bluuebunny/crossref_metadata_2025_split huggingface dataset:
Implementing advanced analysis for steel frame design
Authors: Chen W F 
Published: December 2005

AbstractThe recent development of a practical advanced analysis method for direct steel frame design is summarized. Since the method has been calibrated against the AISC/LRFD specification, it will produce almost identical member sizes to those of the LRFD method, without the tedious calculations of the effective length factor as well as the time‐consuming member‐by‐member capacity checks required by the Code. The aim is to provide a smooth transition from the current indirect LRFD analysis and design practice to the direct advanced analysis method suitable for use in engineering practice; the proposed practical theory and analysis procedures only require simple modifications of an existing inhouse elastic program that is widely available in current engineering practice.
Loads on bridges
Authors: Calgaro J‐A 
Published: December 2005

AbstractPart 3 of Eurocode 1, published by the Comité Européen de Normalisation (CEN) in 1995 as ENV 1991‐3, defines traffic load models to be used for the design of road bridges, footbridges and railway bridges. These models have been selected and calibrated to cover the most common traffic effects with an appropriate margin of reliability. Scientific studies have been performed, based on real traffic data as far as such data were available and on various theoretical developments. ENV 1991‐3 is probably the most refined code in existence compared with similar national standards. Its content is systematically described in this review and some aspects of the background studies on road traffic loads are outlined.
Mixed singlet‐triplet superconducting state in doped antiferromagnets
Authors: Maci¸ag A. , Wróbel P. 
Published: December 2005

AbstractWe analyze symmetry mixing in the superconducting (SC) order parameter of planar cuprates. The behavior of thermal conductivity observed in some systems doped with magnetic impurities or in some systems exposed to external magnetic field seems to indicate that such symmetry mixing takes place. We discuss this phenomenon in the framework of the spin polaron model (SPM). We assume that antiferromagnetic (AF) correlations, which are at least of short range, tend to confine motion of holes which have been created in the AF spin background. The nature of the propagation of quasiparticles which are hole‐like and the nature of the interaction between quasiparticles is determined by a tendency to restore the local AF order. It is known that two holes in the t –J model (tJ M) form bound states with dx 2–y 2 or p‐wave symmetry. The d‐wave bound state has lower energy and is the ground state. The mixing of d‐wave symmetry with p‐wave symmetry takes place in the SC order parameter at some range of finite values of the doping parameter. That range lies at the applicability verge of the SPM, where AF correlation are already very short. On the other hand, these correlations may be strengthened by above mentioned external factors, which seems to explain why symmetry mixing is observed in this case. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
The role of space‐charge‐induced electric field on transient photocurrent response in organic semiconductors
Authors: Pavlica E. , Bratina G. 
Published: December 2005

AbstractThe hopping model of charge‐carrier transport coupled to the Monte Carlo simulations was used to predict the time evolution of the photoinduced charge‐carrier current,I(t), through a layer of an organic semiconductor. Two electric‐field configurations inside the layer were considered: a uniform electric field and the electric field due to the injected space charge. A method to extract charge‐carrier mobility without a precise knowledge of the spatial dependence of the electric field is proposed. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Thermodynamic properties of the Ising and Heisenberg S = 1 ferromagnet with biquadratic exchange and uniaxial anisotropy
Authors: Manojlović M. , Pantić M. , Škrinjar M. , Kapor D. , Stojanović S. , Pavkov M. 
Published: December 2005

AbstractWe study the thermodynamic properties of S = 1 Ising and Heisenberg ferromagnets with both bilinear and biquadratic exchange and/or uniaxial anisotropy of both easy axis/plane character. Using the mean‐field (MF) approximation we evaluated the free energy enabling us to study in detail the behavior of the order parameters and the dependence of the critical point on the anisotropy. We show that in the presence of biquadratic interaction, there is a difference in the behavior between the Ising and the Heisenberg model even in the MF approximation, which is not the case for the bilinear interaction. Combining the equations of motion for Green's functions with identities particular to S = 1, we managed to perform the random phase approximation without the decoupling of the operators at the same site, avoiding the peculiarities of the Callen–Anderson decoupling. This allowed us to improve the phase diagram for the Heisenberg model. The important result is the demonstration of the effect of anisotropy to nonvanishing of the quadrupolar order parameter at the Curie point. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Homes relation in the attractive Hubbard model in d = ∞
Authors: Bak M. 
Published: December 2005

