bluuebunny/crossref_metadata_2025_split huggingface dataset:
Theoretical Investigation on Electronic Transition of Tris(8‐quinolinolate) Aluminum Grafted on Poly(p‐phenylenevinylene) Units with the Localized‐density‐matrix Method
Authors: Sun Gang , Zhang Min , Yang Guochun , Zhao Liang , Fu Qiang , Su Zhongmin 
Published: October 2009

AbstractAn unsystematic molecule PPV‐Alq3 [3‐(4‐((E)‐2‐(8‐hydroxy‐3‐(4‐styrylstyryl)quinolin‐Alq2‐6‐yl)vinyl)‐ styryl)‐6‐(4‐styrylstyryl)quinolin‐8‐olate‐Alq2; q=8‐quinolinolate], which combines poly(p‐phenylenevinylene) with tris(8‐quinolinolate)aluminum, has been studied using a localized‐density‐matrix method. The absorption spectra and electronic transition properties were analyzed and compared with both intermediate neglect of the differential overlap method and the localized‐density‐matrix method. Great efforts have been made on investigating conjugated system on the absorption properties as these can be particularly important for many applications. Two different absorptions of the special molecule, tris(8‐quinolinolate)aluminum grafted on poly(p‐phenylenevinylene) units, were further discussed with density matrices. For the molecule, the first absorption peak is at 413 nm near the purple light. Two 8‐hydroxyquinolines have very slight electronic transition properties. Another absorption peak is at 237 nm. The second characteristic peak of molecule is completely different from that of the first one, which comes from contribution of 8‐hyroxyquinolines in the two different side chains. Our studies show that electronic transition properties of poly(p‐phenylenevinylene) can be effectively tuned by grafting tris(8‐quinolinolate)‐aluminum on poly(p‐phenylenevinylene) from the standpoint of transition energies, frontier molecular orbitals and density matrices.
Excited State Intramolecular Proton Transfer in Methyl and Methoxy Substituted Salicylic Acid
Authors: Suban Kumar Sahoo , Rati Kanta Bera , Bikram Kishore Kanungo , Minati Baral 
Published: October 2009

AbstractThe excited state intramolecular proton transfer (ESIPT) processes in 3‐methylsalicyclic acid (3‐MeSA) and 3‐methoxysalicyclic acid (3‐MeOSA) have been investigated in cyclohexane medium by emission spectroscopic techniques. The ESIPT process was characterized in 3‐MeSA from the large Stokes fluorescent band (455 nm), but it was suppressed by 3‐MeOSA in cyclohexane. The ESIPT process was found to be accelerated both in 3‐MeSA and 3‐MeOSA in the presence of a hydrogen bond accepting agent, triethylamine (TEA). Further, theoretical calculations were carried out at the ground and excited states to complement the experimental evidences.
One‐pot Synthesis of 1,8‐Dioxo‐decahydroacridine Derivatives in Aqueous Media
Authors: Balalaie Saeed , Chadegani Fatemeh , Darviche Fatemeh , Bijanzadeh Hamid Reza 
Published: October 2009

AbstractA new and efficient method for the synthesis of 1,8‐dioxo‐9‐aryl‐decahydroacridine derivatives was developed via a one‐pot three component reaction of dimedone, aromatic aldehydes and ammonium acetate in the presence of ammonium chloride, or Zn(OAc)2·2H2O or L‐proline separately in water in the short period of time and high yields.
A Facile Synthesis of N‐Aryl Substituted Piperidones
Authors: Geng Qian , Zhang Hui , Cao Weiguo , Chen Yali 
Published: October 2009

AbstractA general and efficient procedure for the synthesis of N‐aryl‐substituted 4‐piperidones was developed. The two step syntheses proceeded with an overall yield of 60%‐83% using L‐proline as the ligand for the Cu(I)‐catalyzed Ullmann amination followed by subsequent hydrolysis of resulting ketals.
Enantioselective Alkynylzinc Addition to Carbonyl Compounds by Tf‐based Sulfamide‐amine Alcohol Catalysis
Authors: Li Hongwang , Li Xincheng , Xue Feng , Huang Yongbo , Jin Wei , Wan Boshun 
Published: October 2009

