bluuebunny/crossref_metadata_2025 huggingface dataset:
Additives in Plastics Applications
Authors: Todesco Roberto V. , Ergenc Nadi
Published: June 2006

The use of light stabilizers, e.g. UV-absorbers (UVA) and Hindered Amine Light Stabilizers (HALS) in thermoplastic polymers is highlighted. Examples are shown of what can be achieved in natural outdoor weathering as well as in accelerated weathering devices with UVA, HALS, UVA/HALS
combinations, HALS/HALS combinations, and the latest NOR-HALS technology. Both thin and thick article applications are discussed for polyolefins and some selected engineering plastics.Furthermore a new class of effect additives is shown, e.g. permanent antistatic additives and biocides,
including bacteriostats, algaecides, and fungicides.
Recyclage des oxydes de chrome hexavalent contenus dans les boues galvaniques
Authors: Raetzo Patrick
Published: June 2006

In view of a sustainable development, the recycling of chromium (VI) oxides from industrial sludges shows very interesting potential. The proposed process is based on solvent extraction followed by crystallization, the first results show good selectivities and the promise of economical
efficency.
Wetting and Dispersing Agents
Authors: Pirrung Frank O.H. , Quednau Peter H. , Auschra Clemens
Published: June 2006

The incorporation of inorganic and organic particles into liquid resin media is an important process step in the paint, graphic arts and plastics industries. Various classes of wetting and dispersing agents are used for this purpose. The physical principles, chemistry and stabilisation
mechanisms for both water- and solvent-based applications are described. A focus is directed towards the molecular architecture of high molecular weight dispersants, which exhibit superior and more universal characteristics than low molecular weight wetting agents. A preview of future developments
in this field completes this overview.
From A for Automobile to Z for Zest Coating Waxes – Properties Profile and Application
Authors: Krendlinger Ernst , Heinrichs Franz-Leo , Ehrhardt Heinz , Morgenroth Brigitte
Published: June 2006

As the primary component or as an additive with a content of less than three percent, waxes determine or modify the properties of the respective material system. The areas of application are numerous. The following article presents fundamental data on substance and structure as well
as on the manufacture of important waxes. Functions and properties of various wax additives are explained in detail using the examples of powder coating, UV coatings, the processing of technical thermoplastics, cleaning products, and plant protection products.
Chemical Reaction Engineering for Process Optimization: The Importance of Primary Processes on the Molecular Level
Authors: Renken Albert
Published: June 2006

Any innovative design of a chemical or biological reactor has to consider the dynamics of the primary physical and chemical steps involved in the overall process. For homogeneous highly viscous systems the mixing time is of crucial importance for the product quality. In heterogeneous
systems, product selectivity and reactor performance can be optimized under dynamic conditions.
Novel Structured Materials for Structured Catalytic Reactors
Authors: Kiwi-Minsker Lioubov
Published: June 2006

The use of filamentous catalysts for innovative design of chemical reactors with structured catalytic beds is discussed in detail. The fluid dynamics attained in such reactors avoid transport limitations (mixing or heat- and mass-transfer) and increase reactor performance/safety.
The Future of Chemical Engineering: Did You Say The Triplet 'Processus-Product-Process' Engineering?
Authors: Charpentier Jean-Claude
Published: June 2006

One key to survival in globalization of trade and competition, including needs and challenges, is the ability of chemical engineering to cope with the society and economic problems encountered in the chemical and related process industries. It appears that the necessary progress will
be achieved via a multidisciplinary and time and length multiscale integrated approach to satisfy both the market requirements for specific end-use properties and the environmental and society constraints of the industrial processes and the associated services. This concerns four main
objectives for engineers and researchers: (a) total multiscale control of the process (or procedure) to increase selectivity and productivity, (b) design of novel equipment based on scientific principles and new methods of production: process intensification, (c) manufacturing end-use properties
for product design: the triplet 'processus-product-process' engineering, (d) implementation of multiscale application of computational modeling and simulation to real-life situations: from the molecular scale to the overall complex production scale.
New Versatile Multipurpose Reactor
Authors: Barblan Men F. , Steinegger Fred
Published: June 2006

A new batch process facility at the University of Applied Sciences Basel, Switzerland, is not only multipurpose in the chemical sense but also in regard to its application in education and for R&D. In addition to being utilized in the teaching of regular student courses as well
as in courses with external participants, it will be regularly used to produce basic chemical building blocks to order and will serve as a test facility for further development of 'Key Performance Indicators'.
Capillary Electrophoresis in Forensic Toxicology
Authors: Plaut Olivier , Staub Christian
Published: June 2006

Capillary electrophoresis (CE) is a relatively young technology that can be applied to problems of interest in forensic sciences in general and toxicology in particular. Rapid analysis, high efficiencies, small sample and reagent requirements, and economical costs are advantages that
CE brings to forensic scientists. On the other hand, lack of sensitivity and maturity mean that CE is not yet well established in forensic labs as an additional tool, in spite of a very broad panel of applications, from ions and small molecules to macromolecules. This paper describes basic
operational theory of CE, some instrumental considerations, and applications related to forensic toxicology.
Gamma-hydroxybutyrate (GHB): A New Generation of Drugs from the Chemical Shelf
Authors: Iten Peter X. , Oestreich Andrea
Published: June 2006

