bluuebunny/crossref_metadata_2025_split huggingface dataset:
Three different types of chirality‐driven crystallization within the series of uniformly substituted phenyl glycerol ethers
Authors: Bredikhin Alexander A. , Bredikhina Zemfira A. , Novikova Victorina G. , Pashagin Alexander V. , Zakharychev Dmitry V. , Gubaidullin Aidar T. 
Published: September 2008

AbstractSeven chiral arylglycerol ethers 2‐R‐C6H4‐O‐CH2CH(OH)CH2OH (R = H, Me, Et, Allyl, n‐Pr, i‐Pr, tert‐Bu) were synthesized in racemic and scalemic form. The IR spectra, melting points, and enthalpies of fusion for racemic and scalemic samples of every species were measured, the entropies of enantiomers mixing in the liquid state and Gibbs free energies of a racemic compound formation were derived and binary phase diagrams were reconstructed for the whole family. Solid racemic compounds stabilities were ranked for the four substances. Spontaneous resolution was established for the registered chiral drug mephenesin and its ethyl analogue. Metastable anomalous conglomerate, forming crystals having three independent R* and one independent S* molecules in the unit cell, is formed during solution crystallization of tert‐butyl derivative; metastable phase transforms slowly into traditional racemic conglomerate. Chirality, 2008. © 2008 Wiley‐Liss, Inc.
Adsorptive Removal of Acid Blue 15: Equilibrium and Kinetic Study
Authors: Thinakaran N. , Baskaralingam P. , Thiruvengada Ravi K. V. , Panneerselvam P. , Sivanesan Subramanian 
Published: September 2008

AbstractActivated carbons prepared from sunflower seed hull have been used as adsorbents for the removal of acid blue 15 (AB‐15) from aqueous solution. Batch adsorption techniques were performed to evaluate the influences of various experimental parameters, e. g., temperature, adsorbent dosage, pH, initial dye concentration and contact time on the adsorption process. The optimum conditions for AB‐15 removal were found to be pH = 3, adsorbent dosage = 3 g/L and equilibrium time = 4 h at 30°C. The adsorption of AB‐15 onto the adsorbent was found to increase with increasing dosage. It was found from experimental results that the Langmuir isotherm fits the data better than the Freundlich and Temkin isotherms. The maximum adsorption capacity, Qm (at 30°C) was calculated for SF1, SF2, and SF3 as 75, 125 and 110 mg g–1 of adsorbent, respectively. It was found that the adsorption follows pseudo‐second order kinetics. The thermodynamic parameters such as ΔG°, ΔH°, and ΔS° were also evaluated. The activated carbons prepared were characterized by FT‐IR, SEM and BET analysis.
Computational Studies to Discover a New NR2B/NMDA Receptor Antagonist and Evaluation of Pharmacological Profile
Authors: Gitto Rosaria , De Luca Laura , Ferro Stefania , Occhiuto Francesco , Samperi Stefania , De Sarro Giovanbattista , Russo Emilio , Ciranna Lucia , Costa Lara , Chimirri Alba 
Published: September 2008

AbstractThe ionotropic glutamate NMDA/NR2B receptor and its interaction with ifenprodil‐like noncompetitive ligands were investigated by a combined ligand‐based and target‐based approach. First, we generated 3D pharmacophore hypotheses and identified common chemical features that are shared by a training set of well‐known NR2B antagonists. The binding mode of the most representative ligand was also studied by molecular docking. Because the docking results and the suggested 3D pharmacophore model were in good agreement, we obtained new information about the NR2B ifenprodil site. The best pharmacophoric hypothesis was used as a query for in silico screening; this allowed the identification of new “hit”. We synthesized “hit‐compound” analogues, and some of the molecules showed significant activity both in binding and functional assay as well as in vivo anticonvulsant efficacy in DBA/2 mice. The most active derivatives also exhibited neuroprotective effects against glutamate‐induced toxicity in HCN‐1A cells.
How Fast is a Fast Equilibrium? A New View of Reversible Reactions
Authors: Baleizão Carlos , Berberan‐Santos Mário N. 
Published: September 2008