AbstractThe new Tf‐based sulfamide‐amine alcohol 3a was found to be very effective in catalyzing the enantioselective alkynylzinc addition to both aromatic aldehydes and unactivated aromatic ketones without using another metal species under mild condition, providing up to 92% ee and 90% ee for aldehydes and ketones, respectively.
Stereoselective Synthesis of Tetrahydropyran D‐Ring of Methyl Sartortuoate
Authors: Yao Hequan , Gao Yuan , Liu Peng , Xu Xingxiang 
Published: October 2009

AbstractA stereoselective synthesis of functionalized tetrahydropyran D‐ring of methyl sartortuoate (1) was achieved starting from geraniol in a high yield. Sharpless asymmetric kinetic resolution, asymmetric dihydroxylation as well as asymmetric epoxidation were applied as key steps to establish all the four stereocenters of the D‐ring.
High‐performance Liquid Chromatography Study of the Nitration Course of Tetrabutoxycalix[4]arene at the Upper Rim: Determination of the Optimum Conditions for the Preparation of 5,11,17‐Trinitro‐25,26,27,28‐tetrabutoxycalix[4]arene
Authors: Li Zhengyi , Ma Jiejie , Chen Jiawen , Pan Yi , Qiang Juli , Wang Leyong 
Published: October 2009

AbstractA selective nitration of calix[4]arene at the upper rim in one pot process was described by monitoring the time dependence of the distribution of products by high‐performance liquid chromatography (HPLC). The discrimination of five nitrated products was accomplished by molecular symmetry considerations and 1H NMR analysis. As a result, unusual 5,11,17‐trinitrocalix[4]arene (2d) was obtained in 57% isolated yield. 5,11‐Dinitro‐calix[4]arene (2b) and 5,11,17‐trinitrocalix[4]arene (2d) with tetranitrocalix[4]arene 2e were further characterized by crystal X‐ray diffraction analysis. Furthermore, as an example of potential application, trinitrocalix[4]arene 2d could be converted to triaminocalix[4]arene 3d conveniently.
Lanthanide Amide‐catalyzed Aza‐Henry Reaction of N‐Tosyl Imines with Nitroalkanes
Authors: Zhang Lijun , Wu Hongping , Su Shunpeng , Wang Shaowu 
Published: October 2009

AbstractIn the presence of 10 mol% lanthanide amide [(Me3Si)2N]3Ln(µ‐Cl)Li(THF)3, the aza‐Henry reaction of N‐tosyl imines with nitroalkanes (1:5 molar ratio) could be performed in good yields. The lanthanide amide‐catalyzed aza‐Henry reaction has the features of mild reaction conditions, tolerance of a variety of aromatic aldehyde‐derived imines and nitroalkanes, short time and good chemical yields. A catalytic mechanism for the reaction was also proposed.
Synthesis and Characterization of Poly(chiral methylpropargyl ester)s Carrying Azobenzene Moieties
Authors: Jiang Feng , Qu Jinqing , Chen Huanqin 
Published: October 2009

AbstractNovel chiral methylpropargyl esters bearing azobenzene groups, namely, 4‐[4′‐(benzyloxy)phenylazophenyl]‐ carbonyl‐(S)‐1‐methylpropargyl ester (e), 4‐[4′‐(n‐butyloxy)phenylazophenyl]carbonyl‐(S)‐1‐methylpropargyl ester (f), 4‐[4′‐(n‐hexyloxy)phenylazophenyl]carbonyl‐(S)‐1‐methylpropargyl ester (g), and 4‐[4′‐(n‐octyloxy)phenylazo‐ phenyl]carbonyl‐(S)‐1‐methylpropargyl ester (h) were synthesized and polymerized with Rh+(nbd)[η6‐C6H5B−‐ (C6H5)3] (nbd=norbornadiene) catalyst to give the corresponding polymers with moderate molecular weights (Mn=8.4×103–15.7×103) in good yields (76%? –?91%). The structures of polymers were illustrated by IR and NMR spectroscopies. Polymers were soluble in comment organic solvents including toluene, CHCl3 CH2Cl2, THF, and DMSO, while insoluble in diethyl ether, n‐hexane and methanol. Large optical rotations of polymer solutions demonstrated that all the polymers take a helical structure with a predominantly one‐handed screw sense in organic solvents.
A Simple Method for Controlling the Degree of PEGylation of Dynorphin A (1–13)
Authors: Wang Xiufang , Tian Yong , Zhong Guoying , Chen Guanke 
Published: October 2009

