bluuebunny/crossref_metadata_2025_split huggingface dataset:
Roles of Molecular Wires between Fullerenes and Electron Donors in Photoinduced Electron Transfer
Authors: Ito Osamu , Yamanaka Ken-ichi 
Published: March 2009

Abstract
In the photoinduced intramolecular electron transfer events of donor–bridge–acceptor molecular systems, the bridges play important roles. In the first part of this account, we review charge separation and charge recombination of porphyrin–bridge–fullerene systems, in which the porphyrin acts as a photosensitizing electron donor, whereas the ground state of the C60 moiety acts as an electron acceptor. In such systems, the charge separation usually takes place through the LUMO of the bridges via a super-exchange mechanism and/or a hopping mechanism, depending on their relative LUMO energy levels. On the other hand, the charge recombination of the radical ion pairs usually takes place through the HOMO of the bridges. In the second part, research of charge separation via the excited state of fullerene through the HOMO of the bridges is reviewed. So far, very small damping factors have been reported for π-conjugated bridges such as oligophenyleneacetylenes, oligothiophenes, and oligothiophenevinylenes. On summarizing these results, it is revealed that switching from the super-exchange mechanism in short bridges to hopping mechanism in longer bridges is important to achieve long distance electron transfer through the bridges.
ONIOM Study of the Mechanism of the Enzymatic Hydrolysis of Biodegradable Plastics
Authors: Sakae Yoshitake , Matsubara Toshiaki , Aida Misako , Kondo Hidemasa , Masaki Kazuo , Iefuji Haruyuki 
Published: March 2009

Abstract
A cutinase-like enzyme (CLE), which is purified experimentally from the yeast Cryptococcus sp. strain S-2, has been recently found to degrade biodegradable plastics very efficiently. In this study, we theoretically examine the mechanism of hydrolysis of biodegradable plastics by the CLE by means of the ONIOM method. We optimize all the intermediates and the transition states involved in the considered enzymatic reaction and determine the energy surface of the entire catalytic cycle. The calculations show that the amino acid residues inside the pocket of the active site, Thr17 and Gln86, which stabilize the tetrahedral intermediates, and Gly115 in addition to Ser85, His180, and Asp165, which compose the catalytic triad, significantly contribute to the catalytic reaction. This is similar to the case of serine protease reported to date. Moreover, we have newly found that the energy barrier of the catalytic cycle is significantly lowered by the electronic effect of the OH group in the side-chain of Thr17 and bound water. The calculated potential energy surface of the reaction shows that the cleavage of the ester bond is a rate-determining step.
Structural Isomers of {MnII(L)2[AgI(CN)2]2} (L = 3-Methylpyridine or 4-Methylpyridine), Bilayer Structure with Binuclear Argentophilic Interaction and Interpenetrated Structure with 1D Chain Argentophilic Interaction; Synthesis, Crystal Structure, and Magnetic Properties
Authors: Kosone Takashi , Suzuki Yusuke , Kanadani Chikahide , Saito Toshiaki , Kitazawa Takafumi 
Published: March 2009

Abstract
New novel 2D network bimetallic MnIIAgI coordination compounds {MnII(L)2[AgI(CN)2]2}n (L = 3-methylpyridine (1) or 4-methylpyridine (2)) were synthesized and characterized by using single-crystal X-ray analysis and magnetic measurements. MnII ion in both complexes has MnN6 coordination with octahedral geometries, which are linked by a [AgI(CN)2]− unit at the equatorial plane to form a polymeric 2D sheet architecture. The two pyridine rings coordinate at the axial positions. However, coordination polymers for 1 and 2 are structural isomers. The structure of 1 comprises a parallel 2D array and the layers interact by pairs defining bilayers with strong binuclear argentophilic interaction, while 2 comprises a double interpenetration structure with 1D-chain weak argentophilic interaction. Furthermore, intermolecular C···C contacts in these complexes are significantly smaller than the sum of the van der Waals radius. Variable-temperature (2–300 K) magnetic susceptibility measurements of both the compounds have been performed to understand the possibility of spin transition in 1 and 2. However, the susceptibility data of 1 and 2 indicate the existence of high-spin (HS) state manganese(II) throughout the temperature range.
Honeycomb Sheet Structures Achieving High Electrical Conductivities in Alkyl-Substituted Thiazolium Bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III) Complex Salts
Authors: Tomiyama Etsuko , Tomono Kazuaki , Hashizume Daisuke , Wada Tatsuo , Miyamura Kazuo 
Published: March 2009