AbstractLack of the recognized theory of high‐temperature superconductivity (HTS) has led to an intense experimental and theoretical search for some universal relationships, which might unravel the physics behind the HTS. One of the most known is so called Uemura relation, ρ s(0) ∝ T c, where ρ s is superfluid density and T c is the superconducting transition temperature. Recently Homes et al. [Nature 430, 539 (2004)] reported a new universal scaling relation, ρ s ∝ σ dc(T c) · T c, where σ dc(T ) is dc conductivity. In the present paper Homes relation is investigated theoretically in the limit of infinite dimensions in the second order perturbation theory. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Zweifach und dreifach intramolekular verbrückte p‐tert‐Butylcalix[8]aren‐triphosphate – Synthese, Struktur und Stereochemie
Authors: Gloede Jörg , Ozegowski Sigrid , Keitel Iris , Buttke Klaus , Gruner Margit , Costisella Burkhard , Pritzkow Wolfgang , Stephan Holger , Bartoschek Michael 
Published: December 2005

AbstractTwo‐ and Threefold Intramolecular Brigdging p‐tert‐Butylcalix[8]arene Triphosphates – Synthesis, Structure and Stereochemistry [1]The phosphorylation of p‐tert‐butylcalix[8]arene (1) with phosphorus pentachloride and hydrolysis gives intramolecular bridging tert‐butylcalix[8]arene triphosphates. The reactivity (esterification, dehydratisation, complexation), the structure (nmr and x‐ray), and the stereochemical behaviour of the phosphates will be discussed.
Quecksilber(II)‐chlorid‐ und ‐iodid‐Komplexe von Dithia‐ und Tetrathiakronenethern
Authors: Holdt Hans‐Jürgen , Müller Holger , Kelling Alexandra , Drexler Hans‐Joachim , Müller Thomas , Schwarze Thomas , Schilde Uwe , Starke Ines 
Published: December 2005

AbstractMercury(II) Chloride and Iodide Complexes of Dithia‐ and Tetrathiacrown EthersThe complexes [(HgCl2)2((ch)230S4O6)] (1), [HgCl2(mn21S2O5)] (2), [HgCl2(ch18S2O4)] (3) and [HgI(meb12S2O2)]2[Hg2I6] (4) have been synthesized, characterized and their crystal structures were determined. In [(HgCl2)2((ch)230S4O6)] two HgCl2 units are discretely bonded within the ligand cavity of the 30‐membered dichinoxaline‐tetrathia‐30‐crown‐10 ((ch)230S4O6) forming a binuclear complex. HgCl2 forms 1 : 1 “in‐cavity” complexes with the 21‐membered maleonitrile‐dithia‐21‐crown‐7 (mn21S2O5) ligand and the 18‐membered chinoxaline‐dithia‐18‐crown‐6 (ch18S2O4) ligand, respectively. The 12‐membered 4‐methyl‐benzo‐dithia‐12‐crown‐4 (meb12S2O2) ligand gave with two equivalents HgI2 the compound [HgI(meb12S2O2)]2[Hg2I6]. In the cation [HgI(meb12S2O2)]+ meb12S2O2 forms with the cation HgI+ a half‐sandwich complex.
New Aquapentachlorochromate(III) Compounds: K2[CrCl5(H2O)] and (NH4)2[CrCl5(H2O)]
Authors: Casari Barbara M. , Eriksson Annika K. , Langer Vratislav 
Published: December 2005

