bluuebunny/crossref_metadata_2025_split huggingface dataset:
Postnatal ontogeny of tibia and femur form in two human populations: A multivariate morphometric analysis
Authors: Frelat Mélanie A. , Mittereocker Philipp 
Published: September 2011

AbstractObjectives:Adult population differences in relative and absolute limb size often are explained as adaptations to different climates. Less is known about other aspects of limb bone form and their population‐specific growth patterns.Methods:We study postnatal ontogenetic development of tibial and femoral form by a multivariate morphometric approach in a cross‐sectional sample of South African (N = 97) and European (N = 81) modern humans from 0 to 20 years of age. Because the epiphyses ossify and fuse to the diaphysis in this time period, we separately analyze two sets of variables. Average ontogenetic trajectories are computed to compare the growth patterns of the African and the European groups.Results:For both the tibia and the femur, we could show that Africans and Europeans have a very similar average length and average shape until about 10 years of age. During adolescence Africans have a higher growth rate leading to longer adult bones with narrower epiphyses relative to the diaphysis. Despite substantial individual overlap, the average crural index is higher in Africans than in Europeans, from birth on through adulthood.Conclusions:The prenatal origin of population differences in the crural index indicates a genetic determination of these differences whereas limb length and relative epiphyseal width likely are both genetically and environmentally determined. Am. J. Hum. Biol. 2011. © 2011 Wiley‐Liss, Inc.
Phenotype evaluation and genomewide linkage study of clinical variables in schizophrenia
Authors: Hamshere Marian L. , Holmans Peter A. , McCarthy Geraldine M. , Jones Lisa A. , Murphy Kieran C. , Sanders Robert D. , Gray Marion Y. , Zammit Stanley , Williams Nigel M. , Norton Nadine , Williams Hywel J. , McGuffin Peter , O'Donovan Michael C. , Craddock Nicholas , Owen Michael J. , Cardno Alastair G. 
Published: September 2011

AbstractGenetic factors are likely to influence clinical variation in schizophrenia, but it is unclear which variables are most suitable as phenotypes and which molecular genetic loci are involved. We evaluated clinical variable phenotypes and applied suitable phenotypes in genome‐wide covariate linkage analysis. We ascertained 170 affected relative pairs (168 sibling‐pairs and two avuncular pairs) with DSM‐IV schizophrenia or schizoaffective disorder from the United Kingdom. We defined psychotic symptom dimensions, age at onset (AAO), and illness course using the OPCRIT checklist. We evaluated phenotypes using within sibling‐pair correlations and applied suitable phenotypes in multipoint covariate linkage analysis based on 372 microsatellite markers at ∼10 cM intervals. The statistical significance of linkage results was assessed by simulation. The positive and disorganized symptom dimensions, AAO, and illness course qualified as suitable phenotypes. There were no genome‐wide significant linkage results. There was suggestive evidence of linkage for the positive dimension on chromosomes 2q32, 10q26, and 20q12; the disorganized dimension on 8p21 and 17q21; and illness course on 2q33 and 22q11. The linkage peak for disorganization on 17q21 remained suggestive after correction for multiple testing. To our knowledge, this is the first study to integrate phenotype evaluation and genome‐wide covariate linkage analysis for symptom dimensions and illness history variables in sibling‐pairs with schizophrenia. The significant within‐pair correlations strengthen the evidence that some clinical variables within schizophrenia are suitable phenotypes for molecular genetic investigations. At present there are no genome‐wide significant linkage results for these phenotypes, but a number of suggestive findings warrant further investigation. © 2011 Wiley Periodicals, Inc.
Not all lies are spontaneous: An examination of deception across different modes of communication
Authors: Whitty Monica T. , Buchanan Tom , Joinson Adam N. , Meredith Alex 
Published: September 2011