Abstract
A series of [Ni(dmit)2] (1) (dmit = 2-thioxo-1,3-dithiole-4,5-dithiolato) complex salts with 3,4-dimethylthiazolium (2), 2,3,4-trimethylthiazolium (3), and 3,4,5-trimethylthiazolium (4) cations (I, II, and III, respectively) were synthesized and characterized by single-crystal X-ray analysis and conductivity. The molecular structures of 1 were the same in all three complex salts. In the structure of I, the anions were arranged in hexagonal structures. Neighboring hexagons formed honeycomb sheet structures as the result of S···S interactions in the (001) plane. The sheets of the honeycomb structures were arranged along the c axis with translational symmetries that form columnar honeycomb channels along the direction. In the structures of II and III, honeycomb sheet structures were formed as in I. But in contrast to I, the relative position of the stacked sheets in II and III was slightly dislocated, forming zig-zag channels instead. The IR spectra of I, II, and III show that the C=C stretching band is slightly red-shifted to 1337–1339 from 1350 cm−1 for [Ni(dmit)2]−, caused by the partial oxidation of the anion. The measured values of the electrical conductivities were 0.20, 0.094, and 0.16 S cm−1 for I, II, and III, respectively. These high conductivities may be ascribed to the partially oxidation of the anion. The S···S interactions regulate the honeycomb sheet structure of the crystal and should work as conduction pathways effectively.
Structures and Magnetic Properties of Dinuclear Copper(II) Complexes Containing a Bulky Diamine Ligand, 1,2-Dipiperidinoethane
Authors: Arakawa-Itoh Machiko , Tokuman Kana , Mori Yukie , Kajiwara Takashi , Yamashita Masahiro , Fukuda Yutaka 
Published: March 2009

Abstract
A reaction of copper(II) perchlorate with a sterically hindered diamine, 1,2-dipiperidinoethane (dipe), yields two dinuclear complexes: di-μ-hydroxo dinuclear complex [{Cu(ClO4)(dipe)(μ-OH)}2] (1) and di-μ-alkoxo dinuclear complex [{Cu(ClO4)(dipe-O)}2] (2) (dipe-O− is 1-(2-piperidinoethyl)piperidin-3-olate which was newly obtained in this work). The structures of complexes 1 and 2 were confirmed by X-ray crystallography. Complex 2 is meso form containing (R)- and (S)-dipe-O−. Dipe-O− acts as a tridentate ligand with an N,N,O-donor set and bridges two copper(II) ions through the oxygen atom. The oxygen atom is incorporated into dipe from atmospheric molecular oxygen during the reaction of dipe with copper ion. The temperature dependences of χmT values were different between 1 and 2 depending on the bridging structures. Complex 1 shows ferromagnetic interaction and the value of 2J = 117 cm−1 is in agreement with that predicted from the ∠Cu–O–Cu bridging angle of 96.9°. Complex 2, the bridging angle of which is 100.59°, shows a strong antiferromagnetic interaction (−2J &gt; 400 cm−1). The singlet–triplet energy gap for complex 2 was estimated from DFT calculation.
Photoresponse of GaN:ZnO Electrode on FTO under Visible Light Irradiation
Authors: Hashiguchi Hiroshi , Maeda Kazuhiko , Abe Ryu , Ishikawa Akio , Kubota Jun , Domen Kazunari 
Published: March 2009

