bluuebunny/crossref_metadata_2025 huggingface dataset:
5‐Chromonylidene‐hydantoins, 2‐Thiohydantoins, Synthesis and Reaction with Some Alkylhalides, Some Amines and Some Diazoalkanes.
Authors: Aly Youssef Lotfy
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Reaction of Polyfluorinated β‐Diimines with Ketones. A Novel Method for the Synthesis of Fluorinated Pyridines.
Authors: Petrova O. E. , Kurykin M. A. , Mysov E. I.
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Synthesis of 9‐Acridinyl Sulfur Derivatives: Sulfides, Sulfoxides and Sulfones. Comparison of Their Activity on Tumor Cells.
Authors: Santelli‐Rouvier Christiane , Barret Jean‐Marc , Farrell Christopher M. , Sharples Derek , Hill Bridget T. , Barbe Jacques
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Fluorescent 7‐Deazapurine Derivatives from 5‐Iodocytosine via a Tandem Cross‐Coupling—Annulation Reaction with Terminal Alkynes.
Authors: Hudson Robert H. E. , Dambenieks Andrew K. , Viirre Russell D.
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Structural Variations of Piritrexim, a Lipophilic Inhibitor of Human Dihydrofolate Reductase: Synthesis, Antitumor Activity and Molecular Modeling Investigations.
Authors: Zink Mario , Lanig Harald , Troschuetz Reinhard
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
A Novel Synthetic Routes to New 3‐Substituted‐4‐oxo‐3,4,5,6,7,8‐hexahydropyrido[4′,3′,4,5]thieno [2,3‐d]pyrimidine‐7‐carboxylic Acid Ethyl Ester Derivatives.
Authors: Ahmed E. Kh. , Abdel‐latif F. F. , Ameen M. A.
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Synthesis of Thieno[2,3‐d]pyrimidines from 6‐Imino‐6H‐1,3‐thiazine Hydroperchlorates.
Authors: Briel D.
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Synthetic Approaches to Physiologically Active Polycyclic Compounds. Part 5. Ritter Reaction of 4‐Hydroxyadamantan‐2‐one.
Authors: Averina N. V. , Zefirova O. N. , Zefirov N. S. , Chekhlov A. N. , Shilov G. V. , Aldoshin S. M.
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Synthesis of 2‐Aryl‐7‐(3‐oxo‐2H‐[1,4]‐benzoxazin‐6‐yl)pyrazolo[1,5‐a]pyrimidines as Potential COX‐2‐Inhibitors.
Authors: Reddy G. Jagath , Sailaja S. , Rao K. Srinivasa , Reddanna P. , Reddy D. Bharat
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
20‐Deoxy‐20‐fluorocamptothecin: Design and Synthesis of Camptothecin Isostere.
Authors: Shibata Norio , Ishimaru Takehisa , Nakamura Mai , Toru Takeshi
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
A Convenient Synthesis of New Purinyl‐homo‐carbonucleosides on a Cyclopentane Ring Fused with Pyridazine.
Authors: Caamano Olga , Gomez Generosa , Fernandez Franco , Garcia Marcos Daniel , Garcia‐Mera Xerardo , De Clercq Eric
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Guangsangons F—J, Antioxidant and Antiinflammatory Diels—Alder Type Adducts, from Morus macroura Miq.
Authors: Dai Sheng‐Jun , Ma Zhi‐Bo , Wu Yan , Chen Ruo‐Yun , Yu De‐Quan
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Laser‐Induced Chemistry: An Advanced Tool for Micro Structuring, Synthesis, and Modification of Materials
Authors: Metev Simeon , Stephen Andreas , Schwarz Joerg , Wochnowski Carsten
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Preparation of Novel Porous Oxide Catalysts from Metal‐Containing Silsesquioxanes
Authors: Wada Kenji , Tada Kiyohiko , Itayama Naohiko , Yamada Koichi , Kondo Teruyuki , Mitsudo Take‐aki
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Carbene Complexes of Nonmetals
Authors: Kirmse Wolfgang
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Diastereodifferentiating Photoreactions
Authors: Hoffmann Norbert , Pete Jean‐Pierre
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Recent Developments in Cyclization Reactions of α‐Aminoalkyl Radicals
Authors: Aurrecoechea Jose M. , Suero Ruben
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Selective Alkane Oxidation: Hot and Cold Approaches to a Hot Problem
Authors: Labinger Jay A.
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Reactive Solvent Extraction
Authors: Bart Hans‐Joerg , Stevens Geoffrey W.
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Solid Superacid Catalysts and Their Applications
Authors: Sohn Jong Rack
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Organized Molecular Assemblies: Creation and Investigation of Their Functional Properties
Authors: Repinsky Sergey M.
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Direct Energy Recovery from Primary and Secondary Sludges by Supercritical Water Oxidation
Authors: Svanstrom M. , Modell M. , Tester J.
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Synthesis, Purification and Crystallization of Guanine‐rich RNA Oligonucleotides
Authors: Pan Baocheng , Shi Ke , Sundaralingam Muttaiya
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Description of π‐Conjugation Effects by Means of Torsional Energy Profiles
Authors: Sancho‐Garcia J. C. , Perez‐Jimenez A. J.
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Thermal Conductivity Correlations for Minor Constituent Fluids in Natural Gas: n‐Octane, n‐Nonane and n‐Decane
Authors: Huber M. L. , Perkins R. A.
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Chemical—Biological Interactions in Human
Authors: Verma Rajeshwar P. , Kurup Alka , Mekapati Suresh B. , Hansch Corwin
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Electrochemical Studies of Biologically Important Systems
Authors: Yosypchuk Bogdan , Novotny Ladislav , Heyrovsky Michael , Sokolova Romana , Hromadova Magdalena , Pospisil Lubomir , Sestakova Ivana , Senholdova‐Dlaskova Zdenka , Navratil Tomas , Pristoupilova Kamila , et al. et al.
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Chemistry and Algebra
Authors: Gutman I.
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Spiroconjugation in 1‐, 2‐, and 3‐Dimensions: The Foundations of a Spiro Quantum Chemistry
Authors: Bucknum Michael J. , Castro Eduardo A.
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Critical Properties of Condensation of Field‐Induced Triplet Quasiparticles
Authors: Kawashima Naoki
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Diffusion NMR Spectroscopy in Supramolecular and Combinatorial Chemistry: An Old Parameter — New Insights
Authors: Cohen Yoram , Avram Liat , Frish Limor
Published: April 2005

