bluuebunny/crossref_metadata_2025_split huggingface dataset:
Preparation and Reactivity of [D3d]‐Octahedrane: The Most Stable (CH)12 Hydrocarbon
Authors: de Meijere Armin , Lee Chi‐Hung , Kuznetsov Mikhail A. , Gusev Dmitriy V. , Kozhushkov Sergei I. , Fokin Andrey A. , Schreiner Peter R. 
Published: August 2005

AbstractThe synthesis of the (CH)12 hydrocarbon [D3d]‐octahedrane (heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecane) 1 and its selective functionalization retaining the hydrocarbon cage is described. The B3LYP/6‐311+G* strain energy of 1 is 83.7 kcal mol−1 (4.7 kcal mol−1 per CC bond) which is significantly higher than that of the structurally related (CH)16 [D4d]‐decahedrane 2 (75.4 kcal mol−1; 3.1 kcal mol−1 per CC bond) and (CH)20 [Ih]‐dodecahedrane 3 (51.5 kcal mol−1; 1.7 kcal mol−1 per CC bond); the heats of formation for 1–3 computed according to homodesmotic equations are 52, 35, and 4 kcal mol−1. Catalytic hydrogenation of 1 leads to consecutive opening of the two cyclopropane rings to give C2‐bisseco‐octahedrane (pentacyclo[6.4.0.02,6.03,11.04,9]dodecane) 16 as the major product. Although 1 is highly strained, its carbon skeleton is kinetically quite stable: Upon heating, 1 does not decompose until above 180 °C. The B3LYP/6‐31G* barriers for the SR2 attack of the tBuO. and Br3C. radicals on a carbon atom of one of the cyclopropane fragments (Δ${G{{\,{\ne}\hfill \atop 298\hfill}}}$ = 27–28 kcal mol−1) are higher than those for hydrogen atom abstraction. The latter barriers are virtually identical for the abstraction from the C1‐H and C2‐H positions with the tBuO. radical (Δ${G{{\,{\ne}\hfill \atop 298\hfill}}}$ = 17.4 and 17.9 kcal mol−1, respectively), but significantly different for the reaction at these positions with the Br3C. radical (Δ${G{{\,{\ne}\hfill \atop 298\hfill}}}$ = 18.8 and 21.0 kcal mol−1). These computational results agree well with experiments, in which the chlorination of 1 with tert‐butyl hypochlorite gave a mixture of 1‐ and 2‐chlorooctahedranes (ratio 3:2). The bromination with carbon tetrabromide under phase‐transfer catalytic (PTC) conditions (nBu4NBr/NaOH) selectively gave 1‐bromooctahedrane in 43 % isolated yield. For comparison, the PTC bromination was also applied to 2,4‐dehydroadamantane yielding 54 % 7‐bromo‐2,4‐dehydroadamantane.
Highly Modular Synthesis of C1‐Symmetric Aminosulfoximines and Their Use as Ligands in Copper‐Catalyzed Asymmetric Mukaiyama‐Aldol Reactions
Authors: Langner Martin , Rémy Pauline , Bolm Carsten 
Published: August 2005