Abstract
The photoelectrochemical properties of a GaN:ZnO solid solution coated as an electrode on conductive glass are investigated through measurement of voltammograms and current–time curves. The highest photocurrent was achieved by a GaN:ZnO sample with relatively high zinc concentration (Zn/Ga = 0.42) and small particle size, presumably due to more efficient electron transfer through the porous electrode. The electrode exhibits anodic photocurrent under visible light, indicating functionality as an n-type semiconductor electrode. The estimated band-gap position of GaN:ZnO is located at satisfactory potential for water splitting. The bottom of the conduction band is similar to that for GaN, while the top of the valence band is substantially higher than that of either GaN or ZnO. The evolution of H2 and O2 is confirmed during photoelectrolysis at +0.5 V vs. Ag/AgCl. The efficiency of photoelectrolysis is found to decrease with irradiation time due to degradation of the electrode.
Preparation of Iron-Containing Hectorite-Like Swelling Silicate
Authors: Ogawa Makoto , Matsutomo Takayuki , Okada Tomohiko 
Published: March 2009

Abstract
Iron-containing hectorite-like layered silicate was synthesized by the reaction of LiF, Mg(OH)2, colloidal silica, and FeCl3 in aqueous suspension at 100 °C for 2 days. From X-ray diffraction and infrared spectroscopic analysis, the formation of hectorite-like layered silicate was shown. Dimethyldioctadecylammonium and 1,1′-dimethyl-4,4′-bipyridinium (methyl viologen) ions were intercalated by cation-exchange reactions into the interlayer space of the iron-containing silicate. The intercalated amounts of both cationic species were larger compared to iron-free layered silicate, showing increase in the layer charge density of the silicate by the incorporation of iron(III). The increase in the layer charge was thought to be derived from isomorphous substitution of silicon(IV) by iron(III) in the silicate layer. The structural iron(III) was reduced to iron(II) by reaction with sodium dithionite, which was shown by a color-change (yellow to green) and the increase in the intercalated amounts of dimethyldioctadecylammonium and 1,1′-dimethyl-4,4′-bipyridinium ions.
Nanogel–Calcium Phosphate Hybrid Nanoparticles with Negative or Positive Charges for Potential Biomedical Applications
Authors: Yamane Setsuko , Sugawara Ayae , Sasaki Yoshihiro , Akiyoshi Kazunari 
Published: March 2009

Abstract
Self-assembled polysaccharide nanogels with negative or positive charges were used as templates for mineralization of calcium phosphate for potential biomedical application. The formation of stable and negatively- or positively-charged amorphous calcium phosphate nanoparticles was confirmed by transmission electron microscopy, energy-dispersive X-ray spectroscopy, and ζ-potential measurements.
We don't have language at our house: Disentangling the relationship between phonological awareness, schooling, and literacy
Authors: Alcock K. J. , Ngorosho D. , Deus C. , Jukes M. C. H. 
Published: March 2009

BackgroundA strong link between phonological awareness (PA) and literacy exists, but the origins of this link are difficult to investigate, since PA skills are hard to test in young, pre‐literate children, and many studies neither include such children nor report children's initial literacy levels.AimsTo examine PA and literacy in children who are attending or not attending school in rural East Africa.SampleOne hundred and eight children ages 7–10 years, with no education, or in grade 1 or 2, randomly selected from a community survey of all children in this age group.MethodsPA skill, reading, cognitive abilities, and socio‐economic status were examined.ResultsImplicit and explicit PA skill with small or large units is related to letter reading ability, and this effect is independent of age, schooling, and cognitive ability. Some PA tasks are performed above chance levels by children who cannot recognize single letters.ConclusionsBasic PA develops prior to the attainment of literacy, and learning to read improves PA both quantitatively and qualitatively.
Dealing with Missing Predictor Values When Applying Clinical Prediction Models
Authors: Janssen Kristel J M , Vergouwe Yvonne , Donders A Rogier T , Harrell Frank E , Chen Qingxia , Grobbee Diederick E , Moons Karel G M 
Published: March 2009