For Abstract see ChemInform Abstract in Full Text.
Monitoring proton dissociation and solution conformation of chiral ytterbium complexes with near‐IR CD
Authors: Lelli Moreno , Pintacuda Guido , Cuzzola Angela , Di Bari Lorenzo
Published: April 2005

The ytterbium complex [Yb((S)‐THP)]3+ ((S)‐THP = (1S,4S,7S,10S‐tetrakis(2‐hydroxypropyl)‐1,4,7,10‐tetraazacyclododecane) is investigated in solution through NMR, near‐IR absorption, and CD spectroscopy. Quantitative analysis of the paramagnetic pseudocontact NMR shift shows Λ helicity of the ligand cage around the metal. The NIR CD spectrum recorded at acidic pH is found to be very similar to that of [Yb((R)‐DOTMA)]− ((R)‐DOTMA = (1R,4R,7R,10R)‐α,α′,α′′,α′′′‐tetramethyl‐1,4,7,10‐tetraazacyclododecane‐1,4,7,10‐tetraacetic acid), which in solution assumes a twisted square antiprism (TSA) conformation. The similarity of the NIR CD spectra is discussed, and it is the first proof of the Λ(λ,λ,λ,λ) conformation of [Yb((S)‐THP)]3+. NIR CD spectra recorded in the pH range of 2–9 allow one to easily follow proton dissociation and to calculate the pK of this equilibrium in water (pKA = 6.4 ± 0.1). This value agrees well with that determined for [Lu((S)‐THP)]3+ using potentiometric methods. This demonstrates once again that NIR CD spectroscopy is a powerful technique for investigating the solution structure and dynamics of these complexes. Chirality 17:201–211, 2005. © 2005 Wiley‐Liss, Inc.
Determination of enantiomeric composition of (−)‐(R)‐2‐tert‐butyltetrahydroimidazolidin‐4‐one by polarimetry, 1H NMR, and chiral SFC
Authors: Garcia‐Martinez Cirilo , Hernandez Gilberto , Biba Mirlinda , Welch Christopher J.
Published: April 2005

Partial resolution of rac‐2‐tert‐butyltetrahydroimidazolidin‐4‐one was carried out by recrystallization of diastereomeric salts. The enantiomeric composition of enriched samples was estimated by polarimetry, 1H NMR, and chiral SFC. Enantiomeric composition estimated by polarimetry or by 1H NMR was directly proportional to that estimated by chiral SFC. The occurrence of solute self‐association in chloroform was detected through measurements of optical and specific rotation at variable concentration of (−)‐(R)‐2‐tert‐butyltetrahydroimidazolidin‐4‐one. Our data suggest that solute self‐association in chloroform might be independent of enantiomeric composition. Chirality 17:212–217, 2005. © 2005 Wiley‐Liss, Inc.
Autoxidation of Cyclohexane: Conventional Views Challenged by Theory and Experiment
Authors: Hermans Ive , Nguyen Thanh Lam , Jacobs Pierre A. , Peeters Jozef
Published: April 2005

In spite of its industrial importance, the detailed reaction mechanism of cyclohexane autoxidation by O2 is still insufficiently known. Based on quantum chemical potential energy surfaces, rate coefficients of the primary and secondary chain propagation steps involving the cyclohexylperoxyl (CyOO.) radical were evaluated using multiconformer transition‐state theory. Including tunneling and hindered‐internal‐rotation effects, the rate coefficient for hydrogen‐atom abstraction from cyclohexane (CyH) by CyOO. was calculated to be k(T)=1.46×10−11×exp(−17.8 kcal mol−1/RT) cm3 s−1 (300–600 K), close to the experimental data. A “Franck–Rabinowitch cage” reaction between the nascent cyclohexylhydroperoxide (CyOOH) and cyclohexyl radical, products from CyOO.+CyH, is put forward as an initially important cyclohexanol (CyOH) formation channel. αH abstraction by CyOO. from cyclohexanone was calculated to be only about five times faster than that from CyH, too slow to explain all the observed side products. The α‐hydrogen (αH) abstractions from CyOH and CyOOH by CyOO. are predicted to be about 10 and 40 times faster, respectively, than the CyOO.+CyH reaction. The very fast CyOO.+CyOOH reaction proceeds through the unstable Cy−αH.OOH radical that decomposes spontaneously into the ketone (QO) plus the .OH radical; the “hot” .OH is found to produce the bulk of the alcohol via a second, “activated cage” reaction analogous to that above. It is thus shown how the very reactive CyOOH intermediate is the predominant source of ketone and alcohol, while it also leads to some side products. The α‐hydroxy‐cyclohexylperoxyl radical formed during the moderately fast oxidation of CyOH is shown to decompose fast into HO2.+cyclohexanone in a rapidly equilibrated reaction, which constitutes a smaller, second ketone source. These two fast cyclohexanone forming routes avoid the need for unfavorable molecular routes hitherto invoked as ketone sources. The theoretical predictions are supported and complemented by experimental findings. The newly proposed scheme is also largely applicable to the oxidation of other hydrocarbons, such as toluene, xylene, and ethylbenzene.
Mechanical Response Analysis and Power Generation by Single‐Cell Stretching
Authors: Micoulet Alexandre , Spatz Joachim P. , Ott Albrecht
Published: April 2005

