bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Reaction of α‐Nitroacrylates with Acetylacetone.
Authors: Baichurina L. V. , Baichurin R. I. , Aboskalova N. I. , Zobacheva M. M. , Berestovitskaya V. M.
Published: November 2012

α‐Nitroacrylates (I) successfully react with acetylacetone in MeOH in the presence of MeONa to give addition products (III), which can undergo an intramolecular O‐alkylation accompanied with elimination of nitrous acid [→ (IV)].
ChemInform Abstract: Generation of 3‐(1H‐Pyrrol‐3‐yl)‐1H‐inden‐1‐ones via a Tandem Reaction of 1‐(2‐Alkynylphenyl)‐2‐enone, 2‐Isocyanoacetate, and Water.
Authors: Zheng Danqing , Li Shaoyu , Wu Jie
Published: November 2012

A mechanism for the title reaction is suggested.
ChemInform Abstract: Synthesis of Highly N‐Substituted Indole Library via Conjugate Additions of Indoline and Their Synthetic Tool Potentials.
Authors: Kilic Haydar , Bayindir Sinan , Erdogan Esra , Saracoglu Nurullah
Published: November 2012

A full account on the recently published title study is presented.
ChemInform Abstract: Enantioselective Construction of 3‐Hydroxy Oxindoles via Decarboxylative Addition of β‐Ketoacids to Isatins.
Authors: Zhong Fangrui , Yao Weijun , Dou Xiaowei , Lu Yixin
Published: November 2012

The optically active products are of biological interest.
ChemInform Abstract: Synthesis of 2‐Substituted Benzimidazoles Catalyzed by FeCl3/Al2O3 under Ultrasonic Irradiation.
Authors: Chen Guo‐Feng , Dong Xiao‐Yun , Meng Fan‐Zhu , Chen Bao‐Hua , Li Ji‐Tai , Wang Shu‐Xiang , Bai Guo‐Yi
Published: November 2012

Aliphatic aldehydes only give traces of the corresponding product.
ChemInform Abstract: Convenient One‐Step Synthesis of 4‐Unsubstituted 2‐Amino‐4H‐chromene‐2‐carbonitriles and 5‐Unsubstituted 5H‐Chromene[2,3‐b]pyridine‐3‐carbonitriles from Quaternary Ammonium Salts.
Authors: Osyanin Vitaly A. , Osipov Dmitry V. , Klimochkin Yuri N.
Published: November 2012

The reactions are proposed to proceed via o‐quinone methide intermediates.
ChemInform Abstract: Synthesis of Substituted Chiral Chromans via Organocatalytic Kinetic Resolution of Racemic 3‐Nitro‐2‐aryl‐2H‐chromenes with Ketones Catalyzed by Pyrrolidinyl‐Camphor‐Derived Organocatalysts.
Authors: Magar Dhananjay R. , Chen Kwunmin
Published: November 2012

The title method provides a new route for the preparation of functionalized chiral chromans and chromenes.
ChemInform Abstract: A Magnetic Particle Supported Sulfonic Acid Catalyst: Tuning Catalytic Activity Between Homogeneous and Heterogeneous Catalysis.
Authors: Koukabi Nadiya , Kolvari Eskandar , Zolfigol Mohammad Ali , Khazaei Ardeshir , Shaghasemi Behzad Shirmardi , Fasahati Behzad
Published: November 2012

Sulfonic acid coated γ‐Fe2O3 nanoparticles catalyze the Hantzsch synthesis of dihydropyridines under solvent‐free conditions.
ChemInform Abstract: An Easy Route for the Synthesis of Pyrazine‐2,3‐dicarbonitrile 5,6‐Bis‐substituted Derivatives Using a Palladium Catalyst.
Authors: Ali Hasrat , van Lier Johan E.
Published: November 2012

The use of pyrazines (I) and (IX) in Pd‐catalyzed cross‐coupling reaction is investigated to provide methods for the synthesis of title compounds.
ChemInform Abstract: Dearomatizing Conversion of Pyrazines to 1,4‐Dihydropyrazine Derivatives via Transition‐Metal‐Free Diboration, Silaboration, and Hydroboration.
Authors: Oshima Kazuyuki , Ohmura Toshimichi , Suginome Michinori
Published: November 2012

The efficient dearomatization of pyrazines (I) to 1,4‐dihydropyrazines (III) and (V) and 1,2,3,4‐tetrahydropyrazine (VII) via addition of boron reagents (II), (IV), and (VI) having B—B, Si—B, and H—B bonds is reported.
ChemInform Abstract: para‐Benzihemiporphyrazine and Its Expanded [3 + 3]‐Type Analogue.
Authors: Shimizu Soji , Sato Yuta , Kobayashi Nagao
Published: November 2012

The stepwise and the one‐pot condensation of 1,3‐diiminoisoindoline (I) and para‐phenylenediamine (II) lead to the para‐benzihemiporphyrazine (IV) and its [3 + 3]‐type hemiporphyrazine analogue (V), respectively.
ChemInform Abstract: Ethoxy‐Substituted Oligo‐phenylenevinylene‐Bridged Organic Dyes for Efficient Dye‐Sensitized Solar Cells.
Authors: Shan Yifan , Tang Jie , Lai Hua , Tan Hongwei , Liu Xiaofeng , Yang Fan , Fang Qiang
Published: November 2012