AbstractReversible reactions are described in terms of kinetic cycles. From this description, two useful parameters arise: 1) average cycle duration and 2) average number of cycles. The latter applies to cycles with at least one unstable species. These parameters allow answering the question “How fast is a fast equilibrium?” in absolute and in relative terms, respectively. The general interest of the approach is demonstrated by application to reactions drawn from several areas: Acid–base equilibria, enzyme kinetics, excited‐state proton transfer, thermally activated delayed fluorescence, monomer–excimer kinetics and homo‐FRET.
Evolution of shame as an adaptation to social punishment and its contribution to social cohesiveness
Authors: Jaffe Klaus 
Published: September 2008

AbstractFeelings of shame are common among humans although shameless individuals do not seem to be handicapped in achieving social success in life. What then is the adaptive value of shame? How can shame have evolved? Here I simulate shame as the emotion that induces an increase in pro‐social behavior after receiving social punishment. Simulations with the agent‐based model, Sociodynamica, show that shame is evolutionary stable in a context of individual selection, without the need for including group selection as an evolutionary force. The adaptive advantage of shame is based on the fact that it increases flexibility to the shameful individual, allowing it to act selfish if the probabilities of being punished are low and achieving a reduction in the costs of social punishment when frequent punishment is likely. The results show that shame, together with pro‐social punishment and social cooperation, produce a fluctuating dynamics of social cooperation, achieving long periods where the populations stabilizes pro‐social behavior interspersed with periods where selfish behavior predominates. This temporal stabilization of pro‐social behavior might provide societies with sufficient time to build institutions that might stabilize sustainable pro‐social behavior. © 2008 Wiley Periodicals, Inc. Complexity, 2008
Altered morphology of motor cortex neurons in the VPA rat model of autism
Authors: Snow Wanda M. , Hartle Kelly , Ivanco Tammy L. 
Published: September 2008

AbstractAutism occurs in 1 in 1,000 children and incidence may be increasing. Investigating brain development and developmental injury in humans is difficult. As such, many studies rely on animal models of disorders. We chose to investigate the valproic acid‐exposed rat, as this model shares many similarities with autism. Pregnant Long‐Evans rats were administered either valproic acid (VPA) or saline during fetal neural tube development. Morphological analyses of cells in layer II of the golgi impregnated motor cortex were done to determine dendritic length, volume, and complexity in both groups. No differences were found in length or volume of cortical dendrites, but dendritic arborization was more complex in apical dendrites of pyramidal cells in VPA‐exposed animals than controls. The implication of this finding is that pruning in the VPA‐exposed rat is not occurring, which is consistent with theories related to abnormal human brain development in autism. © 2008 Wiley Periodicals, Inc. Dev Psychobiol 50: 633‐639, 2008.
To spear or not to spear: Comparison of saliva collection methods
Authors: Donzella Bonny , Talge Nicole M. , Smith Tiffany L. , Gunnar Megan R. 
Published: September 2008

AbstractThe eye spear, or an absorbent sponge‐like material, has been proposed as a useful method of obtaining repeated saliva samples from infants and young children for cortisol determination. This brief report examines possible interference effects of different types of eye spears under conditions of relatively high and low cortisol levels, with or without the use of oral stimulant, and using two common assays. In Study 1, one type of eye spear was compared to passively collected drool using two different assays (EIA, DELFIA), across high and low concentrations of cortisol. No differences were found between methods for either assay or cortisol level, indicating that the spears are potentially a viable method of collecting saliva. Study 2 compared three other types of absorbent eye spears to passive drooling under the presence or absence of oral stimulant use. This study revealed that the degree of interference varied as a function of the specific type of eye spear that was employed; stimulant use had no effect. Taken together, the results raise important considerations to take into account when selecting collection materials and procedures in the measurement of salivary cortisol. © 2008 Wiley Periodicals, Inc. Dev Psychobiol 50: 714‐717, 2008.
Cu2+‐Mediated Nucleophilic Addition of Different Nucleophiles to Dicyanamide – Synthesis, Structures, and Magnetic Properties of a Family of Mononuclear, Trinuclear, Hexanuclear, and Polymeric Copper(II) Complexes
Authors: Zheng Ling‐Ling , Leng Ji‐Dong , Liu Wen‐Ting , Zhang Wei‐Xiong , Lu Jun‐Xian , Tong Ming‐Liang 
Published: September 2008