To harvest useful information about cell response due to mechanical perturbations under physiological conditions, a cantilever‐based technique was designed, which allowed precise application of arbitrary forces or deformation histories on a single cell in vitro. Essential requirements for these investigations are a mechanism for applying an automated cell force and an induced‐deformation detection system based on fiber‐optical force sensing and closed loop control. The required mechanical stability of the setup can persist for several hours since mechanical drifts due to thermal gradients can be eliminated sufficiently (these gradients are caused by local heating of the cell observation chamber to 37 °C). During mechanical characterization, the cell is visualized with an optical microscope, which enables the simultaneous observation of cell shape and intracellular morphological changes. Either the cell elongation is observed as a reaction against a constant load or the cell force is measured as a response to constant deformation. Passive viscoelastic deformation and active cell response can be discriminated. The active power generated during contraction is in the range of Pmax=10−16 Watts, which corresponds to 2500 ATP molecules s−1 at 10 kBT/molecule. The ratio of contractive to dissipative power is estimated to be in the range of 10−2. The highest forces supported by the cell suggest that about 104 molecular motors must be involved in contraction. This indicates an energy‐conversion efficiency of approximately 0.5. Our findings propose that, in addition to the recruitment of cell‐contractile elements upon mechanical stimulation, the cell cytoskeleton becomes increasingly crosslinked in response to a mechanical pull. Quantitative stress–strain data, such as those presented here, may be employed to test physical models that describe cellular responses to mechanical stimuli.
Noncovalent Complexes between Dimethyl Ether and Formic Acid—An Ab Initio and Matrix Isolation Study
Authors: Sánchez‐García Elsa , Studentkowski Marc , Montero Luis A. , Sander Wolfram
Published: April 2005

The complexes formed by noncovalent interactions between formic acid and dimethyl ether are investigated by ab initio methods and characterized by matrix isolation spectroscopy. Six complexes with binding energies between −2.26 and −7.97 kcal mol−1 (MP2/cc‐pVTZ+zero point vibrational energy+basis set superposition erros) are identified. The two strongest bound complexes are, within a range of 0.3 kcal mol−1, isoenergetic. The binding in these six dimers can be described in terms of OH⋅⋅⋅O, CO⋅⋅⋅H, CO⋅⋅⋅H and CH⋅⋅⋅O interactions. Matrix isolation spectroscopy allowed to characterize the two strongest bound complexes by their infrared spectra.
Reliability evaluation considering customized power quality supply in FRIENDS
Authors: Mitsukuri Yuki , Kita Hiroyuki , Hara Ryoichi , Tanaka Eiichi , Hasegawa Jun
Published: April 2005

The authors have proposed a Flexible, Reliable and Intelligent ENergy Delivery System (called “FRIENDS”), which is a new concept for a future power distribution system. One of the most important feature of FRIENDS is to be able to manage the reliability of power supply. In this paper, FRIENDS and a conventional distribution system are compared quantitatively as to supply reliability and cost through time sequential Monte Carlo simulation. © 2005 Wiley Periodicals, Inc. Electr Eng Jpn, 151(4): 25–35, 2005; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/eej.20053
Slot antenna‐coupled thin‐film warm carrier far‐infrared radiation detectors
Authors: Yasuoka Yoshizumi , Suzuki Kenji
Published: April 2005

Slot antenna‐coupled thin‐film warm carrier devices were fabricated, and the detection properties were investigated at 94 and 700 GHz. Two‐dimensional 8 × 3 slot antenna arrays fed by a coplanar waveguide were used as the antennas. The thin‐film antennas were fabricated with a photolithographic method, and the warm carrier detectors, which have a contact area of 8 × 10−10cm2, were fabricated with an electron beam lithographic method. The experimental results indicate that the fabricated devices receive the far‐infrared radiation with antenna and rectified it with nonlinear I–V characteristic. By changing the antenna from the single‐slot antenna to the two‐dimensional 8 × 3 slot antenna array, the detected sensitivity improved by 11 dB. © 2005 Wiley Periodicals, Inc. Electr Eng Jpn, 151(4): 1–6, 2005; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/eej.20083
Spindle pole fragmentation due to proteasome inhibition
Authors: Ehrhardt Anka G. , Sluder Greenfield
Published: April 2005