AbstractAn online diary study was performed to investigate deception across different media. One hundred and four individuals participated in the study, with 76 completing the diaries. Individuals were most likely to lie on the telephone. Planned lies, which participants also rated the most serious, were more likely told via SMS (short message service) text messaging. Most lies were told to people participants felt closest to. The feature‐based model provides a better account of the deceptions reported by participants than do media richness theory or social distance theory. However, the authors propose a reworked feature‐based model to explain deception across different media. They suggest that instant messaging should be treated as a near synchronous mode of communication. We suggest that the model needs to distinguish between spontaneous and planned lies.
Optimization of the Antioxidant Activity of Hydroxy‐Substituted 4‐Thiaflavanes: A Proof‐of‐Concept Study
Authors: Viglianisi Caterina , Bartolozzi Maria Grazia , Pedulli Gian Franco , Amorati Riccardo , Menichetti Stefano 
Published: September 2011

AbstractThe design and the synthesis of a new family of hydroxy‐4‐thiaflavanes, in which the reactive phenolic OH is ortho to the sulfur atom of the benzofused oxathiin ring, allowed to prepare antioxidants that show rate constants for the reaction with peroxyl radicals (kinh), and bond dissociation energies (BDE), of the ArOH group identical to those of α‐tocopherol, the main component of vitamin E and the most effective lipophilic antioxidant known in nature. The peculiar conformation of the six‐membered heterocyclic ring prevents the formation of an intramolecular hydrogen bond between the OH group and the S atom, while ensuring a good stabilization by electron donation of the phenoxyl radical formed after the reaction with peroxyl radicals. The preparation of these compounds was achieved through an inverse electron demand hetero Diels–Alder reaction of styrenes with o‐thioquinones, in turn prepared from accurately designed 1,3‐dihydroxy arenes. Properly arranging the substitution pattern on the aromatic ring, as in derivatives 9 and 11, allowed to reach values of kinh up to 4.0×106 M−1 s−1 and BDE(OH) of 77.2 kcal mol−1. This approach represents an innovative way to obtain highly active antioxidants without using strongly electron donating alkylamino groups which are associated with adverse toxicological profiles.
ChemInform Abstract: Multiwavelength Excited Novel Red‐Emitting Phosphor Eu3+‐Activated Li2Zn2(MoO4)3.
Authors: He Xianghong , Guan Mingyun , Zhang Chunyong , Shang Tongming , Lian Ning , Yao Yan 
Published: September 2011

AbstractLi2‐2xZn1.9+x (MoO4)3:0.05Eu3+,0.05Li+ (‐0.10 ≤ x ≤ 0.30) phosphors are synthesized by solid state reaction of stoichiometric mixtures of Li2CO3, ZnO, MoO3, and Eu2O3 (air, 600 °C, 2 h; calcination at 800 °C, 4 h).
ChemInform Abstract: Structural, Magnetic and Magnetocaloric Properties in Pr0.5M0.1Sr0.4MnO3 (M: Eu, Gd and Dy) Polycrystalline Manganites.
Authors: Moumen M. , Mehri A. , Cheikhrouhou‐Koubaa W. , Koubaa M. , Cheikhrouhou A. 
Published: September 2011

AbstractThe title compounds are prepared by the standard solid state reaction method at 1000 °C in air (60 h) followed by sintering at 1100 °C in air (60 h).
ChemInform Abstract: Overlapping Large Polaron Tunneling Conductivity and Giant Dielectric Constant in Ni0.5Zn0.5Fe1.5Cr0.5O4 Nanoparticles (NPs).
Authors: Tan Muhammed , Koeseoglu Yueksel , Alan Furkan , Sentuerk Erdogan 
Published: September 2011

AbstractThe title nanoparticles are hydrothermally prepared from stoichiometric mixtures of NiCl2, Cr2O3, ZnCl2, and FeCl3 in the presence of polyethylene glycol and NaOH (H2O, pH 11.5, 180 °C, autoclave, 24 h).
ChemInform Abstract: HIP Synthesis of η‐Carbide‐Type Nitrides Fe3W3N and Fe6W6N and Their Magnetic Properties.
Authors: Waki T. , et al. et al. 
Published: September 2011

AbstractThe title compounds are prepared by hot isostatic pressing of a mixture of powdered Fe and W in a high‐pressure vessel filled with nitrogen gas (200 MPa, 1500 °C, 1—2 h).
ChemInform Abstract: Single Crystal Investigations on ScB15 and Sc2Cu1‐xB45 — Two New Representatives of Boron‐Rich Borides Related to Tetragonal Boron II (t‐B192).
Authors: Pediaditakis Alexis , Haseloff Stefanie , Hillebrecht Harald 
Published: September 2011