Compound (II) exhibits broad IPCE spectra in the range of 350‐750 nm and compound (Ia) shows solar energy‐to‐electricity conversion efficiency up to 4.23%.
ChemInform Abstract: Total Synthesis of (.+‐.)‐Pallambins C and D.
Authors: Xu Xue‐Song , Li Zhen‐Wu , Zhang Yi‐Jun , Peng Xiao‐Shui , Wong Henry N. C.
Published: November 2012

The first total synthesis of the title compounds is accomplished in a linear 38 step sequence starting from racemic Wieland—Mischer ketone.
ChemInform Abstract: Terpenoids from a Chinese Gorgonian Anthogorgia sp. and Their Antifouling Activities.
Authors: Chen Dawei , Liu Dong , Shen Shi , Cheng Wei , Lin Wenhan
Published: November 2012

Compound (I) only exhibits moderate antifouling activity.
ChemInform Abstract: Divergent Total Synthesis of the Natural Antimalarial Marinoquinolines A, B, C, E and Unnatural Analogues.
Authors: Schwalm Cristiane Storck , Correia Carlos Roque D.
Published: November 2012

The natural marinoquinolines (VI) and a few non‐natural analogues (VIII) are prepared through Pictet—Spengler reaction of various aldehydes with the key intermediate (IV).
ChemInform Abstract: Multicomponent Reactions in Unconventional Solvents: State of the Art
Authors: Gu Yanlong
Published: November 2012

Review: 317 refs.
ChemInform Abstract: Chiral Quaternary Phosphonium Salts: A New Class of Organocatalysts
Authors: Enders Dieter , Nguyen Thanh Vinh
Published: November 2012

Review: 50 refs.
ChemInform Abstract: Synthetic Methods for Phosphorus Compounds Containing Pyrazole Rings
Authors: Ali Tarik E. , Abdel‐Kariem Somaia M.
Published: November 2012

Review: 81 refs.
ChemInform Abstract: Revisiting Physico‐Chemical Hazards of Ionic Liquids
Authors: Diallo Alpha O. , Len Christophe , Morgan Alexander B. , Marlair Guy
Published: November 2012

Review: 49 refs.
ChemInform Abstract: Catalytic Asymmetric Synthesis Using Chirality‐Switchable Helical Polymer as a Chiral Ligand
Authors: Suginome Michinori , Yamamoto Takeshi , Nagata Yuuya , Yamada Tetsuya , Akai Yuto
Published: November 2012

Review: 43 refs.
ChemInform Abstract: Fluorescent Microporous Organic Polymers: Potential Testbed for Optical Applications
Authors: Patra Abhijit , Scherf Ullrich
Published: November 2012

Review: about 60 refs.
Investigations on Mechanical Stress Caused to CHO Suspension Cells by Standard and Single‐Use Pumps
Authors: Blaschczok Katharina , Kaiser Stephan C. , Löffelholz Christian , Imseng Nicole , Burkart Jürg , Bösch Pascal , Dornfeld Wolfgang , Eibl Regine , Eibl Dieter
Published: November 2012

Mechanical stress caused to transfected Chinese hamster ovary (CHO) suspension cells by reusable and single‐use magnetically levitated, bearingless centrifugal pumps was investigated. Cell death rates were determined for different pump speeds and compared with data from a peristaltic and a 4‐piston diaphragm pump. Furthermore, the fluid distribution inside the PuraLev® 200 pump was modeled using computational fluid dynamics. The results reveal considerably lower mechanical stress to CHO cells caused by the magnetically levitated bearingless centrifugal pumps than by the peristaltic and diaphragm pump.
An Approach for Scale‐Up of Geometrically Dissimilar Orbitally Shaken Single‐Use Bioreactors
Authors: Werner Sören , Olownia Johanna , Egger Daniel , Eibl Dieter
Published: November 2012

An initial approach for scaling up geometrically dissimilar orbitally shaken bioreactors is presented. A novel ShakerBag Option for Multitron Cell shaking incubators allows a rapid increase in working volume from small TubeSpin bioreactors or shake flasks up to 10 L, thus offering a simple and cost‐efficient alternative to present systems for scale‐up. The engineering parameters for scale‐up of the orbitally shaken single‐use bags were determined using traditional methods. Modern computational fluid dynamics based methods were used to gain a deeper insight into the fluid flow behavior. Furthermore, mass propagation of plant cell suspensions (Nicotiana tabacum and Vitis vinifera), as well as cell expansion and production of protein complexes using insect cells (Sf‐9), show the potential of orbitally shaken single‐use bags.
Specific absorption rates and signal‐to‐noise ratio limitations for MRI in very‐low magnetic fields
Authors: Hayden M. E. , Bidinosti C. P. , Chapple E. M.
Published: November 2012