AbstractSynthesis and crystal structures of two new compounds, K2[CrCl5(H2O)] (I) and (NH4)2[CrCl5(H2O)] (II) are reported. Both compounds were prepared from chromium(VI) salts by two different methods and reaction pathways of these syntheses are suggested. The crystal structures of these two aquapentachlorochromates(III) have been determined from three dimensional X‐ray data collected at low temperature, 173 K. The two structures are isomorphous and their unit cell dimensions are quite similar. They are orthorhombic, space groups Pnma, with Z = 4. Both structures are composed of [CrCl5(H2O)]2− units held together by the counterion framework. The coordination around the chromium ion deviates from a regular octahedron due to the shorter equatorial chromium‐oxygen bond.
Novel Complexes of Gallium(III), Indium(III), and Thallium(III) with Pyridine‐Containing Proton Transfer Ion Pairs Obtained from Dipicolinic Acid – Synthesis, Characterization and X‐ray Crystal Structure
Authors: Aghabozorg Hossein , Ramezanipour Farshid , Kheirollahi Parvaneh D. , Saei Ali A. , Shokrollahi Ardeshir , Shamsipur Mojtaba , Manteghi Faranak , Soleimannejad Janet , Sharif Mahboubeh A. 
Published: December 2005

AbstractThree new complexes of group thirteen metals, gallium(III), indium(III), and thallium(III) with proton transfer compounds, obtained from 2,6‐pyridinedicarboxylic acid (dipicolinic acid), were synthesized and characterized using elemental analysis, IR, 1H and 13C NMR spectroscopy and single crystal X‐ray diffraction. The gallium(III) and indium(III) complexes were prepared using (pydaH2)(pydc) (pyda = 2,6‐pyridinediamine, pydcH2 = dipicolinic acid) and thallium(III) complex was obtained from (creatH)(pydcH) (creat = creatinine). The chemical formulae and space groups of the complexes are (pydaH)[Ga(pydc)2] · 3.25H2O · CH3OH, $P{\bar 1}$ (1), [In(pydc)(pydcH)(H2O)2] · 5H2O, Pna21 (2) and [Tl2(pydcH)3(pydc)(H2O)2], $P{\bar 1}$ (3). Non‐covalent interactions such as ion‐pairing, hydrogen bonding and π‐π stacking are discussed. The complexation reactions of pyda, pydc, and pyda + pydc with In3+ and Ga3+ ions in aqueous solution were investigated by potentiometric pH titrations, and the equilibrium constants for all major complexes formed are described.
A New Family of Binary Layered Compounds of Platinum with Alkali Metals (A = K, Rb, Cs)
Authors: Karpov Andrey , Jansen Martin 
Published: December 2005

AbstractBy reacting platinum with alkali metals (A = K, Rb, Cs) a new family of binary alkali metal platinides has been synthesized and characterized by chemical analysis, X‐ray powder diffraction, thermal analysis (DTA and DSC), and magnetic measurements. All three compounds exhibit similar XRD‐patterns with strong reflections that can be indexed on the basis of a rhombohedral crystal system (KxPt: a = 2.6462(1), c = 17.123(1); RbxPt: a = 2.6415(1) Å, c = 17.871(1) Å; CsxPt: a = 2.6505(1) Å, c = 18.536(1) Å; x < ½. The a lattice constant is independent on the alkali metal used and of value close to the Pt–Pt distance in NaPt2 (2.645Å). The c parameter increases monotonically with the growing atomic radius of the alkali metal. The average structure of the alloys consists of cubic close packed layers of platinum atoms with layers of disordered alkali metals in between. For all compounds besides the strong reflections small satellites are observed which cannot be indexed together with the rhombohedral peaks in any rational 3‐dimensional lattice. However, these satellites can be indexed as incommensurate modulations within the ab plane (found propagation vectors k = (0.1011, 0.2506, 0) for CsxPt, and k = (0.0168, 0.2785, 0) for RbxPt).
The Molecular Structure of the 1:1 Adduct of Silver Cyanide with Tri(1‐cyclohepta‐2,4,6‐trienyl)phosphane, Ag(CN)[P(C7H7)3]
Authors: Herberhold Max , Milius Wolfgang , Akkus Nilgün 
Published: December 2005

