bluuebunny/crossref_metadata_2025 huggingface dataset:
Inhibition of ultrasonic vocalizations by beta‐adrenoceptor agonists
Authors: Blumberg Mark S. , Johnson Eric D. , Middlemis‐Brown Jessica E.
Published: June 2005

Infant rat ultrasonic vocalizations (USVs) are widely believed to result from the induction of an emotional state of anxiety or distress. This perspective, however, is not easily reconciled with the demonstration by W. J. Farrell and J. R. Alberts 2000 that norepinephrine, a nonselective beta‐adrenoceptor agonist with anxiogenic properties, inhibits production of USVs. Here, Farrell and Alberts' finding was replicated and extended with 12‐day‐old rats using a conventional isolation paradigm. First, treatment with norepinephrine (1 mg/kg) significantly inhibited ultrasound production while also increasing body temperature. Next, treatment with the beta‐2 agonist terbutaline (1 mg/kg) and the beta‐3 agonist CL‐316243 (1 mg/kg), but not the beta‐1 agonist dobutamine (1 mg/kg), inhibited ultrasound production; only CL‐316243 increased body temperature. The unexpected inhibition of USVs by terbutaline, a potent bronchodilator, was replicated using a slightly modified procedure; again, body temperature was unaffected by terbutaline administration. In no experiment was inhibition of USVs related to changes in motor activity. Altogether, these results suggest either that ultrasound production is not a valid indicator of anxiety or that anxiety in infant rats is produced by neuropharmacological mechanisms that differ fundamentally from those in adults. © 2005 Wiley Periodicals, Inc. Dev Psychobiol 47: 66–76, 2005.
Latent inhibition in the developing rat: An examination of context‐specific effects
Authors: Yap Carol S. L. , Richardson Rick
Published: June 2005

Latent inhibition (LI) refers to the reduction in conditioned responding when the conditioned stimulus (CS) is preexposed prior to CS–unconditioned stimulus pairings. Experiment 1a demonstrated that preexposure to an odor CS prior to odor–shock pairings markedly reduced conditioned freezing in 25‐day‐old rats; however, this LI effect was observed only if odor preexposure and odor–shock pairings occurred in the same context (i.e., LI was context‐specific at this age). The results of Experiment 1b showed that 18‐day‐olds also exhibited LI, but this effect was not context‐specific at this age. In Experiment 2, rats were preexposed to the odor at 18 days of age and given odor–shock pairings at 25 days of age. These rats exhibited context‐specific latent inhibition, suggesting that 18‐day‐old rats encoded the preexposure context. In Experiment 3, all parameters were identical to Experiment 2, with the exception that odor–shock pairings were given at ∼PN18 and testing occurred at ∼PN25. These rats exhibited latent inhibition at test, but this effect was not context‐specific. The results of this study suggest that (a) PN18 rats can exhibit latent inhibition, and (b) the expression of context‐specific latent inhibition depends on the age at which conditioning occurs. © 2005 Wiley Periodicals, Inc. Dev Psychobiol 47: 55–65, 2005.
Detection of geometric, but not topological, spatial transformations in 6‐ to 12‐month‐old infants in a visual exploration paradigm
Authors: Lew Adina R. , Foster Kirsty A. , Bremner J. Gavin , Slavin Simon , Green Michael
Published: June 2005

Several theories of spatial orientation propose that the geometry of an environment plays a privileged role in reorientation, relative to relations between individual landmarks. Infants (N = 90) in three age groups (6, 8½, and 12 months) experienced three conditions: topological, geometric, and control. A round room contained four distinctive objects in a rectangular arrangement on the inside periphery. Infants were familiarized to the array prior to a 2‐min test period. In the topological condition, two objects were switched. In the geometric condition, the objects were moved to form an irregular quadrilateral. In the control condition, the array remained unchanged. Infants of 8½ months and over visually explored significantly more in the geometric condition only. An initial study with adults found greater visual exploration in both geometric and topological conditions. These results are discussed in the context of current theories of spatial orientation. © 2005 Wiley Periodicals, Inc. Dev Psychobiol 47: 31–42, 2005.
The First X‐ray Characterized Monosubstituted Ferrocenyl Azacrown Chalcone: Focus on Its Calcium Interaction/Electrochemical Detection Studies
Authors: Delavaux‐Nicot Béatrice , Maynadié Jérôme , Lavabre Dominique , Lepetit Christine , Donnadieu Bruno
Published: June 2005

The first X‐ray characterization of an azacrown ferrocenyl chalcone [(C5H5)Fe(C5H4COCH=CHC6H4‐p‐aza‐15‐crown‐5)] (2) is reported. Its cation electrochemical detection capabilities have been evaluated and its behaviour towards protonation and calcium addition has been thoroughly examined. The uncommon ligand–Ca2+ interaction process involves three species of different stoichiometry in equilibrium in solution. Their association constants have been calculated. These species are formed by interaction of calcium with both the azacrown and CO functions of compound 2, as evidenced by NMR and IR spectroscopy. The theoretical MESP analysis also suggests that, contrary to its N‐ethyl‐substituted homologue [(C5H5)Fe(C5H4COCH=CHC6H4NEt2)] (1a), both coordination sites of 2 are involved in this interaction process. The study highlights that the CO group of 2 improves the selectivity of the cation electrochemical detection whencompared to the known compound [(C5H5)Fe(C5H4CH=CHC6H4‐p‐aza‐15‐crown‐5)]. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Multi‐Channel Receptors and Their Relation to Guest Chemosensing and Reconfigurable Molecular Logic Gates
Authors: Jiménez Diego , Martínez‐Máñez Ramón , Sancenón Félix , Ros‐Lis José V. , Soto Juan , Benito Ángel , García‐Breijo Eduardo
Published: June 2005