Coil loading experiments were performed to characterize specific absorption rates (SARs) for adult human subjects in uniform linearly‐polarized time‐varying magnetic fields B from 30 kHz to 1.25 MHz, corresponding to a range of Larmor frequencies f that is relevant to MRI in very‐low magnetic fields. For oscillating fields directed perpendicular to the sagittal plane of the human body in the standard anatomical position it was found that
$ {\rm{SAR}} = 4.3(1) \times 10^{ - 7} (M/L)f^2 B^2 $, where M and L are the mass and height of the subject and all quantities are expressed in SI base units. The average linear density M/L appearing in this expression was observed to be an excellent anthropomorphic index for characterizing the manner in which SAR depends on the average transverse dimension of the subject normal to the applied field. As anticipated, SAR values over this frequency range were low compared to those observed at higher frequencies, indicating that emerging applications requiring high duty‐cycle and/or intense radio‐frequency MR tipping pulses will not lead to excessive heating of tissues. Data from these experiments also corroborate and quantify predictions that significant improvements in signal‐to‐noise‐ratios can be achieved through appropriate receive‐antenna design. © 2012 Wiley Periodicals, Inc. Concepts Magn Reson Part A 40A: 281–294, 2012.
Uncertainty analysis for absorption and first‐derivative electron paramagnetic resonance spectra
Authors: Tseitlin Mark , Eaton Sandra S. , Eaton Gareth R.
Published: November 2012

Electron paramagnetic resonance experimental techniques produce absorption or first‐derivative spectra. Uncertainty analysis provides the basis for comparison of spectra obtained by different methods. In this study, it was used to derive analytical equations to relate uncertainties for integrated intensity and line widths obtained from absorption or first‐derivative spectra to the signal‐to‐noise ratio (SNR), with the assumption of white noise. Predicted uncertainties for integrated intensities and line widths are in good agreement with Monte‐Carlo calculations for Lorentzian and Gaussian lineshapes. Conservative low‐pass filtering changes the noise spectrum, which can be modeled in the Monte‐Carlo simulations. When noise is close to white, the analytical equations provide useful estimates of uncertainties. For example, for a Lorentzian line with white noise, the uncertainty in the number of spins obtained from the first‐derivative spectrum is 2.6 times greater than from the absorption spectrum at the same SNR. Uncertainties in line widths obtained from absorption and first‐derivative spectra are similar. The impact of integration or differentiation on SNR and on uncertainties in fitting parameters was analyzed. Although integration of the first‐derivative spectrum improves the apparent smoothness of the spectrum, it also changes the frequency distribution of the noise. If the lineshape of the signal is known, the integrated intensity can be determined more accurately by fitting the first‐derivative spectrum than by first integrating and then fitting the absorption spectrum. Uncertainties in integrated intensities and line widths are less when the parameters are determined from the original data than from spectra that have been either integrated or differentiated. © 2012 Wiley Periodicals, Inc. Concepts Magn Reson Part A 40A: 295–305, 2012.
The Growth Kinetics of Nickel Aluminide Coatings by the Bi‐velocity Method
Authors: Wierzba Bartek , Danielewski Marek , Tkacz‐Śmiech Katarzyna , Sieniawski Jan
Published: November 2012

In this work we solve the problem of the simultaneous growth and competition of intermediate phases. The crystal lattice as the frame of reference for diffusion is defined, based on the volume continuity equation. It permits the computation of the material velocity in a system in which reactions at several moving interfaces occur. All reactions lead to the lattice shift due to the difference of diffusivities and molar volumes. We simulate the CVD process followed by annealing in a non‐oxidizing atmosphere. The computed kinetics and concentration profiles are compared with experimental results.
Dose–Response Relationship, Acute Toxicity, and Therapeutic Index between the Alkaloid Extract of Mitragyna speciosa and Its Main Active Compound Mitragynine in Mice
Authors: Sabetghadam Azadeh , Navaratnam Visweswaran , Mansor Sharif Mahsufi
Published: November 2012

Preclinical Research

Mitragyna speciosa is a widely used medicinal plant that is commonly used for its morphine‐like effect sin folklore medicine in Thailand and Malaysia due to its ability to reduce pain and ameliorate withdrawal signs after cessation of opioid abuse. The aim of the present study was to determine and compare the relative safety and therapeutic indices of M. speciosa alkaloid extract and its major component, mitragynine. An alkaloid extract (20–400 mg/kg) from the leaves of M. speciosa, as well as mitragynine (4.2–84 mg/kg), was orally administered to mice; dose–response relationship, ED50 and LD50 values, as well as the therapeutic index (TI), for the two substances were determined and compared with that of morphine (2.5–10 mg/kg, s.c.). The results showed a significant dose‐dependent response in both extract (50 mg/kg onward) and mitragynine (10.5 mg/kg) with a higher potency of mitragynine than that of the extract. Although the LD50 for the extract (591 mg/kg) was higher than that of mitragynine (477 mg/kg), the TI for mitragynine was wider than that of the extract (21:3). The present study indicated that mitragynine is relatively safer when compared with the alkaloid extract of M. speciosa in mice.
Assessment of early diabetic renal changes with hyperpolarized [1‐13C]pyruvate
Authors: Laustsen Christoffer , Østergaard Jakob Appel , Lauritzen Mette Hauge , Nørregaard Rikke , Bowen Sean , Søgaard Lise Vejby , Flyvbjerg Allan , Pedersen Michael , Ardenkjær‐Larsen Jan Henrik
Published: November 2012

Background

This experimental study explores a novel magnetic resonance imaging/spectroscopic (MRI/MRS) method that measures changes in renal metabolism in a diabetic rat model. This hyperpolarized metabolic MRI/MRS method allows monitoring of metabolic processes in seconds by >10 000‐fold enhancement of the MR signal. The method has shown that the conversion of pyruvate to bicarbonate, i.e. pyruvate dehydrogenase (PDH) activity, is significantly altered in the myocardium already at the onset of diabetes, and the predominant Warburg effect is a valuable cancer maker via the lactate dehydrogenase (LDH) activity. We hypothesize that a similar change in PDH and LDH could be found in the early diabetic kidney.