AbstractThe development of C1‐symmetric aminosulfoximines, their highly modular synthesis, and their application in enantioselective copper‐catalyzed Mukaiyama‐type aldol reactions between pyruvates and enolsilanes is described. In this context, the influence of the ligand architecture as well as the optimization of the reaction conditions are discussed. In detail, the dependence of the catalyst efficiency on the solvent, the metal source and the temperature are reported, and an interesting additive effect is highlighted. Furthermore, the substrate scope will be presented. With the optimized catalyst system, a number of aldol products with quaternary stereogenic centers have been obtained in high yields and with enantiomeric excesses up to 99 %.
Carbonic Anhydrase Inhibitors: Synthesis and Inhibition of Cytosolic/Tumor‐Associated Carbonic Anhydrase Isozymes I, II, and IX with Sulfonamides Incorporating Thioureido‐Sulfanilyl Scaffolds.
Authors: Puccetti Luca , Fasolis Giuseppe , Cecchi Alessendro , Winum Jean‐Yves , Gamberi Alessandro , Montero Jean‐Louis , Scozzafava Andrea , Supuran Claudiu T. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Electrochemical Fluorination of Several Esters Derived from Oxolane‐2‐yl‐carboxylic Acid, Oxolane‐2‐yl‐methanol and Oxane‐2‐yl‐methanol.
Authors: Abe Takashi , Tamura Masanori , Sekiya Akira 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
An Efficient Synthesis of Bis(indolyl)methanes Catalyzed by Recycled Acidic Ionic Liquid.
Authors: Gu Da‐Gong , Ji Shun‐Jun , Jiang Zhao‐Qin , Zhou Min‐Feng , Loh Teck‐Peng 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Synthesis and Reductive Reactions of 2,3‐Dioxo‐2,3‐dihydrobenzo[b]furo[2,3‐f]‐, ‐[2,3‐g]‐, and ‐[3,2‐e]indoles.
Authors: Khoshtariya T. E. , Matnadze M. M. , Mirziashvili N. T. , Kurkovskaya L. N. , Sikharulidze M. I. , Dzhashi T. O. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
I2‐Mediated Photochemical Preparation of 2‐Substituted 1,3‐Dioxolanes and Tetrahydrofurans from Alcohols with Polymer‐Supported Hypervalent Iodine Reagent, PSDIB.
Authors: Teduka Tomomasa , Togo Hideo 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Synthesis, Analgesic and Antiinflammatory Properties of Certain 5‐/6‐Acyl‐3‐(4‐substituted‐1‐piperazinylmethyl)‐2‐benzoxazolinones Derivatives.
Authors: Koeksal Meric , Goekhan Nesrin , Kuepeli Esra , Yesilada Erdem , Erdogan Hakki 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
A Novel and Simple Synthesis of 2‐(Trifluoromethyl)‐4H‐thiochromen‐4‐ones
Authors: Usachev Boris I. , Sosnovskikh Vyacheslav Ya. , Shafeev Mikhail A. , Roeschenthaler Gerd‐Volker 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Preparation of Cyanopyridines by Direct Cyanation.
Authors: Katritzky Alan R. , Scriven Eric F. V. , Majumder Suman , Tu Hongbin , Vakulenko Anatoliy V. , Akhmedov Novruz G. , Murugan Ramiah 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
A Mild and Efficient Synthesis of 2,5‐Disubstituted 2,3‐Dihydro‐4‐pyridones Catalyzed by Yb(OTf)3.
Authors: Cheng Ke , Zeng Baiqing , Yu Zhipeng , Gao Bo , Feng Xiaoming 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Synthesis of 6‐Aryl‐1,6‐dihydrodipyrazolo[3,4‐b:4,3‐c]pyridines
Authors: Vovk M. V. , Mel'nichenko N. V. , Sukach V. A. , Chubaruk N. G. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Studies in Thio‐Claisen Rearrangement. Synthesis of Thieno‐[3,2‐c]‐quinolone Derivatives from 4‐Allylthioquinolin‐2‐(1H)‐ones.
Authors: Majumdar K. C. , Saha D. , Ghosh M. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Green Chemical Multi‐Component One‐Pot Synthesis of Fluorinated 2,3‐Disubstituted Quinazolin‐4(3H)‐ones under Solvent‐Free Conditions and Their anti‐Fungal Activity.
Authors: Dandia Anshu , Singh Ruby , Sarawgi Pritima 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Palladium‐Catalyzed Addition of Cyanoboranes to Alkynes: Regio‐ and Stereoselective Synthesis of α,β‐Unsaturated β‐Boryl Nitriles.
Authors: Suginome Michinori , Yamamoto Akihiko , Murakami Masahiro 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Toward the Library Generation of Natural Product Like Polycyclic Derivatives by Stereocontrolled Diversity‐Oriented Synthesis
Authors: Arya P. , Quevillon S. , Joseph R. , Wei C.‐Q. , Gan Z. , Parisien M. , Sesmilo E. , Reddy P. T. , Chen Z.‐X. , Durieux P. , et al. et al. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Sodium and Sulfur Process Chemistry in Black Liquor Gasification and Combustion: Review and Reevaluation of Basic Thermochemical Data
Authors: Larsson Anders , Lindberg Gustav , Raberg Mathias , Nordin Anders , Bostroem Dan , Rosen Erik , Warnqvist Bjoern , Backman Rainer 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Light‐Driven Unidirectional Rotation in a Molecule: ROKS Simulation
Authors: Grimm Stephan , Bräuchle Christoph , Frank Irmgard 
Published: August 2005