The synthesis and characterisation of a family of multi‐channel receptors containing crown‐cation binding sites anchored to a 1‐aminophenyl‐1,2,2‐tricyanoethylene group is reported. The ligands L1–L6 bear a 1‐aminophenyl‐1,2,2‐tricyanoethylene scaffolding which is simultaneously a redox‐active group (showing reduction processes at moderately modest potentials) and an acceptor moiety in the 1‐aminophenyl‐1,2,2‐tricyanoethylene chromophore. Additionally, dyes L1–L6 also show fluorescence emission. The colour variation of L1–L6 in acetonitrile in the presence of the metal cations Ag+, Cd2+, Cu2+, Fe3+, Hg2+, Pb2+ and Zn2+ has been studied. Selective hypsochromic shifts were found for the systems L4‐Pb2+, L5‐Hg2+ and L6‐Hg2+. For Hg2+ with L5 and L6 and Pb2+ with L4, emission fluorescence enhancements most likely associated with metal coordination to the anilinium nitrogen were observed. The electrochemical behaviour of receptors L1–L6 was studied in acetonitrile with platinum as working electrode and [Bu4N][BF4] as supporting electrolyte. This family of receptors shows a one‐electron reversible reduction process at around –0.70 V vs. SCE, attributed to the reduction of the tricyanovinyl group. Additionally, all the receptors also show the oxidation of the anilinium moiety at about 1.2–1.4 V vs. SCE. Significant anodic shifts of both reduction and oxidation waves were found in the presence of certain metal cations. The relationship of these multiple‐channel signalling receptors with guest chemosensing and reconfigurable molecular‐based logic gates is discussed. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
The Hexakis(thiocyanato)ferrate(III) Ion: a Coordination Chemistry Classic Reveals an Interesting Geometry Pattern for the Thiocyanate Ligands
Authors: Addison Anthony W. , Butcher Raymond J. , Homonnay Zoltán , Pavlishchuk Vitaly V. , Prushan Michael J. , Thompson Laurence K.
Published: June 2005

(NMe4)3[Fe(NCS)6] crystallizes from ethanol in the monoclinic space group C2/c. Two different types of complex ions are contained in the unit cell, though both possess exclusively N‐coordination of the thiocyanate ligands. In one ion, the thiocyanate ligands are all essentially linearly bound, with an Fe–N–C angle of 174 ± 4°, while in the other, there are two cis‐thiocyanate ligands with a notably small Fe–N–C angle of 146.5°. The EPR and Mössbauer results show that all the iron(III) centers maintain the high‐spin state down to 80 K, while the magnetic susceptibility confirms this to 2 K. Infrared and Mössbauer spectra provide evidence for an unusually “soft” lattice. Traditional criteria for interpretation of the infrared frequencies are not strictly applicable for this compound. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
[1+1] Asymmetric Compartmental Macrocycles Bearing a Pendant Arm and Related s,f‐Heterodinuclear Complexes Containing Lanthanide(III) and Sodium Ions
Authors: Tamburini Sergio , Casellato Umberto , Bertolo Laura , Alessandro Vigato Pietro
Published: June 2005

[1+1] Asymmetric compartmental macrocycles and/or related mononuclear, homodinuclear and sodium(I)‐lanthanide(III) heterodinuclear complexes are reported and their properties investigated by SEM‐EDS microscopy and 1H, 13C and 23Na NMR spectroscopy. These ligands bear a pendant arm, represented by a ‐CH2COOH (H3LA), ‐CH2C5H4N (H2LB) or‐CH2C6H4OH (H3LC) group bonded to the aminic nitrogen, and contain an O2O3 crown‐ether‐like chamber and an N3XO2 (where X = O, N) Schiff‐base chamber. It was found that the lanthanide(III) ion resides in the N3XO2 chamber while the sodium(I) ion fills the O2O3 crown‐ether‐like chamber, as ascertained for the complex [DyNa(LC)(PrOH)(Cl)] by a single‐crystal X‐ray structural investigation. The complex is monoclinic, space group P21/c, with a = 9.601(2), b = 12.927(2), c = 26.638(4) Å, β = 99.55(3)°. The dysprosium ion is seven‐coordinate in the N3O2 site, showing a pentagonal‐bipyramid‐coordination polyhedron and bonded, in the axial positions, to a chlorine ion and to the oxygen of the pendant phenolic group of the ligand. The sodium ion is six‐coordinate in the O3O2 site and bonded to the propyl alcohol oxygen. Furthermore, the potential use of these complexes as molecular probes for the selective recognition of specific metal ions has been tested. In particular, their ability to act as shift reagents towards Na+ was investigated by 23Na NMR spectroscopy. The relationship between the structure of these complexes in the solid state and in solution is reported. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Hemilabile Thioether Ligands Based on Pyrimidine and/or Pyridine Derivatives that Interconvert between N,S‐ and N‐Coordination in Congested Ruthenium(II) Complexes
Authors: Tresoldi Giuseppe , Baradello Laura , Lanza Santo , Cardiano Paola
Published: June 2005