The drug gamma-hydroxybutyrate (GHB, 'liquid ecstasy') reached Switzerland in 1998. We describe the analyses of seized liquids and body fluids, legal aspects, forensic cases (overdosing and car driving), effects and adverse effects, pharmacology and toxicology of GHB.
Forensic Analysis of Heroin and Cocaine Seizures
Authors: Briellmann Thomas A. , Dussy Franz E. , Bovens Micha G.
Published: June 2006

In the Section 'Forensic Chemistry and Toxicology' of the Swiss Society of Legal Medicine the group 'Forensic Chemistry' deals with the analysis of drugs of abuse. Some of the toxicology laboratories of the Swiss Institutes of Forensic Medicine also work in this field. The group organizes
its own proficiency tests for heroin, cocaine, THC, and amphetamine/designer drugs. Statistics about the percentages of heroin and cocaine in all drugs of abuse seizures analyzed in the Swiss laboratories are published on a yearly basis as an aid to the police or the public prosecutor service.
Members of the Group have prepared, by order and together with the Swiss Accreditation Service (metas), Guidelines for the accreditation of the laboratories performing drug of abuse testing. Laboratories which are equipped with an ion mobility spectrometer perform the analysis of trace
amounts of heroin and cocaine on hands, hair, nails, clothes and other materials (e.g. bank notes).
Modern GC-MS Technology in the Forensic Laboratory
Authors: Aebi Beat , Bernhard Werner
Published: June 2006

GC-MS is one of the most important techniques in today's forensic laboratory. It offers the possibility to screen biological and illicit drug samples for unknown compounds, to identify, confirm, and to quantitate them. This technique is very versatile and robust. The ionization technique
of electron impact is standard technology; it enables the use of mass spectral libraries with hundred thousands of reference spectra. The combination of a separation technique (GC) and a spectroscopic technique (MS) results in a very dependable analytic system that is highly respected in court.
The presented work will focus on some of the latest developments and will also give information on routine work.
Determination of Ethanol in Blood: Analytical Aspects, Quality Control, and Theoretical Calculations for Forensic Applications
Authors: Sutter Karl
Published: June 2006

According to current Swiss traffic law, a person with 0.8 g/kg or more of alcohol in the blood is not permitted to drive. Given special circumstances, driving under the influence of alcohol can be diagnosed even with less than 0.8 g/kg. The Federal Department of Justice and Police defines
how the analysis of blood samples taken from road traffic participants has to take place. The Swiss Federal Roads Authority is responsible for the implementation of these regulations. Other measurements of blood alcohol with a forensic background are done in the same way. Each blood sample
must be tested fourfold, twice with one method, twice with another. The enzymatic method (ADH) and gas chromatographic methods (GC) are currently certified for this. It is possible to adopt new methods once they receive scientific recognition. Procedures using GC columns with a clearly distinct
separation behavior and distinct internal standards are considered as separate methods. As an injection procedure, the headspace technique has gained general acceptance, while the flame ionization detector (FID) is used for detection. With respect to the homogeneity of the four measurements
there are statistical specifications to be complied with.Furthermore there are concrete specifications on the calibration of the test systems and internal quality checks to be implemented. As far as external quality checks are concerned, each laboratory has to participate in four interlaboratory
tests each year. These are organized by the Centre Suisse de Contrôle de Qualité (CSCQ) on behalf of the Swiss Federal Roads Authority. The laboratories which perform alcohol testing of blood samples from road traffic participants have to be accredited by the Swiss Federal Roads
Authority. At present there are ten accredited laboratories in Switzerland.
Festivities on the Hönggerberg Zürich The Inauguration of the New ETH Chemistry Buildings
Authors: Togni Antonio
Published: June 2006

The new chemistry buildings of ETH Zürich at the Hönggerberg site were inaugurated on November 1 – 4, 2001. Appropriately for a new research and teaching facility, the festivities included a one-day scientific symposium. Seven speakers, including two high-rank representatives
from industry, highlighted some of the most innovative research avenues in the chemical sciences. The importance of fundamental research in chemistry was stressed as a key factor for sustainable growth in a global society.
Explosion Prevention: Legislation and Risk Management Prévention des explosions: législation et management des risques
Authors: Choukroun Gilbert
Published: June 2006

Prevention of the risk of explosion is subject to legislation by laws, ordinances and directives. Where, when, and how should we intervene in this process? New tools are available: organization, risk analyses, near-accidents analyses, check-lists, motivation, communication, workers'
participation in processes, mentoring for new staff, health protection, and absenteeism management.
Catalytic Hydrogenation in the Liquid Phase
Authors: Roessler Felix
Published: June 2006

Catalytic hydrogenation in the liquid phase is a very common reaction type in the production of fine chemicals and pharmaceuticals. Among the various reaction techniques, it is the slurry technique (stirred tank or venturi type loop reactor) in a semi-batch mode which is most frequently
used. General safety aspects of catalytic hydrogenations will be discussed und exemplified for a typical three-phase semi-batch catalytic hydrogenation.
Liquid Oxygen – Fire Hazards of Oxygen and Oxygen-Enriched Atmospheres
Authors: Wicki Roland
Published: June 2006