AbstractWe present a first‐principles molecular dynamics study of the excited‐state motion in a molecule that has recently been proven to exhibit light‐driven unidirectional rotation. The simulations show that the directed motion is due to the complex excited‐state dynamics on ultrashort timescales in the chiral system.
Unusual Temperature Effects in Propene Polymerization Using Stereorigid Zirconocene Catalysts
Authors: Jensen Vidar R. , Graf Martin , Thiel Walter 
Published: August 2005

AbstractFree Car–Parrinello molecular dynamics (CPMD) simulations of four diastereomers of the zirconium–propene complexes [{iPr(3‐iPr‐CpFlu)}ZriBu(C3H6)]+ (Cp=cyclopentadienyl; Flu=fluorenyl) provide valuable insight into the mechanism and stereocontrol of propene polymerization with stereorigid metallocenes. Spontaneous insertion of propene into the zirconium–isobutyl bond is not observed, and propene is found to be weakly bound and to rotate relatively freely around the CC bond to be formed. Large‐amplitude rotation of the isopropyl substituent around the CpiPr bond may play a role in triggering dissociation of propene. Three of the four diastereomers eliminate propene during the course of the simulations, which makes dissociation the dominating event on a 20‐ps timescale. The CPMD simulations thus support the validity of the assumption, fundamental to statistical propagation models, that each insertion is independent of the preceding insertions. Using insertion barriers from static density functional calculations, the statistical model predicts the polypropene microstructure in good agreement with experiment at low polymerization temperatures for the catalysts {iPr(3‐R‐CpFlu)}ZrCl2 (R=H, iPr, tBu). The predictions become less accurate at higher temperatures, probably due to the onset of the competing back‐skip reaction, which is not included in the model.
Series of Mn Complexes Based on N‐Centered Ligands and Superoxide – Reactivity in an Anhydrous Medium and SOD‐Like Activity in an Aqueous Medium Correlated to MnII/MnIII Redox Potentials
Authors: Durot Stéphanie , Policar Clotilde , Cisnetti Federico , Lambert François , Renault Jean‐Philippe , Pelosi Giorgio , Blain Guillaume , Korri‐Youssoufi Hafsa , Mahy Jean‐Pierre 
Published: August 2005

AbstractTwo crystal structures are described in this article: (a) the structure of a monomeric MnII complex with the tridentate N‐centered N3 ligand tris[(1‐methyl‐2‐imidazolyl)methyl]amine (TMIMA) ([MnII(TMIMA)2]2+); and (b) the structure of a monomeric MnIII complex with the tridentate N‐centered N2O ligand 2‐{[(1‐methyl‐2‐imidazolyl)methyl]amino}phenolate (PI–)2 ([MnIII(PI)2]+) (5). The latter was isolated both in the MnII and in the MnIII state, although only MnIII crystals were successfully grown. They are part of a series of Mn complexes prepared as SOD mimics, namely [Mn(BMPG)(H2O)]+ (2) {BMPG = N,N‐bis[(6‐methyl‐2‐pyridyl)methyl]glycinate}, [Mn(IPG)(MeOH)]+ (3) {IPG = N‐[(1‐methyl‐2‐imidazolyl)methyl]‐N‐(2‐pyridylmethyl)glycinate}, [Mn(BIG)(H2O)2]+ (4) {BIG = N,N‐bis[(1‐methyl‐2‐imidazolyl)methyl]glycinate}. The reactivity of MnII complexes 1 and 2 in an anhydrous medium is described and compared to that of complexes 3 and 4, the data for which was previously published. The cyclic voltammograms of the whole complex series were recorded in an aqueous medium (collidine buffer). Their SOD‐like activities were estimated by the McCord–Fridovich test (IC50 with 22 μM cytc FeIII: 1.6 ± 0.1 μMol L–1 for 1, 1.2 ± 0.5 μmol L–1 for 2, 3.0 ± 0.2 μmol L–1 for 3, 3.7 ± 0.6 μmol L–1 for 4, 0.8 ± 0.1 μmol L–1 for 5). IC50 values were converted into the corresponding kinetic constant kMcCF values. A linear correlation between Ea and log(kMcCF) was obtained, indicating that in this series the conversion to MnIII is probably the rate‐limiting step. This is of substantial importance for further Mn–SOD mimic design in this series. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
γ‐Alumina as a Support for Catalysts: A Review of Fundamental Aspects
Authors: Trueba Monica , Trasatti Stefano P. 
Published: August 2005