The thioether ligands L [L = 2‐pyridylmethyl 2'‐pyridyl sulfide (L1), 2‐pyridylmethyl 2'‐pyrimidyl sulfide (L2) and 2‐pyridylmethyl 2'‐(4‐methylpyrimidyl) sulfide (L3)] react with cis‐[Ru(N,N‐diimine)2Cl2] {diimine = 2,2'‐bipyridine (bipy), di‐2‐pyrimidyl sulfide (dprs), 2,2'‐bis(5‐ethylpyrimidyl) sulfide (5edprs)} to give compounds [Ru(N,N‐diimine)2L][PF6]2 {diimine = bipy, L =L1 (1), L2 (2), L3 (3); diimine = dprs, L = L1 (4); diimine = 5edprs, L = L1 (5); diimine = dprs, L = L2 (6), L = L3 (7); diimine = 5edprs, L = L2 (8), L = L3 (9)}. NMR investigations show that these potentially tridentate ligands act as N,S‐bidentate species, to form a five‐membered RuSCCN(Ru–N) ring, and in certain cases, as N‐monodentate species coordinated to the ruthenium through the 2‐pyridylmethyl group. The N,S‐chelated species contain chiral sulfur and ruthenium atoms with (R) and (S), and Δ and Λ configurations, respectively. Two invertomers and two sets of NMR signals in the slow‐exchange region are expected. However, the low‐temperature 1H NMR spectra show that sulfur inversion is fast. The variable‐temperature 1H NMR spectra allow two species to be observed (6a + 6b, 7a + 7b, 8a + 8b and 9a + 9b), which exhibit different abundances. In the minor species (6b, 7b, 8b, and 9b), L2 or L3 exhibits an N‐monodentate coordination, while in the major species, the usual N,S‐coordination. At low temperatures, the population ratio is about 85:15, while when the temperature increases, the abundance of the minor species grows rapidly. The one‐dimensional band‐shape analysis of the exchanging methylene proton signals shows that the energy‐barrier for the interchange process (ΔG#298) for 6a + 6b, 7a + 7b, 8a + 8b, and 9a + 9b is practically the same (ca. 59.5 kJ·mol–1), while the ΔS# values are negative or near to zero. The possible mechanisms for the process are discussed. The NMR spectroscopic findings strongly support the formation of an N,N‐chelated labile intermediate. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Synthesis and Characterization of Radical Cations Derived from Mono‐ and Biferrocenyl‐Substituted 2‐Aza‐1,3‐butadienes: A Study of the Influence of an Asymmetric and Oxidizable Bridge on Intramolecular Electron Transfer
Authors: Lloveras Vega , Caballero Antonio , Tárraga Alberto , Velasco M. Desamparados , Espinosa Arturo , Wurst Klaus , Evans David J. , Vidal‐Gancedo José , Rovira Concepció , Molina Pedro , Veciana Jaume
Published: June 2005

The synthesis and study of structural and electronic properties of mono‐ferrocenyl π‐conjugated complexes 5a–d, whose electronic characteristics have been systematically varied by introducing an electron‐donating or electron‐withdrawing substituent either at the 1‐position or at the 4‐position of the 2‐aza‐1,3‐butadiene moiety linked to the ferrocenyl unit, are presented. The structural and electronic properties of the homobimetallic complex 5f, with two ferrocene units linked through the asymmetric and oxidizable 2‐aza‐1,3‐butadiene bridge, is also reported. The crystal structures of complexes 5b, 5d, and 5f show a large degree of conjugation in this family of compounds. Complexes 5 show a rich electrochemical behavior due both to the oxidation of ferrocenyl units and the 2‐aza‐1,3‐butadiene bridge, as revealed by cyclic voltammetry. Radical cations 5+· were prepared from 5 by coulometric oxidations following their generation by absorption spectroscopy. The electronic properties of all reported neutral and oxidized π‐conjugated complexes have been investigated by means of UV/Vis–near‐IR, EPR and 57Fe Mössbauer spectroscopy. The detailed study of mono‐oxidized species 5a+·–5f+· has permitted the determination of the influence of an asymmetric bridge with an electroactive character on the intramolecular electron transfer (IET) phenomenon, thus demonstrating that the 2‐aza‐1,3‐butadiene bridge promotes the IET between the two metallic units of 5f+· through two different pathways. The experimental data and conclusions are supported by DFT computations (B3LYP/3‐21G*) and time‐dependent DFT methods. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Coordination of Li+, Ca+, V+, and Cu+ to the Molecules S8 and S4 –A Computational Study
Authors: Steudel Yana , Wong Ming Wah , Steudel Ralf
Published: June 2005

The complex formation between the Li+ cation and the sulfur homocycle S8 has been studied by ab initio MO calculations at the G3X(MP2) level of theory. Starting with various isomers of S8, the formation of LiS8 heterocycles and clusters is preferred over complexes with a monodentate ligand. The binding energies of the cation in the 23 complexes investigated range from –95 to –217 kJ·mol–1. The global minimum structure of [LiS8]+ is of C4v symmetry with the S8 homocycle in the well‐known crown conformation and four Li–S bonds of length 254.2 pm (binding energy: –156.5 kJ·mol–1). The S–S bonds of the various ligands are slightly weakened by the complex formation and a more or less strong bond length alternation is induced. Relatively unstable isomers of S8 (chair, tub, exo–endo ring, branched rings, triplet chain) are partly stabilized and partly destabilized by complex formation with Li+. The interaction between the cation and the S8 ligands is mainly due to ion–dipole attraction with little to moderate charge transfer (0.04–0.27 electrostatic units). In the four most stable isomers of [LiS8]+, the number of sulfur–sulfur bonds is at a maximum and the coordination number of Li+ is either 4 or 3. Complexes of the type [Li(S4)2]+ are much less stable than isomers with an eight‐atomic ligand. The Li–S bond lengths in all of these complex cations (230–273 pm) depend on the coordination number of Li and on the atomic charge of the donating sulfur atom(s). In contrast to [LiS8]+, the complexes of composition [MS8]+ with M = Ca, V, and Cu are more stable as [M(S4)2]+ than with an eight‐atomic crown‐shaped ligand. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Induction of Columnar Mesomorphism in Tetracoordinated Ionic Silver(I) Complexes Based on Chelate 4,4'‐Disubstituted 2,2'‐Bipyridines
Authors: Pucci Daniela , Barberio Giovanna , Bellusci Anna , Crispini Alessandra , La Deda Massimo , Ghedini Mauro , Szerb Elisabeta Ildyko
Published: June 2005

