bluuebunny/crossref_metadata_2025_split huggingface dataset:
Comparison of hydroxyapatite and beta tricalcium phosphate as bone substitutes after excision of bone tumors
Authors: Ogose Akira , Hotta Tetsuo , Kawashima Hiroyuki , Kondo Naoki , Gu Wenguang , Kamura Takeshi , Endo Naoto 
Published: September 2004

AbstractLong‐term results are reported in 23 patients and short‐term results in 30 patients presenting with bone tumors treated by curettage or resection followed by implantation of hydroxyapatite (HA) or highly purified beta‐tricalcium phosphate (β‐TCP), respectively. Mean follow‐up was 97 and 26 months in cases involving HA implantation and β‐TCP implantation, respectively. Radiographs revealed HA incorporation into host bone in all but two cases; moreover, no obvious evidence of HA biodegradation was observed. A single patient exhibited late deformity following implantation of HA. All grafted β‐TCP was, at least partially, absorbed and replaced by newly formed bone. The mean period required for the disappearance of radiolucent zones between the ceramics and host bone was 17 weeks in HA and 9.7 weeks in β‐TCP. Highly purified β‐TCP appears to be advantageous relative to HA for surgical intervention in bone tumors consequent to the nature of remodeling and superior osteoconductivity. © 2004 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater 72B: 94–101, 2005
A hybrid approach combining energy density analysis with the interaction energy decomposition method
Authors: Kawamura Yoshiumi , Nakai Hiromi 
Published: September 2004

AbstractWe propose a new analysis technique for characterizing molecular interactions that combines an energy decomposition scheme, such as the Kitaura–Morokuma decomposition method, with energy density analysis, which partitions the total energy of the system into atomic contributions. The combined scheme, termed Interaction‐EDA, enables us to estimate the local contribution of interaction energy components, such as electrostatic, exchange, polarization, and charge transfer. The evaluation of the local interaction energy is rather important in large systems. For a numerical assessment, the Interaction‐EDA method is applied to the process of CO adsorption on Si(100) − (2 × 1) surface. © 2004 Wiley Periodicals, Inc. J Comput Chem 25: 1882–1887, 2004
Calculation of the vibration frequencies of α‐quartz: The effect of Hamiltonian and basis set
Authors: Zicovich‐Wilson C. M. , Pascale F. , Roetti C. , Saunders V. R. , Orlando R. , Dovesi R. 
Published: September 2004

AbstractThe central‐zone vibrational spectrum of α‐quartz (SiO2) is calculated by building the Hessian matrix numerically from the analytical gradients of the energy with respect to the atomic coordinates. The nonanalytical part is obtained with a finite field supercell approach for the high‐frequency dielectric constant and a Wannier function scheme for the evaluation of Born charges. The results obtained with four different Hamiltonians, namely Hartree–Fock, DFT in its local (LDA) and nonlocal gradient corrected (PBE) approximation, and hybrid B3LYP, are discussed, showing that B3LYP performs far better than LDA and PBE, which in turn provide better results than HF, as the mean absolute difference from experimental frequencies is 6, 18, 21, and 44 cm−1, respectively, when a split valence basis set containing two sets of polarization functions is used. For the LDA results, comparison is possible with previous calculations based on the Density Functional Perturbation Theory and usage of a plane‐wave basis set. The effects associated with the use of basis sets of increasing size are also investigated. It turns out that a split valence plus a single set of d polarization functions provides frequencies that differ from the ones obtained with a double set of d functions and a set of f functions on all atoms by on average less than 5 cm−1. © 2004 Wiley Periodicals, Inc. J Comput Chem 25: 1873–1881, 2004
The psychology of thinking, animal psychology, and the young Karl Popper
Authors: ter Hark Michel 
Published: September 2004