Abstract
Background: Prediction models combine patient characteristics and test results to predict the presence of a disease or the occurrence of an event in the future. In the event that test results (predictor) are unavailable, a strategy is needed to help users applying a prediction model to deal with such missing values. We evaluated 6 strategies to deal with missing values.
Methods: We developed and validated (in 1295 and 532 primary care patients, respectively) a prediction model to predict the risk of deep venous thrombosis. In an application set (259 patients), we mimicked 3 situations in which (1) an important predictor (D-dimer test), (2) a weaker predictor (difference in calf circumference), and (3) both predictors simultaneously were missing. The 6 strategies to deal with missing values were (1) ignoring the predictor, (2) overall mean imputation, (3) subgroup mean imputation, (4) multiple imputation, (5) applying a submodel including only the observed predictors as derived from the development set, or (6) the “one-step-sweep” method. We compared the model’s discriminative ability (expressed by the ROC area) with the true ROC area (no missing values) and the model’s estimated calibration slope and intercept with the ideal values of 1 and 0, respectively.
Results: Ignoring the predictor led to the worst and multiple imputation to the best discrimination. Multiple imputation led to calibration intercepts closest to the true value. The effect of the strategies on the slope differed between the 3 scenarios.
Conclusions: Multiple imputation is preferred if a predictor value is missing.
Hockey Education Program (HEP): A Statewide Measure of Fair Play, Skill Development, and Coaching Excellence
Authors: Smith Aynsley M. , Jorgenson Mark , Sorenson Matthew C. , Margenau David , Link Andrew A. , MacMillan Michael , Stuart Michael J. 
Published: March 2009

Abstract
Following the death of a youth hockey coach in a fight with a parent in 2000, the Mayo Clinic Sports Medicine Center and Minnesota Hockey collaborated to implement a three-component Hockey Education Program (HEP). HEP was initiated in 2003 to ensure youth players develop sportsmanship, skills, and a Fair Play approach to the game. Another goal was to decrease attrition of players, coaches, and officials. Coaching Excellence, a component of HEP, is based on 25 years of youth sport research. The HEP manuals Coaches Who Never Lose and Sports and Your Child contain the philosophy, objectives, and guidelines to ensure implementation of HEP components across players, coaches, and parents. The Skill Development component emphasizes learning age-appropriate hockey skills though skill progression. Increasing the practice-to-game ratio to 3–4 practices per game greatly increases the maximum time players skate with the puck during developmental years. Pre- and post-season Skills Challenges allow coaches, players, and parents to gauge improvement, and structure practices to address identified skill deficits. The Fair Play (FP) component emphasizes sportsmanship. Teams earn a FP point each game if they incur less than a preset number of penalty minutes. A coach receiving a game misconduct or a parent/spectator asked to leave the game will cause the team to forfeit their FP point. FP points are factored into league standings across the state. This past season, 17 678 records of game data were obtained and 25 % (4420) were randomly selected for analysis. The data analysis permits comparison across seasons and changes are made accordingly. Based on four years of data, most Minnesota youth hockey games are played in a sportsmanlike manner. Checking from behind and head contact penalties have decreased since the penalty minutes for these dangerous infractions were increased.
Development and Preliminary Testing of a Crack Detection Sensor for Crack Velocity Measurement of an Edge-Notched Disk
Authors: Hsieh Chi-Tai , Wang Chein-Lee , Wang Shih-Hui 
Published: March 2009

Abstract
In the present study, a crack velocity measuring system is developed based on the electrical method. The proposed crack velocity measuring system and an available crack gage system were attached on opposite sides of an edge-notched granite disk specimen to measure the velocity of crack propagation on each side of the surface crack. Three sensing materials were assessed for their applicability in crack detection. It was found that the sensing materials have a strong effect on the measurement of the crack velocity. Several observations on crack propagation and some aspects of the proposed measuring technique are discussed in this study.
Aufrechtes Dasein: Von den Haltungen des Lebens
Authors: Eickhoff Hajo 
Published: March 2009

