bluuebunny/crossref_metadata_2025_split huggingface dataset:
A case of extensive hyperostosis frontalis interna in an 87‐year‐old female human cadaver
Authors: Talarico Ernest F. , Prather Andrew D. , Hardt Kevin D. 
Published: March 2008

AbstractHyperostosis frontalis interna (HFI) is a condition that involves thickening of the inner surface of the frontal bone with sparing of the midline. Little is known about the etiology and clinical presentation of HFI. We report unusual findings in a woman with extensive Type D hyperostosis of the frontal bone and a large hyperostotic nodule in the parietal bone with impingement on the precentral gyrus, distinguishing this from the common form of HFI. The scalp was dissected from the cranial vault, and the calvaria and brain were removed and digitally imaged. Bone specimens were embedded in methyl methacrylate plastic, sectioned, and stained using the Von Kossa Method with MacNeal's tetrachrome. Medical records were reviewed, and additional history was obtained through interviews with the donor's family. The calvaria had extensive, bilateral thickening of the frontal bone with irregular topography and clearly demarcated borders. The dura was adherent to all hyperostotic regions. A 3.5‐cm nodule was visible on the inner table of the left parietal bone. The dura and cerebrum showed compression in this region, but it was unclear if this resulted in clinical ramifications. Microscopic analysis revealed a larger proportion of cancellous bone was present in regions of macroscopic hyperostosis. Quantitative analysis of sections through areas of gross hyperostosis demonstrated a lower proportion of lamellar bone than in the control. The patient exhibited symptoms that have been correlated to HFI in previous studies. We suggest that the HFI disease process was responsible for the manifestation of these symptoms in this patient. Clin. Anat. 21:259–268, 2008. © 2008 Wiley‐Liss, Inc.
Synthesis of Selenocysteine and Selenomethionine Derivatives from Sulfur‐Containing Amino Acids
Authors: Iwaoka Michio , Ooka Ryuta , Nakazato Toshifumi , Yoshida Sari , Oishi Sadahiro 
Published: March 2008

AbstractSelenium‐containing amino acids have attracted increasing interest from view points of the importance as active centers of several selenoenzymes, the biological synthesis, the metabolism, and the use for structure determination of proteins. In this article, our recent progresses in the transformation from sulfur‐containing amino acids to selenocysteine (SeCys) and selenomethionine (SeMet) derivatives are reviewed along with the surveys of general organic methodologies for the synthesis of SeCys and SeMet derivatives in the literature. The S→Se modification (i.e., the chemical atomic mutation) would be a useful approach to peptide synthesis involving selenoamino acid residues.
Synthesis of Analogues of Flazin, in Particular, Flazinamide, as Promising Anti‐HIV Agents
Authors: Tang Jian‐Guo , Wang Yun‐Hua , Wang Rui‐Rui , Dong Ze‐Jun , Yang Liu‐Meng , Zheng Yong‐Tang , Liu Ji‐Kai 
Published: March 2008

AbstractFlazin isolated from the fruiting bodies of Suillus granulatus was found to possess weak anti‐HIV activity (EC50=2.36 μM, TI=12.1). To establish a SAR study, 46 flazin analogues were synthesized, and their anti‐HIV activities were evaluated in vitro. Among them, flazinamide (9a) showed the most potent activity with an EC50 value of 0.38 μM and a TI value of 312.0. The results suggested that appropriate substituents at positions 3, 1′, and 5′ of flazin might play a crucial role in determining their anti‐HIV activities, and that flazinamide can be considered as a promising, readily available anti‐HIV agent.
Phytochemical Analysis and in vitro Antiviral Activities of the Essential Oils of Seven Lebanon Species
Authors: Loizzo Monica R. , Saab Antoine M. , Tundis Rosa , Statti Giancarlo A. , Menichini Francesco , Lampronti Ilaria , Gambari Roberto , Cinatl Jindrich , Doerr Hans Wilhelm 
Published: March 2008

