bluuebunny/crossref_metadata_2025_split huggingface dataset:
Taking the Next Steps in Goal Ascertainment: A Prospective Study of Patient, Team, and Family Perspectives Using a Comprehensive Standardized Menu in a Geriatric Assessment and Treatment Unit
Authors: Glazier Sherry R. , Schuman John , Keltz Esther , Vally Ashnor , Glazier Richard H. 
Published: December 2004

Objectives: To examine the performance of an expanded menu of goals in a geriatric rehabilitation setting incorporating patient, family, and team perspectives.Design: Prospective comparative study.Setting: Inpatient geriatric rehabilitation unit.Participants: Nineteen consecutive eligible inpatients and their family members and seven unit team members.Measurements: Each participant independently reviewed a standardized menu of medical, functional, psychosocial, spiritual, and future planning goals, which were compared with the goals set by the healthcare team.Results: On average, patients and their family members agreed on goals about half the time; family members tended to have more goals than patients. Agreement between the team and patients and families was poor (kappas=−0.11–0.33). The team was less likely to identify functional, psychosocial, spiritual, and future planning goals.Conclusion: Patients and families have a broad range of goals that are not always identified by the healthcare team. A comprehensive standardized menu is feasible and may be helpful in setting goals in a geriatric rehabilitation setting.
Tramadol/Acetaminophen Combination Tablets for the Treatment of Pain Associated with Osteoarthritis Flare in an Elderly Patient Population
Authors: Rosenthal Norman R. , Silverfield Joel C. , Wu Shu‐Chen , Jordan Donna , Kamin Marc ,   on behalf of the CAPSS‐105 Study Group
Published: December 2004

Objectives: To evaluate the efficacy and safety of adding tramadol 37.5 mg/acetaminophen (APAP) 325 mg combination tablets (tramadol/APAP) to existing therapy for painful osteoarthritis (OA) flare in a subset of elderly patients.Design: Randomized, double‐blind, placebo‐controlled, 10‐day add‐on study.Setting: Thirty outpatient centers.Participants: Of 308 patients with painful OA flare, a subset of 113 patients aged 65 and older.Measurements: Average daily pain intensity and pain relief scores for Days 1 through 5 and secondary quality‐of‐life measures and medication assessments.Methods: Patients received one or two tramadol/APAP tablets or placebo four times per day for 10 days during ongoing nonselective or cyclooxygenase (COX)‐2–selective nonsteroidal antiinflammatory drug (NSAID) therapy.Results: Tramadol/APAP (n=69) was significantly superior to placebo (n=44) for average daily pain intensity (P=.034) and pain relief (P=.010) for Days 1 through 5 and Days 1 through 10 (P=.012 and P=.019, respectively). Tramadol/APAP had significantly better investigator (P<.001) and patient (P=.001) overall medication assessments and significantly better scores on three of four Western Ontario and McMaster Universities Osteoarthritis Index measures (P≤.027). Most common adverse events with tramadol/APAP were nausea (18.8%), vomiting (13.0%), dizziness (11.6%), and constipation (4.3%), with an incidence similar to that of the overall study population. Mean daily dose of tramadol/APAP was 4.5 tablets (168 mg/1,458 mg).Conclusion: Tramadol/APAP add‐on therapy effectively managed painful OA flare in this elderly subset and was generally well tolerated.
Synthesis, Characterization, and Boron Uptake of Organic–Inorganic Hybrid Mesoporous Materials
Authors: Wang Lina , Qi Tao , Zhang Yi 
Published: December 2004

Abstract
An organic–inorganic hybrid mesoporous material with polyol functional groups has been prepared by a two-step post-grafting method using mesoporous SBA-15 as the support, proven to be a promising adsorbent with the considerable uptake capacity, as well as the high selectivity towards boron.
Biosensoren
Authors: Schmid Rolf D. , Bilitewski Ursula 
Published: December 2004