Oxygen, which is essential to life, is not flammable in itself but supports and accelerates combustion. The normal concentration in the air that we breathe is approximately 21% by volume. Most materials burn fiercely in oxygen; the reaction could even be explosive. As the oxygen concentration
in air increases the potential fire risk increases. Being heavier than air, oxygen can accumulate in low lying areas such as pits, trenches or underground rooms. This is particularly relevant when liquid oxygen spills out. In that case the generated cold gaseous oxygen is three times heavier
than air. As 1 l of liquid oxygen liberates circa 850 l of gas, the phenomenon of oxygen enrichment is massively amplified by a spill of liquid oxygen, and thus fire risk is increased.
Opportunities and Limits of the Use of Azides in Industrial Production. Implementation of Safety Measures
Authors: Hagenbuch Jean-Pierre
Published: June 2006

Azides are very versatile precursors of organic synthesis functionalities such as amines, isocyanates, sulfonamides, triazoles, tetrazoles, triazolines, aziridines, amino acids and diazo compounds. In industry, one of the favourite starting materials for these syntheses is sodium azide
which can generate hydrazoic acid whose toxicity and detonation potential is of major safety concern. However sodium azide is used daily in large tonnage in the air-bags of vehicles, in biologic institutes as a bactericide and in agriculture as a herbicide. In industrial synthesis, sodium
azide is actually the starting material of herbicides, anti-HIV pharmaceuticals, anti-pain compounds and hypo tensors. This massive use of sodium azide represents severe toxicological and physical damage risks. The industrial synthesis under the scope of this presentation will be the manufacture
of a tetrazole produced in several tens of tons per year. A risk assessment concluded that it would be necessary to conduct the reaction in a 'Bunker' and to minimise risks by absolutely avoiding generation of hydrazoic acid. This can be achieved by a careful design of the process and by strict
organisational measures. Furthermore, the reaction equipment was designed to prevent any condensation of hydrazoic acid. One way to prevent its formation is to maintain the reaction medium under basic conditions at all times. This is achieved by using triethylamine hydrochloride as a buffer.
In the applied reaction conditions it could be demonstrated that triethylamine was the refluxing compound at 130 °C and that a thermally stable triethyl ammonium azide was formed. The environmental problem could be resolved by incineration of the wastewaters. In conclusion, reactions with
sodium azide are safe, they only need a stabilising agent. A search for such compounds could be an interesting but rather dangerous research project.
Dust Explosions – Hazards, Prevention, and Protection
Authors: Glor Martin
Published: June 2006

An overview of the occurrence and characteristics of dust explosions is given. The prerequisites for the formation of a dust explosion are discussed. In particular the importance of the knowledge of the safety characteristic data to assess the ignition hazards due to the different ignition
sources occurring in practice is outlined and explained. The measures of explosion prevention and explosion protection are summarized and their advantages, disadvantages, limits and requirements are listed.
The Discovery of Bifenazate, a Novel Carbazate Acaricide
Authors: Dekeyser Mark A. , McDonald Paul T. , Angle Gilbert W.
Published: June 2006

A history of the discovery of the novel carbazate acaricide, bifenazate, is outlined. When a novel ortho-biphenyl substituted hydrazide compound showed acaricidal activity in the pesticide discovery screen, a small number of analogs were made to confirm and explore acaricidal
effects. An ortho-biphenylcarbazate analog gave significantly greater acaricidal activity. Thereafter, several hundred structurally-diverse biphenyl-substituted carbazate analogs were synthesized and evaluated in a bioassay with the two-spotted spider mite (Tetranychus urticae
Koch) in order to optimize the acaricidal activity. As a result of the optimization process, bifenazate, the analog with a methoxybiphenyl substituent to the terminal nitrogen atom of isopropyl carbazate, was selected for development and registration.
The Synthesis and Biological Activity of 1-Alkyl-4-(3-azacyclobenzoyl)-5-hydroxypyrazole Herbicides
Authors: Benko Zoltan , Shinkle Sharon , Van Heertum John , Jackson Johnny , McQuiston Jeffery , Webster Jeffery , Turner James , Weimer Monte , Paterson Eileen
Published: June 2006

The benzoylpyrazoles belong to a class of herbicides that inhibit the enzyme 4-hydroxy-phenylpyruvate dioxygenase (HPPD). This mode of action is characterized by bleaching due to the disruption of plastoquinone and ?-tocopherol biosynthesis. Early studies indicated that the C(3)
position of benzoylpyrazoles can accommodate a wide range of functionality. This paper describes synthetic efforts to improve cool season grass weed activity and wheat selectivity by incorporating cyclic moieties attached through nitrogen at this position. The aza substituents were generally
installed by nucleophilic aromatic substitution, however, an efficient four-step method was developed for constructing substituted morpholino moieties directly on pre-formed benzoylpyrazoles. The structure–activity relationships revealed that certain piperidino moieties provided good
activity on wild oat, while exhibiting selectivity toward wheat. They also showed that excellent levels of activity on wild oat and blackgrass can be achieved with morpholino substituents.
Spirodiclofen and Spiromesifen – Novel Acaricidal and Insecticidal Tetronic Acid Derivatives with a New Mode of Action
Authors: Bretschneider Thomas , Benet-Buchholz Jordi , Fischer Reiner , Nauen Ralf
Published: June 2006