AbstractThe chemical composition of the essential oils of Laurus nobilis, Juniperus oxycedrus ssp. oxycedrus, Thuja orientalis, Cupressus sempervirens ssp. pyramidalis, Pistacia palaestina, Salvia officinalis, and Satureja thymbra was determined by GC/MS analysis. Essential oils have been evaluated for their inhibitory activity against SARS‐CoV and HSV‐1 replication in vitro by visually scoring of the virus‐induced cytopathogenic effect post‐infection. L. nobilis oil exerted an interesting activity against SARS‐CoV with an IC50 value of 120 μg/ml and a selectivity index (SI) of 4.16. This oil was characterized by the presence of β‐ocimene, 1,8‐cineole, α‐pinene, and β‐pinene as the main constituents. J. oxycedrus ssp. oxycedrus oil, in which α‐pinene and β‐myrcene were the major constituents, revealed antiviral activity against HSV‐1 with an IC50 value of 200 μg/ml and a SI of 5.
Biotransformation of Acyclic Monoterpenoids by Debaryomyces sp., Kluyveromyces sp., and Pichia sp. Strains of Environmental Origin
Authors: Ponzoni Chiara , Gasparetti Chiara , Goretti Marta , Turchetti Benedetta , Pagnoni Ugo Maria , Cramarossa Maria Rita , Forti Luca , Buzzini Pietro 
Published: March 2008

AbstractSixty yeast strains, which belong to 32 species of the genera Debaryomyces, Kluyveromyces, and Pichia, and which were isolated from plant‐, soil‐ or insect‐associated habitats, were screened for their ability to biotransform the acyclic monoterpenes geraniol and nerol. The aptitude to convert both compounds (from 2.6 to 30.6, and from 2.7 to 29.1%/g cell DW (=dry weight), resp.) was apparently a broad distributed character in such yeasts. Depending upon the substrate used, the production of linalool, α‐terpineol, β‐myrcene, D‐limonene, (E)‐β‐ocimene, (Z)‐β‐ocimene, or carene was observed. Linalool was the main product obtained from geraniol, whereas linalool and α‐terpineol were the main products obtained through the conversion of nerol. Yet, differently from nerol, the aptitude to exhibit high bioconversion yields of geraniol to linalool was an apparently genus‐related character, whereas the ability to produce other monoterpenes was a both genus‐ and habitat‐related character. The possible pathways of bioconversion of geraniol or nerol to their derivatives were proposed/discussed.
Naturally Occurring Small‐Molecule Inhibitors of Hedgehog/GLI‐Mediated Transcription
Authors: Hosoya Takahiro , Arai Midori A. , Koyano Takashi , Kowithayakorn Thaworn , Ishibashi Masami 
Published: March 2008

AbstractThe aberrant hedgehog (Hh)/GLI signaling pathway causes the formation and progression of a variety of tumors. To search for Hh/GLI inhibitors, we screened for naturally occurring inhibitors of the transcriptional activator GLI1 by using a cell‐based assay. We identified zerumbone (1), zerumbone epoxide (2), staurosporinone (9), 6‐hydroxystaurosporinone (10), arcyriaflavin C (11) and 5,6‐dihydroxyarcyriaflavin A (12) as inhibitors of GLI‐mediated transcription. In addition, we isolated physalins F (17) and B (18) from Physalis minima, which are also potent inhibitors. These compounds also inhibited GLI2‐mediated transactivation. Semiquantitative RT‐PCR and Western blotting analysis further revealed that 1, 9, 17, and 18 decreased Hh‐related component expressions. We also show that inhibitors of GLI‐mediated transactivation reduce the level of the antiapoptosis Bcl2 expression. Finally, these identified compounds were cytotoxic to PANC1 pancreatic cancer cells, which express Hh/GLI components. These results strongly suggest that the cytotoxicity of the compounds to PANC1 cells correlates with their inhibition of GLI‐mediated transcription.
Protein–Protein Interactions in Multienzyme Megasynthetases
Authors: Weissman Kira J. , Müller Rolf 
Published: March 2008

AbstractThe multienzyme polyketide synthases (PKSs), nonribosomal polypeptide synthetases (NRPSs), and their hybrids are responsible for the construction in bacteria of numerous natural products of clinical value. These systems generate high structural complexity by using a simple biosynthetic logic—that of the assembly line. Each of the individual steps in building the metabolites is designated to an independently folded domain within gigantic polypeptides. The domains are clustered into functional modules, and the modules are strung out along the proteins in the order in which they act. Every metabolite results, therefore, from the successive action of up to 100 individual catalysts. Despite the conceptual simplicity of this division‐of‐labor organization, we are only beginning to decipher the molecular details of the numerous protein–protein interactions that support assembly‐line biosynthesis, and which are critical to attempts to re‐engineer these systems as a tool in drug discovery. This review aims to summarize the state of knowledge about several aspects of protein–protein interactions, including current architectural models for PKS and NRPS systems, the central role of carrier proteins, and the structural basis for intersubunit recognition.
Outlier detection for skewed data
Authors: Hubert Mia , Van der Veeken Stephan 
Published: March 2008

