bluuebunny/crossref_metadata_2025_split huggingface dataset:
High Throughput On-line Preconcentration Using “Spongy-monolith” Prepared by Pore Templates
Authors: Kubo Takuya , Watanabe Fuminori , Kaya Kunimitsu , Hosoya Ken 
Published: August 2008

Abstract
We developed novel spongy-monolith which had several dozen micron pore size and is suitable for high throughput analyses. The results of liquid chromatographic evaluations suggested that the spongy-monolith showed excellent performance as preconcentration column for on-line liquid chromatographic system with low pressure drop.
Analysis of Turbulence Profiles from Three Tall Towers: Departure from Similarity Theory in Near-Neutral and Stable Conditions
Authors: Bowen Brent M. 
Published: August 2008

Long-term wind and turbulence profiles were analyzed for all stability conditions at three tall, multi-level towers located at the Los Alamos National Laboratory (LANL), Rocky Flats Environmental Plant (RF), and the Boulder Atmospheric Observatory (BAO). The LANL and RF sites are located in complex terrain and the BAO is located over relatively simple terrain, but within 3 to 5 km of an abrupt 20 to 30 m increase in terrain. Results indicate that normalized turbulence parameter profiles at all three sites agree well with widely used empirical relationships during unstable conditions.
During near neutral conditions, σu parameter profiles are also well behaved at all three sites while σw increases with height for complex fetch (BAO downwind of bluff, LANL, and RF) while σw remains nearly constant up to 200 m AGL at BAO with simple fetch. The σw /u* values at 10-m AGL are close to one at all sites and they increase by an order of 50% in the lowest 60 to 200 m for complex fetch and remain approximately constant in the lowest 200 m with simple fetch.
During very stable conditions, typical values of σu and σ v range between 0.4 to 0.6 ms-1 and increase slightly with height while median σw values nearly double from about 0.1 to 0.2 ms-1 between the 10- and 100 to 200-m levels. A comparison of predicted with measured u* values at two of the sites shows generally good agreement over 6 stability categories. It is suggested that M-O similarity theory will usually greatly underestimate vertical diffusivity and dispersion during very stable conditions, especially at larger heights, based on idealized Kz profiles calculated from measured σw values. Finally, rules of thumb are formulated to describe departure from similarity theory during near-neutral and stable conditions.
DataLink Record Linkage Software Applied to the Cancer Registry of Murcia, Spain
Authors: Chirlaque M. D. , Navarro C. , Márquez Cid M. 
Published: August 2008

Summary

Objectives:
Record linkage between data sets is relatively simple when unique, universal, permanent, and common variables exist in each data set. This situation occurs infrequently; thus, there is a need to apply probabilistic methods to identify corresponding records. DataLink has been tested to determine if the use of clustering techniques will improve performance with a minimum decrease in accuracy.

Methods:
The study uses cancer registry data which includes hospital discharge and pathology reports from two hospitals in the Murcia Region for the years 2002-2003. These data are standardized prior to running DataLink. The original version of DataLink compares all of the records one by one, and in two later versions of the software clustering is applied which filters for one or more variables. Computing time and the proportion of detected matches have been investigated with each version.

Results:
The clustering versions achieve 96.1% and 96.2% accuracy, respectively. An improvement in the computational time of 97.3% and 98.6% is achieved for the two clustering versions compared with the original. The clustering versions lose 0.36% and 1.07% of real duplicates, respectively.

Conclusions:
DataLink implements deterministic and probabilistic record linkage to eliminate duplicates and to merge new information with existing cases. The standardization of variables to a common format has been adapted to the characteristics of Spanish language data. Clustering techniques minimize computational time and maximize accuracy in the detection of corresponding records.
Remembering when we last remembered our childhood experiences: Effects of age and context on retrospective metamemory judgments
Authors: Abenavoli Rachel , Henkel Linda A. 
Published: August 2008