The reaction of silver triflate (AgOTf) and silver dodecyl sulfate (AgDOS) with two nonmesomorphic 4,4'‐disubstituted 2,2'‐bipyridines, Ln, yielded a series of bis‐chelate ionic silver complexes [Ag(Ln)2]X. Complexation induced columnar mesomorphism in all the silver(I) tetra‐branched bipyridine derivatives and the role of the counterion proved to be crucial in the generation of different symmetries of the mesophase. Remarkably, all silver(I) complexes exhibit emission at room temperature both in solution and in the solid state. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Thermodynamic Study of the Binding of Methyltrioxorhenium with Pyridine and Its Derivatives in Benzene Solution
Authors: Nabavizadeh S. Masoud , Akbari Alireza , Rashidi Mehdi
Published: June 2005

A spectrophotometric study of the interaction of methyltrioxorhenium (MTO) with pyridine and its derivatives in benzene solution has been carried out at various temperatures. The stability constants of the resulting 1:1 complexes were determined by analysis of spectrophotometric data and found to vary in the order 3,4‐Me2Py > 4‐tBuPy > 4‐MePy > 3‐MePy > 4‐BenzylPy > Py > 3‐PhPy > 3‐C(O)OMePy > 3‐ClPy. The enthalpy and entropy of adduct formation were determined from the temperature dependence of the stability constants. All complexes formed were enthalpy stabilized but entropy destabilized. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Formation, Structure, and Reactivity of Gaseous Ni2O2+
Authors: Koszinowski Konrad , Schlangen Maria , Schröder Detlef , Schwarz Helmut
Published: June 2005

The dinuclear metal dioxide Ni2O2+ is prepared by the reaction of gaseous Ni2+ with N2O in a Fourier‐transform ion‐cyclotron‐resonance (FT‐ICR) mass spectrometer. The title compound oxidizes CO, thus proving the catalytic activity of Ni2+ for mediating oxygen‐atom transfer from N2O to CO. Whereas Ni2O2+ does not react with H2 and CH4, it accomplishes C–H bond activation of ethane, propane, and n‐butane. In comparison to the previously studied metal‐oxide clusters Mn2O2+ and Fe2O2+, Ni2O2+ exhibits an enhanced reactivity, which is ascribed to a lower oxygen‐binding energy. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Dinuclear Complexes of MII Thiocyanate (M = Ni and Cu) Containing a Tridentate Schiff‐Base Ligand: Synthesis, Structural Diversity and Magnetic Properties
Authors: Banerjee Suparna , Drew Michael G. B. , Lu Can‐Zhong , Tercero Javier , Diaz Carmen , Ghosh Ashutosh
Published: June 2005

A dinuclear NiII complex, [Ni2(L)2(H2O)(NCS)2]·3H2O (1) in which the metal atoms are bridged by one water molecule and two μ2‐phenolate ions, and a thiocyanato‐bridged dimeric CuII complex, [Cu(L)NCS]2 (2) [L = tridentate Schiff‐base ligand, N‐(3‐aminopropyl)salicylaldimine, derived from 1:1 condensation of salicylaldehyde and 1,3‐diaminopropane], have been synthesized and characterized by IR and UV/Vis spectroscopy, cyclic voltammetry and single‐crystal X‐ray diffraction studies. The structure of 1 consists of dinuclear units with crystallographic C2 symmetry in which each NiII atom is in a distorted octahedral environment. The Ni–O distance and the Ni–O–Ni angle, through the bridged water molecule, are 2.240(11) Å and 82.5(5)°, respectively. The structure of 2 consists of dinuclear units bridged asymmetrically by di‐μ1,3‐NCS ions; each CuII ion is in a square‐pyramidal environment with τ = 0.25. Variable‐temperature magnetic susceptibility studies indicate the presence of dominant ferromagnetic exchange coupling in complex 1 with J = 3.1 cm–1, whereas complex 2 exhibits weak antiferromagnetic coupling between the CuII centers with J = –1.7 cm–1. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
New Cadmium(II) and Iron(II) Coordination Frameworks Incorporating a Di(4‐pyridyl)isoindoline Ligand
Authors: Mulyana Yanyan , Kepert Cameron J. , Lindoy Leonard F. , McMurtrie John C.
Published: June 2005

The metal‐directed assembly of molecular frameworks incorporating the ditopic heterocyclic ligand 1‐(4‐pyridyl)imino‐2‐(4‐pyridyl)isoindoline (L) associated with nonlinear coordination vectors, is presented. Two infinite metallo‐arrays of empirical formula [CdL(NO3)2(EtOH)]n·(1.4 H2O)n and [FeL2(NCS)2]n·{(2 CHClCCl2)·(1.4 MeOH)·(2.9 H2O)}n have been characterised. The X‐ray structures of both arrays are reported. The cadmium(II) framework consists of co‐aligned 1D coordinate polymer chains while the iron(II) framework consists of rhombic grids with 2D polymeric connectivity. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Salophan Complexes of Group IV Metals
Authors: Groysman Stanislav , Sergeeva Ekaterina , Goldberg Israel , Kol Moshe
Published: June 2005

The coordination chemistry of tetradentate Salophan ligands with titanium and zirconium alkoxides is described for the first time. Three new Salophan ligand precursors featuring different phenolate substituents (ortho‐Me, ortho,para‐di‐Cl, ortho,para‐di‐tBu) were synthesized in addition to the known prototypical Salophan precursor, by a sequence of condensation and reduction. All ligand precursors were reacted with the metal alkoxides Ti(OiPr)4 and Zr(OtBu)4. The unsubstituted Salophan led to a complex product mixture for both titanium and zirconium. The methyl‐substituted ligand led to a clean complex only with zirconium, and the other ligands gave well‐defined coordination chemistry with both metals. NMR analysis indicated that these Salophans acted as dianionic ligands, giving rise to hexa‐coordinate complexes of C2‐symmetry. X‐ray analysis of three complexes supported this view, and revealed that the ligands wrapping mode was fac‐fac and that the orientation of the labile groups was cis. A partial hydrolysis of one of the titanium complexes led to a dinuclear bridging oxo complex in which the ligand wrapping mode had changed to fac‐mer, as revealed from its crystal structure. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Genomics at the origins of agriculture, part two
Authors: Armelagos George J. , Harper Kristin N.
Published: June 2005