AbstractThe present review discusses the most important aspects to take into consideration to improve the properties of γ‐Al2O3 as a support for catalytic applications. We show that the synthetic route to γ‐Al2O3 is the starting point that determines the micro‐ and macrostructure of the oxide and, consequently, allows control of the support characteristics. The relevance of the adequate structural characterization of the oxide as well as of its surface sorption behavior through the proton‐affinity distributions, are considered. The usefulness of the latter during supported catalyst preparation, for catalytic active sites characterization, and for stability evaluation after calcination are discussed for the Co/γ‐Al2O3 system in particular. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Complexes of the Bicyclic Multifunctional Sulfur‐Nitrogen Ligand F3CCN5S3with Co2+, Zn2+, Cu2+, and Cd
Authors: Knapp Carsten , Mews Rüdiger 
Published: August 2005

AbstractThe ability of the sulfur‐nitrogen‐carbon bicycle F3CCN5S3to act as a donor towards transition metal cations has been investigated. F3CCN5S3forms complexes with [M(SO2)2](AsF6)2[M = Co, Cu, Zn, Cd] in the ratio 2:1 of the composition [M(F3CCN5S3)2(OSO)2(FAsF5)2] [M = Co (1), Zn (3)], [Cu(F3CCN5S3)2(μ‐F)(μ‐F2AsF4)]2(4), and [Cd(F3CCN5S3)(μ‐F3CCN5S3)(η2‐F2AsF4)2]2(5) in liquid sulfur dioxide. In the octahedral Co and Zn complexes F3CCN5S3coordinates as a monodentate ligand through the bridging nitrogen atom N5, which carries the highest negative charge according to theoretical calculations. With Cu2+a dinuclear structure with a central planar, four‐membered Cu2F2ring is formed, which has the shortest Cu···Cu distance of all structurally characterized Cu2F2units. Similar to the Co and Zn complexes, F3CCN5S3acts as a terminal monodentate ligand in the Cu compound. The reaction with the larger and softer Cd2+cation results in a dinuclear complex that contains terminal and bridging F3CCN5S3ligands. The bridging ligands coordinate through N5 and a nitrogen atom neighboring the carbon atom. In addition, a third weak bonding interaction between one fluorine atom of the trifluoromethyl substituent and the Cd2+center is observed. The formation of the different structures and the versatile coordination modes of the F3CCN5S3ligand are discussed. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Detection of Intramolecular Interactions and Molecular Motion in Catenanes by Pulse Voltammetry Methods
Authors: Bilewicz Renata , Korybut‐Daszkiewicz Bohdan , Rogowska Agnieszka , Szydłowska Jadwiga , Wiȩckowska Agnieszka , Domagała Sławomir , Woźniak Krzysztof 
Published: August 2005

AbstractPulse voltammetries allowed to demonstrate that interlocking of a dibenzocrown ether with the homo‐ or heterodinuclear bismacrocyclic transition metal complexes leads to increased stability of the mixed‐valence state. Based on the shape of differential pulse curves, the value of comproportionation constants were obtained, showing that the observed effect was larger for the dinickel (d8d8) than for the dicopper (d9d9) catenane. Nonequivalent copper environments in copper catenane were detected by ESR technique. If both of the coordinated ions were identical, the translocation of the crown ether moiety from one site to the other produced the same catenane arrangement. However, intertwining of the dibenzo‐24‐crown‐8 with a heterodinuclear bismacrocyclic complex lead to two possible arrangements, where the π‐electron‐rich benzene rings were located in the vicinity of either the copper or nickel‐complexing macrocycle, depending on the oxidation state of the coordinated ions. Reverse pulse voltammetry with varying initial potentials, Ei, was found to be a convenient tool to follow these subtle changes of electrochemical behavior of redox centers caused by changed interactions inside the molecule.
Forecasting the dollar/euro exchange rate: are international parities useful?
Authors: Sosvilla‐rivero Simón , García Emma 
Published: August 2005