AbstractSingle crystals of ScB15 are prepared from the elements in molten Ga (1600 °C, 40 h) and single crystals of Sc2Cu0.77B45 are obtained from the elements in a Cu/Sc melt (1800 °C, 40 h).
ChemInform Abstract: Synthesis, Structure, and Theoretical Investigations of an Alkaline Earth Vanadate Oxide Compound (Ca4V4O14): Electronic, Optical, and Chemical Bond Properties
Authors: Tong Yi‐Ping , Luo Guo‐Tian , Jin Zhen , Lin Yan‐Wen 
Published: September 2011

AbstractThe title compound is hydrothermally synthesized from an aqueous mixture of V2O5 and Ca(NO3)2 (autoclave, 250 °C, 7 d, 20% yield).
ChemInform Abstract: Enantioselective Copper‐Catalyzed 1,4‐Addition of Dialkylzincs to Enones Followed by Trapping with Allyl Iodide Derivatives.
Authors: Kawamura Kenjiro , Fukuzawa Hitomi , Hayashi Masahiko 
Published: September 2011

AbstractThe asymmetric 1,4‐addition of dimethylzinc and diethylzinc to enones (II) in the presence of Cu(O‐Tf)2 and chiral N,N,P‐ligands (I) proceeds with high enantioselectivities, whereas the addition of dibutylzinc leads to butylated ketones such as (IVc) with low enantioselectivity.
ChemInform Abstract: Synthesis and Stereochemical Behavior of (E)‐Cyclononene Derivatives.
Authors: Tomooka Katsuhiko , Inoue Hiroko , Igawa Kazunobu 
Published: September 2011

AbstractStarting from (E)‐5‐cyclononen‐1‐one (I) some compounds possessing planar chirality are prepared.
ChemInform Abstract: Tandem Oxidation/Bromination of Ethyl Aromatics to α,α‐Dibromoacetophenones with Molecular Oxygen under Visible Light Irradiation.
Authors: Tada Norihiro , Ban Kazunori , Ishigami Takafumi , Nobuta Tomoya , Miura Tsuyoshi , Itoh Akichika 
Published: September 2011

AbstractOptimized conditions allow the direct oxidation of ethylbenzenes.
ChemInform Abstract: [Pd(L)Cl2]‐Catalyzed Selective Hydroxylation of Arylboronic Acids to Phenols.
Authors: Chowdhury Abhishek Dutta , Mobin Shaikh M. , Mukherjee Soumen , Bhaduri Sumit , Lahiri Goutam Kumar 
Published: September 2011

AbstractPerforming the selective hydroxylation of arylboronic acids in solvents with low dielectric constants like chloroform, phenols (II) are obtained exclusively.
ChemInform Abstract: Divergent Regioselectivity in the Synthesis of Trisubstituted Allylic Alcohols by Nickel‐ and Ruthenium‐Catalyzed Alkyne Hydrohydroxymethylation with Formaldehyde.
Authors: Bausch Cory C. , Patman Ryan L. , Breit Berhard , Krische Michael J. 
Published: September 2011

AbstractThe reaction of usymmetrically substituted alkynes with paraformaldehyde proceeds with complete stereoselectivity.
ChemInform Abstract: Palladium‐Catalyzed Synthesis of Indoles via Ammonia Cross‐Coupling—Alkyne Cyclization.
Authors: Alsabeh Pamela G. , Lundgren Rylan J. , Longobardi Lauren E. , Stradiotto Mark 
Published: September 2011

AbstractThe synthesis of indoles (III), (V) and (VI) via the metal‐catalyzed cross‐coupling of 2‐alkynylbromoarenes (I) and (IV) with methylamine (II), ammonia and hydrazine, respectively, is reported for the first time.
ChemInform Abstract: A New and Efficient Procedure for Bi(OTf)3‐Promoted [3 + 2] Cycloaddition of N‐Tosylaziridines to Yield Imidazolines.
Authors: Li Xing , Yang Xueqi , Chang Honghong , Li Yanwei , Ni Bin , Wei Wenlong 
Published: September 2011