During interphase, the centrosome concentrates cell stress response molecules, including chaperones and proteasomes, into a proteolytic center. However, whether the centrosome functions as proteolytic center during mitosis is not known. In this study, cultured mammalian cells were treated with the proteasome inhibitor MG 132 and spindle morphology in mitotic cells was characterized in order to address this issue. Proteasome inhibition during mitosis leads to the formation of additional asters that cause the assembly of multipolar spindles. The cause of this phenomenon was investigated by inhibiting microtubule‐based transport and protein synthesis. These experimental conditions prevented the formation of supernumerary asters during mitosis. In addition, the expression of dsRed without proteasome inhibition led to the fragmentation of spindle poles. These experiments showed that the formation of extra asters depends on intact microtubule‐based transport and protein synthesis. These results suggest that formation of supernumerary asters is due to excessive accumulation of proteins at the spindle poles and consequently fragmentation of the centrosome. Together, this leads to the conclusion that the centrosome functions as proteolytic center during mitosis and proteolytic activity at the spindle poles is necessary for maintaining spindle pole integrity. © 2005 Wiley‐Liss, Inc.
Pharmacogenomics in colorectal carcinomas: Future perspectives in personalized therapy
Authors: Russo Antonio , Corsale Simona , Cammareri Patrizia , Agnese Valentina , Cascio Sandra , Di Fede Gaetana , Macaluso Marcella , Bazan Viviana
Published: April 2005

The recent introduction of new drugs such as capecitabine, irinotecan, and oxaliplatinum has greatly improved the clinical outcome of patients with advanced/metastatic colorectal cancer. Nevertheless, some patients may suffer from the adverse drug reactions which will probably be the main cause of chemotherapy failure. The goal of pharmacogenomics is to find correlations between therapeutic responses to drugs and the genetic profiles of patients; the different responses to a particular drug are due, in fact, not only to the specific clinico‐pathological features of the patient or to environmental factors, but also to the ethnic origins and the particular individual's genetic profile. Genes which codify for the metabolism enzymes, receptor proteins, or protein targets of chemotherapy agents often present various genetic polymorphisms. The main aim of this review is to provide an overview of the known polymorphisms present in the genes which codify for factors (thymidylate synthase dihydropyrimidine dehydrogenase, uridine diphosphate (UDP)‐glucuronosyl‐transferase 1A1, enzymes implicated in DNA repair) involved in the action mechanisms of the drugs now utilized in chemotherapeutic treatment of colorectal carcinoma, such as fluoropyrimidines, irinotecan, and platinum agents. © 2005 Wiley‐Liss, Inc.
Polyamine depletion inhibits NF‐κB binding to DNA and interleukin‐8 production in human chondrocytes stimulated by tumor necrosis factor‐α
Authors: Facchini Annalisa , BorzÍ Rosa Maria , Marcu Kenneth B. , Stefanelli Claudio , Olivotto Eleonora , Goldring Mary B. , Facchini Andrea , Flamigni Flavio
Published: April 2005

The activation of the NF‐κB pathway by pro‐inflammatory cytokines, such as tumor necrosis factor‐α (TNFα), can be an important contributor for the re‐programming of chondrocyte gene expression, thereby making it a therapeutic target in articular diseases. To search for new approaches to limit cartilage damage, we investigated the requirement of polyamines for NF‐κB activation by TNFα in human C‐28/I2 chondrocytes, using α‐difluoromethylornithine (DFMO), a specific polyamine biosynthesis inhibitor. The NF‐κB pathway was dissected by using pharmacological inhibitors or by expressing a transdominant IκBα super repressor. Treatment of C‐28/I2 chondrocytes with TNFα resulted in a rapid enhancement of nuclear localization and DNA binding activity of the p65 NF‐κB subunit. TNFα also increased the level and extracellular release of interleukin‐8 (IL‐8), a CXC chemokine that can have a role in arthritis, in an NF‐κB‐dependent manner. Pre‐treatment of chondrocytes with DFMO, while causing polyamine depletion, significantly reduced NF‐κB DNA binding activity. Moreover, DFMO also decreased IL‐8 production without affecting cellular viability. Restoration of polyamine levels by the co‐addition of putrescine circumvented the inhibitory effects of DFMO. Our results show that the intracellular depletion of polyamines inhibits the response of chondrocytes to TNFα by interfering with the DNA binding activity of NF‐κB. This suggests that a pharmacological and/or genetic approach to deplete the polyamine pool in chondrocytes may represent a useful way to reduce NF‐κB activation by inflammatory cytokines in arthritis without provoking chondrocyte apoptosis. © 2005 Wiley‐Liss, Inc.
Extracellular acidification enhances DNA binding activity of MafG‐FosB heterodimer
Authors: Shimokawa Noriaki , Kumaki Iku , Qiu Chun‐Hong , Ohmiya Yoshihiro , Takayama Kiyoshige , Koibuchi Noriyuki
Published: April 2005

Cells are quite sensitive to a change of the extracellular pH and respond to it through detection of the H+/HCO level in extracellular fluid. However, little is known about molecular details induced by acidosis, such as intracellular pathways and gene expression. Here we describe properties of gene expression, protein interaction, and DNA binding activity of basic region leucine zipper (bZIP) transcription factor Maf and FosB during extracellular acidification. When cells were incubated with low pH medium, the expressions of small Maf proteins (MafG, MafK, and MafF) and FosB were clearly increased in an extracellular pH‐dependent manner and expressed transiently with a peak after 1–2 h after stimulation. Immunofluorescence and protein binding studies indicated that MafG was partially co‐localized with FosB in the nucleus and MafG can form heterodimers with FosB at extracellular pH 7.40. Moreover, we found that MafG–FosB complexes are able to bind to AP‐1 consensus sequence, TGACTCA. To investigate whether extracellular acidification influences to dimerization and DNA binding activity of MafG and FosB, extracellular pH of cultured cells was decreased from 7.40 to 6.80. The decrease in extracellular pH led to enhanced dimerization of MafG with FosB leading to augmentation of the DNA binding activity of the heterodimer to AP‐1 consensus sequence. Moreover, extracellular acidification induces mRNA expression of matrix metalloproteinase‐1, one of the genes that are regulated by AP‐1. These results suggest that MafG–FosB complexes are involved in transcriptional regulation in response to extracellular acidification. © 2005 Wiley‐Liss, Inc.
Circular chromatic index of graphs of maximum degree 3
Authors: Afshani Peyman , Ghandehari Mahsa , Ghandehari Mahya , Hatami Hamed , Tusserkani Ruzbeh , Zhu Xuding
Published: April 2005

