bluuebunny/crossref_metadata_2025_split huggingface dataset:
Denaturation of metalloproteins with EDTA to facilitate enzymatic digestion and mass fingerprinting
Authors: Janecki Dariusz J. , Reilly James P. 
Published: April 2005

AbstractMetal ions bound to a protein often stabilize tertiary and/or quaternary structure. Consequently, the digestion of metalloproteins that precedes analysis by matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry is frequently incomplete. It is demonstrated that ethylenediaminetetraacetic acid (EDTA) successfully destabilizes metalloprotein structure and thereby facilitates tryptic digestion and protein identification. Copyright © 2005 John Wiley & Sons, Ltd.
Vertical gradients of δ15N and δ18O in soil atmospheric N2O—temporal dynamics in a sandy soil
Authors: Van Groenigen Jan Willem , Zwart Kor B. , Harris David , van Kessel Chris 
Published: April 2005

AbstractThe greenhouse gas nitrous oxide (N2O) can be both formed and consumed by microbial processes in the soil. As these processes fractionate strongly in favour of 14N and 16O, δ15N and δ18O gradients of N2O in the soil profile may elucidate patterns of N2O formation, consumption or emission to the atmosphere. We present the first in situ data of such gradients over time for a mesic typic Haplaquod seeded with potatoes (Solanum tuberosum L.). On two adjacent fields in 2002 and 2003, topsoil N2O fluxes were measured and the soil atmosphere was regularly sampled for N2O concentrations, δ15N and δ18O signatures of N2O at depths of 18, 48 and 90 cm during ∼400 days. During the entire sampling period, the N2O concentrations were the highest and the δ15N signatures the lowest in the subsoil (48 or 90 cm depth) as compared with the topsoil, indicating production of N2O in the subsoil. For δ15N, differences greater than 30‰ between topsoil and subsoil on the same date were regularly observed. The highest N2O concentration of 100385 μL m−3 at 90 cm depth on 1 July 2003, was preceded by the lowest δ15N value of −43.5‰ one week earlier. This was followed by a 150‐day general decrease of N2O concentrations at 90 cm depth to 1723 μL m−3 and a simultaneous enrichment of δ15N to +7.1‰, mostly without a significant topsoil flux. There was a negative logarithmic relationship between N2O concentration at 90 cm depth and its δ15N signature. This relationship indicated a δ15N signature of −40 to −45‰ during the production of N2O in the subsoil, and a subsequent enrichment during the consumption of N2O. We conclude that the isotopic signature of the N2O topsoil flux is the result of various processes of consumption and production at different depths in the soil profile. It is therefore not a reliable estimator for the overall δ15N signature of N2O in the soil atmosphere, nor for indirect losses of N2O to the environment. Therefore, these findings will pose a further challenge to ongoing efforts to draw up a global isotopic budget for N2O. Copyright © 2005 John Wiley & Sons, Ltd.
B5C5 Anionic Molecules Trapped in a Solid Matrix: The Crystal and Electronic Structures of LaBC
Authors: Babizhetskyy Volodymyr , Mattausch Hansjürgen , Gautier Régis , Bauer Josef , Halet Jean‐François , Simon Arndt 
Published: April 2005

AbstractThe crystal structure of LaBC, prepared by arc melting of mixtures of the pure elements and subsequent annealing at 1000 °C, has been determined from single crystal X‐ray diffraction data. It crystallizes in a new structure type with the orthorhombic space group P212121 (a = 8.646(1), b = 8.691(1), c = 12.479(1) Å, R1 = 0.021 (wR2 = 0.057) for 4437 reflections with Io > 2σ(Io)). Its structural arrangement consists of a three‐dimensional framework of lanthanum atoms resulting from the stacking of slightly corrugated two‐dimensional square nets, leading to voids filled with B5C5 finite chains. Isostructural compounds are formed with Ce, Pr, Nd and Sm. Structural and theoretical analysis suggests a formulation as (La5)8.3+(B5C5)8.3−. Density functional theory calculations reveal significant covalent bonding between the metal atom framework and the boron carbon chains.
Mg1−xRhB ‐ a New Boridometallide with 2D Polyanion
Authors: Alekseeva A. M. , Abakumov A. M. , Leithe‐Jasper A. , Schnelle W. , Prots Yu. , Hadermann J. , Van Tendeloo G. , Antipov E. V. , Grin Yuri 
Published: April 2005