AbstractFive new copper(II) complexes have been isolated from the reaction system of CuII/N(CN)2–/HNu (HNu = pyrazole or MeOH) by Cu2+‐mediated in situ nucleophilic additions of methanol or pyrazole to dicyanamide; they are [Cu(HdcadMeOH)2](ClO4)2·2H2O (3), [Cu(dca)2(3‐nic)2]n·(HdcaMeOH)2n (4), [Cu(dcapz)(dcadMeOH)] (5), [Cu3(dcadpz)2(Hpz)2(MeCN)2](ClO4)2(NO3)2 (6), and [Cu6(dcadpz‐2H)2(μ‐pz)6] (7) [HdcadMeOH = bis(methoxycarbimido)amine, HdcaMeOH = (methoxycarbimido)cyanoamine, dcadMeOH– = bis(methoxycarbimido)aminato, dcapz– = (pyrazolecarbimido)cyanoaminato, dcadpz– = bis(pyrazolecarbimido)aminato, Hpz = pyrazole, 3‐nic = nicotinamide]. X‐ray crystallography revealed that 3 and 5 are mononuclear complexes, 6 is a trinuclear complex, 7 is a cyclic hexanuclear cluster, whereas 4 is composed of neutral one‐dimensional [Cu(μ1,5‐dca)2(3‐nic)2]n coordination chains with HdcaMeOH guest molecules located between these chains. In the five complexes, the 1:1 and 1:2 nucleophilic addition reactions occurred between dca– and methanol or pyrazole molecules under controlled conditions. In complexes 3, 5, 6, and 7, the addition products generated in situ act as bridging or chelating ligands, whereas in compound 4 the addition product acts as the guest molecule. The magnetic properties of complexes 6 and 7 were studied by variable‐temperature magnetic susceptibility and magnetization measurements. In 6, significant ferromagnetic coupling exists between the three S = 1/2 spins within the Cu3 unit through the dcadpz– bridges, whereas in 7, strong antiferromagnetic couplings exist between the neighboring copper ions through the [dcadpz‐2H]3– and pz– bridges with an intratrimer exchange interaction of –250.6 K and an intertrimer coupling interaction of –69.1 K. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
Facile, Ambient Temperature, Double Sn–C Bond Cleavage: Synthesis, Structure, and Electrochemistry of Organotin and Organotellurium Ferrocenecarboxylates
Authors: Chandrasekhar Vadapalli , Thirumoorthi Ramalingam 
Published: September 2008

AbstractThe reaction of organotin halides R3SnCl (R = Me or benzyl) with ferrocenecarboxylic acid (FcCOOH) in the presence of triethylamine affords Me3SnO2CFc (1) or Bn3SnO2CFc (2) (Bn = benzyl). The latter undergoes a facile ambient temperature double Sn–C bond cleavage to give the monoorganostannoxane, [BnSn(O)O2CFc]6 (3). Compound 3 is also formed by a single Sn–C bond cleavage reaction in the reaction between Bn2SnCl2 and FcCOOH. In contrast, the reaction of Me2SnCl2 with FcCOOH affords Me2Sn(O2CFc)2 (4), where the Sn–C bonds are robust. Organotellurium ferrocene carboxylates [(4‐OMe‐Ph)2Te(O2CFc)2] (5) and [(4‐NMe2‐Ph)2Te(O2CFc)2] (6) are obtained in the reaction of the corresponding diorganotellurium oxides/halides with FcCOOH. Whereas 1 is a zig‐zag one‐dimensional coordination polymer with a square‐wave architecture, the structures of 3–6 are molecular. Compound 3 is a hexameric cage and possesses a drum‐type structure, whereas 4 is mononuclear and contains a six‐coordinate tin with a skewed trapezoidal geometry. In compounds 5 and 6 the lone pairs on tellurium are stereochemically active thereby conferring see‐saw geometries. Compounds 1, 2, 4, and 5 show single quasireversible peaks at +0.62, +0.72, +0.66, and +0.64 V, respectively with respect to the Ag/AgCl electrode. Compound 3, which contains six ferrocene arms, shows a single redox event along with a stripping peak. Compound 6 shows quasireversible and irreversible redox events at +0.62 and +1.17 V, respectively. The latter is due to a ligand‐centered oxidation.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
Probing the Effect of Binding Site and Metal Centre Variation in Pentadentate Oligopyridylimine‐Bearing Bimetallic (Fe2, Co2, Ni2) Ethylene Oligomerisation Catalysts
Authors: Armitage Andrew P. , Champouret Yohan D. M. , Grigoli Hubert , Pelletier Jérémie D. A. , Singh Kuldip , Solan Gregory A. 
Published: September 2008