AbstractIn this paper we assess the empirical relevance of an expectations version of purchasing power parity in forecasting the dollar/euro exchange rate. This version is based on the differential of inflation expectations derived from inflation‐indexed bonds for the euro area and the USA.Using the longest daily data for both the dollar/euro exchange rate and for the inflation expectations, our results suggest that, with few exceptions, our predictors behave significantly better than a random walk in forecasts up to five days, both in terms of prediction errors and in directional forecasts. Copyright © 2005 John Wiley & Sons, Ltd.
Dimensions and deglacial chronology of the Outer Hebrides Ice Cap, northwest Scotland: implications of cosmic ray exposure dating
Authors: Stone John O. , Ballantyne Colin K. 
Published: August 2005

AbstractCosmic ray exposure ages of frost‐weathered bedrock from mountain summits in the Outer Hebrides exceed the age of Late Devensian glaciation. Exposure ages of most glacially‐abraded bedrock surfaces at low and intermediate elevations are younger than the age of maximum Late Devensian glaciation. These results confirm that previously mapped periglacial trimlines in the Outer Hebrides define the upper limit of bedrock erosion by Late Devensian ice. They are consistent with the interpretation, based on geomorphological evidence, that the trimlines mark the approximate upper limit of a Late Devensian Outer Hebrides Ice Cap. A postglacial exposure age from the summit of Oreval (662 m) suggests that this mountain was overrun during the last glaciation, indicating thicker ice cover and a lower surface gradient west of the ice‐cap divide than previously inferred. Although bedrock surfaces below the trimlines are strongly ice‐moulded, some show evidence of prior cosmic ray exposure, which we attribute to limited erosion during Late Devensian glaciation. If this interpretation is correct, the youngest apparent ages from these surfaces give the most reliable dates for deglaciation, at ca. 14.5–14 ka. This implies that ice persisted at favourable sites through the warm opening phase of the Windermere Interstade. Comparison with radiocarbon‐dated evidence from offshore cores suggests net ice margin retreat of ∼74 km eastwards across the adjacent shelf in > 2.3 ± 1.0 ka. The dating evidence is consistent with relatively rapid retreat of calving margins to the coast, then slower withdrawal of ice margins to high ground. Copyright © 2005 John Wiley & Sons, Ltd.
The feasibility of monitoring NF‐κB associated cytokines: TNF‐α, IL‐1α, IL‐6, and IL‐8 in whole saliva for the malignant transformation of oral lichen planus
Authors: Rhodus Nelson L. , Cheng Bin , Myers Sandra , Miller Lindsay , Ho Vu , Ondrey Frank 
Published: August 2005

AbstractPrevious investigations have demonstrated that immune activation and chronic inflammation may be one of the causes of oncogenesis. A previous study from our lab has shown significant increases of NF‐κB dependent cytokines, TNF‐α, IL‐1α, IL‐6, and IL‐8 in different oral fluids from oral lichen planus (OLP) patients. The aim of this analysis was to explore the potential of detecting these cytokines in whole unstimulated saliva (WUS) in monitoring the malignant transformation of OLP. Thirteen patients with OLP (with epithelial dysplasia), 13 cases with oral squamous cell carcinoma (OSCC), and 13 age‐sex matched controls were enrolled in the study. The WUS samples were collected and the level of TNF‐α, IL‐1α, IL‐6, and IL‐8 in WUS was determined by ELISA. In moderate and severe dysplasia, the level of each cytokine was significantly higher than in control. In moderate dysplasia, TNF‐α and IL‐1α were significantly increased at a level without difference from OSCC, but IL‐6 and IL‐8 was detected at a concentration significantly lower than OSCC. In severe dysplasia, the level of TNF‐α was also not significantly different from that of OSCC, and the level of IL‐1α, IL‐6, and IL‐8 was still significantly lower than that of OSCC. The level of four cytokines between smokers and non‐smokers in each group did not show a significant difference. These results indicate that the change of NF‐κB dependent cytokines in WUS may in part reflect the malignant transformation of OLP and the analysis of these cytokines and may provide a useful, non‐invasive surrogate endpoint for monitoring malignant transformation as well as the therapeutic response of OLP. This is the first in vivo study utilizing saliva to confirm preclinical data that NF‐κB is upregulated in oral carcinogenesis. © 2005 Wiley‐Liss, Inc.
Quantification of acetogenins in Annona muricata linked to atypical parkinsonism in guadeloupe
Authors: Champy Pierre , Melot Alice , Guérineau Eng Vincent , Gleye Christophe , Fall Djibril , Höglinger Gunter U. , Ruberg Merle , Lannuzel Annie , Laprévote Olivier , Laurens Alain , Hocquemiller Reynald 
Published: August 2005