AbstractA new magnesium boridometallide Mg1−xRhB has been prepared by reaction of the elements in an argon‐filled sealed Ta container at 1323 K. A narrow homogeneity range (0.05 ≤ × ≤ 0.08) was established by X‐ray powder diffraction data and EDXS investigations. The crystal structure of Mg1−xRhB (x = 0.05) was solved using single‐crystal X‐ray diffraction data and confirmed by electron diffraction and high‐resolution electron microscopy (space group P6222, a = 5.2394(1), c = 9.4251(3) Å, Z = 6, 228 reflections, 19 variables, R(F) = 0.025). The structure can be topologically described as a derivative of the CeCo3B2 structure type where the positions in the cobalt layers are occupied by magnesium and rhodium atoms in an ordered manner. From the bonding analysis using the electron localization function, Mg1−xRhB is described as a two‐dimensional [RhB] polyanion with embedded magnesium cations. The material is weakly diamagnetic and reveals metallic electrical conductivity.
Coordination Polymers that Contain Accessible Metal Centres ‐ Synthesis and Structure of a Nickel Cluster Connected Porphyrin Network
Authors: Kempe Rhett 
Published: April 2005

AbstractA porous nickel porphyrin coordination polymer was prepared via solvothermal synthesis starting from 5,10,15,20‐tetrakis‐(4‐carboxyphenyl)‐21H,23H‐porphine and Ni(NO3)2·6H2O. The product was characterized by single crystal X‐ray diffraction and elemental analysis. Space group: ${\rm P}{\bar 1}$, triclinic, a = 9.817(2), b = 15.465(3), c = 17.928(3) Å, α = 94.14(1), β = 103.30(1), γ = 97.77(1)°, V = 2609.4(9) Å3, Z = 2, R = 0.079, wR2 (all data) = 0.225. The structure determination revealed the porous coordination polymer:a) to be a nickel cluster connected porphyrin 3‐D network, which can provide up to six coordination sites per cluster unit after removal of the labile bound water ligands andb) to have two types of channels of the dimensions [atom to atom distances] of 18 × 6 and 13 × 6Å2.
Tri‐n‐Butyl‐Phosphan‐Silber(I)‐Komplexe mit Carboxylat‐, Troponolat‐ bzw. N‐Hydroxyphthalimid‐Teilstrukturen; Synthese und Verwendung als Spin‐On‐Precursoren
Authors: Jakob A. , Schmidt H. , Walfort B. , Rheinwald G. , Frühauf S. , Schulz S. , Gessner T. , Lang H. 
Published: April 2005

AbstractTri‐n‐Butyl‐Phosphane Silver(I) Complexes with Carboxylate‐, Tropolonate‐ or N‐Hydroxyphthalimide Building Blocks; Synthesis and their Use as Spin‐on PrecursorsTreatment of AgNO3 (1) with one equivalent of HX (2a, X = trop; 2b, X = phthal; trop = troponolate; phthal = N‐hydroxy‐phthalimide anion) in presence of NEt3 affords the silver(I) salts [AgX] (3a, X = trop; 3b, X = phthal) in quantitative yield. When instead of 2a and 2b oxalic acid (4a) or quadratic acid (1,2‐dihydroxycyclobutene‐3,4‐dione) (4b) are reacted with 1 under similar reaction conditions, then the corresponding disilver salts [Ag2E] (5a, E = ox; 5b, E = quad; ox = oxalate; quad = quadratic acid dianion) are accessible in excellent yield.The reaction of 3 and 5 with m equivalents of nBu3P (6) produces the phosphane silver(I) complexes (nBu3P)mAgX (m = 1: 7a, X = trop; 7b, X = phthal; m = 2: 8a, X = trop; 8b, X = phthal) and (nBu3P)mAg‐E‐Ag(PnBu3)m (m = 1: 9a, E = ox; 9b, E = quad; m = 2: 10a, E = ox; 10b, E = quad; m = 3: 11a, E = ox; 11b, E = quad), which can be isolated after appropriate work‐up as colourless (9–11), yellow (7a, 8a) or red‐purple (7b, 8b) species.The solid‐state structures of 7b and 9a are reported. Complex 7b exists of two (nBu3P)Ag(phthal) units in which the oxygen atoms of the N‐hydroxyphthalimide anions are μ‐bridging both silver atoms. The thus formed 4‐membered Ag2O2 cycle is planar and the silver atoms show the coordination number 3. Complex 9a exhibits a planar dinuclear structure with the anticipated oxalate building block in a μ‐1,2,3,4 bridging mode. As typical for 7b also for 9a a tricoordinated silver(I) ion is present, whereby the phosphanes act as neutral capping ligands.The thermal behaviour of selected species (7b, 8b, 9a, 10a, 11a and 11b) was studied by applying thermogravimetry. The decomposition of the latter complexes starts between 100–160 °C and is completed in the region of 350–400 °C. One – four decomposition steps are typical. The decomposition of 9a was studied in detail. Elimination of nBu3P occurs at first, while loss of CO2 from in‐situ generated [Ag2ox] gives elemental silver. For that reason, 9a was used as spin‐on precursor in the deposition of silver on TiN‐coated oxidized silicon wafers. REM studies showed that closed and homogeneous silver layers were formed. The resistivity was determined to 3.4 μΩcm.
Synthese und Kristallstrukturen von PrSe2 und NdSe2
Authors: Doert Thomas , Graf Christian 
Published: April 2005