AbstractThe complex Ag(CN)[P(C7H7)3] is the first (and so far only) mononuclear 1:1 derivative of AgCN with a tertiary phosphane ligand.
Ortho‐Chalcogenotetrelate Anions as Chelating Ligands: Syntheses and Characterization of [K6(MeOH)9][Sn2Se6][Cr(en)2(SnSe4)]2, [Na(H2O)4][Cr(en)3]2[GeS3OH]2[Cr(en)2(GeS4)], and [Ba(H2O)10][{Cr(en)}2(GeSe4)2]
Authors: Melullis Maike , Brandmayer Michael K. , Dehnen Stefanie 
Published: December 2005

AbstractReactions of K4[SnSe4], Na4[GeS4] or Ba2[GeSe4] with different 1,2‐diaminoethane (= en) coordinated complexes of CrCl3 ([Cr(en)2Cl2]Cl or [Cr(en)3]Cl3) in MeOH or aqueous solution yielded three novel compounds that contain complexes of Cr3+ with ortho‐chalcogenotetrelate anions [E′E4]4− (E′ = Ge, Sn; E = S; Se): the crystal structures of [K6(MeOH)9][Sn2Se6][Cr(en)2(SnSe4)]2 (1), [Na(H2O)4][Cr(en)3]2[GeS3OH]2[Cr(en)2(GeS4)] (2), and [Ba(H2O)10][{Cr(en)}2(GeSe4)2] (4) have been determined by means of single crystal X‐ray diffraction (1: triclinic space group $P{\bar 1}$; lattice dimensions at 203 K: a = 1175.7(2), b = 1315.3(3), c = 1326.7(3) pm, α = 61.99(3)°, β = 64.05(3)°, γ = 83.57(3)°, V = 1617.4(6)·106 pm3; R1 [I > 2σ(I)] = 0.0788; wR2 = 0.1306; 2: monoclinic space group C2/c; lattice dimensions at 203 K: a = 2445.3(5), b = 1442.5(3), c = 1579.3(3) pm, β = 94.61(3)°, V = 5552.9(19)·106 pm3; R1 [I > 2σ(I)] = 0.0801; wR2 = 0.2046; 4: triclinic space group $P{\bar 1}$; lattice dimension at 203 K: a = 1198.4(2), b = 1236.8(3), c = 1297.5(3) pm, α = 65.69(3)°, β = 63.35(3)°, γ = 81.21(3)°, V = 1565.2(5)·106 pm3; R1 [I > 2σ(I)] = 0.0732; wR2 = 0.1855). 1 and 2 show the yet unprecedented complexation of transition metal ions by non‐bridging, single chalcogenotetrelate ligands to produce dinuclear, heterobimetallic complexes. Compound 2 contains the first structurally characterized complex with an ortho‐thiogermanate ligand. The formation of these compounds, and of a by‐product of 2, [Cr(en)3][GeS3OH]·6H2O (3: monoclinic space group C2/c; lattice dimensions at 203 K: a = 2396.8(5), b = 1463.4(3), c = 1740.1(4) pm, β = 132.99(3)°, V = 4463.8(15)·106 pm3; R1 [I > 2σ(I)] = 0.0462; wR2 = 0.1058), provides some insight in fundamental differences between the reaction behavior of [SnE4]4− anions one the one hand and [GeE4]4− anions on the other hand. The crucial role of the counterion charge becomes evident when comparing the structure motifs of the ternary anions in 1 and 2 with that observed in the Ba2+ compound 4.
High‐Pressure Synthesis and Physical Properties of the Europium‐Substituted Barium Clathrate Ba8−xEuxGe43□3 (x ≤ 0.6)
Authors: Demchyna R. , Köhler U. , Prots Yu. , Schnelle W. , Baenitz M. , Burkhardt U. , Paschen S. , Schwarz Ulrich 
Published: December 2005