Agricultural expansion was such a momentous event that cultural or genetic evidence of its impact should be apparent. Abundant evidence indicates that agriculture was introduced into Europe at least 9,000 years ago. The primary issue remains whether agriculture spread by contact or by farmers moving into Europe. If agriculture was brought by farmers moving into foragers' territory, then genetic evidence should be apparent in the genes of modern Europeans. If foragers weredisplaced, then European genetic profiles should reflect the source population from the Near East. If there was interbreeding with the foragers who had a distinct genetic profile, then the genes of the Europeans descendants should reflect this admixture, with a clinal distribution of traits radiating from the Near East. These scenarios have been the focus of decades of debates between anthropologists and geneticists. In addition, genomic studies have been applied to pathogens in order to explore the link between agriculture and infectious disease.
To bde or not to bde: Sex and the bdelloid rotifer
Authors: Weiss Kenneth M.
Published: June 2005

Most species eventually end up having sex, but not the bdelloids, and in pondering what lies beyond what we can see in evolution, there's the rub.
The relationship between family and employment outcomes
Authors: Perna Laura
Published: June 2005

Institutional leaders should consider the consequences of policies, practices, and social forces that force women to choose between work and family.
Career paths for women faculty: Evidence from NSOPF:99
Authors: Martin Conley Valerie
Published: June 2005

If career experiences of women academics are significantly different from those of men, analysts of gender equity need to take those differences into account.
Work/family policies in higher education: Survey data and case studies of policy implementation
Authors: Hollenshead Carol S. , Sullivan Beth , Smith Gilia C. , August Louise , Hamilton Susan
Published: June 2005

Universities reported that when work/family policies were used, they often inspired loyalty and a sense of community among faculty.
The glass ceiling and the maternal wall in academia
Authors: Williams Joan C.
Published: June 2005

Mothers get caught between the prescriptive image of the ideal worker and the prescriptive image of the ideal mother.
Wiki: A speedy new tool to manage projects
Authors: Bean LuAnn , Hott David D.
Published: June 2005

The word “wiki‐wiki” means “quick” in Hawaiian. And “wikis”—real‐time, editable Web sites—are the latest tools for managing projects in our fast‐paced world. The authors explain how wikis work and the pros and cons of using them. Will they change the way we handle information? © 2005 Wiley Periodicals, Inc.
IT planning in the real World
Authors: Benson Robert , Bugnitz Tom , Walton William
Published: June 2005

Information technology (IT) plans are great —until you have to grapple with next year's budget.Then all your careful planning gets tossed out the window. How can you develop an IT investment strategy that reflects real‐world budgets? © 2005 Wiley Periodicals, Inc.
A branched pore kinetic model applied to the sorption of metal ions on bone char
Authors: Ko Danny CK , Cheung Chun Wai , Porter John F
Published: June 2005

A slightly modified form of the branched pore model of Peel, Benedek and Crowe was successfully applied to describe the batch sorption kinetics of three metal ions—cadmium, copper and zinc—on bone char. In comparison with an analytical film‐surface solution, the additional parameters of the branched pore model were observed to produce a significant improvement in correlating the experimental results. The ranges of the values of the model parameters derived were deemed reasonable and the branched pore sorption capacities of two of the three metal ions were comparable (ca 0.16 mmol g−1). Given that the surface diffusivities of the metal ions were observed to vary with averaged surface loading, a number of correlations were examined for their accuracy in describing this behaviour. The exponential expression of Neretnieks resulted in the smallest total error when the data for all three metal ions were considered together. Copyright © 2005 Society of Chemical Industry
Effect of surfactants on the soil desorption of hexachlorocyclohexane (HCH) isomers and their anaerobic biodegradation
Authors: Quintero Juan Carlos , Moreira Maria Teresa , Feijoo Gumersindo , Lema Juan M
Published: June 2005

The extensive utilization of hydrophobic organic compounds (HOCs) such as pesticides generates high environmental pollution levels. Due to their hydrophobicity, this type of compound tends to accumulate in soil organic matter and, thus, soil desorption limits their availability for microbial degradation. The use of surfactants may increase the pollutant's desorption from the soil. One of the pesticides with strong sorption characteristics is hexachlorocyclohexane (HCH), a mixture of isomers: α‐, β‐, γ‐ and δ‐HCH. In this work, we evaluated the use of three surfactants, Triton X100, Tween 80 and sodium dodecyl sulfate (SDS), on the HCH desorption from a sandy loam soil. The effects of the addition of these surfactants on anaerobic biodegradation were studied. To attain this purpose, different assays were performed to evaluate both effects. Triton X100 exerted the best desorption of HCH isomers, followed by Tween 80, whereas SDS caused no significant desorption of the isomers. Triton had a strong inhibitory effect on the HCH biodegradation, while Tween 80 did not decrease the degradation rates of the different isomers. Moreover, the degradation rates of β‐ and δ‐HCH were significantly enhanced (around 10%). On the other hand, detrimental effects on the biodegradation rates and yields were due to the ageing of the soil, depending on the period of exposure of the soil to the pollutant. Copyright © 2005 Society of Chemical Industry
Microglial cell activation and proliferation precedes the onset of CNS autoimmunity
Authors: Ponomarev Eugene D. , Shriver Leah P. , Maresz Katarzyna , Dittel Bonnie N.
Published: June 2005

