretiert (Abschnitt 5.4). Abschließend werden auf der Grundlage der konzeptionell erschließbaren Unterstützungspotenziale einerseits und der empirischen Studien andererseits zentrale Tendenzen zur zukünftigen Entwicklung von Umweltberichten im Internet vorgetragen (Abschnitt 5.5)

Physicochemical and MRI characterization of Gd3+-loaded polyamidoamine and hyperbranched dendrimers

Generation 4 polyamidoamine (PAMAM) and, for the first time, hyperbranched poly(ethylene imine) or polyglycerol dendrimers have been loaded with Gd3+ chelates, and the macromolecular adducts have been studied in vitro and in vivo with regard to MRI contrast agent applications. The Gd3+ chelator was either a tetraazatetracarboxylate DOTA-pBn4− or a tetraazatricarboxylate monoamide DO3A-MA3− unit. The water exchange rate was determined from a 17O NMR and 1H Nuclear Magnetic Relaxation Dispersion study for the corresponding monomer analogues [Gd(DO3A-AEM)(H2O)] and [Gd(DOTA-pBn-NH2)(H2O)]− (k ex 298 =3.4 and 6.6×106s−1, respectively), where H3DO3A-AEM is {4-[(2-acetylaminoethylcarbamoyl)methyl]-7,10-bis(carboxymethyl-1,4,7,10-tetraazacyclododec-1-yl)}-acetic acid and H4DOTA-pBn-NH2 is 2-(4-aminobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid. For the macromolecular complexes, variable-field proton relaxivities have been measured and analyzed in terms of local and global motional dynamics by using the Lipari-Szabo approach. At frequencies below 100MHz, the proton relaxivities are twice as high for the dendrimers loaded with the negatively charged Gd(DOTA-pBn)− in comparison with the analogous molecule bearing the neutral Gd(DO3A-MA). We explained this difference by the different rotational dynamics: the much slower motion of Gd(DOTA-pBn)−-loaded dendrimers is likely related to the negative charge of the chelate which creates more rigidity and increases the overall size of the macromolecule compared with dendrimers loaded with the neutral Gd(DO3A-MA). Attachment of poly(ethylene glycol) chains to the dendrimers does not influence relaxivity. Both hyperbranched structures were found to be as good scaffolds as regular PAMAM dendrimers in terms of the proton relaxivity of the Gd3+ complexes. The in vivo MRI studies on tumor-bearing mice at 4.7T proved that all dendrimeric complexes are suitable for angiography and for the study of vasculature parameters like blood volume and permeability of tumor vessel

Theoretical study of the hydrated Gd3+ ion: Structure, dynamics, and charge transfer

The dynamical processes taking place in the first coordination shells of the gadolinium (III) ion are important for improving the contrast agent efficiency in magnetic-resonance imaging. An extensive study of the gadolinium (III) ion solvated by a water cluster is reported, based on molecular dynamics simulations. The AMOEBA force field [P. Y. Ren and J. W. Ponder, J. Phys. Chem. B 107, 5933 (2003)] that includes many-body polarization effects is used to describe the interactions among water molecules, and is extended here to treat the interactions between them and the gadolinium ion. In this purpose accurate ab initio calculations have been performed on Gd3+-H2O for extracting the relevant parameters. Structural data of the first two coordination shells and some dynamical properties such as the water exchange rate between the first and second coordination shells are compared to available experimental results. We also investigate the charge transfer processes between the ion and its solvent, using a fluctuating charges model fitted to reproduce electronic structure calculations on [Gd(H2O)n]3+ complexes, with n ranging from 1 to 8. Charge transfer is seen to be significant (about one electron) and correlated with the instantaneous coordination of the ion

Seven New COST Chemistry Actions

Chemistry is, on one hand, a central basic science with a distinguished history and success in Europe, and, on the other hand, a very strong industry. In order to maintain and even to improve the position of the European Chemical Science and the European Chemical Industry, a framework for chemists in Europe within COST (European Cooperation in the field of Scientific and Technical Research) was initiated by launching, since 1992, a series of Chemistry Actions. The results of Swiss participating scientists in the first 15 Actions (D1–D15) were presented at the Second Swiss COST Chemistry Symposium, October 15, 1999, during the ILMAC in Basel. The Chemistry Technical Committee, with representatives from 28 European countries, has now selected in a bottom-up approach a series of seven new COST Chemistry Actions (D16–D22; see http://www.unil.ch/cost/chem/). In Switzerland, these Actions are financially supported by the Swiss Federal Office for Education and Science (Dr. Eva Klaper, OFES, Hallwylstrasse 4, P.O. Box 5675, CH–3003 Bern. Tel.: +41 31 322 96 67, Fax: +41 31 3227854, E-Mail: [email protected], website: http://www.admin.ch/bbw). A short description of these new Actions and the addresses of the contact persons in Switzerland are given below