The broad spectrum acaricides spirodiclofen (BAJ2740, trade name: Envidor®) and spiromesifen (BSN2060, trade name: Oberon®) with an additional excellent activity against whiteflies, both belong to the new chemical class of tetronic acid derivatives discovered
at Bayer CropScience during the 1990s. The discovery process starting from herbicidal PPO (protoporphyrinogen oxidase) chemistry, the synthetic routes leading to the products, and some insight into process development of central intermediates is given. Spirodiclofen and spiromesifen have a
new mode of action (interference with lipid biosynthesis), show no cross-resistance to any resistant mite or whitefly field population and are therefore valuable tools for resistance management.
Authenticity Control of Alpine Aromatic Plants by Enantioselective Gas Chromatography–Mass Spectrometry. Part 1: White genepi (Artemisia umbelliformis Lam.)
Authors: Wüst Matthias , Piantini Umberto
Published: June 2006

A method for the authenticity control of the alpine aromatic plant white genepi (Artemisia umbelliformis Lam.) was developed by means of coupling headspace solid-phase microextraction with enantioselective GC–MS. By using heptakis[2,3-di-O-methyl-6-O-tert.-butyldimethylsilyl)-?-cyclodexrin
as stationary phase the chiral monoterpenes borneol, ?-pinene, ?-pinene, and ?-terpineol could be analyzed simultaneously allowing their enantiomeric ratios to be used as reliable indicators of genuine white genepi plant material.
Fungicidal meta-Substituted Strobilurin Analogs
Authors: Walker Michael P.
Published: June 2006

Strobilurin analogs in which the side chain is in a meta-relationship to the pharmacophore are active fungicides provided an ortho-group is also present. Syntheses, fungicidal screening results and structure–activity relationships for these compounds are described.
A new pharmacophore synthesis from aniline precursors is also detailed.
Synthesis and Herbicidal Activity of Phenylpyridines – A New Lead
Authors: Schäfer Peter , Hamprecht Gerhard , Puhl Michael , Westphalen Karl-Otto , Zagar Cyrill
Published: June 2006

Novel phenylpyridines were synthesized based on molecular modeling oriented design by superposition of herbicidal phenyl-uracils, -indazoles, and diphenylethers. Their preparation follows Suzuki-type coupling conditions of reactive 2-chloro-pyridines with appropriate 2,5-substituted
4-chloro-phenyl boronic acids. Depending on the nature of substituents in the pyridine, and in particular the phenyl group, a large number of derivatives are readily accessible. Besides open-chain phenylpyridines also anellated compounds, such as pyridine-substituted 2H-1,4-benzothiazin-3(4H)-one
or 3,4-dihydro-1H-quinolin-2-one, were prepared. Phenylpyridines act by inhibition of protoporphyrinogen-IX-oxidase. Their synthesis will be described in conjunction with structure–activity relationships. Phenylpyridines are highly active against many important broadleaf and grass weed
species under pre- and – in particular – post-emergent conditions.
1?4,2,4,6-Thiatriazines with Herbicidal Activity
Authors: Stoller André , Kreuz Klaus , Haake Manfred , Wenger Jean
Published: June 2006

1?4,2,4,6-thiatriazines were identified as a novel class of herbicides. Their interesting effects on plants as well as their uncommon structures incited further studies. In addition to the initial sulfodiimine based preparation method, a flexible synthetic route was
designed giving access to a larger array of compounds. The poor initial biological activity was improved and compounds with very high herbicidal activity were identified. Thiatriazines have been found to be unique and very potent inhibitors of the biosynthesis of cellulose, which is a major
component of the plant cell wall. While the precise biochemical site of thiatriazine action is not yet known, they are known to induce the formation of a non-crystalline ?-1,4-glucan, as opposed to previously described herbicides which inhibit cellulose biosynthesis. Studies on the uptake,
translocation and metabolism of a representative thiatriazine provided evidence for crop selectivity on the basis of differential rates of metabolism in various plant species.
Water Treatment Without Chemistry
Authors: Rychen Philippe , Haenni Werner , Pupunat Laurent
Published: June 2006

Thin-film boron-doped diamond coatings (BDD/Si) on boron-doped silicon substrates by means of a large-scale hot-filament chemical vapor deposition (HF CVD) process have been developed in order to be used as an innovative and efficient electrode material, mainly to promote electrochemical
water treatment applications without using chemicals. Electrochemical performance from anodic as well as cathodic points of view results from extremely high chemical and mechanical stabilities as well as the largest known electrochemical window. They correspond to the primary conditions for
an electrode in order to facilitate water processing like disinfection and reduction of the chemical oxygen demand (COD). These electrodes have the production capacity of the strongest chemical oxidizing agents in water i.e. hydroxyl radicals. They may also be responsible for the electrochemical
generation of other strong oxidants like chlorine, ozone, peroxo-disulfates, peroxo-dicarbonates and hydrogen peroxide in many types of water, i.e. seawater, wastewater and fresh water, without the addition of any components.
Exploiting the Second Coordination Sphere: Proteins as Host for Enantioselective Catalysis
Authors: Ward Thomas R. , Collot Jérôme , Gradinaru Julieta , Loosli Andreas , Skander Myriem , Letondor Christophe , Joseph Edith , Klein Gérard
Published: June 2006

With the aim of exploring the role of the second coordination sphere in enantioselective catalysis, achiral organometallic catalyst precursors are anchored in proteins via non-covalent interactions. A chemogenetic procedure allows the activity and the enantioselectivity of the
artificial metalloenzymes to be optimized, to yield hybrid catalysts with features reminiscent both of enzymatic and homogeneous catalysts.
Supramolecular Cluster Catalysis: A Case Study of Benzene Hydrogenation
Authors: Therrien Bruno , Vieille-Petit Ludovic , Tschan Mathieu , Romakh Vladimir B. , Süss-Fink Georg
Published: June 2006