AbstractPeople sometimes exhibit a ‘forgot‐it‐all‐along bias’ in which they claim that they have gone for months or years without thinking about certain childhood experiences despite recently recalling those memories. The present study examines memory for memories of childhood experiences, expanding on prior work by using manipulations that require greater reflection when thinking about remembered experiences and when making retrospective metamemory judgments. Age‐related differences in memory‐for‐memory accuracy were also examined. Young (18–20) and older adults (63–89) recalled various events while focusing on emotional or perceptual details for some, and several weeks later were asked to indicate the last time they had remembered various events. Results showed that young adults were more accurate than older adults overall, though both age groups still exhibited a forgot‐it‐all‐along bias that was reduced but not eliminated when a contextual reminder was provided. Copyright © 2008 John Wiley & Sons, Ltd.
Do the estrogen receptors 1 gene variants influence the temperament and character inventory scores in suicidal attempters and healthy subjects?
Authors: Giegling Ina , Chiesa Alberto , Calati Raffaella , Hartmann Annette M. , Möller Hans‐Jürgen , De Ronchi Diana , Rujescu Dan , Serretti Alessandro 
Published: August 2008

AbstractSeveral studies investigated possible associations between single nucleotide polymorphisms and the temperament and character inventory (TCI) scores. The possible association between TCI scores and the estrogen receptors 1 (ESR1) polymorphisms, which are expressed in cerebral regions that are involved in the development of temperament and character, has not been investigated yet. The aim of the present study is to investigate possible associations between specific ESR1 polymorphisms and TCI scores. Two hundred eighty‐nine healthy subjects and 111 suicide attempters were enrolled in the study. All subjects compiled TCI. Rs827421, rs1913474, rs1801132, rs722207, rs974276, and rs910416 in ESR1 were genotyped. Rs722207 was associated with Harm Avoidance (HA) in the healthy sample (P = 0.003). Further associations have been found for two HA subscales, HA2 and HA3, in the healthy sample. Additionally, the haplotype rs722207–rs974276 showed an association with HA (P = 0.0003) and HA2 (P = 0.0002) in the global sample and in healthy volunteers and HA3 showed an association in the global sample. Our study showed a moderate association between ESR1 variants and TCI scores. The main finding concerns the association between rs722207 and HA in the healthy sample. Further research is needed to replicate our findings and to investigate further ESR1 polymorphisms. © 2008 Wiley‐Liss, Inc.
Supercritical water gasification
Authors: Kruse Andrea 
Published: August 2008

AbstractThis article reviews the work relating to the supercritical water gasifi cation of biomass with a focus on hydrogen production. The high hydrogen yield predicted by thermodynamic calculations and the special properties of near‐ and supercritical water support the biomass degradation; these were the main reasons why the process of = supercritical water gasifi cation was investigated. The main advantage is that biomass, with a natural water content of 80 wt.% or more, can be converted without drying before. The energy required for heating up the relatively high water amount can be recovered by a compact heat exchanger, which is very important for the overall energy balance. The chemistry of biomass degradation is rather complex: from experiments with model compounds, the main reaction pathways and their dependencies on reaction conditions are identifi ed. This knowledge was applied in studies of biomass conversion. Biomass may include proteins and salts, which have a signifi cant infl uence on the gasifi cation: salts increase and proteins decrease the gas yield at comparable reactions conditions. In addition, the heating‐up rate and the reactor type used infl uence the results. For the scale‐up in view of a technical application, a bench‐scale plant is necessary. This plant exists for some years and demonstrates the process feasibility also in the scale of 100 kg/h. Still challenges for a technical application, like corrosion and solid handling, exist. © 2008 Society of Chemical Industry and John Wiley & Sons, Ltd
Re‐interpretation of NIPALS results solves PLSR inconsistency problem
Authors: Ergon R. 
Published: August 2008

AbstractThe well‐known nonlinear iterative partial least squares (NIPALS) algorithm is commonly used for computation of components in partial least squares regression (PLSR) with orthogonalized score vectors. Based on generalized inverse formalism, Pell et al.[1] have recently claimed that the NIPALS results are inconsistent with respect to model spaces for residual‐based outlier detection and prediction purposes. This theoretically important result is supported by the present paper, where it is also shown that a simple re‐interpretation of the results from the NIPALS algorithm solves the problem. This is valid for cases with both one and several response variables (PLS1 and PLS2). It is also shown, however, that the price to pay for this solution is that the latent variables in the model will no longer be completely independent of the residual noise. Since the original PLSR model with non‐orthogonal score vectors does not have the same inconsistency, a method for orthogonalization of this model is also included. Copyright © 2008 John Wiley & Sons, Ltd.
Heterolytic Cleavage of Peroxide by a Diferrous Compound Generates Metal‐Based Intermediates Identical to Those Observed with Reactions Utilizing Oxygen‐Atom‐Donor Molecules
Authors: Rowe Gerard T. , Rybak‐Akimova Elena V. , Caradonna John P. 
Published: August 2008