AbstractMost outlier detection rules for multivariate data are based on the assumption of elliptical symmetry of the underlying distribution. We propose an outlier detection method which does not need the assumption of symmetry and does not rely on visual inspection. Our method is a generalization of the Stahel–Donoho outlyingness. The latter approach assigns to each observation a measure of outlyingness, which is obtained by projection pursuit techniques that only use univariate robust measures of location and scale. To allow skewness in the data, we adjust this measure of outlyingness by using a robust measure of skewness as well. The observations corresponding to an outlying value of the adjusted outlyingness (AO) are then considered as outliers. For bivariate data, our approach leads to two graphical representations. The first one is a contour plot of the AO values. We also construct an extension of the boxplot for bivariate data, in the spirit of the bagplot 1 which is based on the concept of half space depth. We illustrate our outlier detection method on several simulated and real data. Copyright © 2008 John Wiley & Sons, Ltd.
Three‐way data analysis of a wheat growing experiment using near infrared spectral data
Authors: Geladi Paul , Manley Marena 
Published: March 2008

AbstractAn agricultural growing experiment cultivating 10 cultivars at five localities produced whole wheat flour samples that were analysed by Fourier transform near infrared (FT‐NIR) spectroscopy. This produced a three‐way data array: locality × cultivar × wavelength. By taking smoothing first derivatives and removing a noisy part of the spectra meaningful PARAFAC (PARAllel FACtor analysis) models could be produced. Two factors could be interpreted spectroscopically, showing that cultivar properties are related in a not so trivial way to average wheat hardness values and that locality variations are straightforwardly related to average protein content. Copyright © 2008 John Wiley & Sons, Ltd.
Potential applications of functional data analysis in chemometrics
Authors: Saeys Wouter , De Ketelaere Bart , Darius Paul 
Published: March 2008

AbstractIn spectroscopy the measured spectra are typically plotted as a function of the wavelength (or wavenumber), but analysed with multivariate data analysis techniques (multiple linear regression (MLR), principal components regression (PCR), partial least squares (PLS)) which consider the spectrum as a set of m different variables. From a physical point of view it could be more informative to describe the spectrum as a function rather than as a set of points, hereby taking into account the physical background of the spectrum, being a sum of absorption peaks for the different chemical components, where the absorbance at two wavelengths close to each other is highly correlated. In a first part of this contribution, a motivating example for this functional approach is given. In a second part, the potential of functional data analysis is discussed in the field of chemometrics and compared to the ubiquitous PLS regression technique using two practical data sets. It is shown that for spectral data, the use of B‐splines proves to be an appealing basis to accurately describe the data. By applying both functional data analysis and PLS on the data sets the predictive ability of functional data analysis is found to be comparable to that of PLS. Moreover, many chemometric datasets have some specific structure (e.g. replicate measurements, on the same object or objects that are grouped), but the structure is often removed before analysis (e.g. by averaging the replicates). In the second part of this contribution, we suggest a method to adapt traditional analysis of variance (ANOVA) methods to datasets with spectroscopic data. In particular, the possibilities to explore and interpret sources of variation, such as variations in sample and ambient temperature, are examined. Copyright © 2008 John Wiley & Sons, Ltd.
H‐methods in applied sciences
Authors: Höskuldsson Agnar 
Published: March 2008