The hydrogenation of benzene to give cyclohexane, catalysed under biphasic conditions by the water-soluble trinuclear arene ruthenium cluster cations [H3Ru3(C6H6)(C6Me6)2(O)]+ (1), [H3Ru3(C6H5Me)(C6Me6)2(O)]+
(2), [H3Ru3(1,4-MeC6H4Pri)(C6Me6)2(O)]+ (3), [H3Ru3(1,2,4,5-C6H2Me4)3(O)]+ (4), [H3Ru3{C6H5(CH2)2OH}(C6Me6)2(O)]+
(5), and [H3Ru3{C6H5(CH2)3OH}(C6Me6)2(O)]+ (6), is believed to occur within the hydrophobic pocket spanned by the three arene ligands of the trinuclear cluster, thus
forming a supramolecular catalyst–substrate host–guest complex. This paper is a short overview of our research efforts directed to a new catalytic concept for which we coined the term 'supramolecular cluster catalysis'.
Nano-Structuring by Molecular Self-Assembly
Authors: Minelli Caterina , Hempenius Mark , Vancso Julius , Diederich François , Joester Derk , Pugin Raphaël , Hinderling Christian , Jeney Sylvia , Liley Martha , Losson Myriam , Blondiaux Nicolas , Heinzelmann Harry
Published: June 2006

In contrast to conventional lithography techniques which will soon hit their limits in terms of feature size and fabrication cost, recent years have seen considerable progress in the development of self-assembling nano-structured surfaces. In the work reported here, surface structures
on the submicron scale have been created from polymer, copolymer, nanoparticle, and dendrimer building blocks by employing phenomena such as self-assembly, self-organization and non-equilibrium processes. This low-cost approach is expected to result in a new generation of surfaces with novel
physical and chemical properties.
Qualitative Analysis of Grapevine Tannins by Mass Spectrometry and their Inhibitory Effect on Stilbene Oxidase of Botrytis cinerea
Authors: Perret Camille , Pezet Roger , Tabacchi Raffaele
Published: June 2006

The pure tannin extracts from grape berries of Gamay and Gamaret varieties contain a mixture of proanthocyanidins and proanthocyanidin gallates. A sensitive LC-MS method has been developed for the qualitative analysis of the oligomers and polymeric fractions. The potential of ESI-IT
or MALDI-TOF mass spectrometry permit us to characterize these tannins. Polymers were fractionated according to the mean degree of polymerization (mDP), using either a divinylbenzene phase or a glass powder. The mDP is obtained by thiolysis reaction and the fractions are analyzed by MS. Polymeric
proanthocyanidins (PPRA) were purified from grape berries at full bloom, pea size, bunch closure, véraison and harvest, their mDP calculated and their inhibitory capacity on B. cinerea stilbene oxidase tested at 3.5 to 70 nmoles for 3 ml of enzymatic reaction volume. ED50 of
PPRA concentrations was measured for each developmental stage and for both grape varieties Gamay (sensitive to grey mould) and Gamaret (resistant). The higher the mDP of PPRA fraction, the more effective is the inhibitory activity. From grape berry pea size, mDP of PPRA of Gamaret (9.53 to
11.77) were always higher than those of Gamay (7.46 to 8.74) and ED50 of Gamaret PPrA were under 5 nmoles 3ml?1 while ED50 of Gamay PPRA were at 6.5 to 7.25 nmoles 3 ml?1.
Dimensionality Changes in Crystalline Complexes Induced by Exposure to Air: Solid-State Studies Using Single Crystal and Powder X-ray Diffraction Methods
Authors: Neels Antonia , Alfonso Montserrat , Mantero Déborah González , Stoeckli-Evans Helen
Published: June 2006

When they come into contact with air, coordination compounds can often change their appearance. For instance, the colour of the compound can change as transparent crystals become opaque microcrystalline solids. This visible transformation of the compound is frequently accompanied by
structural modifications due to loss of solvent molecules or in the reverse case, the reaction with water from the air. Often, the dimensionality of the structures also varies and this aspect is demonstrated for three pairs of copper(II) complexes (1D ? 0D, 1D ? 2D and 3D ?
2D). The complementary use of single crystal and powder X-ray diffraction methods is indispensable for the evaluation of these structural changes.
Occurrence and Fate of Organic Micropollutants in the Environment: Regional Mass Balances and Source Apportioning in Surface Waters Based on Laboratory Incubation Studies in Soil and Water, Monitoring, and Computer Modeling
Authors: Poiger Thomas , Buser Hans-Rudolf , Müller Markus D. , Balmer Marianne E. , Buerge Ignaz J.
Published: June 2006