AbstractUnder cryogenic stopped‐flow conditions, addition of 2‐methyl‐1‐phenylprop‐2‐yl hydroperoxide (MPPH) to the diiron(II) compound, [Fe2(H2Hbamb)2(NMeIm)2] (1; NMeIm=N‐methylimidazole; H4HBamb: 2,3‐bis(2‐hydroxybenzamido)dimethylbutane) results in heterolytic peroxide OO bond cleavage, forming a high‐valent species, 2. The UV/Vis spectrum of 2 and its kinetic behavior suggest parallel reactivity to that seen in the reaction of 1 with oxygen‐atom‐donor (OAD) molecules, which has been reported previously. Like the interaction with OAD molecules, the reaction of 1 with MPPH proceeds through a three step process, assigned to oxygen‐atom transfer to the iron center to form a high‐valent intermediate (2), ligand rearrangement of the metal complex, and, finally, decay to a diferric μ‐oxo compound. Careful examination of the order of the reaction with MPPH reveals saturation behavior. This, coupled with the anomalous non‐Arrhenius behavior of the first step of the reaction, indicates that there is a preequilibrium peroxide binding step prior to OO bond cleavage. At higher temperatures, the addition of the base, proton sponge, results in a marked decrease in the rate of OO bond cleavage to form 2; this is assigned as a peroxide deprotonation effect, indicating that the presence of protons is an important factor in the heterolytic cleavage of peroxide. This phenomenon has been observed in other iron‐containing enzymes, the catalytic cycles of which include peroxide OO bond cleavage.
A Structure‐Consistent Mechanism for Dioxygen Formation in Photosystem II
Authors: Siegbahn Per E. M. 
Published: August 2008

AbstractIn recent DFT studies a new mechanism for OO bond formation at the oxygen evolving center (OEC) in photosystem II has been suggested. With the structure of the S4 state required for that mechanism, the structures of the lower S states are investigated herein by adding protons and electrons. A model was used including the full amino acids for the ones ligating the OEC, and in which the backbone positions were held fixed from the X‐ray structure. The only charged second‐shell ligand Arg357 was also included. An optimized structure for the S1 state was reached with a large similarity to one of those suggested by EXAFS. A full catalytic cycle was derived which can rationalize the structural relaxation in the S2 to S3 transition, and the fact that only an electron leaves in the transition before. Water is suggested to bind to the OEC in the S2 to S3, and S4 to S0 transitions. A new possibility for water exchange is suggested from the final energy diagram. The optimal OO bond formation occurs between an oxygen radical and an oxo ligand. The alternative mechanism, where the oxygen radical reacts with an external water, has a barrier about 20 kcal mol−1 higher.
Novel Hybrid Materials Consisting of Regioregular Poly(3‐octylthiophene)s Covalently Attached to Single‐Wall Carbon Nanotubes
Authors: Stefopoulos Andreas A. , Chochos Christos L. , Prato Maurizio , Pistolis George , Papagelis Kostas , Petraki Foteini , Kennou Stella , Kallitsis Joannis K. 
Published: August 2008

AbstractFacile routes for the synthesis of hybrid materials consisting of regioregular poly(3‐octylthiophene)s covalently attached to single‐wall carbon nanotubes are presented for the first time. These materials are easily processable using common organic solvents, and at the same time combine the properties of regioregular poly(3‐alkylthiophene)s with those of single‐wall carbon nanotubes. Moreover, studies of the properties of these materials have provided strong evidence for an electron transfer from the regioregular poly(3‐octylthiophene) to the single‐wall carbon nanotube.
Development of Palladium–Carbene Catalysts for Telomerization and Dimerization of 1,3‐Dienes: From Basic Research to Industrial Applications
Authors: Clement Nicolas D. , Routaboul Lucie , Grotevendt Anne , Jackstell Ralf , Beller Matthias 
Published: August 2008

AbstractThe following account summarises recent developments in the area of palladium‐catalysed telomerisation and dimerisation reactions of 1,3‐dienes. The most active types of catalyst, palladium–carbene complexes, were tested in pilot plant and proved to be industrially viable.
Localization of Kv2.2 protein in Xenopus laevis embryos and tadpoles
Authors: Gravagna Nicole G. , Knoeckel Christopher S. , Taylor Alison D. , Hultgren Barbara A. , Ribera Angeles B. 
Published: August 2008

