bluuebunny/crossref_metadata_2025_split huggingface dataset:
End‐of‐pipe or cleaner production? An empirical comparison of environmental innovation decisions across OECD countries
Authors: Frondel Manuel , Horbach Jens , Rennings Klaus 
Published: July 2006

AbstractWhile both fundamental types of abatement measure mitigate the adverse environmental impacts of production, cleaner production technologies are frequently more advantageous than end‐of‐pipe technologies for environmental and economic reasons. This paper analyzes a variety of factors that might enhance firms' propensity to implement cleaner production technologies instead of end‐of‐pipe technologies. On the basis of a unique facility‐level data set derived from a recent OECD survey, we find a clear dominance of cleaner production in seven OECD countries: 76.8% of the facilities report that they invest predominantly in cleaner production technologies, above all in new production processes, but not so much in new products. Based on a discrete choice model, our estimation results indicate that regulatory measures and the stringency of environmental policies are more important for end‐of‐pipe technologies, while cost savings, general management systems and specific environmental management tools tend to favor clean production. We conclude that improvements towards cleaner production may be reached by the continuous development and wider diffusion of these management tools. Improvements may also be stimulated by widening the cost gap between the two types of technology, for instance by additionally charging for waste and energy use. Copyright © 2006 John Wiley & Sons, Ltd and ERP Environment.
Empirical analysis of the integration of environmental risks into the credit risk management process of European banks
Authors: Weber Olaf , Fenchel Marcus , Scholz Roland W. 
Published: July 2006

AbstractAbout 15 years ago, banks started to integrate environmental risks into their credit risk management procedures. In this article, a survey of the European banking sector focusing on the analysis of the integration of environmental risks into all phases of the credit risk management, rating, costing, pricing, monitoring and work‐out, is presented. The integration of environmental risks into the whole credit risk management process is important because only then is an adequate risk management guaranteed. The results show that banks integrate environmental risks especially into the rating phase, but not in all phases of the credit management process, though this is recommendable because these risks influence all phases of the credit management process. Furthermore, significant differences in integrating environmental risks between banks that are signatories of the UNEP statement by banks on the environment and sustainable development and banks that had not signed this agreement so far could be found. Copyright © 2006 John Wiley & Sons, Ltd and ERP Environment.
Characterization of Structure and Transport in Porous Media by Pulsed Field Gradient (PFG) NMR Technique. Part I: Master Curve and Characteristic Inner Length
Authors: Bardakci M. , Tillich J. E. , Holz M. 
Published: July 2006

AbstractSystematic experimental studies focusing on the practical application of observation time dependent pulsed‐field‐gradient (PFG) NMR were performed. The objective was to provide engineering scientists with a reliable experimental tool for characterizing the structure and transport in fluid‐filled porous media. Observation time dependent self‐diffusion in glass bead packs as model systems was investigated, where the diffusing species (molecules of the solvent or dissolved particles) served as probes for the confining geometry in the porous medium. First, the basic question whether the obtainable structure information is independent of the actual mobility of the diffusing probe particles was examined experimentally. It could be demonstrated that plotting the normalized time‐dependent diffusion coefficient D(t)/D0 versus the actual migration length lD(t) during a given observation time t indeed yields a characteristic “master curve” that is independent of the mobility of the diffusing species, thus reflecting, as desired for a reliable method, solely the effects of the confining geometry of the porous system of interest. It was further shown that from the master curve a new quantity, i.e., a “characteristic inner length” or “correlation length” ξD can be derived that corresponds to a path length in the porous medium, after which particles in the pore fluid experience an averaged restricting geometry and diffuse with an effective diffusion coefficient Deff. It turned out that ξD is surprisingly short, that is, in the order of the bead radius. Moreover, it was demonstrated that normalization of this migration length with the bead radius yields a common master curve for all monodisperse bead packs used and thus, it is obviously possible to derive and record master curves for different kinds of packs, beds or other porous media as references that can be used to characterize or certify the kind of the porous matrix of interest.
Newtonian and Non‐Newtonian Low Re Number Flow Through Bead Packings
Authors: Mertens D. , Heinen C. , Hardy E. H. , Buggisch H. W. 
Published: July 2006