AbstractSynthesis and Crystal Structures of PrSe2 and NdSe2Crystals of PrSe2 and NdSe2 can be made by chemical transport reactions starting from pre‐annealed powders (800 – 600 °C, 2 weeks, I2 as transport agent). Both compounds adopt the CeSe2‐type structure. They crystallize in the monoclinic space group P21/a with four formula units and lattice parameters of a = 8.396(2) Å, b = 4.184(1) Å, c = 8.431(2) Å, and β = 90.08(4)° (PrSe2) and a = 8.352(2) Å, b = 4.164(1) Å, c = 8.412(2) Å, and β = 90.00(3)° (NdSe2), respectively. The crystal structures consist of puckered double layers of Ln and Se atoms and planar Se layers stacked in an alternating way along the crystallographic c axis. The Se atoms of the planar layers form diselenide dumb‐bells , which are arranged in a herringbone‐like pattern. The Se–Se distances in the Se‐dimers are 2.467(1) Å in PrSe2 and 2.476(1) Å in NdSe2.
Silver‐Hydrogen Interactions in Crystalline Silver Dodecahydrododecaborates
Authors: Volkov Oleg , Hu Chunhua , Paetzold Peter 
Published: April 2005

AbstractThe syntheses and structures of the three silver dodecahydrododecaborates: AmAgB12H12, Am(AgL)2Ag(B12H12)2, and (AgL)2B12H12 (Am = benzyltriethylammonium, NBzlEt3; L = acetonitrile) are presented. The silver cations are connected to the B12H122− cages by single or double hydrogen bonds to give chains, layers, or a three‐dimensional connection, respectively. For comparison, it is also reported on the syntheses and structures of the dodecabromododecaborates (AgL′)2B12Br12 (L′ = acetone) and Am2B12Br12.
M4N2Te3 (M = La – Nd): Die ersten Nitridtelluride der dreiwertigen Lanthanide
Authors: Lissner Falk , Schleid Thomas 
Published: April 2005