AbstractThe symmetrical and unsymmetrical pentaaza 2,6‐oligopyridylimines, 6,6″‐[(2,6‐iPr2C6H3)N=CMe]2‐2,2′:6′,2″‐C15H9N3 (L1) and 6‐[(2,6‐iPr2C6H3)N=CMe]‐2,2′:6′,2″:6″,2″′‐C20H13N4 (L2), have been prepared in good yield using a combination of palladium(0)‐mediated cross‐coupling and condensation strategies. Treatment of L1 or L2 with two equivalents of MX2 in nBuOH at elevated temperatures affords the paramagnetic bimetallic complexes [(L1)M2X4] [M = Fe, X = Cl (1); M = Co, X = Cl (2a); M = Co, X = Br (2b); M = Ni, X = Br (3)] and [(L2)M2X4] [M = Fe, X = Cl (4); M = Co, X = Cl (5a); M = Co, X = Br (5b); M = Ni, X = Br (6)] in high yield, respectively. The molecular structures of 2a along with the acetonitrile adduct of 5b, [5b(NCMe)], have been determined and reveal that L1 and L2 compartmentalise the MX2 units into mixed pyridylimine/dipyridylimine (2a) and pyridylimine/terpyridine [5b(NCMe)] binding sites. Unexpectedly during crystallisation of 6 from acetonitrile, the salt [(L2)Ni2Br2(μ‐Br)(NCMe)2]2[NiBr4] (7) was obtained as the only crystalline product. On activation with MAO (methylaluminoxane), 4–6 show only low activities for ethylene oligomerisation (6/MAO > 5/MAO) or are inactive (4/MAO). On the other hand, 1–3 are considerably more active (3/MAO > 2/MAO > 1/MAO) with the most productive system, dinickel‐based 3/MAO (450 g mmol–1 h–1 bar–1), yielding methyl‐branched waxes composed of mostly internal unsaturation along with lower levels of α‐olefins; conversely the diiron (1/MAO) and dicobalt (2/MAO) systems give uniquely linear α‐olefins. For purposes of comparison the synthesis, structure and catalytic activity of mono‐nickel [(6‐{(2,6‐iPr2C6H3)N=CMe}‐2,2′‐C10H7N2)NiBr2] (8) are also reported. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
The Binary Ph2PCl/GaCl3 System: A Room‐Temperature Molten Medium for P–P Bond Formation
Authors: Weigand Jan J. , Burford Neil , Decken Andreas 
Published: September 2008

AbstractAn equimolar reaction mixture of Ph2PCl and GaCl3 at room temperature results in the formation of a melt M consisting of the donor–acceptor complex Ph2PCl→GaCl3 (1a), the chloro(diphenylphosphanyl)diphenylphosphonium cation (2a), and the counteranions [GanCl3n+1]– (n = 1, 2, 3). The melt has been characterized by Raman and NMR spectroscopy and is compared with the reaction mixture of Ph2PCl and GaCl3 observed in solution (CH2Cl2). The melt provides a facile and reactive source of the diphenylphosphenium cation, as demonstrated with use for P–P bond insertion into (PhP)5, to give the 2,3,4,5‐tetraphosphanyl‐1,4‐diphosphonium dication (3), and reductive coupling with gallium metal to give the diadduct Cl3GaPPh2PPh2GaCl3 (5).(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
N‐Heterocyclic Carbene‐Catalyzed Domino Reactions of Formylcyclopropane 1,1‐Diesters: A New Synthesis of Coumarins
Authors: Du Ding , Wang Zhongwen 
Published: September 2008