AbstractThe results of measurements of velocity distributions of Newtonian and non‐Newtonian fluids flowing through porous media are described in this contribution. The porous matrix was modeled by glass beads of different diameters forming a random bead packing confined by a circular tube. These packings were passed through by aqueous solutions of glucose and xanthane gum. Nuclear magnetic resonance (NMR) methods were applied to investigate the flow field in the packing. Spatially resolved and integral displacement distribution measurements were reported.
Kinetic Analysis of Semisynthetic Peroxidase Enzymes Containing a Covalent DNA–Heme Adduct as the Cofactor
Authors: Fruk Ljiljana , Müller Joachim , Niemeyer Christof M. 
Published: July 2006

AbstractThe reconstitution of apo enzymes with DNA oligonucleotide‐modified heme (protoporphyrin IX) cofactors has been employed as a tool to produce artificial enzymes that can be specifically immobilized at the solid surfaces. To this end, covalent heme–DNA adducts were synthesized and subsequently used in the reconstitution of apo myoglobin (aMb) and apo horseradish peroxidase (aHRP). The reconstitution produced catalytically active enzymes that contained one or two DNA oligomers coupled to the enzyme in the close proximity to the active site. Kinetic studies of these DNA–enzyme conjugates, carried out with two substrates, ABTS and Amplex Red, showed a remarkable increase in peroxidase activity of the DNA–Mb enzymes while a decrease in enzymatic activity was observed for the DNA–HRP enzymes. All DNA–enzyme conjugates were capable of specific binding to a solid support containing complementary DNA oligomers as capture probes. Kinetic analysis of the enzymes immobilized by the DNA‐directed immobilization method revealed that the enzymes remained active after hybridization to the capture oligomers. The programmable binding properties enabled by DNA hybridization make such semisynthetic enzyme conjugates useful for a broad range of applications, particularly in biocatalysis, electrochemical sensing, and as building blocks for biomaterials.
Investigation of the Pathways of Excess Electron Transfer in DNA with Flavin‐Donor and Oxetane‐Acceptor Modified DNA Hairpins
Authors: Breeger Sascha , von Meltzer Martin , Hennecke Ulrich , Carell Thomas 
Published: July 2006

AbstractOxetane is a potential intermediate that is enzymatically formed during the repair of (6–4) DNA lesions by special repair enzymes (6–4 DNA photolyases). These enzymes use a reduced and deprotonated flavin to cleave the oxetane by single electron donation. Herein we report synthesis of DNA hairpin model compounds containing a flavin as the hairpin head and two different oxetanes in the stem structure of the hairpin. The data show that the electron moves through the duplex even over distances of 17 Å. Attempts to trap the moving electron with N2O showed no reduction of the cleavage efficiency showing that the electron moves through the duplex and not through solution. The electron transfer is sequence dependent. The efficiency is reduced by a factor of 2 in GC rich DNA hairpins.
Ordered Mesoporous Materials in the Context of Drug Delivery Systems and Bone Tissue Engineering
Authors: Vallet‐Regí María 
Published: July 2006

AbstractChemistry, materials science and medicine are research areas that converge in the field of drug delivery systems and tissue engineering. This paper tries to introduce an example of such an interaction, aimed at solving health issues within the world of biomaterials. Ordered mesoporous materials can be loaded with different organic molecules that would be released afterwards, in a controlled fashion, inside a living body. These materials can also react with the body fluids giving rise to carbonated nanoapatite particles as the products of such a chemical interaction; these particles, equivalent to biological apatites, enable the regeneration of bone tissue.
Combining Enabling Techniques in Organic Synthesis: Continuous Flow Processes with Heterogenized Catalysts
Authors: Kirschning Andreas , Solodenko Wladimir , Mennecke Klaas 
Published: July 2006

AbstractThe concepts article describes enabling techniques (solid‐phase assisted synthesis, new reactor design, microwave irradiation and new solvents) in organic chemistry and emphasizes the combination of several of them for creating new synthetic technology platforms. Particular focus is put on the combination of immobilized catalysts as well as biocatalysts with continuous flow processes. In this context, the PASSflow continuous flow technique fulfils both chemical as well as chemical engineering requirements. It combines reactor design with optimized, monolithic solid phases as well as reversible immobilization techniques for performing small as well as large scale synthesis with heterogenized catalysts under continuous flow conditions.
Improving Potency, Selectivity, and Water Solubility of Adenosine A1Receptor Antagonists: Xanthines Modified at Position 3 and Related Pyrimido[1,2,3‐cd]purinediones
Authors: Weyler Stefanie , Fülle Friederike , Diekmann Martina , Schumacher Britta , Hinz Sonja , Klotz Karl‐Norbert , Müller Christa E. 
Published: July 2006