Microglial cells are central nervous system (CNS) resident cells that are thought to become activated and contribute to the inflammation that occurs in the human autoimmune disease multiple sclerosis (MS). This has never been proven, however, because microglial cells cannot be phenotypically distinguished from peripheral macrophages that accumulate in MS inflammatory lesions. To study the kinetics and nature of microglial cell activation in the CNS, we used the animal model of MS, experimental autoimmune encephalomyelitis (EAE), and induced EAE in bone marrow (BM) chimera mice generated using major histocompatibility complex (MHC)‐mismatched donor BM, allowing the separation of microglial cells and peripheral monocytes/macrophages. We found that microglial cell activation was evident before onset of disease symptoms and infiltration of peripheral myeloid cells into the CNS. Activated microglial cells underwent proliferation and upregulated the expression of CD45, MHC class II, CD40, CD86, and the dendritic cell marker CD11c. At the peak of EAE disease, activated microglial cells comprised 37% of the total macrophage and dendritic cell populations and colocalized with infiltrating leukocytes in inflammatory lesions. Our findings thus definitively demonstrate that during EAE, microglial cells become activated early in EAE disease and then differentiate into both macrophages and dendritic‐like cells, suggesting they play an active role in the pathogenesis of EAE and MS. © 2005 Wiley‐Liss, Inc.
Synthesis of colloidal superparamagnetic nanocomposites by grafting poly(ϵ‐caprolactone) from the surface of organosilane‐modified maghemite nanoparticles
Authors: Flesch C. , Bourgeat‐Lami E. , Mornet S. , Duguet E. , Delaite C. , Dumas P.
Published: June 2005

Superparamagnetic and biodegradable/biocompatible core–corona nanocomposite particles were prepared by ring‐opening polymerization of ϵ‐caprolactone initiated from the surface of maghemite. As was done in a previous work, an aminosilane coupling agent was chosen as the coinitiator and immobilized at the surface of the maghemite particles to allow the growth of the poly(ϵ‐caprolactone) (PCL) chains from the solid surface. Two different catalytic systems based on aluminum and tin alkoxides were investigated. Whatever the catalyst used, diffuse reflectance Fourier transform spectroscopy brought evidence for polymer anchoring through a covalent bond, whereas thermogravimetric analysis attested to the presence of high amounts of PCL around the maghemite. Magnetization measurements proved that the nanocomposites kept their superparamagnetic properties after coating. The polymer contents obtained by this grafting‐from route were compared with the results obtained by a more classical grafting‐to process. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 3221–3231, 2005
Elongation method at restricted open‐shell Hartree–Fock level of theory
Authors: Korchowiec Jacek , Gu Feng Long , Aoki Yuriko
Published: June 2005

Elongation and cutoff elongation methods are described at the restricted open‐shell Hartree–Fock (ROHF) level of theory. Test calculations are performed for polyethylene radicals CH3‐(CH2)N−1 (N = 8, 10, 12, … 40), using minimal (STO‐3G) and valence double‐ζ (6‐31G) basis sets. It is demonstrated that the process of diminishing the variational space in the elongation method does not introduce a large error, and that the error can be controlled by the size of the starting radical. Implementation of the cutoff technique to the elongation method leads to distinct time savings in the self‐consistent field (SCF) process and does not worsen the results. In contrast to full variational space ROHF treatment, the step SCF CPU time in the cutoff elongation calculations appears to saturate to an asymptotic value that permits investigation of large molecular systems. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Alternative splicing regulates the transcriptional activity of Drosophila heat shock transcription factor in response to heat/cold stress
Authors: Fujikake Nobuhiro , Nagai Yoshitaka , Popiel H. Akiko , Kano Hiroki , Yamaguchi Masamitsu , Toda Tatsushi
Published: June 2005

Heat shock transcription factor 1 (HSF1) mediates the induction of heat shock proteins in response to various types of stress. Although HSF1 activity is regulated by its post‐translational modifications, alterations in mRNA expression have also been suggested. We here identified three new alternatively spliced isoforms of Drosophila HSF (dHSF) mRNA, named dHSFb, dHSFc, and dHSFd. We found that the ratio of dHSFb increases upon heat exposure, while that of dHSFd increases upon cold exposure. The dHSFc and dHSFd isoforms showed greater transcriptional activity than the other isoforms. Our findings suggest that alternative splicing regulates the transcriptional activity of dHSF.
Drosophila RET contains an active tyrosine kinase and elicits neurotrophic activities in mammalian cells
Authors: Abrescia Chiara , Sjöstrand Dan , Kjaer Svend , Ibáñez Carlos F.
Published: June 2005

The RET receptor tyrosine kinase controls kidney organogenesis and development of subpopulations of enteric and sensory neurons in different vertebrate species, including humans, rodents, chicken and zebrafish. RET is activated by binding to a ligand complex formed by a member of the glial cell line‐derived neurotrophic factor (GDNF) family of neurotrophic factors bound to its cognate GFRα GPI‐linked co‐receptor. Despite the absence of GDNF or GFRα molecules in the Drosophila genome, a RET orthologue (dRET) has recently been described in this organism and shown to be expressed in subpopulations of cells of the excretory, digestive and nervous systems, thus resembling the expression pattern of RET in vertebrates. In this study, we report on the initial biochemical and functional characterization of the dRET protein in cell culture systems. Full‐length dRET could be produced in mammalian and insect cells. Similar to its human counterpart (hRET), overexpression of dRET resulted in its ligand‐independent tyrosine phosphorylation, indicating that it bears an active tyrosine kinase. Unlike hRET, however, the extracellular domain of dRET was unable to interact with mammalian GDNF and GFRα1. Self association between dRET molecules could neither be detected, indicating that dRET is incapable of mediating cell adhesion by homophilic interactions. A chimeric molecule comprising the extracellular domain of hRET and the kinase domain of dRET was constructed and used to probe ligand‐mediated downstream activities of the dRET kinase in PC12 cells. GDNF stimulation of cells transfected with the hRET/dRET chimera resulted in neurite outgrowth comparable to that obtained after transfection of wild‐type hRET. These results indicate significant conservation between the biological effects elicited by the human and Drosophila RET kinases, and suggest functions for dRET in neuronal differentiation in the fly.
Automatable Formats of Higher Throughput ADMET Profiling for Drug Discovery Support
Authors: Kaplita Paul V. , Hu Hanbo , Liu Lisa , Farrell Thomas M. , Grbic Heather , Spero Denice M.
Published: June 2005