Methods

In a streptozotocin rat model of type 1 diabetes, hyperpolarized 13C‐MRI and blood oxygenation level‐dependent 1H‐MRI was employed to investigate the changes in renal metabolism in the diabetic and the control kidneys in vivo.

Results

The diabetic kidney showed a 149% increase in the lactate/pyruvate ratio compared with the control rat kidney, whereas the bicarbonate/pyruvate ratio was unchanged between the diabetic and the control rat kidneys, consistent with literature findings. These metabolic findings paralleled a reduced intrarenal oxygen availability as found by blood oxygenation level‐dependent MRI.

Discussion

Hyperpolarized 13C‐MRI shows promise in the diagnosis and monitoring of early renal changes associated with diabetes, with the pyruvate/lactate ratio as an imaging biomarker for regional renal changes. Copyright © 2012 John Wiley & Sons, Ltd.
Effect of fortified milk on lyso‐platelet‐activating factor acetyltranferase and lipoprotein‐associated phospholipase A2 in hypercholesterolemic adults
Authors: Ntzouvani Agathi , Nomikos Tzortzis , Petrogianni Maria , Dede Vasiliki , Stamatakis George , Manios Yannis
Published: November 2012

Hypercholesterolemia is associated with subclinical inflammation, characterised by elevated proinflammatory mediators. Lyso‐platelet‐activating factor acetyltransferase (lyso‐PAF AT) and lipoprotein‐associated phospholipase A2 (Lp‐PLA2) are two key metabolic enzymes of platelet‐activating factor (PAF), a potent inflammatory lipid mediator. Little information is available concerning the efficacy of a dietary intervention on the metabolism of PAF. The objective of the study was to evaluate the effect of fortified milk on the activity of these enzymes. Forty‐three adults (mean age 49.8 ± 8.1 years) with body mass index <35 kg/m2, and total cholesterol >200 but <310 mg/dL were randomised to two groups; (i) intervention group received 500 mL/day (two glasses) of a low‐fat milk fortified with phytosterols, linoleic and alpha linolenic acids, vitamin C, vitamin E, vitamin A, vitamin B6, vitamin B12, folic acid, magnesium and selenium (n = 22), and (ii) placebo group received 500 mL/day of a conventional low‐fat milk (n = 21) for 3 months. Outcome measures were the activities of lyso‐PAF AT from leukocytes and serum Lp‐PLA2 determined with established methods. None of the activities changed significantly during the study in the intervention group, lyso‐PAF AT (95% confidence interval: −1.7, 2.3 nmol/min/mg; p = 0.246), and Lp‐PLA2 (−7.8, 5.8 nmol/min/mL, p = 0.591). No difference was observed between the two groups. In conclusion, daily intake of two glasses of phytosterols, antioxidants, linoleic and linolenic acids via fortified milk for three months had no effect on the activity of either lyso‐PAF AT or Lp‐PLA2.

Practical applications: Platelet‐activating factor (PAF) was the first intact phospholipid known to have messenger functions in which the signaling results from the molecule binding to specific receptors on the plasma membrane or other membranes of the cell. It has a number of pro‐inflammatory properties, and affects several critical points of atherogenesis including thrombosis, inflammation, and oxidation. Fortification of milk with nutrients that possess anti‐inflammatory properties and administration to adults with elevated blood cholesterol could provide a means to controlling inflammatory process through the synthesis and degradation of PAF in a population group at risk for cardiovascular morbidity and mortality.
Influence of precursors on the formation of 3‐MCPD and glycidyl esters in a model oil under simulated deodorization conditions
Authors: Freudenstein Anne , Weking Julia , Matthäus Bertrand
Published: November 2012

To find new ways for reducing the potential of palm oil to form 3‐monochloropropane‐1,2‐diol (3‐MCPD) and glycidyl esters during refining it is helpful to know more about the influence of different precursors like diacylglycerols (DAGs) and monoacylglycerols (MAGs), lecithin, and chlorine containing compounds. After adding increasing amounts of the different precursors to a model oil obtained by removal of polar compounds from crude palm oil and heating the mixture under standardized conditions to 240°C for 2 h the contents of 3‐MCPD and glycidyl esters were analyzed according to the standard procedure of DGF C‐VI 18 (10). DAGs and MAGs were found to increase the potential of palm oil to form 3‐MCPD and glycidyl esters, but refined lecithin showed no influence. Sodium chloride as well as tetra‐n‐butylammoniumchloride (TBAC) led to higher contents of the esters. Whereas the addition of TBAC raised the amount of glycidyl esters as well as 3‐MCPD esters, sodium chloride largely raised the amount of 3‐MCPD esters. An addition of 5 mmol of sodium carbonate/kg model oil spiked with sodium chloride reduced the amount of glycidyl esters almost completely; the 3‐MCPD esters were reduced by 50%. About 1 mmol sodium hydrogen carbonate/kg oil reduced both 3‐MCPD and glycidyl esters almost completely.