AbstractM4N2Te3 (M = La – Nd): The First Nitride Tellurides with Trivalent LanthanidesThe oxidation of the light lanthanides (M = La – Nd) with tellurium and sodium azide (NaN3) in the presence of the corresponding trichlorides (MCl3) yields the first nitride tellurides of the lanthanides with the composition M4N2Te3 when appropriate molar ratios of the reactants are used. Additional sodium chloride (NaCl) as a flux secures complete and fast reactions (7 d) at 900 °C in evacuated silica tubes as well as the formation of black single crystals. The orthorhombic crystal structure (Pnma, Z = 4) was determined from single crystal X‐ray diffraction data for La4N2Te3 (a = 746.58(6), b = 1184.16(9), c = 1160.71(9) pm), Ce4N2Te3 (a = 739.26(6), b = 1169.73(9), c = 1148.04(9) pm), Pr4N2Te3 (a = 734.75(6), b = 1163.82(9), c = 1139.53(9) pm), and Nd4N2Te3 (a = 730.61(6), b = 1159.57(9), c = 1131.46(9) pm). Three crystallographically different M3+ cations are present, two of them (M1 and M2) reside in sixfold coordination of two N3− and four Te2− anions forming trigonal prisms. The third cation (M3) is coordinated by two N3− and five Te2− in the shape of a monocapped trigonal prism. However, the main feature of the crystal structure comprises N3−‐centred (M3+)4 tetrahedra which are connected via trans‐edges to build up one‐dimensional infinite chains {[NM]3+} (e = edge‐sharing). These chains, caused by a significant tilting of the single tetrahedra relative to each other, are not stretched to ideal linearity, so a doubled repetition period compared to the single one (≈ two edge lengths of a tetrahedron) is necessary. They get bundled along [010] like a hexagonal rod packing and held together by two crystallographically different Te2− anions. Further motifs for the interconnection of [NM4]9+ tetrahedra in crystal structures of nitride chalcogenides and halides of the rare‐earth elements (M = Sc, Y, La; Ce – Lu) with ratios of N : M = 1 : 2 are presented and discussed for comparison.
Zum chemischen Transport und zur Kristallstruktur von Seltenerdarsenaten(V)
Authors: Schmidt Marcus , Müller Ulf , Cardoso Gil Raul , Milke Edgar , Binnewies Michael 
Published: April 2005

AbstractChemical Vapour Transport and Crystal Structure of Rare‐Earth Arsenates(V)Crystals of a series of rare‐earth arsenates(V) REAsO4 (RE = Sc, Y, La–Nd, Sm–Lu) and mixed crystals of selected composition were obtained by endothermic chemical transport with TeCl4 as a transport medium. The gaseous phase of the transport reaction has been studied using mass spectrometry. The crystal structures of LaAsO4 and NdAsO4 (space group: P21/n (No. 14); Pearson symbol: mP24) as well as of HoAsO4 and ScAsO4 (space group: I41/amd (No. 141); Pearson symbol: tI24) were refined from single crystal X‐ray diffraction data.
NH4Cd(H2O)2(BP2O8)·0.72H2O: a New Borophosphate with Abnormal Structure Changes Caused by Hydrogen Interactions
Authors: Ge Ming‐Hui , Liu Wei , Chen Hao‐Hong , Li Man‐Rong , Yang Xin‐Xin , Zhao Jing‐Tai 
Published: April 2005

AbstractA new borophosphate NH4Cd(H2O)2(BP2O8)·0.72H2O has been synthesized under mild hydrothermal conditions. The crystal structure was characterized by single crystal X‐ray diffraction method. Crystal Data: Hexagonal, P65 (No.176), a = 9.6978(16) Å, c = 16.026(4) Å, V = 1305.3(4) Å3, Z = 6, R1 = 0.0256 and wR2 = 0.0665 for 1409 observed unique reflections and 146 variables. The structure is characterized by corner‐sharing PO4 and BO4 tetrahedra, leading to infinite helical {[BP2O8]3−} ribbons, which are connected by CdO4(H2O)2 coordination octahedra. Nevertheless, the structure reveals significant difference from its other ammonium containing analogues with respect to the occupations of NH4+ and the metal cation. The abnormal changes of the unit cells comparing with cadmium borophosphates with other counter cations were presumably due to the anisotropic hydrogen bonds along the c‐axis or on the ab‐plane. Its UV‐Vis fluorescence property was investigated for the first time.
Polar [NbOCl3]2n and [NbOX4−]n (X = Cl, Br) Chains in the Structures of NbOCl3 and the Thallium‐Halogenooxoniobates Tl[NbOCl4] and Tl[NbOBr4] ‐ Synthesis, Crystal Structures and Optical Second Harmonic Generation
Authors: Beck Johannes , Bordinhão Jairo 
Published: April 2005