AbstractIm internationalen Sprachgebrauch zählt eine Enzymelektrode zu den „Biosensoren”︁, ein Bildanalysator zur Tumordiagnose dagegen nicht, und bei einem Fließinjektionssystem mit immobilisiertem Enzym gehen die Meinungen auseinander. Der Begriff „Biosensor”︁ war lange Zeit nicht streng definiert. Es handelt sich jedoch immer um ein Analysengerät, und meist wird der Begriff für einen Aufbau verwendet, in dem eine biologische Komponente (z. B. ein Enzym, ein Antikörper oder ein Mikroorganismus) unmittelbar mit einem Signalwandler (z. B. einer Elektrode, einer optischen Faser oder einem Piezokristall) verbunden ist.
Antikörper. Wie die Natur eine chemische Struktur beliebig variiert
Authors: Grawunder Ulf , Haasner Dirk 
Published: December 2004

AbstractAntikörper haben zentrale Bedeutung für die spezifische Immunreaktion aller Wirbeltiere. Charakteristisch für diese Gruppe von Glykoproteinen ist, daß sie beliebig viele verschiedene Strukturen bilden kann, die zu einer praktisch unbegrenzten Anzahl von Antigenen chemisch komplementär sind. Als Antigene bezeichnet man alle Substanzen, die an Antikörper binden können. Dabei kann es sich sowohl um Moleküle biologischer Herkunft als auch um synthetische Stoffe handeln, selbst wenn diese im Verlauf der biologischen Evolution nie existiert haben. Die molekularen Mechanismen, mit deren Hilfe die Natur einer derart unerschöpflichen Menge von potentiell gefährlichen Antigenen eine ebenso große Anzahl von spezifischen Antikörpern entgegensetzt, sind das Thema des folgenden Artikels.
Blei‐ und Kupfergewinnung im Rahmen eines anorganischen Praktikums
Authors: Wiskamp Volker , Lüdtke Harald , Gruehn Reginald 
Published: December 2004

AbstractDie beschriebenen Versuche vermitteln Studenten nicht nur anspruchsvolle analytische und präparative anorganische Chemie, sondern auch ein tieferes Verständnis für die Denkweise in der chemischen Industrie. Eine Produktion kann nur gestartet werden, wenn die Qualität der Rohstoffe gesichert ist, und deshalb ist deren Eingangskontrolle zwingend erforderlich. Das Verfahren selbst muß den Belangen des Umweltschutzes Rechnung tragen. Schadstoffemissionen in Luft und Wasser sind verboten und entsprechende Gegenmaßnahmen zu treffen. Schließlich steht und fällt ein Herstellungsverfahren mit der Ausbeute und Qualität des erzeugten Produktes. Erst wenn ein Produkt die geforderte Spezifikation erfüllt, darf es für den Verbrauch freigegeben werden. Und so, wie in der chemischen Industrie das Verursacherprinzip gilt, nach dem der Produzent für seine Produktion und seine Produkte haftet, haben sich auch die Studenten um die fachgerechte Aufbereitung aller anfallenden Versuchsreste zu kümmern.
Chemie in 30 Jahren
Authors: Jaenicke Lothar , König Horst , Herberhold Max , Boche Gernot , Wambach Heinz , Hensel Friedrich , Janoschek Rudolf 
Published: December 2004

Abstract„ChiuZ”︁ wird 30 Jahre alt! Runde Geburtstage sind nicht nur Grund zum Feiern; die Jubilare nehmen sie auch oft zum Anlaß, um einerseits Bilanz zu ziehen und um andererseits über Gegenwart und Zukunft nachzudenken. Wir haben nun unsere Kuratoren gebeten, einmal aus ihrer Sicht mögliche Entwicklungslinien aufzuzeigen und zu kommentieren, natürlich immer eingedenk der Warnung Niels Bohrs: „Prognosen sind schwierig, besonders wenn sie die Zukunft betreffen.”︁ Doch lesen Sie selbst!.
Synthesen von Mannich‐Basen von Hydroxy‐indolen. 3. Mitteilung über synthetische Indol‐Verbindungen [1]
Authors: Troxler F. , Bormann G. , Seemann F. 
Published: December 2004