This paper proves that if G is a graph (parallel edges allowed) of maximum degree 3, then χ′c(G) ≤ 11/3 provided that G does not contain H1 or H2 as a subgraph, where H1 and H2 are obtained by subdividing one edge of K (the graph with three parallel edges between two vertices) and K4, respectively. As χ′c(H1) = χ′c(H2) = 4, our result implies that there is no graph G with 11/3 < χ′c(G) < 4. It also implies that if G is a 2‐edge connected cubic graph, then χ′c(G) ≤ 11/3. © 2005 Wiley Periodicals, Inc. J Graph Theory 49: 325–335, 2005
Prevention of coronary artery disease in cancer patients
Authors: Jurado Javier , Thompson Paul D.
Published: April 2005

Improvements in cancer treatment are increasing survival rates, placing cancer survivors at increased risk of coronary artery disease (CAD). Thoracic radiation as cancer therapy can accelerate the atherosclerotic process, and some older studies suggest that mediastinal radiation can increase the CAD risk two to fivefold. The management of serum lipids using diet and drugs is the cornerstone of efforts designed to reduce CAD events. The present article reviews the association between radiation and coronary disease and provides guidelines for the prevention of atherosclerotic CAD in this patient group and in the general population of cancer survivors. Pediatr Blood Cancer 2005;44:620–624. © 2005 Wiley‐Liss, Inc.
Folding pathways forinitiatorandeffectorprocaspases from computer simulations
Authors: Piana Stefano , Taylor Zoe , Rothlisberger Ursula
Published: April 2005

The folding pathways of procaspases 3, 7, and 8 have been studied using a Gô‐like Hamiltonian and molecular dynamics simulations coupled with a parallel tempering scheme. The folding pathways and the overall structures of procaspases 3 and 7 are similar, and are characterized by monomeric as well as dimeric folding intermediates in agreement with the available structural and thermochemical data. The folding pathway of procaspase 8, on the other hand, is characterized by a larger population of monomers and partially folded dimer intermediates, and only a relatively small population of folded dimer species. The most stable structure predicted for procaspase 8 is a dimer, in which the position of the linker is remarkably different from the one observed in procaspases 3 and 7, leading to the fact that all the contacts that stabilize the active site are essentially formed. This novel and unexpected structure provides a rationale for the observed activity of the procaspase 8 dimer, and thus could be highly relevant for the initiation of FAS‐mediated apoptosis. Proteins 2005. © 2005 Wiley‐Liss, Inc.
GSA algorithm applied to electronic structure: Hartree–Fock–GSA method
Authors: de Andrade M. D. , Mundim K. C. , Malbouisson L. A. C.
Published: April 2005

A stochastical algorithm to investigate the real closed‐shell Hartree–Fock problem is proposed. The approach is based on a global optimization method, the generalized simulated annealing. We tested this methodology by determining the Hartree–Fock ground state of the H2, LiH, BH, Li2, OH−, FH, CO, N2, BeH2, CH2, H2O, NH3, HCHO, CH4 molecular systems using minimal, double‐zeta, and triple‐zeta bases. The main characteristic of this method is that it enables mapping the electronic hypersurface to find minima with the guarantee of finding the absolute minimum of the functional in focus. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Possible steps to the emergence of life: The [GADV]‐protein world hypothesis
Authors: Ikehara Kenji
Published: April 2005

Based on the fact that RNA has not only a genetic function but also a catalytic function, the RNA world theory on the origin of life was first proposed about 20 years ago. The theory assumes that RNA was amplified by self‐replication to increase RNA diversity on the primitive earth. Since then, the theory has been widely accepted as the most likely explanation for the emergence of life. In contrast, we reached another hypothesis, the [GADV]‐protein world hypothesis, which is based on pseudo‐replication of [GADV]‐proteins. We reached this hypothesis during studies on the origins of genes and the genetic code, where [G], [A], [D], and [V] refer to Gly, Ala, Asp, and Val, respectively. In this review, possible steps to the emergence of life are discussed from the standpoint of the [GADV]‐protein world hypothesis, comparing it in parallel with the RNA world theory. It is also shown that [GADV]‐peptides, which were produced by repeated dry‐heating cycles and by solid phase peptide synthesis, have catalytic activities, hydrolyzing peptide bonds in a natural protein, bovine serum albumin. These experimental results support the [GADV]‐protein world hypothesis for the origin of life. © 2005 The Japan Chemical Journal Forum and Wiley Periodicals, Inc. Chem Rec 5: 107–118; 2005: Published online in Wiley InterScience (www.interscience.wiley.com) DOI 10.1002/tcr.20037
The Ethics of Placebo‐controlled Trials: A Comparison of Inert and Active Placebo Controls
Authors: Edward Sarah J. L. , Stevens Andrew J. , Braunholtz David A. , Lilford Richard J. , Swift Teresa
Published: April 2005