AbstractThe reactions of thallium(I)halides TlCl and TlBr with Nb2O5 and NbCl5, and NbBr5, respectively, under the conditions for chemical vapour transport in closed evacuated ampoules in a temperature gradient from 350 °C to 300 °C give yellow Tl[NbOCl4] and red Tl[NbOBr4] in 50 % yield. The crystal structures (Tl[NbOCl4]: orthorhombic, Pbca, a = 1259.9(1), b = 791.9(1), c = 1506.9(1) pm; Tl[NbOBr4]: monoclinic, C2, a = 1304.9(3), b = 402.7(3), c = 770.6(3) pm, β = 108.150(3)) are built of linear chains of associated [NbOX4−]n (X = Cl, Br) ions and of Tl+ ions located between the chains. The individual square‐pyramidal [NbOX4−] ions are linked by asymmetric O···Nb–O bridges. The Tl+ ions are coordinated by halogen atoms in form of strongly distorted square antiprisms for X = Cl, and in form of cubes for X = Br. The two structures are not isotypic even though they are made up of analogous building units. The centrosymmetry of the Tl[NbOCl4] structure causes the polar chains to run in opposite directions. The structure of Tl[NbOBr4] is acentric and the polar [NbOBr4−]n chains all point into the same direction. An optical second harmonic generation experiment confirmed the recently performed redetermination of the structure of NbOCl3 (Stroebele, Meyer 2002). NbOCl3 crystallizes acentric with analogously polar [Nb2O2Cl6]n chains.
[ClBe{MeN(CH2CH2NMe2)2}]+Cl− ‐ ein kationischer Berylliumkomplex
Authors: Neumüller Bernhard , Dehnicke Kurt 
Published: April 2005

Abstract[ClBe{MeN(CH2CH2NMe2)2}]+Cl− ‐ a Cationic Beryllium ComplexBeryllium(II)chloride reacts with N,N,N′,N″,N″‐pentamethyldiethylentriamine (PMDETA) in dichloromethane suspension to give the cationic complex [ClBe{MeN(CH2CH2NMe2)2}]+Cl− (1), which crystallizes with one equivalent of CH2Cl2. 1 is characterized by IR spectroscopy and by X‐ray single crystal structure analysis. 1·CH2Cl2: Space group P21, Z = 2, lattice dimensions at 193 K: a = 696.2(1), b = 1107.7(2), c = 1113.4(1) pm, β = 98.20(1)°, R1 = 0.0355.
Normal patterns of flow in the superior caval, hepatic and pulmonary veins as measured using Doppler echocardiography during childhood
Authors: Ayabakan Canan , Özkutlu Süheyla 
Published: April 2005

To date, no reference values have been provided for right and left atrial filling in normal children. The aim of our study, therefore, was to characterize measurements of superior caval, hepatic, and pulmonary venous flow using Doppler echocardiography in a large group of normal children to reflect the effects of age, body mass index, sex, heart rate and respiration.Doppler echocardiographic examinations of the superior caval, hepatic and pulmonary veins were performed during inspiration and expiration in 72 healthy children with a mean age of 6.73 ± 5.10 years. The subjects were segregated into four age groups, namely infants <2 years, preschool children between the ages of 2 and 7 years, children of school age between 7 and 11 years, and adolescents older than 11 years.Age has significant effect on the systolic and reverse atrial flows within the superior caval vein (p < 0.05). No change in the Doppler velocities was observed related to body mass index or sex. All peak systolic velocities decreased significantly during expiration (p < 0.05). This decrease was most prominent in the hepatic vein (26%), but less remarkable in the superior caval vein (5.7%) and the pulmonary veins (3.9%). During expiration, the peak diastolic flow in the superior caval and the hepatic veins decreased, while the reverse atrial flow in the hepatic vein increased (p < 0.05). Pulmonary venous velocities were similar in all age groups (p > 0.05). Except for the systolic pulmonary venous velocities, these parameters were not influenced by respiration (p > 0.05). The diastolic time, the interval between reverse atrial flow and ventricular systole reflected by the R wave on the electrocardiogram, and the interval between ventricular systole and diastolic flow, were negatively correlated with heart rate (p < 0.05; r = −0.35, −0.85, and −0.8 respectively), and positively correlated with age (p < 0.05; r = 0.3, 0.8, and 0.7 respectively). They were not influenced by respiration.Our study provides data of the patterns and the normal ranges of velocities of superior caval, hepatic, and pulmonary venous flow in a series of normal children. The results can now be used for comparison with the patterns found in the setting of disease.
Effects of amantadine and budipine on antidepressant drug‐evoked changes in extracellular 5‐HT in the frontal cortex of freely moving rats
Authors: Owen Jenny C E , Whitton Peter S 
Published: April 2005