Practical applications: For the mitigation of the formation of 3‐MCPD esters and related compounds in refined edible oils, it is helpful to know more about the effect of different possible precursors. Using a broader data basis, it is possible to adopt the oil processing but especially the choice of the raw material to the demands of the market for lower contents of the esters in the refined products.
Silver‐Catalyzed Cyclization of N‐(Prop‐2‐yn‐1‐yl)pyridin‐2‐amines
Authors: Chioua Mourad , Soriano Elena , Infantes Lourdes , Jimeno M. Luisa , Marco‐Contelles José , Samadi Abdelouahid
Published: November 2012

We report herein the silver‐catalyzed cycloisomerization of readily available N‐(prop‐2‐yn‐1‐yl)pyridine‐2‐amines as a new and practical method for the synthesis of differently substituted 3‐methylimidazo[1,2‐a]pyridines. The isomerization reactions proceeded under mild reactions conditions to give good yields and excellent regioselectivity. A DFT‐based mechanistic analysis is also reported.
Quantitative structure‐mobility relationship analysis of imidazoline receptor ligands in CDs‐mediated CE
Authors: Filipic Slavica , Nikolic Katarina , Vovk Irena , Krizman Mitja , Agbaba Danica
Published: November 2012

The performed quantitative structure‐mobility relationship (QSMR) study has investigated relative migration times of 11 guanidine/imidazoline derivatives, imidazoline receptor ligands, in CE system containing one of CDs, α‐, β‐, or γ‐CD, using linear and nonlinear modeling methods. The analyzed ligands and their inclusion complexes with CDs were fully examined and optimized at semiempirical parametrized model 3 level. The density functional theory, such as B3LYP/6–31G+(d,p)/3–21G(d)/STO‐3G(d,p)/STO‐3G(d), and ab initio theory, such as HF/3–21G(d)/STO‐3G(d), were applied for molecular descriptors computation of the optimized ligands and their complexes. Predictive performances of the developed QSMR models were tested by use of the cross‐validation and external test set prediction. Obtained results for Q2 values (0.869, 0.911, and 0.966 for CE system containing α‐, β‐, and γ‐CD, respectively) and root mean squared error of prediction (0.239, 0.242, and 0.288 for α‐, β‐, and γ‐CD, respectively) were proved high predictive power of the proposed models. Finally, multitarget QSMR model, using the ligands descriptors (X) and the relative migration time in presence of α‐CD (Y1), β‐CD (Y2), and γ‐CD (Y3), has been created. The multitarget QSMR model can be used as initial screening predictive tool for CE migration behavior of other related guanidine/imidazoline derivatives in presence of α‐, β‐, and γ‐CD.
Coupling porous sheathless interface MS with transient‐ITP in neutral capillaries for improved sensitivity in glycopeptide analysis
Authors: Heemskerk Anthonius A. M. , Wuhrer Manfred , Busnel Jean‐Marc , Koeleman Carolien A. M. , Selman Maurice H. J. , Vidarsson Gestur , Kapur Rick , Schoenmaker Bart , Derks Rico J. E. , Deelder André M. , Mayboroda Oleg A.
Published: November 2012

IgG antibodies are modulated in their function by the specific structure of the N‐glycans attached to their Fc (fragment crystallizable) portions. However, the glycosylation analysis of antigen‐specific IgGs is a challenging task as antibody levels to a given antigen only represent a fraction of the total IgG levels. Here, we investigated the use of a transient‐ITP (t‐ITP)—MS method for highly sensitive IgG1 glycosylation profiling as a complementary method to a high‐throughput nano‐RPLC‐MS method. It was found that t‐ITP‐CZE using neutrally coated separation capillaries with a large volume injection (37% of capillary volume) and interfaced to MS with a sheathless porous sprayer yielded a 40‐fold increase in sensitivity for IgG1 Fc glycopeptide analysis when compared to the conventional strategy. Furthermore, the glycoform profiles found with the t‐ITP‐CZE strategy were comparable to those from nano‐RPLC‐MS. In conclusion, the use of the highly sensitive t‐ITP‐CZE‐MS method will provide information on IgG Fc glycosylation for those samples with IgG1 concentrations below the LODs of the conventional method.
Dust emission in northern China: atmospheric emission–dispersion modelling of a major dust event
Authors: Pasqui Massimiliano , Taramelli Andrea , Barbour Jonathan , Kirschbaum Dalia , Bottai Lorenzo , Busillo Caterina , Calastrini Francesca , Gualtieri Giovanni , Guarnieri Francesca , Small Chris
Published: November 2012