AbstractThe structure–activity relationships of xanthine derivatives related to the adenosine A1receptor antagonists 8‐cyclopentyl‐1,3‐dipropylxanthine (DPCPX) and 1,3‐dipropyl‐8‐(3‐noradamantyl)xanthine (KW3902) were investigated by focusing on variations of the 3‐substituent. Aromatic residues were well tolerated by the A1receptor in that position. A moderate effect of stereochemistry was found for the 3‐(1‐phenylethyl)‐substituted analogue of DPCPX (S>R) at A1and A3receptors, whereas the opposite stereoselectivity was observed at the A2receptor subtypes. A 3‐hydroxypropyl substituent was found to be optimal for high A1affinity and selectivity. The most potent compound of the present series was 1‐butyl‐3‐(3‐hydroxypropyl)‐8‐(3‐noradamantyl)xanthine (10 c), which exhibits aKivalue of 0.124 nMat rat, and 0.7 nMat human adenosine A1receptors, combined with high selectivity (≫200‐fold) versus the other receptor subtypes. The similarly potent 8‐cyclopentyl‐3‐(3‐hydroxypropyl)‐1‐propylxanthine was converted into a water‐soluble phosphate prodrug, which may become a useful pharmacological tool for in vivo studies. 8‐Alkyl‐2‐(3‐noradamantyl)pyrimido[1,2,3‐cd]purine‐8,10‐diones, which can be envisaged as xanthine analogues with a fixed 3‐propyl substituent, were identified as a new class of potent, selective adenosine A1receptor antagonists. For example, compound14(8‐butyl‐substituted) exhibits aKivalue of 13.8 nMat human A1receptors. A selection of the most potent compounds was investigated in [35S]GTPγS binding assays and showed inverse agonistic activity. Their efficacy was generally lower than that of the full inverse agonist DPCPX, and depended on subtle structural changes. Some of the new compounds belong to the most potent and selective A1antagonists described to date.
Integrated Approach Using Protein and Ligand Information to Analyze Selectivity‐ and Affinity‐Determining Features of Carbonic Anhydrase Isozymes
Authors: Hillebrecht Alexander , Supuran Claudiu T. , Klebe Gerhard 
Published: July 2006

AbstractThe application and comparison of selected protein‐ and ligand‐based approaches to elucidate factors important for affinity and selectivity towards the carbonic anhydrase isozymes I, II, and IV are described. Carbonic anhydrases are abundant in pro‐ and eukaryotes. These enzymes catalyze the reversible hydration of carbon dioxide to bicarbonate and H+ ions and are thus involved in many important physiological and pathophysiological processes. Due to the fact that the human carbonic anhydrase family consists of 16 closely related isozymes, the design of selective inhibitors is a special challenge for medicinal chemists. In order to extract selectivity‐determining features, we applied purely ligand‐based 3D QSAR techniques as well as qualitative comparative molecular field analyses of the targets’ binding sites using consensus principal component analysis (CPCA). The dataset for the QSAR studies was deliberately compiled from 1748 inhibitors and comprises about 140 ligands, mainly of the sulfonamide type. Additionally, we employed the novel AFMoC approach, which intrinsically combines protein and ligand information. The simultaneous use of these different techniques gives deeper insight into selectivity and affinity‐determining features and provides quantitative models for prediction.
Role of angiogenesis in chronic lymphocytic leukemia
Authors: Letilovic Tomislav , Vrhovac Radovan , Verstovsek Srdan , Jaksic Branimir , Ferrajoli Alessandra 
Published: July 2006