AbstractIn the 1920s, Karl Popper wrote two large manuscripts on psychology that he never published. In his autobiography, Unended Quest, he attempts to reduce the importance of his work in psychology as much as possible, and in his philosophical work he is an antipsychologist. However, in this article, it is argued that Popper's early psychology has been pivotally important for the development of his philosophy. In particular, it is shown that Popper's views on psychology underwent a radical shift, one that paved the way for his characteristic deductive stance in philosophy. Popper's views shifted from an inductive and associationistic psychology toward a noninductive psychology of problem solving. Tracing the historical background of Popper's early work reveals how he integrated various parts of the psychology of Karl Groos into his analysis of the childish phenomenon of dogmatic thinking and how he shortly after appropriated various elements of the animal psychology of Hans Volkelt and Herbert Jennings in his biological approach to (dogmatic) thinking. In the monumental works of Otto Selz, however, Popper finally found the roots of a noninductive and biological approach to the growth of individual and scientific knowledge. © 2004 Wiley Periodicals, Inc.
Mental tests and fossils
Authors: Littman Richard A. 
Published: September 2004

AbstractThis article investigates the origins of the intelligence test item known as the Ball and Field in Lewis M. Terman's Stanford Revision of the Binet‐Simon Intelligence Scale. The question was initially raised by the resemblance of paleontological ocean bed floor tracings left by ancient creatures to the responses produced by children given the Ball and Field Test. A version of the Ball and Field Test was invented by Clifton F. Hodge, one of Terman's graduate school instructors who devised it as a result of his observations about how birds and other animals navigated and found their way. He then tested how humans and children located hidden objects and found that, in many ways, animals and humans used similar strategies for getting home or finding objects. © 2004 Wiley Periodicals, Inc.
A kit formulation for the labelling of lipiodol with generator‐produced 188Re
Authors: Lepareur Nicolas , Garin Etienne , Noiret Nicolas , Herry J. Y. 
Published: September 2004

AbstractA lyophilised kit formulation for the efficient labelling of lipiodol with generator‐produced 188Re is described. This method involves the reaction of [188ReVIIO4]− (37–370 MBq) with SnCl2 as a reducing agent, potassium oxalate as a reduction promoter, ascorbic acid as antioxidant and sodium gluconate as a weak chelate. The intermediate compound Na[188ReVO(gluc)2] reacts with the sodium salt of a dithiobenzoate ligand to give the neutral complex [188ReIII(PhCS3)2(PhCS2)]. This complex is then quantitatively extracted with lipiodol to afford a stable solution. Radiochemical purity (RCP) was greater than 90% and the yield of extraction was about 88%. The role of the different kit components has been studied in detail to find the most efficient formulation (amount of reducing agent, antioxidant). The use of 0.8 mg of stannous chloride, with 40 mg of potassium oxalate and 30 mg of ascorbic acid, was found necessary. The stability of the 188Re‐radiolabelled lipiodol has been investigated, in the presence of plasma. The radiolabelled lipiodol (188Re‐SSS lipiodol) is stable at least 48 h (RCP=91.0±4.0%). Copyright © 2004 John Wiley & Sons, Ltd.
Isotope labeled ‘HEA Moiety’ in the synthesis of labeled HIV‐protease inhibitors – Part 1
Authors: Ekhato I. Victor , Liao Yuan , Plesescu Mihaela 
Published: September 2004

Abstract[(S)‐1′‐((N‐tert‐Butyloxycarbonyl)amino)‐2S‐[2H5]phenyl‐ethyl]oxirane 11, made from [2H5]‐bromobenzene, was transformed into the HIV‐protease inhibitors [2H5]‐DPH 153893 and [2H5]‐DPH 140662. Both compounds are members of the hydroxyethylamine class of protease inhibitors (HIV‐PIs). The method of synthesis is applicable to members of this class and the HEE group of HIV‐PIs. Copyright © 2004 John Wiley & Sons, Ltd.
The syntheses of [14C] and [13C2,15N3]aprepitant
Authors: Elmore Charles S. , Dean Dennis C. , Zhang Yong , Mellilo David G. 
Published: September 2004