Research activities at the plant protection chemistry group of the Federal Research Station in Wädenswil, Switzerland, are primarily focused on the environmental behavior of pesticides and, in some cases, other organic micropollutants. Many old and modern pesticides are chiral
and there is growing interest from registration authorities and companies in the different biological activity and environmental behavior and impact of individual stereoisomers. The environmental behavior of chiral pesticides is thus one of our main areas of research. We use monitoring data
(e.g. surface waters, wastewater) to establish regional mass balances of a chemical (e.g. in the catchment area of a lake). Mass balances often indicate possible sources and presence of elimination processes such as (bio)degradation, sorption/sedimentation, and volatilization.
Elimination processes are further investigated in model systems in the laboratory, including batch incubations in soil and water under different regimes (light/dark, sterile/non-sterile), to distinguish between biotic and abiotic (photolysis, hydrolysis) processes. Environmental models are
then used to rationalize the chemodynamics of micropollutants in natural systems, integrating data from monitoring and model systems. In some cases, it is possible to use the data for source apportioning of pollutants in the environment, and for monitoring (or prediction) of the effectiveness
of pollution prevention measures. In the following report, three examples will be presented which illustrate the general approach outlined above to study the environmental occurrence and behavior of organic micropollutants. These examples include the chiral herbicide mecoprop and the chiral
pharmaceutical drug ibuprofen, as well as the ubiquitous natural compound caffeine.
Analytical and Environmental Chemistry in the Framework of Risk Assessment and Management: The Lagoon of Venice as a Case Study
Authors: Pojana Giulio , Critto Andrea , Micheletti Christian , Carlon Claudio , Busetti Francesco , Marcomini Antonio
Published: June 2006

Prevention of toxic pollutant discharge and remediation of contaminated sediments and soils are topics increasingly addressed by the scientific community and the stakeholders. The research activity carried out on the lagoon of Venice highlights the crucial role played by analytical
and environmental chemistry in assessing the environmental behavior of chemicals (i.e. occurrence level, transformation, ultimate fate) and exposure of human and environmental targets to pollutants. The extrapolation from analytical data to decisional steps was accomplished by data
treatment (descriptive and multivariate statistics, spatial statistics), environmental modeling (e.g. partitioning bioaccumulation models and linear regression models), environmental risk assessment (ERA), and a GIS-based Decision Support System (DSS). Results obtained by this integrated
approach supported analytical and environmental chemistry by improving the selection of priority pollutants, optimizing sampling design, and identifying critical environmental pathways. Both uncertainty minimization and cost saving of the overall decision process could be achieved. Selected
results are presented here on the application of the proposed approach to the contaminated sediments of the lagoon of Venice and to the brownfield of the Porto Marghera industrial district. Both well-known persistent pollutants (e.g. polychlorinated dioxins/furans (PCDD/Fs), polychlorinated
biphenyls (PCBs), polycyclic aromatic hydrocarbons (PAHs), metals and metalloids, and aromatic surfactants and their metabolites), as well as new classes of pollutants (e.g. endocrine disrupting compounds, EDCs) were investigated. The analytical data indicated that the most persistent
and toxic organic and inorganic chemicals were found mainly in bottom sediments (especially those near the Porto Marghera industrial district), while substances such as surfactants and their metabolites and EDCs occurred mainly in water and were redistributed over the whole lagoon. Exposure
characterization allowed Environmental Risk Assessment (ERA) to be undertaken, including the estimation of risk for both human and environmental health. The ERA procedure, developed according to a tiered approach, was applied to contaminated soils of the Porto Marghera industrial district.
The ecological risk associated with contaminated lagoon sediments for the benthic community and aquatic food web was also assessed, resulting in a significant risk posed especially by mercury, cadmium and PAHs. Finally, a risk-based decision support system (DSS) for the rehabilitation of the
Porto Marghera contaminated site was developed, which included environmental risk and remediation technologies.
Old Sins Throw Long Shadows – Old and Emerging Persistent Organic Pollutants in the Swiss Environment
Authors: Schmid Peter , Kohler Martin , Gerecke Andreas C. , Gujer Erika , Zennegg Markus , Wolfensberger Max
Published: June 2006

Temporal trends and concentrations of dioxins and polybrominated diphenyl ethers in the Swiss environment are presented.
High-Resolution Gas Chromatography-Tandem Mass Spectrometry: A Sensitive Analytical Technique Suitable for the Study of Atmospheric Processes of Polychlorinated Biphenyls and Dibenzo-p-Dioxins/Furans
Authors: Mandalakis Manolis , Stephanou Euripides G.
Published: June 2006

The trace-level environmental determination of polychlorinated biphenyls (PCBs) and 2,3,7,8-substituted polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) requires the use of delicate fractionation and analytical techniques such as high-resolution gas chromatography
coupled with high-resolution mass spectrometry. The analytical requirements are even higher if atmospheric physicochemical processes of these persistent organic compounds (POPs) are to be studied in remote areas, where concentrations are very low. The optimization of a fractionation method,
and of the high-resolution gas chromatography/ion trap tandem mass spectrometry system instrumental parameters enabled us to establish the optimum conditions for the determination of atmospheric PCBs and PCDD/Fs at the low pg or even fg m-3 level. By using this analytical procedure,
we accomplished the reliable determination of ca. 54 PCBs and 17 PCDD/Fs individual congeners, of different chlorination level, in the gas and particulate phase of atmospheric aerosol samples collected from the Eastern Mediterranean basin. Furthermore, we were also able to study the
atmospheric physicochemical and loss processes of PCBs, such as gas-particle partitioning, wet and dry deposition, and PCBs reaction with hydroxyl radicals.
Environmental Analytical Research in Northern Vietnam – A Swiss-Vietnamese Cooperation Focusing on Arsenic and Organic Contaminants in Aquatic Environments and Drinking Water
Authors: Giger Walter , Berg Michael , Pham Hung Viet , Duong Hong Anh , Tran Hong Con , Cao The Ha , Schertenleib Roland
Published: June 2006