AbstractDynorphin A (1–13) was chemically modified by reaction with succinimidyl propionate‐monomethoxy polyethylene glycol (mPEG‐SPA). To determine the degree and the optimized condition for PEGylation of dynorphin A, the reactions were monitored in different pH buffers at different molar ratios by reversed‐phase high performance liquid chromatography (RP‐HPLC) and matrix‐assisted laser desorption/ionization time‐of‐?ight mass spectrometry (MALDI‐TOF MS). The results showed that the degree of PEGylation for dynorphin A could easily be controlled through adjustment of the molar ratios and the pH. The degree of PEGylation of dynorphin A increased as the molar ratio of dynorphin to MPEG‐SPA and the pH increased.
Progress in Scanning Electrochemical Microscopy by Coupling with Electrochemical Impedance and Quartz Crystal Microbalance
Authors: Keddam Michel , Portail Nicolas , Trinh Dao , Vivier Vincent 
Published: October 2009

AbstractScanning electrochemical microscopy (SECM) is a powerful technique for performing quantitative measurements at a local scale. This paper covers the development of combinations of SECM with electrochemical impedance spectroscopy (EIS) and electrochemical quartz crystal microbalance (EQCM). Basic aspects are described and potential applications reported by several research groups are covered. The unique advantages of the coupled techniques—with additional information being obtained from each coupling—are also discussed.
Bandgap characters in GaAs‐based ternary alloys
Authors: Tit N. , Amrane N. , Reshak A. H. 
Published: October 2009

AbstractThe existence and origins of the bowing character in the bandgap variation of GaAs‐based ternary alloys are theoretically investigated based on two different computational methods. Within the framework of the virtual crystal approximation (VCA), both the empirical sp3s * tight‐binding (TB) method with, and without, the inclusion of the spin‐orbit coupling effects, and the first‐principle full‐potential linear augmented plane wave (FP‐LAPW) technique are applied on both the common‐cation GaSbxAs1‐x and the common‐anion Ga1‐xInxAs alloys. These methods are used to calculate the bandgap energy, the partial and total densities of states and the constituent charge ionicity versus the composition x. The results show that the bowing behavior exists in the case of common‐cation alloys (GaSbxAs1‐x) as a manifestation of a competition between the anion atoms (As and Sb) in trapping the made‐available‐cationic charges. The bowing parameter is found to be proportional to the electronegativity characters of the competing anions (χanion). Consistent with this in the case of common‐anion alloys (Ga1‐xInxAs), as due to the lack of anion competition, the bowing is just absent and the variation of bandgap energy is found to be rather linear. The excellent agreement between our theoretical results and recent photoluminescence data has corroborated our claim. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Spontaneous precipitation of calcium silicate hydrate in aqueous solutions
Authors: Ntafalias E. , Koutsoukos P. G. 
Published: October 2009