AbstractIn support of a program to develop a treatment for chemotherapy‐induced nausea and vomiting, two isotopically labeled forms of neurokinin‐1 receptor antagonist aprepitant have been synthesized. A [l4C]‐labeled version was synthesized for use in metabolism studies, while a [13C2,15N3]‐labeled version was synthesized for use in a study to determine the bioavailability of the final market image. Both syntheses utilized labeled chloroacetonitrile which was synthesized in two steps from labeled potassium cyanide. Copyright © 2004 John Wiley & Sons, Ltd.
Synthesis of deuterium, tritium, and carbon‐14 labeled BIRB 796, a p38 MAP kinase inhibitor
Authors: Latli Bachir 
Published: September 2004

Abstract1‐(5‐tert‐Butyl‐2‐p‐tolyl‐2H‐pyrazol‐3‐yl)‐3‐[4‐(2‐morpholin‐4‐yl‐ethoxy)naphthalen‐1‐yl]urea (BIRB 796), currently in clinical trials for the treatment of inflammatory diseases, is a potent inhibitor of p38 MAP kinase. Labeled BIRB 796 with stable and radioactive isotopes was required for metabolism, distribution, and absorption studies. We first report the synthesis of carbon‐14 labeled BIRB 796 with a specific activity of 2 GBq/mmol (54.2 mCi/mmol), using [14C]‐phosgene under modified Schotten–Baumann conditions; second the preparation of tritium‐labeled BIRB 796 with a specific activity of 659 GBq/mmol (17.81 Ci/mmol) by reductive dehalogenation of iodo‐BIRB 796 with tritium gas; and finally, the synthesis of 2H8‐BIRB 796 using morpholine‐2,2,3,3,5,5,6,6‐2H8 with isotopic enrichment of 98.9 at% 2H. Copyright © 2004 John Wiley & Sons, Ltd.
Synthesis of [13C7]3,5‐dichlorobenzylamine hydrochloride
Authors: Harwood Simon J. 
Published: September 2004

AbstractCommercially available [13C6]aniline (2) was readily converted into [13C6]1‐bromo‐3,5‐dichlorobenzene (5). A further stable label was introduced by cyanation of aryl bromide (5), using K13CN and cuprous iodide. Borane reduction of benzonitrile (6), followed by an acid work up, furnished [13C7]3,5‐dichlorobenzylamine hydrochloride (1), which was further elaborated to provide an internal standard for use in LC‐MS assays. Copyright © 2004 John Wiley & Sons, Ltd.
Collision courses: When social identity leads to conflict
Authors: Ohlott Patricia J. , Chrobot‐Mason Donna , Dalton Maxine A. 
Published: September 2004

AbstractAs people with far different social identities increasingly find themselves working together, clashes, differences of opinion, and even serious conflicts are bound to occur. These can have acute consequences for organizations. The challenge for leaders is to effectively manage and resolve such conflicts or, better yet, anticipate and prevent them from happening at all.
Luminescent Monomer and Poly(methacrylate) Containing 1,3,4‐Oxadiazole and Stilbene Units: Synthesis and Optical Properties
Authors: Mikroyannidis John A. 
Published: September 2004

AbstractSummary: A monomer M as well as a poly(methacrylate) P carrying the same chromophore, that consists of 1,3,4‐oxadiazole and stilbene units, were efficiently synthesized. They dissolved in common organic solvents such as THF, chloroform, dichloromethane, 1,1,2,2‐tetrachloroethane and chlorobenzene. P showed a Tg value of 145 °C. Both M and P were stable up to approximately 300 °C and afforded anaerobic char yield of about 40% at 800 °C. Their optical properties were comparable. They emitted intense violet‐blue light in THF solution with a PL maximum at 413 nm and a PL quantum yield of 0.29 for M and 0.73 for P. Thin films of them displayed optical band gap of 3.03 eV and blue‐light emission with a PL maximum around 440 nm. The PL curves of both samples were progressively red‐shifted with increasing the solvent polarity. The influence of the annealing on the PL emission spectrum of M and P thin films was investigated.
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Measurement of in situ Monomer Sorption in Poly(propylene)
Authors: Pater Jochem T. M. , Weickert Günter , Fait Anna , Mei Gabriele 
Published: September 2004