Because of the recent and controversial example of sham surgery for the evaluation of fetal tissue transplants for Parkinson’s disease, there is renewed interest in the ethics of using “active” placebos in surgical trials, where otherwise there are no inert procedures available, and in pharmacological trials, where there are inert substances, but where patients may guess to which arm they have been allocated. This paper seeks to clarify the ethical arguments surrounding the use of active placebos in trials, and to set up a notation for assessing the ethics of trials more generally. We first establish an framework by which ethics committees can analyze such trials. We examine (1) the scientific value of the research; (2) the expected risks and benefits to individual patients, and (3) the voluntary nature of consent. We then contrast the implications of this framework for inert and active placebo‐controlled trials, respectively. In particular, we analyze their relative expected utility using three main utility factors, namely, treatment effects, placebo effects, and altruism. We conclude that, when the intervention is already widely available, active placebo trials rely more heavily on altruism than do inert placebo trials and, when the intervention is restricted, this excess reliance may not be needed. What our analysis provides is the explicit justification for the apparent caution of Institutional Review Boards or ethics committees when reviewing sham operations, especially when the expected harm is not trivial and the risk of exploitation is high.
How To Analyze an Article
Authors: Urschel John D.
Published: April 2005

In clinical research investigators generalize from study samples to populations, and in evidence‐based medicine practitioners apply population‐level evidence to individual patients. The validity of these processes is assessed through critical appraisal of published articles. Critical appraisal is therefore a core component of evidence‐based medicine (EBM). The purpose of critical appraisal is not one of criticizing for criticism’s sake. Instead, it is an exercise in assigning a value to an article. A checklist approach to article appraisal is outlined, and common pitfalls of analysis are highlighted. Relevant questions are posed for each section of an article (introduction, methods, results, discussion). The approach is applicable to most clinical surgical research articles, even those of a nonrandomized nature. Issues specific to evidence‐based surgical practice, in contrast to evidence‐based medicine, are introduced.
Malignant Triton Tumor Presenting as a Rectal Mass in an 11-Month-Old
Authors: Ellison Dale A. , Corredor-Buchmann Julissa , Parham David M. , Jackson Richard J.
Published: April 2005

We report the case of an 11-month-old white male who had a family history of neurofibromatosis, had multiple café-au-lait spots on the trunk and extremities, and was diagnosed with a malignant triton tumor of the rectum. To our knowledge, this is the first report of a malignant triton tumor of the rectum and one of the youngest patients reported with the tumor.
Effect of long‐term grazing on soil organic carbon content in semiarid steppes in Inner Mongolia
Authors: Cui Xiaoyong , Wang Yanfen , Niu Haishan , Wu Jing , Wang Shiping , Schnug Ewald , Rogasik Jutta , Fleckenstein Jürgen , Tang Yanhong
Published: April 2005

To clarify the response of soil organic carbon (SOC) content to season‐long grazing in the semiarid typical steppes of Inner Mongolia, we examined the aboveground biomass and SOC in both grazing (G‐site) and no grazing (NG‐site) sites in two typical steppes dominated by Leymus chinensis and Stipa grandis, as well as one seriously degraded L. chinensis grassland dominated by Artemisia frigida. The NG‐sites had been fenced for 20 years in L. chinensis and S. grandis grasslands and for 10 years in A. frigida grassland. Aboveground biomass at G‐sites was 21–35% of that at NG‐sites in L. chinensis and S. grandis grasslands. The SOC, however, showed no significant difference between G‐site and NG‐site in both grasslands. In the NG‐sites, aboveground biomass was significantly lower in A. frigida grassland than in the other two grasslands. The SOC in A. frigida grassland was about 70% of that in L. chinensis grassland. In A. frigida grassland, aboveground biomass in the G‐site was 68–82% of that in the NG‐site, whereas SOC was significantly lower in the G‐site than in the NG‐site. Grazing elevated the surface soil pH in L. chinensis and A. frigida communities. A spatial heterogeneity in SOC and pH in the topsoil was not detected the G‐site within the minimal sampling distance of 10 m. The results suggested that compensatory growth may account for the relative stability of SOC in G‐sites in typical steppes. The SOC was sensitive to heavy grazing and difficult to recover after a significant decline caused by overgrazing in semiarid steppes.
Automation in Pharmaceutical Profiling
Authors: Kerns Edward H. , Di Li
Published: April 2005

Pharmaceutical profiling is the characterization of the physicochemical and metabolic properties of compounds during drug discovery. The data alerts project teams to compound liabilities, helps to diagnose complex in vivo processes such as bioavailability, helps to better plan and interpret discovery experiments, and provides feedback for synthetic chemical modifications to the structure that are designed to improve properties. Automation plays an important role in obtaining diverse sets of property data for thousands of compounds per year with short turnaround times that match discovery workflow. Key elements of automation in profiling include liquid handling, high capacity detection, and data processing and reporting. Key information is obtained from high throughput assays for integrity, permeability, solubility, stability, cytochrome P450 inhibition, lipophilicity, and pKa. Automated assays for these properties are discussed.
High-Throughput, Precise Protein Stability Measurements Facilitated by Robotics
Authors: Yi Fang , Sims Dorothy A. , Pielak Gary J. , Edgell Marshall H.
Published: April 2005

Protein stability is a standard metric to study the relationship between protein sequence and stability. Here we show that laboratory automation can be used to increase both the precision and the throughput of stability measurements. A laboratory automation workstation was used to purify his-tagged eglin c proteins in 96-well format and to prepare protein solutions for solvent denaturation on a semiautomated titrating fluorometer. Using this setup, we have attained a throughput of about 20 stability measurements per day. The robotics facilitate precise stability measurements in which the standard deviation of values from multiple protein preparations (±0.05 kcal/mol) differs little from multiple measurements from a single preparation (±0.04 kcal/mol), while the measurement errors in the literature ranges from 0.10-0.60 kcal/mol. Our approach can be applied to evaluate the consequences of mutation in any fast-folding protein. Large numbers of high-precision stability values derived from mutation are useful for parameterizing models about protein stability determinants and testing models for predicting protein stability and structure based on protein sequence information.
Application of GIS for processing and establishing the correlation between weather radar reflectivity and precipitation data
Authors: Gorokhovich Y. , Villarini G.
Published: April 2005