AbstractAngiogenesis is a physiologic process of new blood vessels formation mediated by various cytokines called angiogenic and angiostatic factors. Although its potential pathophysiologic role in solid tumors has been extensively studied for more than 3 decades, enhancement of angiogenesis in chronic lymphocytic leukemia (CLL) and other malignant hematological disorders has been recognized more recently. An increased level of angiogenesis has been documented by various experimental methods both in bone marrow and lymph nodes of patients with CLL. Although the role of angiogenesis in the pathophysiology of this disease remains to be fully elucidated, experimental data suggest that several angiogenic factors play a role in the disease progression. Biologic markers of angiogenesis were also shown to be of prognostic relevance in CLL. The current findings provide the rationale for investigating antiangiogenic agents in CLL. In the current review angiogenesis in CLL is discussed and its potential diagnostic and therapeutic applications. Cancer 2006. © 2006 American Cancer Society.
Phase II study of single‐agent bortezomib for the treatment of patients with fludarabine‐refractory B‐cell chronic lymphocytic leukemia
Authors: Faderl Stefan , Rai Kanti , Gribben John , Byrd John C. , Flinn Ian W. , O'Brien Susan , Sheng Shihong , Esseltine Dixie‐Lee , Keating Michael J. 
Published: July 2006

AbstractTherapeutic options are limited and the prognosis is poor for patients with fludarabine‐refractory B‐cell chronic lymphocytic leukemia (CLL). Bortezomib induces apoptosis in vitro in CLL cells, both alone and in combination, including in cells resistant to fludarabine or other agents. The aim of the current randomized, open‐label, Phase II study was to investigate the clinical activity of bortezomib in patients with fludarabine‐refractory B‐cell CLL. Twenty‐two patients with histologically confirmed B‐cell CLL were treated with bortezomib at doses of 1.0 mg/m2, 1.3 mg/m2, or 1.5 mg/m2 on Days 1, 4, 8, and 11 of a 21‐day treatment cycle for a maximum of 9 cycles. None of 19 patients evaluable for response achieved complete remission or partial response; however, signs of biologic activity based on disease site responses (e.g., reduction in lymphocytosis, splenomegaly, and lymphadenopathy) were observed. In the 1.5 mg/m2 dose group, a higher proportion of patients had stable disease, and a lower proportion had progressive disease compared with the 2 lower‐dose groups. Eleven patients, all in the 2 higher dose groups, experienced Grade 3/4 adverse events (AEs) (according to National Cancer Institute Common Toxicity Criteria [version 2.0]); 2 patients experienced Grade 4 neutropenia. Grade 3 hematologic AEs included anemia, neutropenia, thrombocytopenia, and hemolytic anemia; Grade 3 nervous system AEs included aphasia; peripheral neuropathy, not otherwise specified; and peripheral sensory neuropathy. Although no objective responses were achieved in patients with fludarabine‐refractory B‐cell CLL, single‐agent bortezomib demonstrated biologic activity. In view of the evidence for its activity, further exploration of bortezomib in combination with other agents is warranted. Cancer 2006. © 2006 American Cancer Society.
New Experimental and Theoretical Results for Argon Broadening and Shift of HCO+ Rotational Lines
Authors: Buffa Giovanni , Dore Luca , Tinti Francesca , Meuwly Markus 
Published: July 2006

AbstractAn experimental and theoretical study of the pressure broadening and the pressure shift of three HCO+ rotational lines (j=4←3, 5←4 and 6←5) perturbed by collisions with Ar is presented. The measurements are carried out at 77 K and are compared to close‐coupling calculations performed on an accurate potential energy surface for the Ar–HCO+ interaction extending from small to very large separations between the ion and the perturber. For the pressure broadening, agreement between experiment and theory is satisfactory for both close‐coupling and semiclassical calculations. For the pressure shift, however, close‐coupling calculations are superior. The results agree with experiment in sign and order of magnitude, while semiclassical calculations are inaccurate for the shift of the presently studied lines because they neglect the contribution of strong collisions.
DNA Tile Based Self‐Assembly: Building Complex Nanoarchitectures
Authors: Lin Chenxiang , Liu Yan , Rinker Sherri , Yan Hao 
Published: July 2006

AbstractDNA tile based self‐assembly provides an attractive route to create nanoarchitectures of programmable patterns. It also offers excellent scaffolds for directed self‐assembly of nanometer‐scale materials, ranging from nanoparticles to proteins, with potential applications in constructing nanoelectronic/nanophotonic devices and protein/ligand nanoarrays. This Review first summarizes the currently available DNA tile toolboxes and further emphasizes recent developments toward self‐assembling DNA nanostructures with increasing complexity. Exciting progress using DNA tiles for directed self‐assembly of other nanometer scale components is also discussed.
The Recognition of Growth Conditions and Metabolic Type of Plants by a Potentiometric Electronic Tongue
Authors: Ciosek Patrycja , Pokorska Berenika , Romanowska Elżbieta , Wróblewski Wojciech 
Published: July 2006