AbstractThe reaction is applied to a variety of 2‐arylaziridines and aromatic and aliphatic nitriles.
ChemInform Abstract: Amine Nucleophilic Addition to Nitroalkene as a New Practical Approach for the Synthesis of Fully Substituted Isoxazoline‐N‐oxide.
Authors: Zhong Cheng , Gautam Lekh Nath S. , Wang Dawei , Akhmedov Novruz G. , Petersen Jeffrey L. , Shi Xiaodong 
Published: September 2011

AbstractA one‐pot condensation of nitroalkenes with aldehydes alone or with aldehydes/sulfur ylides leads to formation of various desired fully substituted target compounds.
ChemInform Abstract: Heterocycles. Part 22. Synthesis, Characterization and Evaluation of Antimicrobial Potential of Some New Sulfonylhydrazino‐thiazoles.
Authors: Zaharia Valentin , Curticapean Manuela , Palibroda Nicolae , Vlassa Mircea , Silvestru Anca 
Published: September 2011

AbstractA variety of new sulfonylhydrazinothiazoles is synthesized based on the reaction of thiosemicarbazide (I) with α‐halogenocarbonyl compounds (II).
ChemInform Abstract: Regioselective One‐Pot Synthesis of 2‐Aryl‐6‐bromobenzothiazole from Arylaldehyde and 2‐Aminothiophenol with Phenyltrimethylammonium Tribromide in the Presence of a Catalytic Amount of Antimony(III)bromide.
Authors: Sayama Shinsei 
Published: September 2011

AbstractThe reaction with aromatic aldehydes (II) generally proceeds with better yields than with aliphatic aldehydes (IV).
ChemInform Abstract: Synthesis and Antitumor Activity of Novel Ethyl 3‐Aryl‐4‐oxo‐3,3a,4,6‐tetrahydro‐1H‐furo[3,4‐c]pyran‐3a‐carboxylates.
Authors: Li Ke , et al. et al. 
Published: September 2011

AbstractThe one‐pot, metal‐catalyzed domino reaction of alkylidene malonates (III) with butynediol (IV) provides access to a series of title compounds (V).
ChemInform Abstract: An Alternative Quinoline Synthesis by via Friedlaender Reaction Catalyzed by Yb(OTf)3.
Authors: Genovese Salvatore , Epifano Francesco , Marcotullio Maria Carla , Pelucchini Caroline , Curini Massimo 
Published: September 2011

AbstractA simple protocol is presented for the condensation of 2‐aminoarylketones with acyclic and cyclic carbonyl compounds to yield substituted quinolines.
ChemInform Abstract: Steric Effect on the Formation of 3H‐Azepine Derivatives from o‐Alkylphenylnitrene and Alcohol as a Nucleophilic Media.
Authors: Ulfa Siti Mariyah , Okamoto Hideki , Satake Kyosuke 
Published: September 2011

AbstractThe steric influence of the ortho‐alkyl group of the nitrobenzene substrate and the nucleophile on the reaction pathway is investigated.
ChemInform Abstract: Cross‐Metathesis Transformations of Terpenoids in Dialkyl Carbonate Solvents.
Authors: Bilel Hallouma , Hamdi Naceur , Zagrouba Fethy , Fischmeister Cedric , Bruneau Christian 
Published: September 2011

AbstractNovel terpenoids are prepared by cross‐metathesis reactions of terpenes with methyl acrylate in dimethyl carbonate or with methyl methacrylate under solvent‐free conditions.
ChemInform Abstract: Cytotoxic Oxasqualenoids from the Red Alga Laurencia viridis.
Authors: Cen‐Pacheco Francisco , Villa‐Pulgarin Janny A. , Mollinedo Faustino , Norte Manuel , Daranas Antonio H. , Fernandez Jose J. 
Published: September 2011

AbstractThree new polyether squalene derivatives prethyrsenol A (Ia), 13‐hydroxyprethyrsenol A (Ib), and 15‐dehydroxythyrsenol A (IIa), are isolated from the title plant.
Insights into Uranyl Chemistry from Molecular Dynamics Simulations
Authors: Bühl Michael , Wipff Georges 
Published: September 2011