Comprehensive modelling of dust events requires a full physical representation of small‐scale emission mechanisms and description of long‐range transport dynamic. In this paper we propose a simulation system that integrates three different models in order to represent the whole dust cycle. The RAMS atmospheric model configuration has two nested grids, at 50 km and 10 km horizontal resolution, and is used to force both the dust emission model DUSTEM, and the transport model CAMx. The performance of the three‐model simulation system was evaluated using a major dust storm that occurred in March 2002 in the desert of the Alashan Prefecture (Inner Mongolia, China) and which had a significant impact over a large area in northern China. In order to identify potential active dust sources, a specific remote sensed analysis, calibrated through a field campaign in the Alashan Prefecture region, has been assimilated in the modelling system. Simulated dust storm features, from the higher resolution grid, are in good agreement with observed data: surface wind values discrepancies are less than 2 m/s in the Alashan area and less than 5 m/s along the dust storm track. In comparison to ground observations, the modelled dust surface concentration peaks in Beijing differ by only 2 mg/m3 although the timing of dust peaks is delayed in the model. As a consequence this integrated numerical model, along with the remote sensed land surface characterization, is suggested to be a practical and flexible tool for simulating and analysing the whole dust storm dynamics. Copyright © 2013 John Wiley & Sons, Ltd.
Application of Digital Manuals with a Retinal Imaging Display in Manufacturing: Behavioral, Physiological, and Psychological Effects on Workers
Authors: Nakanishi Miwa , Sato Tomohiro
Published: November 2012

This study analyses the behavioral, physiological, and psychological effects of digital manuals presented by a retinal imaging display (RID) on workers in the manufacturing industry. An RID consists of wearable glasses that enable users to view a digital image overlaying the real world. We conducted an experiment in which subjects assembled an object by referring to different types of manuals. The experimental results suggest that an RID enables users to conveniently examine real objects against information in the manual, reduces the information‐processing load while performing tasks, and supports effortless performance of tasks. However, using a monochrome picture manual with an RID increases the information‐processing load. On the other hand, a full‐color RID movie manual generates additional responses in users, such as psychological satisfaction.
Synthesis and Reactions of 2‐[1‐Methyl‐1‐(pyrrolidin‐2‐yl)ethyl]‐1H‐pyrrole and Some Derivatives with Aldehydes: Chiral Structures Combining a Secondary‐Amine Group with an 1H‐Pyrrole Moiety as Excellent H‐Bond Donor
Authors: Pordea Anca , Stoeckli‐Evans Helen , Dalvit Claudio , Neier Reinhard
Published: November 2012

The synthesis of compound 2 and its derivatives 6 and 8 combining a pyrrolidine ring with an 1H‐pyrrole unit is described (Scheme 2). Their attempted usability as organocatalysts was not successful. Reacting these simple pyrrolidine derivatives with cinnamaldehyde led to the tricyclic products 3b, 9b, and 10b first (Scheme 1, Fig. 2). The final, major products were the pyrrolo‐indolizidine tricycles 3a, 9a, and 10a obtained via the iminium ion reacting intramolecularly with the nucleophilic β‐position of the 1H‐pyrrole moiety (cf. Scheme 1).
“Being‐Imitated” Strategy at Home‐Based Intervention for Young Children with Autism
Authors: Sanefuji Wakako , Ohgami Hidehiro
Published: November 2012

Previous studies have consistently shown that simply imitating children with autism will help to promote amount of gaze and to decrease distance to others. However, whether the “being‐imitated” strategy also affects the development of social cognition has not been clarified. We conducted a 2‐month researcher‐guided and home‐based intervention. Mothers were randomly assigned to two groups: One group was coached to engage the child using imitation, and the other was coached simply to respond contingently to bids. Before and after the 2‐month intervention, imitation skills, understanding the intentions of others’ acts, and gaze toward mothers were measured. Two months of being‐imitated enables the children to raise the general amount of their gaze interaction. The imitation skills also were promoted. On the other hand, the development of understanding others’ intentions was not observed, irrespective of condition. The increase of attention to others, which is facilitated by the accumulation of the being‐imitated experiences, can be generalized to the nonimitating person and results in the imitation of others by the child. Alternatively, the developmental linkages between the being‐imitated strategy and understanding of others’ intentions should be an important research task. The present study also indicates that caretakers can play a significant role in the intervention for a child with autism.
Cost-effectiveness of bazedoxifene compared with raloxifene in the treatment of postmenopausal osteoporotic women
Authors: Hiligsmann Mickael , Sedrine Wafa Ben , Reginster Jean-Yves
Published: November 2012