AbstractVoltage‐gated potassium (Kv) channels sculpt neuronal excitability and play important developmental roles. Kv channels consist of pore‐forming α‐ and auxiliary subunits. For many Kv α‐subunits, existing mRNA probes and antibodies have allowed analysis of expression patterns, typically during adult stages. Here, we focus on the Kv2.2 α‐subunit, for which the mRNA shows broad expression in the embryo and adult. A lack of suitable antibodies, however, has hindered detailed analysis of Kv2.2 protein localization, especially during development. We developed an antibody that specifically recognizes Kv2.2 protein in Xenopus laevis, a vertebrate well suited for study of early developmental stages. The Kv2.2 antibody recognized heterologously expressed Kv2.2 but not the closely related Kv2.1 protein. Immunodetection of the protein showed its presence at St 32 in ventrolateral regions of the hindbrain and spinal cord. At later stages, several sensory tissues (retina, otic, and olfactory epithelia) also expressed Kv2.2 protein. As development progressed in the central nervous system, Kv2.2 protein distribution expanded in close association with the cytoskeletal marker α‐tubulin, consistent with growth of neuronal tracts. We analyzed the subcellular distribution of Kv2.2 protein within single cultured neurons. In addition to a surface membrane presence, Kv2.2 protein also resided intracellularly closely associated with α‐tubulin, as in vivo. Furthermore, in contrast to Kv2.1, Kv2.2 protein localized to long, axonal‐like processes, consistent with its in vivo location in tracts. Despite their primary sequence similarity, the contrasting localizations of Kv2.1 and Kv2.2 support different roles for the two during development and neuronal signaling. J. Comp. Neurol. 510:508–524, 2008. © 2008 Wiley‐Liss, Inc.
Gauss‐Green theorem for weakly differentiable vector fields, sets of finite perimeter, and balance laws
Authors: Chen Gui‐Qiang , Ziemer William P. , Torres Monica 
Published: August 2008

AbstractWe analyze a class of weakly differentiable vector fieldsF: ℝn→ ℝnwith the property thatF∈L∞and divFis a (signed) Radon measure. These fields are calledbounded divergence‐measure fields. The primary focus of our investigation is to introduce a suitable notion of the normal trace of any divergence‐measure fieldFover the boundary of an arbitrary set of finite perimeter that ensures the validity of the Gauss‐Green theorem. To achieve this, we first establish a fundamental approximation theorem which states that, given a (signed) Radon measure μ that is absolutely continuous with respect to ℋ︁N− 1on ℝN, any set of finite perimeter can be approximated by a family of sets with smooth boundary essentially from the measure‐theoretic interior of the set with respect to the measure ||μ||, the total variation measure. We employ this approximation theorem to derive the normal trace ofFon the boundary of any set of finite perimeterEas the limit of the normal traces ofFon the boundaries of the approximate sets with smooth boundary so that the Gauss‐Green theorem forFholds onE. With these results, we analyze the Cauchy flux that is bounded by a nonnegative Radon measure over any oriented surface (i.e., an (N− 1)‐dimensional surface that is a part of the boundary of a set of finite perimeter) and thereby develop a general mathematical formulation of the physical principle of the balance law through the Cauchy flux. Finally, we apply this framework to the derivation of systems of balance laws with measure‐valued source terms from the formulation of the balance law. This framework also allows the recovery of Cauchy entropy flux through the Lax entropy inequality for entropy solutions of hyperbolic conservation laws. © 2008 Wiley Periodicals, Inc.
On the parallel complexity of hierarchical clustering and CC‐complete problems
Authors: Greenlaw Raymond , Kantabutra Sanpawat 
Published: August 2008

AbstractComplex data sets are often unmanageable unless they can be subdivided and simplified in an intelligent manner. Clustering is a technique that is used in data mining and scientific analysis for partitioning a data set into groups of similar or nearby items. Hierarchical clustering is an important and well‐studied clustering method involving both top‐down and bottom‐up subdivisions of data. In this article we address the parallel complexity of hierarchical clustering. We describe known sequential algorithms for top‐down and bottom‐up hierarchical clustering. The top‐down algorithm can be parallelized, and when there arenpoints to be clustered, we provide an O(logn)‐time, n2‐processor Crew Pram algorithm that computes the same output as its corresponding sequential algorithm. We define a natural decision problem based on bottom‐up hierarchical clustering, and add this HIERARCHICALCLUSTERINGPROBLEM(HCP) to the slowly growing list of CC‐complete problems, thereby showing that HCP is one of the computationally most difficult problems in the COMPARATORCIRCUITVALUEPROBLEMclass. This class contains a variety of interesting problems, and now for the first time a problem from data mining as well. By proving that HCP is CC‐complete, we have demonstrated that HCP is very unlikely to have an NC algorithm. This result is in sharp contrast to the NC algorithm which we give for the top‐down sequential approach, and the result surprisingly shows that the parallel complexities of the top‐down and bottom‐up approaches are different, unless CC equals NC. In addition, we provide a compendium of all known CC‐complete problems. © 2008 Wiley Periodicals, Inc. Complexity, 2008
Fachkommission Bautechnik der Bauministerkonferenz: Auslegungsfragen zur Energieeinsparverordnung – Teil 9
Authors: Achelis Justus 
Published: August 2008