AbstractSummary: An experimental method has been developed to compare the amount of monomer absorbed in freshly produced poly(propylene) with the amount of monomer absorbed in the same material after degassing. It has been found that propylene sorption in freshly produced poly(propylene) is significantly higher than the sorption in the same but degassed polymer. The difference depends on the degree of drying and is time‐dependent. This fact can be an explanation for reduced activity often observed in the transition from liquid‐ to gas‐phase polymerization.Pressure profile during the pressure‐swing part of the experiment.magnified imagePressure profile during the pressure‐swing part of the experiment.
Ischemia/reperfusion injury: A review in relation to free tissue transfers
Authors: Siemionow Maria , Arslan Emrah 
Published: September 2004

AbstractEvents during ischemia/reperfusion (I/R) injury include: neutrophil‐mediated endothelial cytotoxicity and activation, generation of free radicals, triggering of cytokines and chemokines, and activation of adhesion molecules and complement system. This article briefly reviews events occurring during tissue ischemia and reperfusion in relation to free tissue transfers. The consequences of tissue damage at the microcirculatory level are presented. Preventive measures of I/R injury are outlined. © 2004 Wiley‐Liss, Inc. Microsurgery 24:468–475, 2004.
Use of muscle‐vein‐combined Y‐chambers for repair of multiple nerve lesions: Experimental results
Authors: Tos Pierluigi , Calcagni Maurizio , Gigo‐Benato Davilene , Boux Elena , Geuna Stefano , Battiston Bruno 
Published: September 2004

AbstractY‐shaped vein conduits enriched with fresh skeletal muscle fibers were used to bridge a concomitant ulnar and median nerve transection with substance loss in rats. The proximal limb of the Y‐chamber was sutured to the proximal ulnar nerve, while the two distal limbs were sutured to ulnar and median distal nerve stumps. Eight months after surgery, median nerve functional recovery was evaluated by means of the grasping test, and nerve fiber regeneration in both repaired nerves was assessed by means of design‐based histomorphometry. Results showed that nerve fibers regenerated along both severed nerve trunks, and in the median nerve led to a recovery corresponding to 58% of normal nerve function. Quantitative analysis showed no significant morphological differences between myelinated nerve fibers regenerated along the two distal nerves except for the number of fibers, which was higher in the median nerve. Notably, the total number of regenerated nerve fibers in the two distal nerves was 4‐fold the normal fiber number in the ulnar nerve. Besides their interest in relation to the long‐lasting debate about the topographic specificity of nerve regeneration, the results of this study show an effective way to repair, in the rat experimental model, two transected nerve trunks innervating agonistic muscles in the case that the proximal stump of only one nerve is preserved. © 2004 Wiley‐Liss, Inc. Microsurgery 24:459–464 2004.
Technique for retransplanting heterotopic heart grafts in mice
Authors: Li Qi , Wang Yinong , Yi Tai , Chalasani Geetha , Dai Zhenhua , Lorber Marc I. , Tellides George , Lakkis Fadi G. 
Published: September 2004