AbstractCalcium silicate hydrates (C‐S‐H) are very important not only for their contribution to the development of cement and concrete properties but also for use as fillers and in silicate glasses. In the present work, the thermodynamics and the kinetics of the spontaneous precipitation of C‐S‐H from aqueous solutions were investigated over the pH range 10‐12 at 25 °C. The thermodynamic driving force was calculated taking into consideration all equilibria involved in the supersaturated solutions. In the range of the solution supersaturation values examined the precipitation occurred spontaneously, with the exception of the series of experiments done at pH 12.0, where induction times preceded the appearance of the precipitate. The rates were measured at constant pH as a function of the solution supersaturation and were found to depend strongly on the solution supersaturation, pH and on the total calcium to total silicate molar ratio in solution. Fit of the kinetics results in a power law relating rates of precipitation with respect to C‐S‐H precipitated, suggested a surface diffusion controlled mechanism for the formation of C‐S‐H. The precipitated solids did not show significant morphological differences at different pH values. From the induction times preceding the spontaneous precipitation at pH 12.0, a value of 30 mJm‐2 was calculated for the surface energy of C‐S‐H. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Electric field mediated switching of mechanical properties of strontium titanate at room temperature
Authors: Stöcker H. , Zschornak M. , Leisegang T. , Shakhverdova I. , Gemming S. , Meyer D. C. 
Published: October 2009

AbstractIn situ application of an electric field to a SrTiO3 single crystal plate during nanoindentation led to a reversible change of the mechanical properties at room temperature. When a field of 8 kV/cm was applied, Meyer hardness and Young's modulus decreased by 0.6 GPa and 11 GPa, respectively. An explanation for this behaviour is given by the diffusion of oxygen vacancies resulting in a distortion of the perovskite‐type of structure in the near‐surface layer tested by nanoindentation. Simulations using density functional theory support the dependence of elasticity on the presence of vacancies. Thus, we can show the remarkable influence of electric fields on oxide materials which should be considered and used in designing future applications. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Cyclic Nrarp mRNA expression is regulated by the somitic oscillator but Nrarp protein levels do not oscillate
Authors: Wright David , Ferjentsik Zoltan , Chong Shang‐Wei , Qiu Xuehui , Jiang Yun‐Jin , Malapert Pascale , Pourquié Olivier , Van Hateren Nick , Wilson Stuart A. , Franco Claudio , Gerhardt Holger , Dale J. Kim , Maroto Miguel 
Published: October 2009

AbstractSomites are formed progressively from the presomitic mesoderm (PSM) in a highly regulated process according to a strict periodicity driven by an oscillatory mechanism. The Notch and Wnt pathways are key components in the regulation of this somitic oscillator and data from Xenopus and zebrafish embryos indicate that the Notch‐downstream target Nrarp participates in the regulation of both activities. We have analyzed Nrarp/nrarp‐a expression in the PSM of chick, mouse and zebrafish embryos, and we show that it cycles in synchrony with other Notch regulated cyclic genes. In the mouse its transcription is both Wnt‐ and Notch‐dependent, whereas in the chick and fish embryo it is simply Notch‐dependent. Despite oscillating mRNA levels, Nrarp protein does not oscillate in the PSM. Finally, neither gain nor loss of Nrarp function interferes with the normal expression of Notch‐related cyclic genes. Developmental Dynamics 238:3043–3055, 2009. © 2009 Wiley‐Liss, Inc.
An estrogen receptor alpha activity indicator model in mice
Authors: Han Sang Jun , O'Malley Bert W. , DeMayo Francesco J. 
Published: October 2009

AbstractEstrogen receptor alpha (ERα), plays essential roles in the female reproduction. To investigate the dynamic changes in ERα activity in vivo, we have developed an ER Alpha Activity Indicator (ERAAI) mouse. This ERAAI mouse harbors both a modified ERα Bacterial Artificial Chromosome (BAC) clone and a reporter gene which is regulated specifically by the modified receptor. The ERα modification (Gal4‐ERα) consists replacing the DNA binding domain (DBD) of ERα with the DBD of yeast Gal4 transcription factor. This reporter transgene consisting of a humanized renilla Green Fluorescent Protein (hrGFP) sequence controlled by the Upstream Activating Sequences for the Gal4 gene (UASG) was inserted into the modified ERα BAC clone. Expression of Gal4‐ERα and hrGFP reliably recapitulates endogenous ERα expression and activity in the estrogen target tissues in response to estrogen stimulation. Therefore, the ERAAI mouse represents a novel animal model to investigate dynamic ERα activity in vivo. genesis 47:815–824, 2009. © 2009 Wiley‐Liss, Inc.
Cover Picture: Eur. J. Immunol. 11/09
Authors: Jevnikar Zala , Obermajer Nataša , Pečar‐Fonović Urša , Karaoglanovic‐Carmona Adriana , Kos Janko 
Published: October 2009