Transient versus static electron spin relaxation in Mn2+ complexes relevant as MRI contrast agents

[Abstract] The zero-field splitting (ZFS) parameters of the [Mn(EDTA)(H2O)]2–·2H2O and [Mn(MeNO2A)(H2O)]·2H2O systems were estimated by using DFT and ab initio CASSCF/NEVPT2 calculations (EDTA = 2,2′,2″,2‴-(ethane-1,2-diylbis(azanetriyl))tetraacetate; MeNO2A = 2,2′-(7-methyl-1,4,7-triazonane-1,4-diyl)diacetate). Subsequent molecular dynamics calculations performed within the atom-centered density matrix propagation (ADMP) approach provided access to the transient and static ZFS parameters, as well as to the correlation time of the transient ZFS. The calculated ZFS parameters present a reasonable agreement with the experimental values obtained from the analysis of 1H relaxation data. The correlation times calculated for the two systems investigated turned out to be very short (τc ∼ 0.02–0.05 ps), which shows that the transient ZFS is modulated by molecular vibrations. On the contrary, the static ZFS is modulated by the rotation of the complexes in solution, which for the small complexes investigated here is characterized by rotational correlation times of τR ∼ 35–60 ps. As a result, electron spin relaxation in small Mn2+complexes is dominated by the static ZFS.España. Ministerio de Economía y Competitividad; CTQ2013-43243-PEspaña. Ministerio de Economía y Competitividad; CTQ2015-71211-RED

Soft systems methodology: a context within a 50-year retrospective of OR/MS

Soft systems methodology (SSM) has been used in the practice of operations research and management science OR/MS) since the early 1970s. In the 1990s, it emerged as a viable academic discipline. Unfortunately, its proponents consider SSM and traditional systems thinking to be mutually exclusive. Despite the differences claimed by SSM proponents between the two, they have been complementary. An extensive sampling of the OR/MS literature over its entire lifetime demonstrates the richness with which the non-SSM literature has been addressing the very same issues as does SSM

Stability and Hydrolysis Constants of N-Hydroxyethyliminodiacetates of the Rare Earths

The stability constants for the 1:1 and 1: 2 complexes formed between the tetradentate ligand N-hydroxyethyliminodiacetate (HIMDA) and the rare earth ions have been determined at 20°C and at a metal concentration of 0.1 M. The hydrolysis of the 1: 2 complexes has been investigated at 20°C in 0.15 M rare earth solutions; the protonation constants of the M(HIMDA)2OH2- complexes have approximately the same values between La and Gd, but decrease strongly from Gd through Lu

Phytohormonal effects on rhizosphere processes of maize (Zea mays L.) under phosphorus deficiency

Effects of the hormones indole-3-acetic acid (IAA), gibberellic acid (GA3), and trans-zeatin (t-Z) on growth, P status and rhizosphere processes of maize (Zea mays L., cv. 'Bezemara') were investigated in a pot experiment at two levels of phosphorus availability (+P: water soluble phosphate and -P: sparingly soluble tricalcium phosphate). Six weeks after seed germination, plants were harvested and analysed for dry weight, shoot length, root surface, P concentration, acid phosphatases activity (acid Pase) in shoot and rhizosphere and the content of carboxylic acids and sugars in the rhizosphere. ANOVA was used to estimate the effects of treatments on measured parameters. Hormone application via rhizosphere had a highly significant effect on the growth of whole plants, their P status and rhizosphere processes. GA3 and t-Z promoted quantitatively shoot and root growth and morphological changes, whereas IAA affected the chemical composition of the rhizosphere. In several parameters, the effects of hormone treatment depended on the P status of plants indicating different sensitivity of +P and -P plants to plant growth regulator (PGR) application (significant interaction of hormone application × P availability). The findings help to improve our knowledge, why PGR treatments and plant growth promoting rhizo-microorganisms have varying effects on plants depending on growth conditions

Hydroxy double salts intercalated with Mn(II) complexes as potential contrast agents

A series of Mn(II) aminophosphonate complexes were successfully synthesized and intercalated into the hydroxy double salt [Zn5(OH)8]Cl2·yH2O. Complex incorporation led to an increase in the interlayer spacing from 7.8 to 10–12 Å. Infrared spectroscopy showed the presence of the characteristic vibration peaks of the Mn(II) complexes in the intercalates' spectra, indicating successful incorporation. The complex-loaded composites had somewhat lower proton relaxivities than the pure complexes. Nevertheless, these intercalates may have use as MRI contrast agents for patients with poor kidney function, where traditional Gd(III)-based contrast agents cause severe renal failure