AbstractN‐Heterocyclic carbenes (NHCs) catalyze the reaction of formylcyclopropane 1,1‐diesters with salicylaldehydes in a domino redox esterification/cyclization reaction to give coumarins in moderate to excellent yields. In addition, we also report the intramolecular conversion of compound 2f to dihydropyranone 4 catalyzed by NHC D. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
Synthesis of the L‐Acid (C1–C18) Fragment of Pamamycin‐593 and De‐N‐methylpamamycin‐579
Authors: Miura Ayako , Takigawa Shin‐ya , Furuya Yukito , Yokoo Yusuke , Kuwahara Shigefumi , Kiyota Hiromasa 
Published: September 2008

AbstractThe L‐acid (C1–C18) fragment of pamamycin‐593 and de‐N‐methylpamamycin‐579, strong aerial mycelium‐inducers of Streptomyces alboniger, was synthesized using a cis‐selective iodoetherification and a nucleophilic addition of a cerium acetylide to an aldehyde as the key steps. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
Diastereoselective Synthesis of Heteroaromatic Glycine Derivatives
Authors: Andreassen Trygve , Hansen Lars‐Kristian , Gautun Odd R. 
Published: September 2008

AbstractA TMSOTf promoted addition of an N‐tert‐butanesulfinyl α‐imino ester to five‐membered aromatic heterocycles furnishes optically active heteroaromatic glycine derivatives with moderate‐to‐good yield in diastereomeric ratios up to 99 %. The absolute configuration of two of the addition products were solved by X‐ray analysis. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
Gold Catalysis and Chiral Sulfoxides: Enantioselective Synthesis of Dihydroisoindol‐4‐ols
Authors: Hashmi A. Stephen K. , Schäfer Sascha , Bats Jan W. , Frey Wolfgang , Rominger Frank 
Published: September 2008

AbstractFurfurals and enantomerically pure sulfinamides have been condensed to N‐sulfinylimines. Addition of organolithium or ‐magnesium compounds to these imines allowed a 1,2‐induction. After propargylation, the sulfinamides gave low conversion with gold catalysts. Oxidation to chiral sulfonamides, propargylation and gold‐catalysed cycloisomerization to the phenol delivered non‐racemic dihydroisoindol‐4‐ols in good yields. In situ NMR studies prove the intermediacy of the arene oxide even with the AuCl3 catalyst.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
An Improved Iron‐Catalyzed Epoxidation of Aromatic and Aliphatic Olefins with Hydrogen Peroxide as Oxidant
Authors: Bitterlich Bianca , Schröder Kristin , Tse Man Kin , Beller Matthias 
Published: September 2008

AbstractA convenient and practical method for the iron‐catalyzed epoxidation of aromatic and aliphatic olefins is described. The iron catalyst system is generated in situ from iron trichloride hexahydrate, pyridine‐2,6‐dicarboxylic acid (H2pydic), and benzylamines. By variation of the benzylamine ligand, a variety of aliphatic and aromatic olefins were oxidized in high yield (up to 96 %) and good‐to‐excellent selectivity in the presence of hydrogen peroxide as the terminal oxidant. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
Dendritic Silver/Silicon Dioxide Nanocomposite Modified Electrodes for Electrochemical Sensing of Hydrogen Peroxide
Authors: Yuan Peixi , Zhuo Ying , Chai Yaqin , Ju Huangxian 
Published: September 2008