Zusammenfassung
Die Evolution des Lebens, betrachtet unter der Perspektive der Haltung, zeigt, dass Lebewesen ihre Haltung im Kampf mit Beutetieren und Verfolgern gewinnen. Die Aufrichtung der Wirbeltiere  von der Horizontalen des Fisches zur Vertikalen des Menschen  ist die Entwicklung hin zu Freiheit und Haltungserfindung. Kulturhaltungen wie das Stuhlsitzen haben einen großen Einfluss auf die geistige Entwicklung des Menschen, indem sie seinen Körper disziplinieren und fixieren und er aus der Fixierung heraus die Technisierung der Welt befördern. Will der Mensch seine Freiheit bewahren, muss er Haltungssucher bleiben und Meister seiner Haltungen sein.
Zur menschlichen Natur. Bekenntnisse eines Essentialisten
Authors: Stagl Justin 
Published: March 2009

Zusammenfassung
Es wird zu zeigen versucht,warum wir um einen Begriff der menschlichen Natur nicht herumkommen können.Dann wird ein Modell derselben vorgestellt, das aus vier Schichten besteht: Biologisches Erbe und sozio-kulturelles Erbe des Menschen, exklusivere Einheiten,in die Menschen hineingeboren werden (Ethnien, Kulturen, Gesellschaften) und die menschliche Selbstbestimmungsfähigkeit. Sie sind stammesgeschichtlich verschieden alt, jedoch interdependent.
Menschliches Glück
Authors: Körner Jürgen 
Published: March 2009

Zusammenfassung
Menschen können Glück empfinden, weil sie  im Gegensatz zu den allermeisten Tieren  reflexiv sind und gelernt haben, aktuelle Situationen unter den Bedingungen ihres Anspruchsniveaus, ihrer Erwartungen an sich selbst und an ihre soziale Welt zu bewerten. Diese Bewertungsprozesse unterliegen ihrerseits situativen Einflüssen, wie z. B. der Erfahrung von Erfolg oder Misserfolg, aber sie sind auch von langfristig wirksamen Dispositionen abhängig, etwa von der Fähigkeit eines Menschen, Misserfolge oder Enttäuschungen zugunsten einer Selbstzufriedenheit auszubalancieren. In psychoanalytischer Perspektive entwickeln Menschen ihre Fähigkeit, Glück zu empfinden, erst im Verlaufe eines langen Sozialisationsprozesses. Wie die Beispiele der Entwicklung von Esskultur und der Fähigkeit zur symbolischen Repräsentation zeigen, führt der individuelle Weg zur Glücksfähigkeit notwendigerweise über eine große Zahl unlustvoller, entsagungsreicher Erfahrungen.
Leib und Ehr’. Perspektiven der Ethik
Authors: Brenner Andreas 
Published: March 2009

Zusammenfassung
Der dominant gewordene Diskurs der Philosophie hat die Vorstellung von unserem Leib verdrängt. Die Folgen davon zeigen sich in den Verhältnissen einer eingeschränkten Selbstwahrnehmung und Selbstwertschätzung. Wenn man in der Wiedererinnerung des Leibes die leibliche Fundierung von Scham- und Ehrgefühlen erkennt, so wird die leibliche Authentizität des Menschen sichtbar, welche es zu schützen gilt.
Lebende Kunst. Gesten der Profanierung
Authors: Schuhmacher-Chilla Doris 
Published: March 2009

Zusammenfassung
Wenn das Wesentliche des Lebens die sich in der Zeit vollziehende Vitalität, die Lebendigkeit ist, kann diese nicht manifestiert und nicht veranschaulicht werden. Sie kann in ihrer in der linearen Zeit verlaufenden Einmaligkeit nicht gezeigt, sondern nur dokumentiert und reflektiert werden und so auf einer transformierten Ebene noch einmal bewusst gemacht werden.
In diesem Verfahren wird die Zeitlichkeit gebannt und an ein Medium gebunden, z. B. an den Film, die Fotografie oder an eine Aufführung.
Wenn man das Leben veranschaulichen will oder das, was es ausmacht, darstellen will, hat man nur die Möglichkeit zu dokumentieren oder zu symbolisieren. Nur aus diesem Grund kann Kunst nicht Leben sein und Leben nicht Kunst.
Gibt es ein Leben ohne Erzählung?
Authors: Delory-Momberger Chrstine 
Published: March 2009