An evolving union of high throughput screening (HTS) and absorption, distribution, metabolism, excretion, and toxicology (ADMET) technologies have transformed drug discovery. Human tissue-based, in vitro ADMET assays can efficiently generate reliable profiles for structure-activity or structure-property relationships of compounds from screening “hit sets” or libraries. The process of identifying discovery compounds with desirable “druglike” properties has consequently become increasingly data-driven. Chemists and biologists initiate the process by submitting requests to our laboratory through an intranet database. A Caco-2 cell model, automated on a Tecan Genesis workstation, evaluates the intestinal absorption of drug candidates. Distribution properties are determined with a high-throughput equilibrium dialysis technique for measuring plasma protein binding. Drug metabolism can be evaluated on a Genesis workstation via measurements of metabolic stability in liver microsomes. Drug-drug interactions can be predicted with HTS techniques using human recombinant hepatic CYP450 isoforms. A Genesis workstation, integrated with a fluorescence plate reader, executes CYP450 inhibition assays. Cell toxicity assays using human hepatocytes can serve as early, high-throughput indicators of potential systemic drug toxicity. The early availability of ADMET profiling data can now enable discovery scientists to quickly evaluate the factors that influence the pharmacodynamic and pharmacokinetic properties of compounds in lead optimization.
Purifying Genomic DNA from Plant Tissue on Automated High-Throughput and Moderate-Throughput Platforms
Authors: Koller Susan , Shenoi Hemanth , Bitner Rex
Published: June 2005

We describe automated methods for purifying genomic DNA from plant tissue. The Wizard Magnetic 96 Plant System uses MagneSil paramagnetic particles (PMPs) in a 96-well format to purify sufficient DNA for polymerase chain reaction (PCR)-based plant genotyping. The system can be scaled up for high yield to provide genomic DNA for large numbers of PCR-based tests or archiving. In contrast, the MagneSil ONE Fixed Yield System uses MagneSil ONE PMPs to purify a fixed amount of ultraclean DNA for high sensitivity in Third Wave Technology Invader single nucleotide polymorphism (SNP) Genotyping assays. These methods may be implemented on Beckman Coulter Biomek automated workstations.
Modular Semi-Automatic System for the Detection of PrPSc using the Prionics CheckLIA BSE Rapidtest
Authors: Sindt Ole , Drauschke Jörg
Published: June 2005

In Germany, all slaughtered cattle and fallen stock above the age of 24 months are required to be tested for bovine spongiform encephalopathy (BSE). Due to short turnaround times and urgent economic demand for fast results in the slaughterhouses, a highly reliable and fast-running system is needed. Using the Prionics (Prionics AG, Schlieren, Switzerland) CheckLIA Rapidtest, a modular system was installed that has processed over 245,000 samples since February 2004. Test runs averaged 340 min per batch of 240 samples. The rate of initial reactive results was 1.95 in 1000 samples.
Extraction and partial characterization of a coagulant preparation from Silybum marianum flowers. Its action on bovine caseinate
Authors: Vairo-Cavalli Sandra , Claver Santiago , Priolo Nora , Natalucci Claudia
Published: June 2005

An outstanding parameter in cheese making is the type of coagulant, which greatly influences the characteristics of the final products. Proteolysis is the most important set of biochemical changes during ripening of most cheeses, and is carried out, in different magnitude, by proteolytic agents originated in milk, rennet (or rennet substitute), and starter and non-starter micro-organisms (Silva & Malcata, 2000). The demand for alternative sources of milk coagulants, to replace the expensive and limited natural rennet supplies, has increased (Esteves et al. 2001). All commercial enzymes employed as milk coagulant are aspartic proteinases, which are most active at acidic pH and preferentially cleave peptide bonds between residues with hydrophobic side-chains (Silva & Malcata, 1999).
Visual scoring of milk mixed with blood
Authors: Rasmussen Morten D , Bjerring Martin
Published: June 2005

Sorting of normal and abnormal milk at time of milking is done visually for conventional milking systems, but more concrete standards are needed when milking is done in automatic milking systems (AMS). Several panel tests were carried out to find out how different consumer groups, milkers and advisors look at and respond to the visual appearance of milk mixed with blood, in order to set a limit for what they think is acceptable. It is concluded from the test panel results that milk samples with 0·4% or more of blood all will be scored as pink and samples with 0·1% blood (about 6 μM-haemoglobin or 100 mg/l) can be visually detected if they are compared with milk samples without blood. The consumer group scored fewer of the samples with 0·1% blood as normal than did the professional groups. The test panel scored 65% of the samples with 1% blood as normal when milk was presented in a black strip cup, which is the reference method when foremilking takes place in a conventional parlour. Only 2% of the milk samples with 2% blood (about 120 μM-haemoglobin or 2000 mg/l) were scored as normal in a black strip cup and should consequently be detected by conventional as well as automatic systems. One model of AMS was tested for its ability to detect and separate milk coloured by blood. The model separated milk with [ges ]6 μM-haemoglobin. Milk mixed with blood injected into the milk stream for a short time at the beginning of milking was not separated. We lack data on how blood is naturally expelled into milk and in what amount. We propose that cow composite milk with >6 μM-haemoglobin should be separated because at this level milk will have a red tinge.
Effect of forage conservation method, concentrate level and propylene glycol on the fatty acid composition and vitamin content of cows' milk
Authors: Shingfield Kevin J , Salo-Väänänen Pirjo , Pahkala Eero , Toivonen Vesa , Jaakkola Seija , Piironen Vieno , Huhtanen Pekka
Published: June 2005