AbstractThe reactivity of hydroxy‐indoles under the conditions of the Mannich‐reaction has been studied. The electrophilic side‐chain enters in each case in a position ortho to the phenolic group. 4‐Hydroxy‐indole is substituted in the 5‐, 5‐hydroxy‐indole in the 4‐, 6‐hydroxy‐indole in the 7‐, and 7‐hydroxy‐indole probably in the 6‐position. The structures of the Mannich bases from 4‐, 5‐ and 6‐hydroxy‐indole have been confirmed by comparison of the hydroxy‐methyl‐indoles obtained by reductive desamination with hydroxy‐methyl‐indoles prepared by unambiguous total synthesis.
Untersuchungen über das Verhalten organischer Mischphasen. 6. Mitteilung. Dampfdrücke, Dichten, thermodynamische Mischungsfunktionen und Brechungsindices des binären Systems Methanol‐Diäthyl‐äther bei 25°
Authors: Arm H. , Bankay D. 
Published: December 2004

AbstractThe total vapor pressures, the heats of mixing, and the refractive indices of the system methanol‐diethyl ether were measured at 25°C. The density was used to determine concentrations for the total pressure measurements. The partial pressures, activity coefficients, excess free energies, entropy functions, and excess volumes were calculated.
Die Molrefraktion von Aquo‐Ionen metallischer Elemente und die Auswertung von Lichtbrechungsmessungen in der anorganischen Chemie
Authors: Salzmann Jean‐Jacques , Jørgensen Christian Klixbüll 
Published: December 2004

AbstractIt is shown that molar polarisabilities α of aqueous solutions of electrolytes previously measured by HEYDWEILLERand other authors, and here of lanthanide (III) and bismuth (III) perchlorates, can be brought in much better agreement with α values for crystalline substances than usually thought, and that additivity of α for each constituent is a remarkably good approximation, except in the case of complexes having very intense electron transfer bands. In an isoelectronic series, α normally decreases from M(I) to M(II) but frequently increases in direction of M(III) and M(IV). The oscillator strength and contributions from inner shells are discussed, and an effect of half‐filled shells on excitation energies pointed out.
Die Kristallstruktur von H3Co(CN)6
Authors: Güdel H. U. , Ludi A. , Bürki H. 
Published: December 2004

AbstractThe crystal structure of the hexagonal H3Co(CN)6 (a = 6.43 Å, c = 5.70 Å, Z = 1) has been determined by X‐ray powder methods. The space group is D (at least pseudo), the cobalt atoms being in (0, 0, 0). Structure factor calculations lead to a final R‐value of 13.2%, based on F2‐sums of coinciding reflections. The carbon and nitrogen atoms are located at the vertices of a slightly distorted octahedron around the cobalt atom; the angle CoCN is 177°. The interatomic distances are: CoC = 1.89 Å, CoN = 2,98 Å, CN = 1.09 Å. The pseudo‐octahedral units of Co(CN)6 are linked together by NHN bridges. Infrared spectra show that the most probable linkage is the one with a NHN‐bond length of 2.7 Å.
5‐Schwefelsubstituierte 1,2‐Dithiol‐3‐one
Authors: Bader JÖRg 
Published: December 2004

Abstract1, 2‐Dithioles with sulfur substitutents in position 5 are prepared by reaction of 4‐chloro‐1, 2‐dithiol‐3‐ones with thiols, sulfinates, dithiocarbamates, or potassium ethylxanthate. Bis‐(4‐chloro‐1, 2‐dithiol‐3‐on‐5‐yl) sulfide is produced from 4, 5‐dichloro‐1, 2‐dithiol‐3‐one with sodium thiosulfate and other thiol forming reagents. The 5‐alkylthio‐ and 5‐arylthio‐1, 2‐dithiol‐3‐ones can be oxidized with peracids to sulfoxides and, partly, to sulfones; the sulfones can also be obtained from sulfinates. 4‐Chloro‐5‐(α‐methyl‐benzylthio)‐1, 2‐dithiol‐3‐one reacts differently with peracetic acid, giving bis‐(4‐chloro‐1, 2‐dithiol‐3‐on‐5‐yl) disulfide besides 4‐chloro‐1, 2‐dithiol‐3‐one. With oxalyl chloride, 4‐chloro‐5‐alkylthio‐1, 2‐dithiol‐3‐ones form 3, 4‐dichloro‐dithioliumchlorides, which react with anilines to give 3‐phenylimino‐4‐chloro‐5‐alkylthio‐1, 2‐dithioles.
2‐Alkyliden‐1, 3‐dithia‐Heterocyclen aus 5‐Sulfonyl‐1, 2‐dithiol‐3‐onen und Alkoholaten
Authors: Bader JÖRg 
Published: December 2004