AbstractThis issue's cover features a composite of images showing that cathepsin X promotes co‐localization of LFA‐1 and α‐actinin‐1 and are taken from Jevnikar et al. (pp. 3217–3227). In this article, the authors show that cleavage of the three C‐terminal amino acids of the β2 cytoplasmic tail of LFA‐1 by cathepsin X promotes binding of α‐actinin‐1 to LFA‐1; cathepsin X also enables LFA‐1 to transition from its high to intermediate affinity form for ICAM‐1. Together, the findings further our understanding of the mechanisms of T‐cell migration.
Dimeric Nickel(II) Containing Tungstogermanate [{β‐GeNi2W10O36(OH)2(H2O)}2]12–
Authors: Nsouli Nadeen H. , Prinz Manuel , Damnik Niklas , Neumann Manfred , Talik Ewa , Kortz Ulrich 
Published: October 2009

AbstractInteraction of the dilacunary polyanion precursor[γ‐GeW10O36]8– with Ni2+ ions in aqueous medium (pH 5.5) resulted in the formation of the dimeric, tetranickel(II)‐containing 20‐tungsto‐2‐germanate [{β‐GeNi2W10O36(OH)2(H2O)}2]12– (1). Polyanion 1 is composed of two lacunary (β‐GeW10O37) units accommodating two Ni2+ ions each and linked through two triply bridging OH groups. Single‐crystal X‐ray analysis was carried out on K10Ni[{β‐GeNi2W10O36(OH)2(H2O)}2]·28H2O (KNi‐1), which crystallizes in the triclinic system. The title compound KNi‐1 was characterized by IR spectroscopy, elemental analysis, single‐crystal XRD, thermogravimetric analysis, and X‐ray photoelectron spectroscopy. Magnetization measurements on KNi‐1 revealed that the title polyanion 1 exhibits an antiferromagnetically coupled Ni4 core. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Seismic collapse risk of precast industrial buildings with strong connections
Authors: Kramar Miha , Isaković Tatjana , Fischinger Matej 
Published: October 2009

AbstractA systematic seismic risk study has been performed on some typical precast industrial buildings that consists of assemblages of cantilever columns with high shear‐span ratios connected to an essentially rigid roof system with strong pinned connections. These buildings were designed according to the requirements of Eurocode 8. The numerical models and procedures were modified in order to address the particular characteristics of the analyzed system. They were also verified by pseudo‐dynamic and cyclic tests of full‐scale large buildings. The intensity measure (IM)‐based solution strategy described in the PEER methodology was used to estimate the seismic collapse risk in terms of peak ground acceleration capacity and the probability of exceeding the global collapse limit state. The effect of the uncertainty in the model parameters on the dispersion of collapse capacity was investigated in depth. Reasonable seismic safety (as proposed by the Joint Committee on Structural Safety) was demonstrated for all the regular single‐storey precast industrial buildings addressed in this study. However, if the flexural strength required by EC8 was exactly matched, and the additional strength, which results from minimum longitudinal reinforcement, was disregarded as well as large dispersion in records was considered, the seismic risk might in some cases exceed the acceptable limits. Copyright © 2009 John Wiley & Sons, Ltd.
Display panel design of a general utility helicopter by applying quantitative and qualitative approaches
Authors: Şenol Mehmet Burak , Dağdeviren Metin , Çilingir Canan , Kurt Mustafa 
Published: October 2009