Based on potential health benefits, there is a need to develop effective strategies for enhancing milk fat concentrations of cis-9 18[ratio ]1, 18[ratio ]3 n-3 and conjugated linoleic (CLA) content in milk without compromising the sensory or storage characteristics of processed milk or dairy products. Sixteen Finnish Ayrshire dairy cows were used in a cyclic change-over experiment with four 21-d experimental periods and a 4×2×2 factorial arrangement of treatments to evaluate the effects of forage conservation method, concentrate level and supplements of propylene glycol (PG), and their interactions on milk fatty acid composition and vitamin content. Experimental treatments consisted of four conserved forages offered ad libitum, supplemented with two levels of a standard concentrate (7 or 10 kg/d) and PG (0 and 210 g/d) fed as three equal meals. Primary growths of timothy and meadow fescue sward were conserved by ensiling with none (NA), an inoculant enzyme preparation (IE) or a formic acid based (FORM) additive or as hay 1 week later. Conservation of grass by drying rather than ensiling resulted in lower forage 18[ratio ]2n-6, 18[ratio ]3n-3, total fatty acid and fat-soluble vitamin concentrations. In spite of lower intakes, milk fat 18[ratio ]2n-6 and 18[ratio ]3n-3 content was higher (P<0·05) for hay than for silage diets (12·1, 9·6, 9·6 and 9·3 and 5·00, 3·51, 4·27 and 2·93 g/kg total fatty acids, for hay, NA, IE and FORM silages, respectively). Forage conservation method had no clear effects on milk trans 18[ratio ]1 or CLA content. Compared with silage, hay diets resulted in milk containing lower (P<0·001) riboflavin, α-tocopherol and β-carotene concentrations, but had no effect on ascorbic acid, thiamine, pyridoxine or retinol content. Feeding more concentrates had no effect on milk fatty acid composition or milk vitamin content, other than lowering (P<0·001) 16[ratio ]0 concentrations from 348 to 338 g/kg fatty acids. Supplements of PG led to small (P<0·05) increases in milk 13[ratio ]0 anteiso and 15[ratio ]0 content from 1·06 and 11·3 to 1·22 and 12·6 g/kg fatty acids and reduced (P<0·05) the concentrations of ascorbic acid (16·1 v. 15·1 g/kg milk).
Ultrasonographic measurement of the bovine teat: breed differences, and the significance of the measurements for udder health
Authors: Klein Daniela , Flöck Martina , Lorenz Khol Johannes , Franz Sonja , Peter Stüger Hans , Baumgartner Walter
Published: June 2005

The objective was to measure teat canal length and diameter, teat diameter and teat wall thickness by ultrasonographic scanning in order to determine the differences in bovine breeds, and to study the influence of teat canal length and diameter on the occurrence of mastitis. A total of 269 lactating dairy cows of four different breeds (Brown Swiss, Simmental, Simmental crossbred with Red Pied, and Holstein-Friesians) from seven Upper Austrian dairy farms were examined. Average teat canal length of Brown Swiss animals was shortest (15·7 mm) followed by Holstein-Friesians (17·2 mm) and Simmental (18·3 mm). These differences in teat canal length were highly significant (P[les ]0·001). There was no significant difference in teat canal length between pure-bred and crossbred Simmentals. Differences of teat canal diameter between breeds were significant (P[les ]0·05). Brown Swiss animals had the largest diameters (2·0 mm) and Holstein-Friesians the smallest (1·7 mm). Differences in teat diameter between Brown Swiss, Holstein-Friesian and Simmental were also significant. No differences were found between the pure-bred and crossbred Simmental cows. The narrowest teats were in Holstein-Friesians and the widest in Simmental. Holstein-Friesians also exhibited the thinnest teat walls while the Simmental had the thickest ones. Teat canal length and diameter were correlated with udder health. Teat canals of healthy udders tended to be longer (17·4 mm) and narrower (1·8 mm) than teat canals of infected udders (15·8 mm, 2·1 mm; P[les ]0·001). A logistic regression model showed significant effects of teat canal length, teat canal diameter and lactation number on udder health.
The manufacture of miniature Cheddar-type cheeses from milks with different fat globule size distributions
Authors: O'Mahony James A , Auty Mark AE , McSweeney Paul LH
Published: June 2005

A novel 2-stage gravity separation scheme was developed for fractionation of raw, whole bovine milk into fractions enriched in small (SFG) or large (LFG) fat globules. The volume mean diameter of fat globules in SFG, LFG or control (CTRL) milk was 3·45, 4·68 and 3·58 μm, respectively. The maximum in storage modulus (index of firmness) decreased with increasing fat globule size for rennet-induced gels formed from SFG, LFG or CTRL milks. Miniature (20 g) Cheddar cheeses were manufactured using each of the 3 milks. There were no significant (P>0·05) differences in the pH, moisture and fat in dry matter levels between cheeses made using any of the 3 milks, however, the fat content of the cheese made using SFG milk was ~1% lower than that of cheese made using LFG or CTRL milk in each of the 2 trials. Image analysis of confocal scanning laser micrographs of the cheeses illustrated that the star volume of fat globules in the cheeses decreased significantly (P[les ]0·05) as the size of fat globules in the milks used for cheesemaking was reduced. This indicates that it is possible to manipulate the size distribution of fat globules in Cheddar cheese by adjusting the fat globule size distribution of the milk used for cheesemaking. The concentration of free fatty acids (FFA) increased in all cheeses during ripening. At 120 d of ripening, the concentration of FFA varied significantly (P[les ]0·05 and P[les ]0·001 for trials 1 and 2, respectively) with fat globule size, with cheeses made in trial 2 from LFG, SFG or CTRL milks having total FFA levels of 3391, 2820 and 2612 mg/kg cheese, respectively.