Zusammenfassung
Die Erzählung transformiert Ereignisse, Aktionen und Personen des Lebens in Episoden, Handlungen und Protagonisten; sie ordnet Ereignisse in der Zeit und konstruiert zwischen ihnen Beziehungen von Ursache, Folge und Ziel, sie weist so dem Gelegentlichen, dem Zufälligen, dem Heterogenen einen Ort und einen Sinn zu. Durch die Erzählung werden die Menschen zu Protagonisten ihres Lebens und machen aus diesem eine Geschichte. Dieses Konfigurationsverfahren, das Paul Ricoeur mit dem Begriff mise en intrigue beschrieben hat, vollzieht sich in der Sprache. Die Erzählung als Diskursgenre ist dafür nicht nur das Mittel, sondern die Stätte: Das Leben findet in der Erzählung statt, es findet statt als Geschichte. Was dem Leben und der Erfahrung der Menschen Form gibt, sind die Erzählungen, die sie daraus machen. Das Erzählen ist demnach nicht nur das symbolische System, in dem die Menschen das Empfinden ihrer Existenz auszudrücken vermögen: das Erzählen ist die Stätte, wo die menschliche Existenz ihre Form erhält, wo sie sich in Form einer Geschichte ausarbeitet und entwirft.
Das nackte Leben: Vom Labor zum Lager
Authors: Schwarte Ludger 
Published: March 2009

Zusammenfassung
Die Experimentalwissenschaft ist mit modernen Herrschaftstechniken verzahnt. Das Lager, Inbegriff der modernen Herrschaft über das Leben, ist ohne diese beiden Seiten, ohne das getestete Wissen und den automatisierten Befehl, nicht zu begreifen. Mein Text stellt den Versuch dar, den Begriff des nackten Lebens durch die Analyse der historischen und systematischen Bezüge zwischen Labor und Lager zu klären.
Extraction of K+, Rb+ and Tl+ from Water into Nitrobenzene by Using Cesium Dicarbollylcobaltate in the Presence of Hexaethyl Calix[6]arene Hexaacetate
Authors: Makrlík E. , Vanura P. 
Published: March 2009

Abstract
From extraction experiments and γ-activity measurements, the exchange extraction constants corresponding to the general equilibrium M+(aq)+CsL+(nb) ↔ ML+(nb)+Cs+(aq) taking place in the two-phase water-nitrobenzene system (M+ = K+, Rb+, Tl+; L = hexaethyl calix[6]arene hexaacetate; aq = aqueous phase, nb = nitrobenzene phase) were evaluated. Further, the stability constants of the ML+ complexes in water saturated nitrobenzene were calculated; they were found to increase in the cation order K+< Rb+< Tl+.
Extraction of Microamounts of Calcium and Strontium into Nitrobenzene by Using Hydrogen Dicarbollylcobaltate in the Presence of “Classical” CMPO
Authors: Makrlík E. , Vanura P. , Selucky P. 
Published: March 2009

Abstract
Extraction of microamounts of calcium and strontium by a nitrobenzene solution of hydrogen dicarbollylcobaltate (H+B-) in the presence of octyl-phenyl-N,N-diisobutylcarbamoylmethyl phosphine oxide (“classical” CMPO, L) has been investigated. The equilibrium data have been explained assuming that the complexes HL+, HL2
+, CaL2+, CaL2
2+, CaL3
2+, SrL2
2+, SrL3
2+ and SrL4
2+ are extracted into the organic phase. The values of extraction and stability constants of the species in nitrobenzene saturated with water have been determined.