AbstractThe flight deck is the ultimate human–machine interface application. It uses human senses of touch and sight in a safety‐critical situation. Display systems, present on a flight deck, are complex environments causing excessive mental workload, and the consequences of errors can be catastrophic. To prevent any human error, a user‐friendly display panel must be designed. In this research the best natural dialog between the crew and interface is considered while reflecting user perspective to design by applying quantitative and qualitative approaches; in this way, proper positions of analogue indicators on the front of the display panel are determined. Multi‐Criteria Decision Making algorithms are employed as a quantitative approach. To test whether the decision‐making preferences are consistent with a quasi‐concave, a quasi‐convex, and a linear utility function, a combined algorithm is applied. Due to the form of utility function, an algorithm finding the most preferred alternative of decision making is used. The aim of this approach is to find an order in which to locate each indicator to suitable classes. Card‐Sorting methodology is used for the qualitative research of the same problem. Results of two different approaches are compared. © 2009 Wiley Periodicals, Inc.
The oral cancer epidemic in central and eastern Europe
Authors: Garavello Werner , Bertuccio Paola , Levi Fabio , Lucchini Franca , Bosetti Cristina , Malvezzi Matteo , Negri Eva , La Vecchia Carlo 
Published: October 2009

AbstractTo monitor recent trends in oral and pharyngeal cancer mortality in 38 European countries, we analyzed data provided by the World Health Organization over the period 1975–2004. Joinpoint analysis was used to identify significant changes in trends. In the European Union (EU), male mortality rates rose by 2.1% per year between 1975 and 1984, by 1.0% between 1984 and 1993, and declined by 1.3% between 1993 and 2004, to reach an overall age‐standardized rate of 6.1/100,000 in 2000–2004. Mortality rates were much lower in women, and the rate in the EU rose by 0.9% per year up to 2000, and levelled off to 1.1/100,000 in 2000–2004. In France and Italy—which had the highest rates in the past—male rates have steadily declined during the last two decades (annual percent change, APC = −4.8% in 1998–2004 in France and −2.6% in 1986–2003 in Italy). Persisting rises were, however, observed in several central and eastern European countries, with exceedingly high rates in Hungary (21.1/100,000; APC = 6.9% in 1975–1993 and 1.4% in 1993–2004) and Slovakia (16.9/100,000; APC = 0.14% in 1992–2004). In middle aged (35 to 64) men, oral and pharyngeal cancer mortality rates in Hungary (55.3/100,000) and Slovakia (40.8/100,000) were comparable to lung cancer rates in several major European countries. The highest rates for women were in Hungary (3.3/100,000; APC = 4.7% in 1975–2004) and Denmark (1.6/100,000; APC = 1.3% in 1975–2001). Oral and pharyngeal cancer mortality essentially reflects the different patterns in tobacco smoking and alcohol drinking, including drinking patterns and type of alcohol in central Europe.
Premature mortality due to cancer in Japan, 1995 and 2005
Authors: Pham Truong‐Minh , Fujino Yoshihisa , Matsuda Shinya , Yoshimura Takesumi 
Published: October 2009

AbstractTo better understand premature mortality due to cancer, we estimated years of life lost (YLL) and average years of life lost (AYLL) due to cancer for the years 1995 and 2005, based on data from the Vital Statistic of Japan. In men, we identified a total of 159,623 cancer deaths in 1995 and 196,603 in 2005. Total YLL were 2,342,560.4 and 2,724,066.0 years, respectively. Averaged for all cancers, people died 14.7 years earlier than life expectancy in 1995 and 13.9 years in 2005. AYLL was longest for brain cancer deaths, at 26.3 years earlier than expected in 1995 and 22.8 years in 2005, followed by leukemia. In women, a total of 103,399 cancer deaths occurred in 1995 and 129,338 in 2005. Total YLL were 1,818,960.4 years in 1995 and 2,160,706.5 years in 2005, corresponding to AYLL for all cancer combined of 17.6 and 16.7 years. The AYLL of brain cancer deaths was also the longest, at 29.4 years in 1995 and 27.8 in 2005, followed by leukemia and female sex‐related cancers. Results showed that cancer of the stomach, colorectum, liver and lung were the most frequent cancers in both sexes in both 1995 and 2005 and responsible for a remarkable number of YLL. Further, AYLL was greatest for brain cancer and leukemia in both sexes and for sex‐related cancers in women, namely breast, cervix and ovarian cancer.