AbstractThe author has developed a framework for mathematical modelling within applied sciences. It is characteristic for data from ‘nature and industry’ that they have reduced rank for inference. It means that full rank solutions normally do not give satisfactory solutions. The basic idea of H‐methods is to build up the mathematical model in steps by using weighing schemes. Each weighing scheme produces a score and/or a loading vector that are expected to perform a certain task. Optimisation procedures are used to obtain ‘the best’ solution at each step. At each step, the optimisation is concerned with finding a balance between the estimation task and the prediction task. The name H‐methods has been chosen because of close analogy with the Heisenberg uncertainty inequality. A similar situation is present in modelling data. The mathematical modelling stops, when the prediction aspect of the model cannot be improved. H‐methods have been applied to wide range of fields within applied sciences. In each case, the H‐methods provide with superior solutions compared to the traditional ones. A background for the H‐methods is presented. The H‐principle of mathematical modelling is explained. It is shown how the principle leads to well‐defined optimisation procedures. This is illustrated in the case of linear regression. The H‐methods have been applied in different areas: general linear models, nonlinear models, multi‐block methods, path modelling, multi‐way data analysis, growth models, dynamic models and pattern recognition. Copyright © 2008 John Wiley & Sons, Ltd.
Acid‐Catalyzed Nucleophilic Aromatic Substitution: Experimental and Theoretical Exploration of a Multistep Mechanism
Authors: Jacobsson Mårten , Oxgaard Jonas , Abrahamsson Carl‐Olof , Norrby Per‐Ola , Goddard William A. , Ellervik Ulf 
Published: March 2008

AbstractThe mechanism for the acid‐mediated substitution of a phenolic hydroxyl group with a sulfur nucleophile has been investigated by a combination of experimental and theoretical methods. We conclude that the mechanism is distinctively different in nonpolar solvents (i.e., toluene) compared with polar solvents. The cationic mechanism, proposed for the reaction in polar solvents, is not feasible and the reaction instead proceeds through a multistep mechanism in which the acid (pTsOH) mediates the proton shuffling. From DFT calculations, we found a rate‐determining transition state with protonation of the hydroxyl group to generate free water and a tight ion pair between a cationic protonated naphthalene species and a tosylate anion. Kinetic experiments support this mechanism and show that, at moderate concentrations, the reaction is first order with respect to 2‐naphthol, n‐propanethiol, and p‐toluenesulfonic acid (pTsOH). Experimentally determined activation parameters are similar to the calculated values (ΔHexp≠=105±9, ΔHcalcd≠=118 kJ mol−1; ΔGexp≠=112±18, ΔGcalcd≠=142 kJ mol−1).
Mechanism, Regioselectivity, and the Kinetics of Phosphine‐Catalyzed [3+2] Cycloaddition Reactions of Allenoates and Electron‐Deficient Alkenes
Authors: Liang Yong , Liu Song , Xia Yuanzhi , Li Yahong , Yu Zhi‐Xiang 
Published: March 2008

AbstractWith the aid of computations and experiments, the detailed mechanism of the phosphine‐catalyzed [3+2] cycloaddition reactions of allenoates and electron‐deficient alkenes has been investigated. It was found that this reaction includes four consecutive processes: 1) In situ generation of a 1,3‐dipole from allenoate and phosphine, 2) stepwise [3+2] cycloaddition, 3) a water‐catalyzed [1,2]‐hydrogen shift, and 4) elimination of the phosphine catalyst. In situ generation of the 1,3‐dipole is key to all nucleophilic phosphine‐catalyzed reactions. Through a kinetic study we have shown that the generation of the 1,3‐dipole is the rate‐determining step of the phosphine‐catalyzed [3+2] cycloaddition reaction of allenoates and electron‐deficient alkenes. DFT calculations and FMO analysis revealed that an electron‐withdrawing group is required in the allene to ensure the generation of the 1,3‐dipole kinetically and thermodynamically. Atoms‐in‐molecules (AIM) theory was used to analyze the stability of the 1,3‐dipole. The regioselectivity of the [3+2] cycloaddition can be rationalized very well by FMO and AIM theories. Isotopic labeling experiments combined with DFT calculations showed that the commonly accepted intramolecular [1,2]‐proton shift should be corrected to a water‐catalyzed [1,2]‐proton shift. Additional isotopic labeling experiments of the hetero‐[3+2] cycloaddition of allenoates and electron‐deficient imines further support this finding. This investigation has also been extended to the study of the phosphine‐catalyzed [3+2] cycloaddition reaction of alkynoates as the three‐carbon synthon, which showed that the generation of the 1,3‐dipole in this reaction also occurs by a water‐catalyzed process.
Iron(III) Corroles and Porphyrins as Superior Catalysts for the Reactions of Diazoacetates with Nitrogen‐ or Sulfur‐Containing Nucleophilic Substrates: Synthetic Uses and Mechanistic Insights
Authors: Aviv Iris , Gross Zeev 
Published: March 2008