AbstractFirst‐principles and purely classical molecular dynamics (MD) simulations for complexes of the uranyl ion (UO22+) are reviewed. Validation of Car–Parrinello MD simulations for small uranyl complexes in aqueous solution is discussed. Special attention is called to the mechanism of ligand‐exchange reactions at the uranyl centre and to effects of solvation and hydration on coordination and structural properties. Large‐scale classical MD simulations are surveyed in the context of liquid–liquid extraction, with uranyl complexes ranging from simple hydrates to calixarenes, and nonaqueous phases from simple organic solvents and supercritical CO2 to ionic liquids.
Radical Chemistry of Iminepyridine Ligands
Authors: Budzelaar Peter H. M. 
Published: September 2011

AbstractThe reactivity of metal fragments MeLi(THF), Me2Mg, Me2Zn and Me3Al with a variety of imine/pyridine ligands was studied by DFT methods. Ligands having at least two such groups in conjugation very effectively accept an electron from a metal–carbon bonding orbital and thus assist alkyl dissociation: the M–Me dissociation free energy ΔGd decreases by about 45 kcal/mol for the Li, Mg and Zn fragments, and by 60–70 kcal/mol for Me3Al. Paths for transfer of an alkyl group to the ligands were also explored. Paths for transfer to ligand carbon atoms were found to have high barriers, and such transfers are instead proposed to proceed via initial M–Me dissociation. Direct alkyl transfer to ligand nitrogen atoms is somewhat easier, and for the most electropositive metal Li such a transfer might compete with radical chemistry. For Dimpy, the most stable products are the C3 and C4 alkylation ones. However, the observed regioselectivity of alkyl transfer (often to Npy or C2) does not correlate with product stability and is likely to be a complicated function of radical stability, steric factors and unpaired electron density distribution. The results illustrate that Dimpy and related ligands should be considered strong, reversible oxidants.
Irreversible Inhibition of Monoamine Oxidase B by the Antiparkinsonian Medicines Rasagiline and Selegiline: A Computational Study
Authors: Borštnar Rok , Repič Matej , Kržan Mojca , Mavri Janez , Vianello Robert 
Published: September 2011

AbstractWe used quantum‐chemical methods to study seven possible mechanisms of monoamine oxidase (MAO) inhibition by acetylenic inhibitors, considering neutral, cationic, anionic and radical mechanisms. MAO is a flavoenzyme responsible for the metabolism of the important neurotransmitters noradrenaline, serotonin and dopamine. It exists in two isoforms: MAO A and MAO B. Selective MAO A inhibitors are used in the treatment of depression, whereas selective MAO B inhibitors such as rasagiline and selegiline are used to relieve symptoms of Parkinson disease. Rasagiline and selegiline are irreversible MAO B inhibitors, each forming a covalent bond with the enzyme's flavin adenine dinucleotide (FAD) cofactor upon inhibition. Although widely used, they both exhibit numerous adverse effects. Our calculations, performed at the B3LYP/6‐311++G(2d,2p)//B3LYP/6‐31+G(d) level of theory, with application of the CPCM solvent reaction field with ϵ = 4 to mimic the polar environment, found that a polar anionic mechanism, involving deprotonation of the inhibitor molecule at the terminal acetylene carbon atom, is the most plausible. The calculated free energies of activation for rasagiline and selegiline by this mechanistic pathway are 19.9 and 23.7 kcal mol–1, respectively, in very good agreement withexperimentally determined values of 20.8 and 21.3 kcal mol–1,respectively. Together with additional experimental and theoretical work, the results presented here could lead to better understanding of the nature of MAO inhibition and possible design of new antiparkinsonians as improved MAO B inhibitors. Some ideas on the strategy to achieve that and perspectives for future work are also given.
Synthesis and Properties of Covalently Linked Trichromophore Systems
Authors: Khan Tamanna K. , Ravikanth Mangalampalli 
Published: September 2011