AbstractAsymmetrically substituted 5‐sulfonyl‐1, 3‐dithiafulvenes (9a–g), all of which have the same configuration (called α), are obtained by reaction of 4‐chloro‐5‐sulfonyl‐1, 2‐dithiol‐3‐ones (3a–e) with sodium alkoxides. Side‐products formed are 4‐chloro‐5‐alkoxy‐1, 2‐dithiol‐3‐ones (5a and 5b), 3, 5‐bis‐alkylidene‐1, 2, 4‐trithiacyclopentanes (21 and 22), and (in some instances) minor amounts of compounds 33, 34, or 35. Reaction of 4‐phenyl‐5‐methylsulfonyl‐1, 2‐dithiol‐3‐one with sodium methoxide results in the formation of 4‐phenyl‐5‐methoxy‐1, 2‐dithiol‐3‐one (5c), the two cis‐trans‐isomers of 2, 4‐bis‐alkylidene‐1, 3‐dithiacyclobutane 24 and 25, and the 2, 5‐bis‐alkylidene‐1, 2, 4, 5‐tetrathiacyclohexane 26. Some conceivable reaction mechanisms are discussed, and proof is given for the structure of the major compounds. By treating 4‐chloro‐5‐(2′‐chloro‐ethylthio)‐1, 2‐dithiol‐3‐one with sodium methoxide, the 2‐alkylidene‐1, 3‐dithiolane 13 is obtained.The sulfonyl groups of the 1, 3‐dithiafulvenes 9a–g described may be easily replaced by hydrogen or secondary amines, yielding compounds 14, 16 and 19, respectively.When dissolved in strong acids and reprecipitated, asymmetrically substituted 2‐alkylidene‐1, 3‐dithia compounds may be converted into mixtures of all possible cis‐trans‐isomers thereof. Those isomers may be separated by fractional crystallization. Isomers 31 (called β) of 9 a‐‐g, and 32 of 16a, b, are obtained accordingly.
Propriétés thermodynamiques des mélanges binaires. Volume et énergie interne de formation des solutions de l'hexadécane dans les isomères de l'hexane
Authors: Fernández‐García J. G. , Guillemin M. , Boissonnas Ch. G. 
Published: December 2004

AbstractThe volumes of mixing of hexadecane and each of the isomers of hexane have been measured for the equimolar mixtures at 20°C. The results have been used together with previously measured values of ΔH to obtain ΔUv.A very good correlation is found between the energy of mixing and the properties of the pure alkanes.
Applications synthétiques de la cyclisation d'alcools tertiaires γ‐éthyléniques en α‐bromotétrahydrofurannes sous l'action du N‐bromosuccinimide. I. Synthèse facile de la triméthyl‐2,2,5‐cycloheptène‐4‐one ou karahanaénone à partir du linalol
Authors: Demole Edouard , Enggist Paul 
Published: December 2004

AbstractThe ionic reaction of linalool and N‐bromosuccinimide in CCl4 at room temperature afforded 2‐methyl‐2‐vinyl‐5‐(1‐bromo‐1‐methyl‐ethyl)‐tetrahydrofuran (I). On treatment with refluxing collidine this compound yielded the intermediate allyl vinyl ether III, which immediatealy rearranged to 2,2, 5‐trimethylcyclohept‐4‐en‐one (V) or «karahanaenone» through a [3,3]‐sigmatropic process. Karahanaenone, a constituent of hop oil, was thus synthesized for the first time (overall yield 62% from linalool). The mechanisms of these reactions are discussed.
ESR.‐Untersuchung zur Reaktion von Hydroxylradikalen mit Glycin
Authors: Paul H. , Fischer H. 
Published: December 2004