AbstractA thorough mechanistic investigation has been performed on the reactions of primary and secondary amines with diazoacetates, which proceed uniquely quickly and efficiently when catalyzed by iron(III) corroles and porphyrins. Two major differences in relation to other metal‐based catalysts are that the iron complexes are not poisoned by excess amine and that metal–carbene intermediates are apparently not involved in the reaction pathway. The results instead point towards nitrogen ylide intermediates formed by nucleophilic attack of the amines on diazoacetate‐coordinated iron complexes. Nitrogen ylides are also formed when allyl‐ and propargyl‐substituted tertiary amines react with diazoacetates, a scenario that smoothly leads to 2,3‐rearrangement reaction products with catalytic amounts of the iron(III) complexes. Similar findings regarding the superiority of the iron(III) complexes (in terms of catalyst loading, chemical yields, and reaction conditions) were obtained with thiols (SH insertion) and sulfides (2,3‐rearrangement reactions), which suggest similar mechanisms operate in these cases.
Tetrathiafulvalene Radical Cation Dimerization in a Bistable Tripodal [4]Rotaxane
Authors: Aprahamian Ivan , Olsen John‐Carl , Trabolsi Ali , Stoddart J. Fraser 
Published: March 2008

AbstractThe template‐directed synthesis of a bistable tripodal [4]rotaxane, which has cyclobis(paraquat‐p‐phenylene) (CBPQT4+) as the π‐electron‐deficient rings, and tetrathiafulvalene (TTF) and 1,5‐dioxynaphthalene units as the pairs of π‐electron‐rich recognition sites located on all three legs of the tripodal dumbbell, is described. The chemical and electrochemical oxidation of the [4]rotaxane and its tripodal dumbbell have allowed us to unravel an unprecedented TTF.+ radical cation dimerization. In fact, two types of TTF dimers, namely, the radical cation dimer [TTF.+]2 and the mixed‐valence one [(TTF)2].+, have been observed at room temperature for the tripodal dumbbell, whereas, in the case of the [4]rotaxane, only the radical cation dimer [TTF.+]2 is formed. This anomaly can be explained if it is accepted that most of the neutral TTF units in the [4]rotaxane are encircled by CBPQT4+ rings, which renders the formation of the mixed‐valence dimer [(TTF)2].+ highly unfavorable.
ChemInform Abstract: Icosahedral Au72: A Predicted Chiral and Spherically Aromatic Golden Fullerene
Authors: Karttunen Antti J. , Linnolahti Mikko , Pakkanen Tapani A. , Pyykkoe Pekka 
Published: March 2008

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Photoluminescent Layered Lanthanide Silicate Nanoparticles.
Authors: Ananias Duarte , Ferdov Stanislav , Filipe A. Almeida Filipe A. Almeida , Sa Ferreira Rute A. , Ferreira Artur , Geraldes Carlos F. G. C. , Carlos Luis D. , Lin Zhi , Rocha Joao 
Published: March 2008

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Visible‐Light‐Induced Reversible Photomagnetism in Rubidium Manganese Hexacyanoferrate.
Authors: Tokoro Hiroko , Matsuda Tomoyuki , Nuida Tomohiro , Moritomo Yutaka , Ohoyama Kenji , Dangui Edgard Davy Loutete , Boukheddaden Kamel , Ohkoshi Shin‐ichi 
Published: March 2008

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: New Magnetic Transitions in the Ordered Oxygen‐Deficient Perovskite LnBaCo2O5.50+δ.
Authors: Seikh Md. Motin , Simon Ch. , Caignaert V. , Pralong V. , Lepetit M. B. , Boudin S. , Raveau B. 
Published: March 2008

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: A Three‐Dimensional Open‐Framework Indium Selenide: [C7H10N][In9Se14].
Authors: Vaqueiro Paz 
Published: March 2008

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Solvothermal Synthesis, Crystal Structure and Properties of a New Organic Templated Lanthanum Sulfate [C4N3H16] [La(SO4)3(H2O)].
Authors: Zhu Yalin , Zhou Guangpeng , Xu Yan , Zhu Dunru , Zheng Xuefang 
Published: March 2008

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.