AbstractFour covalently linked trichromophore systems containing a central boron dipyrromethene (BODIPY) unit connected to a porphyrin unit through the 3‐position and a core‐modified porphyrin or a porphyrin expanded through the 5‐position were synthesized by treating 3‐bromo‐5‐porphyrinyl BODIPY or 3‐bromo‐5‐rubyrinyl BODIPY with the corresponding hydroxy porphyrin or hydroxy‐expanded porphyrin in CHCl3 at 60 °C. The compounds are freely soluble in common organic solvents and confirmed by mass spectrometry and 1D and 2D NMR spectroscopy techniques. The absorption and electrochemical studies support weak ground‐state interactions among the three chromophore units within the trichromophore systems. The fluorescence studies indicate that BODIPY emission is quenched to a significant degree in all trichromophore systems due to a transfer of energy to one or both macrocyclic units attached to the BODIPY chromophore.
Three‐dimensional computation for flow‐induced vibrations in in‐line and cross‐flow directions of a circular cylinder
Authors: Kondo Norio 
Published: September 2011

SUMMARYWe present numerical results for in‐line and cross‐flow vibrations of a circular cylinder, which is immersed in a uniform flow and is elastically supported by damper‐spring systems to compute vibrations of a rigid cylinder. In the case of a circular cylinder with a low Scruton number, it is well‐known that two types of self‐excited vibrations appear in the in‐line direction in the range of low reduced velocities. On the other hand, a cross‐flow vibration of the circular cylinder can be excited in the range of high reduced velocities. Therefore, we compute the flow‐induced vibrations of the circular cylinder in the wide range of the reduced velocities at low and high Scruton numbers and discuss about excitation mechanisms in the in‐line and cross‐flow directions. Copyright © 2011 John Wiley & Sons, Ltd.
Paleoenvironmental context of archaeological sites, implications for subsistence strategies under Holocene climate change, northern Kenya
Authors: Ashley Gail M. , Ndiema Emmanuel K. , Spencer Joel Q.G. , Harris John W.K. , Kiura Purity W. 
Published: September 2011

AbstractThe Holocene was time of dramatic climate change in East Africa, shifting from wetter climate in the Early–Mid Holocene (∼10–5ka) to drier climates in the Late Holocene, followed by a slight reversal at <1ka. The Holocene was a time of cultural change from hunter‐gatherer and fishing to pastoralism. Recent excavations along the eastern shores of Lake Turkana, Kenya (4°N) provide new archaeological materials, a high‐resolution stratigraphic and paleoenvironmental data set, OSL dates, and cultural records in the context of documented environmental change (falling lake levels). Archaeological site FwJj25 (4.20 ± 0.28ka), on the northeastern margin of Lake Turkana, provides one of the earliest records of pastoralism in the region. The palimpsest record of FwJj5 (0.90 ± 0.06ka) was in a small valley containing a groundwater seep located 5km from the lake. FwJj5 reflects occupation by people who may have covered great distances in accessing resources, but were likely drawn to an environmental refugia of freshwater springs during times of regional aridity. © 2011 Wiley Periodicals, Inc.
Paleolithic hunting in a southern Moravian landscape: The case of Milovice IV, Czech Republic
Authors: Svoboda Jiří , Bocheńnski Zbigniew M. , Čulíková Věra , Dohnalová Alena , Hladilová Sárka , Hložek Martin , Horáček Ivan , Ivanov Martin , Králík Miroslav , Novák Martin , Pryor Alexander J.E. , Sázelová Sandra , Stevens Rhiannon E. , Wilczyńnski Jarosław , Wojtal Piotr 
Published: September 2011

AbstractThe Dolní Věstonice–Pavlov–Milovice area (Czech Republic) on the slopes of the Pavlov Hills provides an opportunity for correlating the geomorphology of the Dyje River valley with Gravettian settlement patterns. Although the sites vary in size and complexity, they create a regular chain of strategic locations at elevations between 200 m and 240 m asl. In 2009, a road collapsed into deserted cellars inside the village of Milovice and revealed a complex of archaeological layers deep within loess, at an elevation of only 175 m asl. This paper presents an analysis of this atypical archaeological site location and compares the results with the other sites. We argue that this location allowed direct contact with mammoth herds concentrated on the floodplain, while the aquatic environment offered possibilities for gathering plants and fishing. This site represents a new aspect of organized settlement, hunting strategies, and short‐distance human movements during the Gravettian within this area. © 2011 Wiley Periodicals, Inc.