AbstractThe new clathrate Ba8–xEuxGe43□3 (x = 0.6) was synthesized at a pressure of 1 GPa and temperatures of up to 1220 K by means of a multi‐anvil device (Walker module) and a hydraulic 1000 ton press. X‐ray powder diffraction data indicate that the crystal structure of Ba8–xEuxGe43□3 (x = 0.6, space group $Ia{\bar 3}d$, a = 21.2588(3) Å) corresponds to that of Ba8Ge43□3. Measurements of the magnetic susceptibility of Ba8–xEuxGe43□3 reveal Curie‐paramagnetic behaviour and prove that the electronic state of europium corresponds to 4f7, i.e., Eu2+. Electrical resistivity shows a metal‐like temperature dependence and ρ(300) ≈ 2mΩ cm for x = 0.6. Heat capacity measurements reveal an upturn of cp/T(T) below 7 K that is attributed to magnetic interaction of the europium ions.
The Helical Coordination Polymer Ag(Nic)2(NO3)
Authors: Meyer Gerd , Berners Alexandra , Pantenburg Ingo 
Published: December 2005

AbstractSingle crystals of Ag(Nic)2(NO3) were obtained from an aqueous solution of silver nitrate and nicotine as plate‐like colourless crystals. The crystal structure (monoclinic, P21, Z = 2, a = 933.3(2), b = 1136.8(2), c = 1024.3(2) pm, β = 94.49(2)°) consists of helical chains in which one nicotine molecule bridges with both the pyridine‐N and the pyrrol‐N coordinating and with a second nicotine molecule terminally coordinating with the pyridine‐N. A monodentate nitrate‐O is completing the coordination sphere of Ag+ to a distorted tetrahedron. Ag–N distances (229‐240 pm) attest for a rather strong attraction of the nicotine molecules to Ag(I) and thereby constitute essentially a one‐dimensional, helical coordination polymer according to the formulation Ag(Nic1)2/2(Nic2)1/1(NO3)1/1.
The Role of Substitutional Defects in Order/Disorder Phenomena of OH− Ions in Hydroxyapatite
Authors: Zahn Dirk , Hochrein Oliver 
Published: December 2005

AbstractWe report on density functional quantum mechanical calculations of hydroxyapatite. The central focus is dedicated to the local arrangement of hydroxide ions in proximity of defects originating from substituting OH− by F− or O2− ions. At ambient conditions the preferred structure of bulk hydroxyapatite exhibits an ordering of OH− ions oriented in rows along the [001] direction. From zero Kelvin geometry optimizations the orientation inversion of a hydroxide ion was found to be disfavored by 0.165 eV. This picture changes dramatically when replacing one of the OH− ions by a fluoride ion. The preferred hydroxide ion arrangement next to the F− defect was identified as an OH−··F−··HO− constellation, which implies the orientation inversion of one of the neighboring hydroxide ions. An analogous phenomenon was observed for O2− defects.
Survival prediction of diffuse large-B-cell lymphoma based on both clinical and gene expression information
Authors: Li Lexin 
Published: December 2005

Abstract
Motivation: It is important to predict the outcome of patients with diffuse large-B-cell lymphoma after chemotherapy, since the survival rate after treatment of this common lymphoma disease is &lt;50%. Both clinically based outcome predictors and the gene expression-based molecular factors have been proposed independently in disease prognosis. However combining the high-dimensional genomic data and the clinically relevant information to predict disease outcome is challenging.
Results: We describe an integrated clinicogenomic modeling approach that combines gene expression profiles and the clinically based International Prognostic Index (IPI) for personalized prediction in disease outcome. Dimension reduction methods are proposed to produce linear combinations of gene expressions, while taking into account clinical IPI information. The extracted summary measures capture all the regression information of the censored survival phenotype given both genomic and clinical data, and are employed as covariates in the subsequent survival model formulation. A case study of diffuse large-B-cell lymphoma data, as well as Monte Carlo simulations, both demonstrate that the proposed integrative modeling improves the prediction accuracy, delivering predictions more accurate than those achieved by using either clinical data or molecular predictors alone.
Availability: R programs are available at
Contact: li@stat.ncsu.edu
Supplementary information: Supplementary data are available at
Differential expression of S100A2 and S100A4 in lung adenocarcinomas: Clinicopathological significance, relationship to p53 and identification of their target genes
Authors: Matsubara Daisuke , Niki Toshiro , Ishikawa Shumpei , Goto Akiteru , Ohara Etsuko , Yokomizo Takehiko , Heizmann Claus W. , Aburatani Hiroyuki , Moriyama Sachiko , Moriyama Hirokazu , Nishimura Yoshihiro , Funata Nobuaki , Fukayama Masashi 
Published: December 2005