Correlation between weather radar reflectivity and precipitation data collected by rain gauges allows empirical formulae to be obtained that can be used to create continuous rainfall surfaces from discrete data. Such surfaces are useful in distributed hydrologic modelling and early warning systems in flood management. Because of the spatial relationship between rain gauge locations and radar coverage area, GIS provides the basis for data analysis and manipulation. A database of 82 radar stations and more than 1500 rain gauges in continental USA was compiled and used for the continuous downloading of radar images and rain data. Image sequences corresponding to rain events were extracted for two randomly selected radar stations in South and North Carolina. Rainfall data from multiple gauges within the radar zone of 124 nautical miles (nm) (∼230 km) were extracted and combined with corresponding reflectivity values for each time interval of the selected rain event. Data were normalised to one‐hour intervals and then statistical analysis was applied to study the potential correlation. Results of regression analysis showed a significant correlation between rain gauge data and radar reflectivity values and allowed derivation of empirical formulae. Copyright © 2005 Royal Meteorological Society.
International Class Conflict and Social Policy
Authors: Farnsworth Kevin
Published: April 2005

The history of welfare states is marked by divisions between capital and labour and these divisions are replicated at the international level. At the heart of these divisions is enduring class interests which accord different priorities to social and economic factors. That these divisions exist is neither surprising, nor necessarily a problem; the problem, this paper argues, is the increasingly high priority given to business interests by ever more powerful international governmental organisations. This paper presents an analysis of power in the global economy before investigating the social policy preferences of key international capital and labour organisations. It argues that international class mobilisation has failed to produce very much of a compromise on the part of capital, and that, if anything, international social policy discourse is today even closer to business than it has ever been.
Phonologische Bewusstheit und ihre Förderung bei Kindern mit Störungen der Sprachentwicklung
Authors: Marx Peter , Weber Jutta , Schneider Wolfgang
Published: April 2005

Zusammenfassung. Die Bedeutung der phonologischen Bewusstheit und ihrer vorschulischen Förderung für das Erlernen des Lesens und Rechtschreibens ist inzwischen umfangreich dokumentiert. Relativ wenig ist jedoch darüber bekannt, welche individuellen Voraussetzungen, insbesondere im sprachlichen Bereich, für eine erfolgreiche Förderung der phonologischen Bewusstheit wesentlich sind. Zudem wurde das Konzept der phonologischen Bewusstheit bisher kaum in den Kontext der Sprachentwicklung eingebettet. In der vorliegenden Trainingsstudie wurden Kinder aus Regelkindergärten und aus vorschulischen Einrichtungen von Sprachheilschulen untersucht. Vor und nach einem Training der phonologischen Bewusstheit und der Buchstaben-Laut-Zuordnung wurden Tests zur phonologischen Bewusstheit durchgeführt. Zudem wurden vor dem Training Aufgaben zu Grammatik und Wortschatz eingesetzt, um Kinder mit Defiziten in diesen Bereichen zu ermitteln. Kinder mit Grammatik- oder Wortschatzdefiziten zeigten deutlich schlechtere Leistungen in der phonologischen Bewusstheit als in den jeweiligen Bereichen unauffällige Kinder. Beide Gruppen profitierten jedoch von einem Training der phonologischen Bewusstheit hinsichtlich der unmittelbaren Trainingseffekte. Offen bleiben müssen bislang allerdings die Fragen bezüglich der Stabilität dieser Effekte und des Transfers auf die Lese- und Rechtschreibleistungen.
Measurement of saltation process over gobi and sand dunes in the Taklimakan desert, China, with newly developed sand particle counter
Authors: Mikami Masao , Yamada Yutaka , Ishizuka Masahide , Ishimaru Taminoe , Gao Weidong , Zeng Fanjiang
Published: April 2005

The Japan‐Sino joint project, Aeolian Dust Experiment on Climate impact (ADEC), was initiated in April 2000 in order to understand the aeolian dust impact on climate via radiative forcing. As a part of the ADEC project, we have conducted field research in a sand dune and a gobi (i.e., a desert in which the soil surface consists of sand and pebbles with flat surfaces) in the south of the Taklimakan desert, China. The purpose of this study is to understand the wind erosion process and its relation to the meteorological and soil physical parameters. For this purpose, we measured the vertical profiles of wind speed, air temperature, and humidity as well as the other meteorological elements using an automatic weather station. A new sand particle counter (SPC) was newly developed to measure the saltation process. The SPC detects a signal change when a saltation particle passes through the slit between the laser beam transmitter and receiver. From this signal change, we can measure saltation particles from 30 to 667 μm diameter with 32 bin classes and particle numbers of each bin class every second. We have operated this SPC in the field, and it proved to be useful for the saltation process study when data corrections and calibration were properly made. During the observation period (1–21 April 2002), a total of eight dust events occurred; we analyzed two events: 5 April and 14 April cases. The results can be summarized as follows: (1) Total saltation fluxes in the 5 April case from 1223 to 1430 UT were 37.93 kg m−2 at 30 cm height and 43.71 kg m−2 at 20 cm height for the gobi site and 2.61 kg m−2 at 30 cm height for the dune site. (2) In the 14 April case, from 0327 to 0830 UT, the total saltation flux was 8.95 kg m−2 at 30 cm height for the gobi site. (3) Saltation flux at the gobi site in the 5 April case was more than 10 times larger than that of the sand dune, though the distance between the sites is 4 km. This is because the number of the parent soil particles around 80 μm at the gobi site was more than 10 times greater than that of the dune site. (4) Height dependency of saltation particle size and number was found in the gobi site; that is, the particle size distributions at the gobi sites in the 5 April case indicated that the number size distribution of the coarse particles, 117 to 554 μm, at 20 cm height was greater than that at 30 cm height. This size‐height dependency was reasonable from a physical point of view. However, present theory cannot explain this well.
An approximate but fast method to impose flexible distance constraints in molecular dynamics simulations
Authors: Christen Markus , van Gunsteren Wilfred F.
Published: April 2005