AbstractRemoval of a transplanted organ from its original recipient and retransplanting it into a new host is an important method to study the role of the graft in the rejection process. Here we describe a novel technique of heart retransplantation in the mouse. In this technique, a primarily vascularized heart graft is anastomosed to the abdominal aorta and inferior vena cava of a syngeneic or immunodeficient allogeneic mouse, using standard techniques. Either 10 or 70 days later, the same graft is retransplanted into the abdomen of a second mouse by end‐to‐side anastomosis of the donor (first recipient) aortic and inferior vena cava's cuffs to the second recipient's abdominal aorta and inferior vena cava, respectively. A greater than 90% success rate was achieved by using this microsurgical technique. This method should be useful for studying intragraft factors, such as ischemia‐reperfusion injury and donor antigen‐presenting cells, on the outcomes of transplantations. © 2004 Wiley‐Liss, Inc. Microsurgery 24:465–467, 2004.
Reconstruction of large posttraumatic skeletal defects of the forearm by vascularized free fibular graft
Authors: Adani Roberto , Delcroix Luca , Innocenti Marco , Marcoccio Ignazio , Tarallo Luigi , Celli Andrea , Ceruso Massimo 
Published: September 2004

AbstractVascularized bone graft is most commonly applied for reconstruction of the lower extremity; indications for its use in the reconstruction of the upper extremity have expanded in recent years. Between 1993–2000, 12 patients with segmental bone defects following forearm trauma were managed with vascularized fibular grafts: 6 males and 6 females, aged 39 years on average (range, 16–65 years). The reconstructed site was the radius in 8 patients and the ulna in 4. The length of bone defect ranged from 6–13 cm. In 4 cases, the fibular graft was harvested and used as a vascularized fibula osteoseptocutaneous flap. To achieve fixation of the grafted fibula, plates were used in 10 cases, and screws and Kirschner wires in 2. In the latter 2 cases, an external skeletal fixator was applied to ensure immobilization of the extremity. The follow‐up period ranged from 10–93 months. Eleven grafts were successful. The mean period to obtain radiographic bone union was 4.8 months (range, 2.5–8 months). Fibular grafts allow the use of a segment of diaphyseal bone which is structurally similar to the radius and ulna and of sufficient length to reconstruct most skeletal defects of the forearm. The vascularized fibular graft is indicated in patients with intractable nonunions where conventional bone grafting has failed or large bone defects, exceeding 6 cm, are observed in the radius or ulna. © 2004 Wiley‐Liss, Inc. Microsurgery 24:423–429, 2004.
Modified distally based peroneal artery perforator flap for reconstruction of foot and ankle
Authors: Chang Shi‐Min , Zhang Feng , Yu Guang‐Rong , Hou Chun‐Lin , Gu Yu‐Dong 
Published: September 2004

AbstractThe distally based sural fasciocutaneous flap has been used widely for reconstruction of foot and ankle soft‐tissue defects. Here we report on a series of cases of foot and ankle reconstruction with a modified distally based sural flap. The vascular pedicle of the flap includes an axial perforator branch of the peroneal artery and two concomitant veins. This modified distally based perforator flap, measuring around 17 × 6 cm to 30 × 10 cm in size, was transferred for coverage of foot and ankle soft‐tissue defects in 7 cases. All flaps survived completely. Neither arterial ischemia nor venous congestion was noted. As compared to other distally based sural flaps with neuro‐veno‐adipo‐fascial pedicles, this modified sural flap with a thin perforator pedicle is easily rotated. The flap can obtain abundant blood supply through both axial perforator and longitudinal chain‐linked vascular plexuses, and does not have the venous reflow problem. In conclusion, the invention of this perforator fasciocutaneous flap provides a valuable tool for repair of foot and ankle soft‐tissue defects. © 2004 Wiley‐Liss, Inc. Microsurgery 24:430–436, 2004.
Effects of high pressure on Friedel–Crafts benzoylation
Authors: Mugnier Florence , Harrison‐Marchand Anne , Igersheim Françoise , Maddaluno Jacques 
Published: September 2004