AbstractA novel biosensor for hydrogen peroxide was prepared by immobilizing horseradish peroxidase (HPR) on newly synthesized dendritic silver/silicon dioxide nanocomposites, which were coated on a glassy carbon electrode. The modified electrode was characterized with XPS, SEM, and electrochemical methods. This biosensor showed a very fast amperometric response to hydrogen peroxide with a linear range from 0.7 to 120 μM, a limit of detection of 0.05 μM and a sensitivity of 1.02 mA mM−1 cm−2. The Michaelis‐Menten constant of the immobilized HRP was estimated to be 0.21 mM, indicating a high affinity of the HRP to H2O2 without loss of enzymatic activity. The preparation of the proposed biosensor was convenient, and it showed high sensitivity and good stability.
Cryptic and partial deletions of PRDM16 and RUNX1 without t(1;21)(p36;q22) and/or RUNX1–PRDM16 fusion in a case of progressive chronic myeloid leukemia: A complex chromosomal rearrangement of underestimated frequency in disease progression?
Authors: Deluche Lauréline , Joha Sami , Corm Sélim , Daudignon Agnès , Geffroy Sandrine , Quief Sabine , Villenet Céline , Kerckaert Jean‐Pierre , Laï Jean‐Luc , Preudhomme Claude , Roche‐Lestienne Catherine 
Published: September 2008

AbstractChronic myeloid leukemia (CML) is a myeloproliferative disorder characterized by the presence in leukemic stem cells of the Philadelphia chromosome (Ph) and the formation of the BCR‐ABL1 fusion. Untreated, the disease progresses to accelerate phase and blast crisis in which hematopoietic differentiation has become arrested. CML progression is frequently associated with cytogenetic evidence of clonal evolution, defined as additional chromosomal aberrations. We here report a CML resistant to tyrosine kinase inhibitors that rapidly progressed to blastic phase. At this time, array CGH performed on CD34+ cells revealed cryptic partial deletions of both PRDM16 and RUNX1 and duplication of the der(21) chromosome. These genomic rearrangements were confirmed by FISH with probes targeting the deletion on chromosome 21 (24 kb), and with BAC probes flanking the deletion on 1p36 (220 kb). However, no cryptic t(1;21)(p36;q22) and/or RUNX1‐PRDM16 were detected, suggesting that these deletions are the residual hallmarks of a more complex mechanism of chromosomal rearrangement, as indicated by the additional inversion of the region bounded by 1p36.32 and 1p36.12 breaks. At the molecular level, these abnormalities lead to the overexpression of the PR‐domain negative oncogenic isoform of PRDM16, associated with two deleted copies within the runt domain of C‐teminal aberrant RUNX1. These events are not detectable by conventional cytogenetic and molecular strategies, and may be of underestimated frequency in disease progression. © 2008 Wiley‐Liss, Inc.
The complex genomic profile of ETV6‐RUNX1 positive acute lymphoblastic leukemia highlights a recurrent deletion of TBL1XR1
Authors: Parker Helen , An Qian , Barber Kerry , Case Marian , Davies Teresa , Konn Zoë , Stewart Adam , Wright Sarah , Griffiths Mike , Ross Fiona M. , Moorman Anthony V. , Hall Andy G. , Irving Julie A. , Harrison Christine J. , Strefford Jon C. 
Published: September 2008

AbstractThe ETV6‐RUNX1 fusion is the molecular consequence of the t(12;21)(p13;q22) seen in ∼25% of children with acute lymphoblastic leukemia (ALL). Studies have shown that the fusion alone is insufficient for the initiation of leukemia; additional genetic changes are required. Genomic profiling identified copy number alterations at high frequencies in these patients. Focal deletions of TBL1XR1 were observed in 15% of cases; 3 patients exhibited deletions distal to the gene. Fluorescence in situ hybridization confirmed these deletions and quantitative RT‐PCR showed that the TBL1XR1 gene was significantly under‐expressed. TBL1XR1 is a key component of the SMRT and N‐CoR compressor complexes, which control hormone–receptor mediated gene expression. Differential expression of the retinoic acid target genes, RARB, CRABP1, and CRABP2, indicated that deletion of TBL1XR1 compromised the function of SMRT/N‐CoR in the appropriate control of gene expression. This study identifies deletions of TBL1XR1 as a recurrent abnormality in ETV6‐RUNX1 positive ALL. We provide evidence that implicates this deletion in the inappropriate control of gene expression in these patients. The target of the interaction between TBL1XR1 and the signaling pathways described here may be exploited in cancer therapy. © 2008 Wiley‐Liss, Inc.