Evidence has recently suggested that NMDA receptors may play a role in the aetiology and possible treatment of depression and that weak noncompetitive NMDA receptor antagonists such as amantadine can synergize with conventional antidepressants in a model of the illness.
To try to obtain a neurochemical rationale for these findings, we have studied the effects of acute and chronic administration of amantadine or the related drug budipine on cortical release of 5‐hydroxytryptamine (5‐HT) following the antidepressants reboxitine (REB), paroxetine (PAROX) and clomipramine (CLOM) in freely moving rats by using microdialysis.
Acute administration of amantadine (40 mg kg−1), budipine (10 mg kg−1), REB (10 mg kg−1), PAROX (10 mg kg−1) or CLOM (10 mg kg−1) all failed to significantly alter extracellular 5‐HT in the cortex. However, when either amantadine or budipine was administered 30 min prior to any of the three antidepressants, a significant rise in 5‐HT was observed.
For chronic studies, the effects of the drugs were studied at 4, 7, 14 and 21 days. Amantadine and budipine did not significantly alter extracellular 5‐HT at any time point. The three antidepressant drugs all elicited a gradual increase in 5‐HT, which became significant after 14 days and tended to plateau thereafter. When either amantadine (20 mg kg−1) or budipine (5 mg kg−1) was coadministered with any of the three antidepressants, two differences were seen compared with the effects of the antidepressants alone. Firstly, the time required for significant increases in cortical 5‐HT was reduced with elevated levels now being observed by 7 days. Secondly, the absolute magnitude of the increase in extracellular 5‐HT was markedly greater in these rats from day 7 until the end of the experiment.
If, as is widely considered, an increase in extracellular 5‐HT represents a critical step in the mechanism of action of antidepressants, these data suggest that combined treatment with clinically tolerated NMDA antagonists such as amantadine could reduce the delay in therapeutic onset of antidepressants as well as possibly enhance their efficacy.

British Journal of Pharmacology (2005) 145, 587–592. doi:10.1038/sj.bjp.0706188
Determination of the Duration of Preoperative Smoking Cessation to Improve Wound Healing after Head and Neck Surgery
Authors: Kuri Michioki , Nakagawa Masashi , Tanaka Hideo , Hasuo Seiko , Kishi Yoshihiko 
Published: April 2005

Background
Preoperative smoking cessation has been suggested to be effective in reducing various postoperative complications. However, the optimal duration of preoperative smoking cessation for reducing wound complications is unclear.

Methods
One hundred eighty-eight consecutive patients who underwent reconstructive head and neck surgery at the authors' institution were included in this retrospective study. Information on preoperative smoking habits was obtained from the patients' medical records. Smokers were defined as having smoked within 7 days before surgery. Late, intermediate, and early quitters were defined as patients whose duration of abstinence from smoking was 8-21, 22-42, and 43 days or longer before the operation, respectively. Patients who required postoperative debridement, resuture, or reconstruction of their flap before hospital discharge were defined as having had impaired wound healing.

Results
The incidences (95% confidence intervals) of impaired wound healing among the late, intermediate, and early quitters and nonsmokers were 67.6% (52-83%), 55.0% (33-77%), 59.1% (47-71%), and 47.5% (32-63%), respectively, and the incidence of impaired wound healing was significantly lower among the intermediate quitters, early quitters, and nonsmokers than among the smokers (85.7% [73-97%]). After controlling for sex, age, American Society of Anesthesiologists physical status, operation time, history of diabetes mellitus, chemotherapy, radiation therapy, and the type of flap, the odds ratios (95% confidence intervals) for development of impaired wound healing in the late, intermediate, early quitters, and nonsmokers were 0.31 (0.08-1.24), 0.17 (0.04-0.75), 0.17 (0.05-0.60), and 0.11 (0.03-0.51), respectively, compared with the smokers.

Conclusions
Preoperative smoking abstinence of longer than 3 weeks reduces the incidence of impaired wound healing among patients who have undergone reconstructive head and neck surgery.