Previous studies suggest that some S100 proteins are involved in the progression of certain types of cancer. However, no comprehensive data is currently available on the expression of S100 family genes in lung adenocarcinomas. Oligonucleotide array, quantitative reverse transcription–polymerase chain reaction and western blot analyses of lung adenocarcinoma cell lines and bronchiolar epithelial cells (SAEC and NHBE) revealed that S100A2 and S100A4 were the most strikingly downregulated and upregulated members of the S100 family, respectively. Immunohistochemical analyses of 94 primary lung adenocarcinomas showed that positive S100A2 expression (33/94, 35.1%) was significantly associated with lymphatic invasion (P = 0.0233) and positive S100A4 expression (19/94, 20.2%) with vascular invasion (P = 0.0454). Interestingly, a strong inverse relationship was found between S100A4 and p53 expression (P = 0.0008). Survival analyses showed that S100A4 positivity was associated with poor patient prognosis (P = 0.042). S100A2 positivity was not associated with patient survival when the whole patient group was analyzed; however, S100A2 positivity was a favorable prognostic indicator in patients with p53‐negative tumors (P = 0.0448). Finally, we used oligonucleotide array analyses and identified potential S100A2 and S100A4 target genes involved in cancer progression: S100A2 induced RUNX3 and REPRIMO; S100A4 induced EZRIN, RUNX1 and WISP1; S100A2 repressed EGFR, NFKB2 and RELA2; and S100A4 repressed ANXA10 and IL1RN. Thus, the present study demonstrates involvement of S100A2 and S100A4 in the progression of lung adenocarcinomas and an inverse association between S100A4 and p53 expression, and provides a list of targets regulated by S100A2 and S100A4. (Cancer Sci 2005; 96: 844–857)
Helicobacter pylori infection appears essential for stomach carcinogenesis: Observations in Semarang, Indonesia
Authors: Tokudome Shinkan , Samsuria Witjitra D. , Soeripto  , Triningsih F. X. Ediati , Suzuki Sadao , Hosono Akihiro , Triono Teguh , Wijaya Indra , Sarjadi  , Miranti Ika P. , Ghadimi Reza , Moore Malcolm A. 
Published: December 2005

The gastric cancer incidence in Semarang, Indonesia, is exceedingly low: only approximately 1/100th of the level in Japan. To elucidate the reason, we carried out an ecological study recruiting 69 male and 102 female participants from the general populace in January 2005. Positive urea breath tests were 0% for both men and women, and Helicobacter pylori (H. pylori) IgG antibodies were found in 2% (0–5, 95% confidence interval) of men and 2% (0–4) of women, significantly lower than the 62% (58–65) and 57% (53–60), respectively, in Japan. Furthermore, there were no positive findings with the pepsinogen tests in Semarang, again significant in comparison with the 23% (22–25) and 22% (20–23) in Japan. Variation in smoking levels and consumption of NaCl, vegetables and fruit were found, but not to an extent that would allow explanation of the major differences in gastric cancer incidence. We may conclude that the very low prevalence of H. pylori infection and thus chronic atrophic gastritis account for the rarity of stomach cancer in Semarang, Indonesia. (Cancer Sci 2005; 96: 873–875)