Bazedoxifene is a novel selective estrogen receptor modulator (SERM) for the prevention and treatment of osteoporosis. In addition to the therapeutic value of a new agent, evaluation of the cost-effectiveness compared with relevant alternative treatment(s) is an important consideration to facilitate healthcare decision making. This study evaluated the cost-effectiveness of bazedoxifene compared with raloxifene for the treatment of postmenopausal women with osteoporosis. The cost-effectiveness of treatment for 3 years with bazedoxifene was compared with raloxifene using an updated version of a previously validated Markov microsimulation model. Analyses were conducted from a Belgian healthcare payer perspective and, the base-case population was women (aged 70 years) with bone mineral density T-score ≤ −2.5. The effects of bazedoxifene and raloxifene on fracture risk were derived from the 3-year results of a randomized, double-blind, placebo-controlled and active-controlled study, including postmenopausal women with osteoporosis. The cost-effectiveness analysis based on efficacy data from the overall clinical trial indicated that bazedoxifene and raloxifene were equally cost-effective. When the results were examined based on the subgroup analysis of women at higher risk of fractures, bazedoxifene was dominant (lower cost for higher effectiveness) compared with raloxifene in most of the simulations. Sensitivity analyses confirmed the robustness of the results, which were largely independent of starting age of treatment, fracture risk, cost, and disutility. In addition, when the cost of raloxifene was reduced by one-half or when incorporating the raloxifene effects on reducing breast cancer, bazedoxifene remained cost-effective, at a threshold of €35,000 per quality-adjusted life-years gained, in 85% and 68% of the simulations, respectively. Under the assumption of improved antifracture efficacy of bazedoxifene over raloxifene in women with high risk of fractures, this study suggests that bazedoxifene can be considered cost-effective, and even dominant, when compared with raloxifene in the treatment of postmenopausal osteoporotic women. © 2013 American Society for Bone and Mineral Research.
Acid Denaturation and Refolding of Cytochrome c on Silica Surface
Authors: Campbell Christopher M. J. , Fontana Matthew T. , Taggart Benjamin C. , Su Meng‐Chih , Lin Chung‐Lu , Chang Huan‐Cheng , Chen Hui‐Jung
Published: November 2012

Denaturation of oxidized cytochrome c (cyt c) adsorbed to a hydrophilic fused silica surface was studied by UV‐VIS attenuated total reflection (ATR) spectroscopy using a multiple optical pass system newly developed by this lab. Cyt c surface adsorption at neutral pH gave an adsorption equilibrium constant of Ka = 2 × 105 M−1 and a surface coverage at 63% of a monolayer saturation. Protein unfolding by acid denaturation was studied by equilibrating surface bound cyt c with acid buffers ranging in pH from 5 to 2. Protein orientation and surface coverage were calculated based on a theoretical model developed in previous work. The average heme tilt angle (44°) was found to be independent of pH, implicating protein‐surface interactions as the dominant factor governing adsorption. A non‐random molecular orientation distribution of cyt c on the surface was observed, providing further support for the dominance of protein‐surface interactions. It was shown that when denaturing acid buffers were removed and replaced with a neutral buffer cyt c refolded, assuming their original conformation. The combination of unique, yet applicable, science and laboratory skills involved in this project had a tremendous impact on the authors‘ undergraduate curriculum, making it ideal for capstone project development.
Assessment of myelination in hypomyelinating disorders by quantitative MRI
Authors: Dreha‐Kulaczewski Steffi F. , Brockmann Knut , Henneke Marco , Dechent Peter , Wilken Bernd , Gärtner Jutta , Helms G.
Published: November 2012

Purpose:

To apply myelin‐sensitive quantitative magnetic resonance imaging (MRI) techniques in defined hypomyelinating conditions and to identify spatial patterns of myelination as criteria for characterization of undefined disorders.

Materials and Methods:

Seven patients were included, based on the diagnosis of mitochondrial cytopathy, Pelizaeus‐Merzbacher disease, GJA12/GJC2‐related Pelizaeus‐Merzbacher‐like disease, hypomyelination with atrophy of the basal ganglia and cerebellum, and leukoencephalopathy with ataxia, delayed dentition, and hypomyelination. The control group comprised 23 children and adolescents (age range 2.6–22.4 years). The 3T MRI protocol consisted of high‐resolution T1‐ and T2‐weighted 3D MRI, diffusion tensor (DTI), and magnetization transfer (MT) imaging. Parameter maps of mean diffusivity, fractional anisotropy, and MT saturation were displayed as pseudocolor overlays and assessed by region‐of‐interest and histogram analysis.

Results:

Structural MRI revealed widespread signal alterations in white matter, but were hampered by signal heterogeneity. Quantitative DTI and MT reflected the degree of hypomyelination and discriminative patterns of myelination emerged on MT saturation maps.

Conclusion:

The quantitative parameters in the defined hypomyelination conditions provide additional criteria to further classify undefined white matter disorders. J. Magn. Reson. Imaging 2012; 36:1329–1338. © 2012 Wiley Periodicals, Inc.
Patellar maltracking is prevalent among patellofemoral pain subjects with patella alta: An upright, weightbearing MRI study
Authors: Pal Saikat , Besier Thor F. , Beaupre Gary S. , Fredericson Michael , Delp Scott L. , Gold Garry E.
Published: November 2012