AbstractDer Bund hat auf Grund des § 1 Abs. 2, des § 2 Abs. 2 und 3, des § 3 Abs. 2, des § 4, jeweils in Verbindung mit § 5, sowie des § 5a Satz 1 und 2 des Energieeinsparungsgesetzes die “Verordnung über energieeinsparenden Wärmeschutz und energieeinsparende Anlagentechnik bei Gebäuden (Energieeinsparverordnung – EnEV)” erlassen (BGBl. I 2007, S. 1519 ff).Die Energieeinsparverordnung ist am 01.10.2007 in Kraft getreten.Um im Vollzug eine möglichst einheitliche Anwendung der Energieeinsparverordnung zu ermöglichen, hat die Fachkommission “Bautechnik” der Bauministerkonferenz beschlossen, eine Arbeitsgruppe einzurichten, die die in den Ländern eingehenden Anfragen mit allgemeinem Interesse beantworten soll.Die Entwürfe der Arbeitsgruppe werden dann in den Sitzungen der Fachkommission beraten.
Spontaneous Resolution of a Triple‐Stranded Dinickel(II) Helicate Generated via Intermolecular Transamination Reaction ofS‐Methylisothiocarbohydrazide in the Presence of Ni2+
Authors: Dobrov Anatoly , Arion Vladimir B. , Shova Sergiu , Roller Alexander , Rentschler Eva , Keppler Bernhard K. 
Published: August 2008

AbstractThe reaction ofS‐methylisothiocarbohydrazide hydroiodide [H2NNHC(SCH3)NNH2·HI] with NiCl2·6H2O in water at room temperature yielded a triple‐stranded dinickel(II) helicate [NiII(L1–L1)3NiII]I4·4H2O (14+·4I–·4H2O), where L1–L1= H2NNHC(SCH3)NNC(SCH3)NHNH2, in 35 % yield, which spontaneously separates in enantiomers upon crystallization. The enantiomers do not racemize at room temperature, even not after 15 h of heating at 90 °C. X‐ray diffraction structures of both enantiomers, chiroptical and magnetic properties of14+·4I–·4H2O are reported. Demetallation of the complex by treatment with S2–resulted in 3,6‐bis(methylthio)‐1,4‐dihydro‐1,2,4,5‐tetrazine (2). Compound2undergoes 2‐e–oxidation in air to give the known 3,6‐bis(methylthio)‐1,2,4,5‐tetrazine (3). (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
Causal discrete‐time system approximation of non‐bandlimited continuous‐time systems by means of discrete prolate spheroidal wave functions
Authors: Tzschoppe Roman , Huber Johannes B. 
Published: August 2008

AbstractIn general, linear time‐invariant (LTI) continuous‐time (CT) systems can be implemented by means of LTI discrete‐time (DT) systems, at least for a certain frequency band. If a causal CT system is not bandlimited, the equivalent DT system may has be to non‐causal for perfectly implementing the CT system within a certain frequency band. This paper studies the question to which degree a causal DT system can approximate the CT system. By reducing the approximation frequency band, the approximation accuracy can be increased‐‐‐at the expense of a higher energy of the impulse response of the DT system. It turns out, that there exists a strict trade‐off between approximation accuracy, measured in the squared integral error, and energy of the impulse response of the DT system. The theoretically optimal trade‐off can be achieved by approximations based on a weighted linear combination of the discrete prolate spheroidal wave functions (DPSWFs). The results are not limited to the case of approximating a CT system by means of a causal DT system, but they generally hold for the approximation of an arbitrary spectrum by means of a spectrum of an indexlimited time sequence. Copyright © 2008 John Wiley & Sons, Ltd.