AbstractRadicals H2NĊHCOOH and H2NĊHCOO− which have different ESR. spectra are observed during the reaction of hydroxyl radicals with glycine in aqueous solution. Rapid and reversible exchange between the different dissociated radicals is induced by addition of phosphoric acid. The pH dependence of the ESR. spectra yields the pK value and rate constants for proton transfer reactions between the radicals and phosphoric acid.
Chiroptische Eigenschaften und absolute Konfiguration von 9, 9′‐Spirobifluoren‐Derivaten
Authors: Haas G. , Hulbert P. B. , Klyne W. , Prelog V. , Snatzke G. 
Published: December 2004

AbstractThe circular dichroism and optical rotatory dispersion of three vespirenes, three vespirones, and of some related 9, 9′‐spirobifluorene derivatives [4] have been measured. The absolute configurations of these compounds have been determined from chiroptical properties (CU., ORD.) in four ways which give mutually consistent results. For the (−)‐vespirenes the (R)‐configuration (Figs. 1 and 2) follows from 1 is treatment.
Equilibres conformationnels de dérivés de sucres à insaturation terminale
Authors: Tronchet J. M. J. , Baehler Br. 
Published: December 2004

AbstractThe conformation in solution of several unsatured sugars of the general type XHCCH—glycosyl has been studied by NMR. In the trans series, the population of the sterically permitted gauche conformer increases with the M‐ability of X. In the cis series, the population of the trans conformer increases with the space requirements of X. These phenomena are discussed.
The Rôle of Solvent Participation in Electrophilic Aromatic Substitution: Rates of a diazo coupling reaction in water and in aprotic polar solvents. 24th Communication on diazo coupling reactions
Authors: Penton J. R. , Zollinger H. 
Published: December 2004

AbstractThe rates of the diazo coupling reaction of 4‐toluenediazonium salts with N, N‐dimethylaniline in tetramethylene sulfone, acetonitrile, water, and nitromethane at 30°C are the same within a factor of 5. No significant influence of ‘gegenions’ (HSO or BF) was found. The results are explained by postulating little solvent reorganisation in the transition state. They are discussed comparatively with solvent effects in other electrophilic aromatic substitutions, particularly with regard to the reactions of nitronium salts.
C‐Glycosides, IV. Mise en évidence d'un mécanisme concurrent de la cyclo‐addition dipolaire‐1,3 concertée lors de la réaction d'une azométhine‐imine avec un dipolarophile acétylénique. Communication préliminaire
Authors: Tronchet J. M. J. , Perret Melle F. 
Published: December 2004

AbstractThe reaction of a glycosyl‐azomethine imine with an acetylenic dipolarophile in the usual conditions for 1, 3‐dipolar cycloaddition led to an α‐ethynyl‐hydrazone beside the ‘normal’ product of the reaction, i.e. the corresponding pyrazole. Deuteration experiments indicated that the two products are formed by two concurrent independent pathways. It is supposed that the slow step in the formation of the α‐acetylenic hydrazone is the ionization of the alcyne whose conjugated base reacts rapidly with the 1, 3‐dipole.
Projected electron density method of π‐eletron systems II. Excited states
Authors: Försterling H. D. , Kuhn H. 
Published: December 2004

AbstractA perturbation theory based on the time‐dependent Schrödinger equation is presented; Coulombic interactions are taken into account and spin properties are neglected. Using wave functions given by the projected electron density method described in Part I as a basis set the energies of excited π‐electron states are calculated. For a series of porphyrin compounds the electronic spectra are calculated and are found to be in good agreement with experiment.
Wellenmechanische Absolutrechnung an einer intramolekularen Radikalreaktion an einem methyl– und hydroxylsubstituierten ungesättigten Kohlenwasserstoff
Authors: Janoschek R. 
Published: December 2004

AbstractAn energy surface for the intramolecular radical reaction oxygen radical ⇌ methylene radical has been estimated on an important part of the α‐Tocopherol molecule (Vitamin E), using the SCF–MO–LC(LCGO) method. The total energy of the oxygen radical is greater than that of the methylene radical by about 49.6 kcal/Mol. The height of the potential barrier between the two tautomeric radicals was calculated to be 54.6 kcal/Mol. The calculated life time of the oxygen radical was 5.3 sec.
Valence structures for N2O4. III
Authors: Harcourt R. D. 
Published: December 2004