A fast but approximative method to apply flexible constraints to bond lengths in molecular dynamics simulations is presented and the effects of the approximation are investigated. The method is not energy conserving, but coupling to a temperature bath results in stable simulations. The high frequencies from bond-length vibrations are successfully removed from the system while maintaining the flexibility of the bonds. As a test liquid neopentane is simulated at different pressures. Energetic and dynamic properties are not affected by the new flexible constraint simulation method.
Comparison of classical and quantum dynamics for collinear cluster scattering
Authors: Bäck Andreas , Marković Nikola
Published: April 2005

The collinear dynamics of a cluster of four particles colliding with a fixed particle representing a surface is investigated using a four-dimensional wave packet approach. The properties of the system are chosen to resemble a water cluster interacting with graphite, but a deeper surface-particle potential is also considered causing significant dissociation of the cluster. Having four different product arrangement channels the system is quantum mechanically demanding but still manageable. The dynamical richness makes it a suitable benchmark system for evaluation of classical and quantum/classical schemes. The average energy transferred to the cluster and the three dissociation probabilities are presented as function of the initial state of the cluster. In addition to wave packet data, results obtained using quasiclassical as well as Wigner sampled classical trajectories are presented. The main conclusion is that classical mechanics can describe the dynamics of the system in a very satisfactory way. Including zero-point energy in the classical simulations is particularly important for a good description of dissociation but less important for energy transfer.
Ab initio calculations of structures and interaction energies of toluene dimers including CCSD(T) level electron correlation correction
Authors: Tsuzuki Seiji , Honda Kazumasa , Uchimaru Tadafumi , Mikami Masuhiro
Published: April 2005

The intermolecular interaction energy of the toluene dimer has been calculated with the ARS-F model (a model chemistry for the evaluation of intermolecular interaction energy between ARomatic Systems using Feller’s method), which was formerly called as the AIMI model III. The CCSD(T) (coupled cluster calculations with single and double substitutions with noniterative triple excitations) interaction energy at the basis set limit has been estimated from the second-order Møller–Plesset perturbation interaction energy at the basis set limit obtained by Feller’s method and the CCSD(T) correction term obtained using a medium-size basis set. The cross (C2) dimer has the largest (most negative) interaction energy (−4.08kcal∕mol). The antiparallel (C2h) and parallel (CS) dimers (−3.77 and −3.41kcal∕mol, respectively) are slightly less stable. The dispersion interaction is found to be the major source of attraction in the toluene dimer. The dispersion interaction mainly determines the relative stability of the stacked three dimers. The electrostatic interaction of the stacked three dimers is repulsive. Although the T-shaped and slipped-parallel benzene dimers are nearly isoenergetic, the stacked toluene dimers are substantially more stable than the T-shaped toluene dimer (−2.62kcal∕mol). The large dispersion interaction in the stacked toluene dimers is the cause of their enhanced stability.
Measurements of the mass distribution and instability growth for wire-array Z-pinch implosions driven by 14–20 MA
Authors: Sinars D. B. , Cuneo M. E. , Jones B. , Coverdale C. A. , Nash T. J. , Mazarakis M. G. , Porter J. L. , Deeney C. , Wenger D. F. , Adams R. G. , Yu E. P. , Bliss D. E. , Sarkisov G. S.
Published: April 2005

The mass distribution and axial instability growth of wire-array Z-pinch implosions driven by 14–20 MA has been studied using high-resolution, monochromatic x-ray backlighting diagnostics. A delayed implosion is consistently observed in which persistent, dense wire cores continuously ablate plasma until they dissipate and the main implosion begins. In arrays with small interwire gaps, azimuthally correlated axial instabilities appear during the wire ablation stage and subsequently seed the early growth of magneto-Rayleigh–Taylor instabilities. The instabilities create a distributed implosion front with trailing mass that may limit the peak radiation power.
Fluid description of ion dynamics in a toroidally confined plasma
Authors: Dieter Abinadab , Hazeltine R. D.
Published: April 2005

Fluid equations describing ion dynamics in a toroidally confined plasma at low collision frequency are derived. The principle motivation is to present a framework for incorporating basic neoclassical effects into a fluid theory. The ions are assumed to be magnetized in the sense that relevant scale lengths are much longer than the ion gyroradius, and time scales of interest are assumed long compared to the ion bounce time. These assumptions are consistent with, for example, the evolution of unstable magnetic islands, as well as conventional transport. A special case of the present description is the quasistatic, axisymmetric state with nearly uniform pressure and density on flux surfaces. In that case the equations reproduce the radial ion heat transport predicted by neoclassical transport theory. The essential feature of our derivation is its emphasis on heat flow in the direction of the magnetic field.