AbstractThe application of a potentiometric electronic tongue for the recognition and classification of plant samples is presented. Homogenates from the leaves of various plants subtypes (maize and guinea grass) were measured with the use of sensor array based on ion‐selective and partially selective electrodes. It was found that this device is capable of recognizing with high correctness, the type of plant metabolism (distinguishing between two types of cereals) and the factors affecting nutritional values of plants such as cultivation time and light intensity during growth. The obtained results led to the conclusion that the presented system can be used for the monitoring of crops and estimation of the quality of plants.
Linear models with nearly frequency independent complex stiffness leading to causal behaviour in time domain
Authors: Muravskii G. B. 
Published: July 2006

AbstractIn the paper, several causal linear models leading to nearly frequency independent complex stiffness are studied in time and frequency domains. Along with Biot model other three hereditary models are introduced into analysis. They all ensure practical constancy for damping properties but have limitations concerned with an increase in the real part of complex stiffness of corresponding material elements, as frequency grows. A new suggested method deals with given mechanical system as a whole: the imaginary part of the system compliance is constructed assuming that all elements have constant stiffness (with a modification for imaginary parts near zero frequency) and further the imaginary part of the system is used directly for studying transient vibrations supposing causality of the given mechanical system. The corresponding real part (not needed in the transient response analysis) is determined by Hilbert transformation. Examples relating to systems with one, two and infinite (shear beam) degrees of freedom are carried out for five compared models, allowing to reveal advantages and shortcomings of the models. Copyright © 2006 John Wiley & Sons, Ltd.
Improved protonation, collision‐induced decomposition efficiency and structural assessment for ‘red tide’ brevetoxins employing nanoelectrospray mass spectrometry
Authors: Wang Weiqun , Cole Richard B. 
Published: July 2006

AbstractBrevetoxins are a group of natural neurotoxins found in blooms of red tide algae. Previous electrospray mass spectrometry (ES‐MS) studies show that all brevetoxins have high affinities for sodium ions, and they form abundant sodium adduct ions, [M + Na]+, in ES‐MS, even when trace contamination is the only source of sodium ions. Attempts to obtain informative product ions from the collision‐induced decomposition (CID) of [M + Na]+ brevetoxin precursor ions resulted only in uninformative sodium ion signals, even under elevated collision energies. In this study, a nano‐ES‐MS approach was developed wherein ammonium fluoride was used to form cationic [M + NH4]+ adducts of brevetoxin‐2 and brevetoxin‐3; a significant increase in the abundance of protonated brevetoxin molecules [M + H]+ also resulted, whereas the abundance of sodium adducts of brevetoxins [M + Na]+ was observed to decrease. Under CID, both [M + NH4]+ and [M + H]+ gave similar, abundant product ions and thus underwent the same types of fragmentation. This indicated that ammonium ions initially attached to brevetoxins forming [M + NH4]+ easily lose neutral ammonia in a first step in the gas phase, leaving protonated brevetoxin [M + H]+ to readily undergo further fragmentation under CID. Copyright © 2006 John Wiley & Sons, Ltd.
Evaluation of the protonation thermochemistry obtained by the extended kinetic method
Authors: Bouchoux Guy 
Published: July 2006

AbstractAn evaluation of the results obtained by the extended kinetic method for a series of representative bases is presented here. Analysis of the original experimental data is conducted using the orthogonal distance regression (ODR) statistical treatment. A comparison with the proton affinities and protonation entropies obtained from variable temperature equilibrium constant measurements demonstrate deviations, which may be ascribed to random and systematic errors. Considerable random errors are associated with the extended kinetic method if the number of reference bases and the range of effective temperatures are too low. It is also confirmed that large systematic errors on proton affinities and protonation entropies are obtained when large protonation entropy is associated with the considered system. It is, however, encouraging to note that the gas phase basicities obtained by the extended kinetic method are generally comparable to that obtained by other methods within a few kJ/mol. Copyright © 2006 John Wiley & Sons, Ltd.