AbstractAtypical parkinsonism in Guadeloupe has been associated with the consumption of fruit and infusions or decoctions prepared from leaves of Annona muricata L. (Annonaceae), which contains annonaceous acetogenins, lipophilic inhibitors of complex I of the mitochondrial respiratory chain. We have determined the concentrations of annonacin, the major acetogenin in A. muricata, in extracts of fruit and leaves by matrix‐assisted laser desorption‐ionization mass spectrometry. An average fruit is estimated to contain about 15 mg of annonacin, a can of commercial nectar 36 mg, and a cup of infusion or decoction 140 μg. As an indication of its potential toxicity, an adult who consumes one fruit or can of nectar a day is estimated to ingest over 1 year the amount of annonacin that induced brain lesions in rats receiving purified annonacin by intravenous infusion. © 2005 Movement Disorder Society
Headgroup structure and fatty acid chain length of the acidic phospholipids modulate the interaction of membrane mimetic vesicles with the antimicrobial peptide protegrin‐1
Authors: Jing Weiguo , Prenner Elmar J. , Vogel Hans J. , Waring Alan J. , Lehrer Robert I. , Lohner Karl 
Published: August 2005

AbstractThe interaction of protegrin‐1 (PG‐1), a small β‐sheet antimicrobial peptide with acidic phospholipid model membranes was investigated by differential scanning calorimetry. We found that PG‐1 can distinguish between liposomes of the anionic phospholipids DPPG, DPPS and DPPA, eventhough the headgroups of these phospholipids all have the same net charge and they carry the same hydrocarbon chains. Specifically, PG‐1 had only a minor effect on the thermotropic phase behavior of DPPA liposomes, while it interacted preferentially with the fluid phase of DPPS. Furthermore, PG‐1 could induce a phase separation in DPPG liposomes resulting in the formation of peptide‐rich domains even at low concentrations of the peptide. However, this peptide‐rich domain was not evident when the fatty acyl chains were longer or shorter by two carbon atoms. In addition, PG‐1 can also form peptide‐rich domains in DPPS vesicles but only at high concentrations of the peptide. These results suggest that in addition to an overall negative charge, the structural features of the phospholipid headgroups, lipid packing and thus membrane fluidity will influence the interaction with PG‐1, thereby modulating its biological activity. Copyright © 2005 European Peptide Society and John Wiley & Sons, Ltd.
Titanium vacancies in nonstoichiometric TiO2 single crystal
Authors: Nowotny M. K. , Bak T. , Nowotny J. , Sorrell C. C. 
Published: August 2005

AbstractThe semiconducting properties of single‐crystal TiO2 and their changes during prolonged oxidation at elevated temperatures and under controlled oxygen activity were monitored using measurements of electrical conductivity and thermo‐electric power. Two kinetic regimes were revealed: Regime I – rapid oxidation, associated with the transport of oxygen vacancies, and Regime II – prolonged oxidation, which corresponds to the transport of titanium vacancies. The present data represent the first documented evidence for the formation and transport of titanium vacancies in TiO2. This finding allows the processing of p‐type TiO2 without the incorporation of aliovalent foreign ions. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)