A long-term education and research partnership has been established between the Swiss Federal Institute for Environmental Science and Technology (EAWAG) and two university institutes in Hanoi. Here we give a summary report on environmental analytical investigations conducted in cooperation
with the Hanoi University of Science focusing on (i) arsenic contamination in ground and drinking water, (ii) volatile organic compounds (VOCs) including disinfection by-products and chlorination practice in drinking water, (iii) analysis and occurrence of organophosphorus pesticides in rice
growing areas, and (iv) chlorinated phenols and other chlorinated pollutants in wastewater of a pulp and paper mill. Arsenic concentrations ranged from 1 to 3050 ?g/l (average 159 ?g/l) in groundwater from the city of Hanoi and surrounding rural areas. The high arsenic levels indicate
that several million people consuming untreated groundwater might be at a considerable risk of chronic arsenic poisoning. Water produced by the Hanoi waterworks is partly affected by arsenic, but VOCs and disinfection by-products were below international guideline limits. However, the current
chlorination practice was found to be critical regarding water quality issues. Chlorinated pollutants were particularly abundant in wastewater effluents of pulp bleaching, suggesting that point-of-source treatment options should be implemented. The high pesticide concentrations measured in
rice fields (>500 ?g/l) were rapidly flushed into ambient surface waters, where beneficial organisms could be affected.
Biogeochemistry of Aromatic Surfactants in Microtidal Estuaries
Authors: Ahel Marijan , Terzic Senka
Published: June 2006

This paper summarizes several studies on input, distribution, and fate of two different types of aromatic surfactants, the anionic linear alkylbenzene sulphonates (LAS) and nonionic alkylphenol polyethoxylates (APnEO), in a karstic estuary characterized by sharp salinity gradients.
A combination of reversed-phase and normal-phase HPLC analysis followed by spectrofluorimetric detection allowed detailed characterization of homologue and oligomer compositions of aromatic surfactants in wastewater and estuarine waters. The distribution patterns of homologues and/or oligomers
in the wastewater plume reveal a significant alteration of the original composition of both surfactants by biotransformation and physico-chemical partitioning. The vertical distribution of surfactant residues in the estuarine water column is characterized by pronounced maxima at the air–brackish
water and brackish water–sea water interface. The brackish water–sea water interface is a very efficient barrier, which prevents spreading of surfactants into the deeper layers. In addition, the interface seems to be a site of high biological activity, including biotransformation
of surfactant residues. As a consequence, this layer can contain enhanced levels of lipophilic metabolites of APnEO. Biotransformation is the main mechanism for the removal of both surfactant classes from the water column. However, our studies suggest that a significant percentage of surfactant
residues discharged into the stratified estuaries reaches the coastal sea due to the incomplete removal in the estuary. This situation is a consequence of a rather fast flushing of the brackish layer and a very slow biotransformation kinetics in the saline layer, especially in the winter period.
From Effluent to New Water: Performance Evaluation and Quality Assurance
Authors: Reinhard Martin , Montgomery-Brown John , Louie Jennifer S. , Gross Birgit
Published: June 2006

As water reuse becomes increasingly important to satisfy water demand, ensuring the quality of recycled wastewater becomes ever more vital. Pharmaceuticals (PhACs) and alkylphenol polyethoxylates (APEOs) metabolites are two groups of chemicals that are commonly present in treated effluent
and have received attention for their demonstrated or potential biological effects. In this paper we present data on the effects of river transport, wetland treatment, and groundwater recharge on the attenuation of these emerging chemicals. Using data from three advanced water treatment plants,
we also report on the efficiency of microfiltration, reverse osmosis and ultraviolet oxidation in removing these compounds from advanced treated effluents. With respect to natural attenuation processes, decreases in pharmaceutical concentrations during river transport were likely attributed
to sediment sorption and chemical and biological degradation or transformation. Wetland treatment was less efficient when compared to river transport. Groundwater recharge appeared to be an effective removal process (> 99% attenuation) for PhACs and APEO metabolites, although trace levels
of the latter can travel substantial distances in the subsurface. With regards to the engineered treatment options, reverse osmosis was capable of almost complete rejection of all PhACs and APEO metabolites analyzed, whereas the performances of microfiltration and UV treatment were much less
efficient and consistent.
Space Biology Group: Basic Research, Biotechnology, Tissue Engineering, and Instrument Development
Authors: Walther Isabelle , Cogoli Augusto
Published: June 2006

At the beginning of space flight, the investigations were oriented essentially toward the health of the astronauts. But in the last three decades space biology has evolved from 'try-and-see' experiments to sophisticated basic and applied research with well-based hypotheses as well as
studies on the use of low gravity in biological applications. In 1977 the Space Biology Group of the Swiss Federal Institute of Technology, Zürich, began its activities in space research. A summary of the experiments performed to date, from basic research on the human immune system to
the development of sophisticated instruments for biotechnology and medical application, is presented here.
Levitronix GmbH: Centrifugal Pump without Bearings or Seals
Authors: Gempp Thomas
Published: June 2006