AbstractFurther energies for types of N2O4 valence structures (or valence formulae) are reported. The results indicate that two sets of formulae might give satisfactory distributions of the mobile σ‐electrons. These are

Resonance between covalent and ionic formulae ((B) and (D) of Part II[8]);
A non‐paired spatial orbital formula ((F) of Part II [8]).
One estimate of the σ‐bond order for the NN bond is 0.4–0.5. For this, (i) is to be preferred, because it involves a much lower energy than (ii). But should the order be about 0.7, the energies of (i) and (ii) are similar, and both descriptions are satisfactory.The ionic formula of (i) involves non‐localized bonding for the NO moiety. It may be replaced by a formula with localized bonds, and an almost identical energy.
A study of the ground state wave function of carbon monoxide
Authors: Siu Albert K. Q. , Davidson Ernest R. 
Published: December 2004

AbstractA large configuration‐interaction calculation has been performed to determine the wave function, energy, and molecular properties of CO. The most important configurations were used to obtain the natural geminals and their occupation numbers. A pair‐energy approach to the correlation energy was attempted with results which differ significantly from the configuration‐interaction results.
Optimum hybrid orbitals in localized orbitals
Authors: Polák Rudolf 
Published: December 2004

AbstractUsing the criterion for maximizing the projection of localized bond orbitals onto the space spanned by the occupied MO's, a method for constructing hybrid orbitals of a molecule is described. For illustration purposes the method is applied to single‐determinant closed shell wave functions, calculated by means of ab initio and semiempirical procedures, for the molecules of methane, acetylene, ethylene, ethane, propylene, butadiene, ammonia and hydrogen cyanide. The predictions of hybridization are briefly discussed.
Molecular MC–SCF calculations
Authors: Levy B. 
Published: December 2004

AbstractA practical method for finding multi‐configurational SCF wave functions is proposed. The basic equation is equivalent to the Brillouin theorem; comparison with the usual SCF equations obtained through effective hamiltonians gives an interpretation of the offdiagonal Lagrange multipliers. Numerical applications to Formaldehyde in a minimum Slater‐type orbital basis with four different variational wave functions are reported. The molecular orbitals found in these calculations are localized on the chemical bonds. The largest contributions to the energy are obtained from π‐π and dispersion‐type σ‐π correlation.
Self‐consistent spin‐polarized energy bands of sodium
Authors: Boring A. Michael 
Published: December 2004

AbstractThe energy bands of sodium have been calculated by the augmented‐plane wave method and carried to self‐consistency for both a non‐spin‐dependent and spin‐dependent potential. The results are compared with those of previous calculations and with experimental data. It was found that the energy gaps introduced by the spin‐dependent potential remained when the calculations were carried to self‐consistency. Analysis of the present results involved comparison of the spin‐dependent method with Löwdin's Alternant Molecular Orbital method and with Overhauser's Spin‐Density‐Wave model, and an analogy is drawn between the spin‐dependent calculation and spin‐polarized atomic calculations. By calculating the total energies as a functional of the self‐consistent charge desity, it was determined that the spin‐polarized crystal state had a lower energy than the state obtained from the non‐spin‐dependent potential. The approximations used in the calculations are discussed.
Gaussian overlap approximation in the projected Hartree–Fock method
Authors: Van Leuven P. 
Published: December 2004

AbstractA method for the approximate calculation of matrix elements with respect to projected Hartree–Fock wave functions is proposed. The method is tested on some calculations in the many‐parameter AMO method. It is found that the approximation reduces the amount of work, involved in the evaluation of the energy, by a factor of five and that it reproduces the exact values to within a few per cent.
Fifth‐rank molecular polarization tensors
Authors: Boyle L. L. 
Published: December 2004

AbstractFifth‐rank molecular polarization tensors are discussed in terms of their tensor group which includes both the spatial symmetry and the permutation symmetry of the suffixes. This latter may be described by certain four‐dimensional point groups, which in the nontotally symmetric cases may be projected into three‐dimensional space. The study leads to a determination of the number of independent components of these tensors and a discussion of the types of phenomena which they may be expected to produce.