AbstractA study of Friedel‐Crafts benzoylation under high pressure is reported. Activated (toluene) to non‐activated (benzene) and deactivated (fluorobenzene) aromatic substrates were acylated (benzoyl chloride) at 34 °C for 3 h 50 min in the presence of the usual Lewis acid AlCl3, raising the pressure from atmospheric pressure (1 bar) to 10 kbar. Non‐activated and deactivated aromatic substrates were found to be more sensitive to the effect of the high pressure. Indeed, fluorobenzene led to the expected aromatic ketone with a 56% yield under the conditions mentioned above (5 kbar), whereas the yields constantly decreased for toluene when the pressure increased. Hyperbaric activation has the advantage of being able to conduct such a transformation on deactivated substrates, avoiding very acidic catalysts such as trifluoromethanesulfonic acid or expensive activators such as gallium nonaflate. Copyright © 2004 John Wiley & Sons, Ltd.
Assessment of the metabolic stability of the methyl groups in heterocyclic compounds using CH bond dissociation energies: Effects of diverse aromatic groups on the stability of methyl radicals
Authors: Zhao Su‐Wen , Liu Lei , Fu Yao , Guo Qing‐Xiang 
Published: September 2004

AbstractThe CH bond dissociation energies (BDEs) of the methyl groups attached to a large number of heterocyclic compounds are calculated using a carefully calibrated B3LYP method. These CH bond dissociation energies are important for evaluating the metabolic stability of the methyl groups in heterocyclic compounds that may be used as drug candidates. It is found that the CH BDEs of the methyl groups attached to diverse heterocycles can dramatically vary from ca 80 to ca 100 kcal mol−1 (1 kcal = 4.184 kJ). Therefore, the benzylic positions of different heterocycles may have remarkably different metabolic stabilities varying by ∼1012‐fold. The heteroatoms in the aromatic rings vary the benzylic BDEs either by delocalizing the spin or by changing the charge carried by the radical center. N‐Methyl groups have systematically higher CH BDEs than C‐methyl groups. NH, O and S groups have similar effects on the benzylic CH BDEs. A methyl group at the α‐position relative to the NH, O and S groups usually has a lower BDE than that at the β‐position. On the other hand, the N group has a different effect on the benzylic CH BDEs. A methyl group at the β‐position relative to N has a lower CH BDE than that at the α‐position. There is a special aromatization effect associated with 1‐methyl‐2H‐isoindole, 1‐methylisobenzofuran, 1‐methylbenzo[c]thiophene and related compounds. This aromatization effect dramatically decreases the benzylic CH BDEs. Finally, an interesting QSAR model has been developed. This model not only can successfully predict the benzylic CH BDEs of diverse heterocyclic compounds, but also can clearly and quantitatively reveal the mechanisms for the variation of the CH BDEs. Copyright © 2004 John Wiley & Sons, Ltd.
Relationship between calculated core‐electron binding energy shifts and Hammett substituent (sigma) constants: I
Authors: Takahata Yuji 
Published: September 2004

AbstractFor monosubstituted benzenes (Ph‐Z), Linderberg et al. demonstrated the validity of the equation ΔCEBE ≈ κσ, where ΔCEBE is the difference between the core‐electron binding energies (CEBE) of a specific carbon in monosubstituted benzene derivatives (Ph‐Z) and that of unsubstituted benzene (Ph‐H), κ is related to the reaction constant and σ is the experimental Hammett sigma constant. CEBEs of carbon atoms for a series of Ph‐Z were calculated using density functional theory (DFT) with the scheme ΔEKS(PW86‐PW91)/TZP+Crel//HF/6‐31G*. An average absolute deviation of 0.15 eV was obtained with respect to observed values. A linear regression analysis of the form Y = A+BX of a plot of, for instance, Hammett σp‐constants against calculated ΔCEBEs (in eV) at para‐carbon for n = 11 produced a value of A = −0.1310 and B = 1.056 with a correlation coefficient R = 0.983, a standard deviation of 0.099 and a p‐value  < 0.0001. Copyright © 2004 John Wiley & Sons, Ltd.