By combining a canned-motor with a magnetically levitated pump impeller, Switzerland's Levitronix GmbH has achieved a centrifugal pump with neither shaft seals nor impeller bearings. This has many advantages for the handling of a range of sterile, shear-sensitive or delicate fluids.
The feasibility concept was first demonstrated in 1995 by a group at Sulzer Electronics and ETH Zürich who went on to establish Levitronix in January 2001 in order to develop and commercialize the technology. The basics of the pump's design and its advantages for a number of medical and
industrial applications is explained.
Neuronics AG: Handling Robots Equipped with Highly Redundant Sensors
Authors: Früh Hansruedi
Published: June 2006

Flexible and adaptive robot manipulators are useful to automate or assist diverse tasks in laboratories. Neuronics AG has developed a light-weight robot manipulator which is equipped with sensors of different modalities. This allows easy programming based on teaching and training sets
which categorize sensory data based on examples.
Rainbow Photonics: Growth of Nonlinear Optical DAST Crystals
Authors: Lavéant Pierre , Medrano Carolina , Ruiz Blanca , Günter Peter
Published: June 2006

DAST (4-N,N-dimethylamino-4'-N'-methyl stilbazolium tosylate) is an organic salt with one of the highest nonlinear optical susceptibilities and electro-optical coefficients. DAST crystals are therefore seen as good candidates for many photonic applications such as microring resonators
or for THz-devices. The quality of such organic crystal is crucial for any application. We discuss here two different growth methods of single crystalline DAST from solution. Bulk crystals, 1 cm3 in size, and thin crystals, 1 mm2 for a thickness of about 100 ?m are
obtained. The use of a DAST crystal for a microring resonator is also presented
pnn ag: Pharma Nation Network AG – CME online
Authors: Folkers Gerd , Otto Marc
Published: June 2006

pnn ag is a spinoff company of the ETHZ and has evolved from the ETH World project of the ETHZ (http://www.ethworld.ethz.ch/) with a close relationship to the Institute of Pharmaceutical Sciences. pnn ag has developed an internet platform, called the pnn-platform, which comprises
e-learning modules for health care professionals. The company was founded in 1999. pnn ag provides accredited continuing medical education for the German-speaking area. It collaborates with professional health care organizations to offer attractive and efficient online CME by combining high
professional competence and advanced technology as well as didactics.
Thales Technologies AG: Research Services for the Chemical Industries. How to Find the Needle in the Haystack and How to Find it FAST…
Authors: Wehrli Daniel , Chen Peter
Published: June 2006

Thales Technologies AG was founded as an ETH spinoff in 1999 and is situated at the Technopark in Zürich. The company supports the chemical industry with catalyst research, discovery, and development. Its patented and unique methodology allows the high-throughput screening of pooled
libraries of highly sensitive organometallic catalysts.
Novel Solution- and Solid-Phase Syntheses of Heterocyclic Systems
Authors: Cabon Gaelle , Gaucher Berangere , Gegout Aline , Heulle Sophie , Masquelin Thierry
Published: June 2006

Heterocyclic compounds are an attractive source of screening library structures because they possess varied structural diversity and can exhibit potent biological activity. In this context, we present some of our new and versatile approaches to rapid and efficient syntheses of pharmacologically
relevant core structures. These include: combination of both solution- and solid-phase processes in the synthesis of pyrazolo[1,5-a]-[1,3,5]-triazin-4-ones and pyrazolo[1,5-a]-[1,3,5]-triazines; parallel, multi-generation synthesis of highly functionalized heterocyclic compounds
in solution; a multi-step synthesis of 2,5-diketopiperazine on solid support taking advantage of a bicyclic ?-lactam scaffold, and a combined solid- and solution-phase synthesis of a new class of 2,4-diaminothiazoles.
Versatile Monitoring Tools in Parallel Solid-Phase Synthesis
Authors: Felder Eduard R. , Martina Katia , Scarpella Simona , Tatò Marco
Published: June 2006

Parallel synthesis on solid-phase is routinely applied in our combinatorial chemistry efforts for lead finding and lead optimization in drug discovery. The synthetic products are released in solution, isolated individually, and purified, but most of the synthetic process is carried
out on solid-phase. This facilitates lab automation and enhances throughput. The vastly increased synthetic productivity poses the question of how to best characterize the quality of compound libraries in an efficient and accurate way. In order to provide maximal information with minimal sample
consumption, we have integrated a combination of analytical techniques in our workflow. The techniques, comprising IR, NMR, LC-MS, and HPLC online nitrogen detection (CLND), are illustrated on simple examples, but are usually applied to hundreds of molecules, and recurrently, within the timeframe
of a library production.
Library Design
Authors: Stoll Friederike
Published: June 2006

This review aims at giving a short introduction to the most important areas of library design. The description of compounds by descriptors and fingerprints, and similarity-based clustering techniques are illustrated in the context of untargeted library design. For lead finding and lead
optimization libraries it touches on ligand-based combinatorial design, structure-based design, docking and scoring techniques, and fragment-based de novo design. It is shown that computational and combinatorial chemistry can be successfully combined in the design process.
Chiral Phosphoric Acid Diesters as Ligands in Asymmetric Transition Metal Catalyzed Hydrogenation
Authors: Reetz Manfred T. , Sell Thorsten , Goddard Richard
Published: June 2006

A chiral phosphoric acid diester, specifically the BINOL-based derivative, has been used for the first time in Rh-, Ir-, and Pd-catalyzed hydrogenation of olefins and imines, giving ee-values of up to 85%.