The purpose of this study is to determine if patellar maltracking is more prevalent among patellofemoral (PF) pain subjects with patella alta compared to subjects with normal patella height. We imaged 37 PF pain and 15 pain free subjects in an open‐configuration magnetic resonance imaging scanner while they stood in a weightbearing posture. We measured patella height using the Caton–Deschamps, Blackburne–Peel, Insall–Salvati, Modified Insall–Salvati, and Patellotrochlear indices, and classified the subjects into patella alta and normal patella height groups. We measured patella tilt and bisect offset from oblique‐axial plane images, and classified the subjects into maltracking and normal tracking groups. Patellar maltracking was more prevalent among PF pain subjects with patella alta compared to PF pain subjects with normal patella height (two‐tailed Fisher's exact test, p < 0.050). Using the Caton–Deschamps index, 67% (8/12) of PF pain subjects with patella alta were maltrackers, whereas only 16% (4/25) of PF pain subjects with normal patella height were maltrackers. Patellofemoral pain subjects classified as maltrackers displayed a greater patella height compared to the pain free and PF pain subjects classified as normal trackers (two‐tailed unpaired t‐tests with Bonferroni correction, p < 0.017). This study adds to our understanding of PF pain in two ways—(1) we demonstrate that patellar maltracking is more prevalent in PF pain subjects with patella alta compared to subjects with normal patella height; and (2) we show greater patella height in PF pain subjects compared to pain free subjects using four indices commonly used in clinics. © 2012 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 31: 448–457, 2013
Theoretical model of the effect of combined glenohumeral bone defects on anterior shoulder instability: A finite element approach
Authors: Walia Piyush , Miniaci Anthony , Jones Morgan H. , Fening Stephen D.
Published: November 2012

The presence of either a Hill–Sachs or a bony Bankart defect has been indicated as a possible cause of subluxation and anterior shoulder dislocation. Previous studies investigated only the effects of isolated humeral or glenoid defects on glenohumeral instability. We investigated the effects on shoulder stability of both glenoid and humeral defects in the glenohumeral joint. A computer‐based finite element approach was used to model the joint. A generic model was developed for cartilage and bone of the glenoid and humerus, using previously published data, and experiments were analyzed using static analysis with displacement control in the anterior‐inferior direction. Simulations were run with a 50‐N compressive load in the presence of both isolated and combined defects to analyze reaction forces and distance to dislocation. The distance to dislocation for normal joint was 13.6 mm at 90° abduction, which reduced to 9.7, 0, and 0 mm for largest isolated humerus defect, glenoid defect, and certain combined defects, respectively. For combined defects, stability ratio was decreased to 0% from 43%. Our results suggest that in the setting of combined bone defects, stability may be reduced more than what is known for isolated defects alone. © 2012 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 31: 601–607, 2013
Void Microstructuring in Lamellar Phase of Amphiphilic Macromolecules
Authors: Glagoleva Anna , Erukhimovich Igor , Vasilevskaya Valentina
Published: November 2012

The free volume (voids) distribution in the lamellae of the conventional symmetric and amphiphilic diblock copolymers is studied via Monte–Carlo simulation based on the standard bond fluctuation model. Both in the conventional and amphiphilic block copolymers the voids are found to concentrate on the interfaces between the incompatible units, the magnitude of the effect being unexpectedly significant. A crystalline‐like ordering of voids with increase of the incompatibility between the different repeated units in amphiphilic copolymers is first reported and implications of this peculiarity for the morphology and mechanical properties of the amphiphilic copolymers are discussed.

magnified image
Quantitative magnetic resonance imaging can distinguish remodeling mechanisms after acute myocardial infarction based on the severity of ischemic insult
Authors: Ghugre Nilesh R. , Pop Mihaela , Barry Jennifer , Connelly Kim A. , Wright Graham A.
Published: November 2012

The type and extent of myocardial infarction encountered clinically is primarily determined by the severity of the initial ischemic insult. The purpose of the study was to differentiate longitudinal fluctuations in remodeling mechanisms in porcine myocardium following different ischemic insult durations. Animals (N = 8) were subjected to coronary balloon occlusion for either 90 or 45 min, followed by reperfusion. Imaging was performed on a 3 T MRI scanner between day‐2 and week‐6 postinfarction with edema quantified by T2, hemorrhage by T2*, vasodilatory function by blood‐oxygenation‐level‐dependent T2 alterations and infarction/microvascular obstruction by contrast‐enhanced imaging. The 90‐min model produced large transmural infarcts with hemorrhage and microvascular obstruction, while the 45 min produced small nontransmural and nonhemorrhagic infarction. In the 90‐min group, elevation of end‐diastolic‐volume, reduced cardiac function, persistence of edema, and prolonged vasodilatory dysfunction were all indicative of adverse remodeling; in contrast, the 45‐min group showed no signs of adverse remodeling. The 45‐ and 90‐min porcine models seem to be ideal for representing the low‐ and high‐risk patient groups, respectively, commonly encountered in the clinic. Such in vivo characterization will be a key in predicting functional recovery and may potentially allow evaluation of novel therapies targeted to alleviate ischemic injury and prevent microvascular obstruction/hemorrhage. Magn Reson Med, 70:1095–1105, 2013. © 2012 Wiley Periodicals, Inc.
Exchange‐linked dissolution agents in dissolution‐DNP 13C metabolic imaging
Authors: Hurd Ralph E. , Spielman Daniel , Josan Sonal , Yen Yi‐Fen , Pfefferbaum Adolf , Mayer Dirk
Published: November 2012

Purpose

The use of unlabeled exchange‐linked dissolution agents in hyperpolarized metabolic imaging was studied to examine pool size limits and saturation relative to the availability of NADH.

Methods

Three‐dimensional dynamic metabolic images were obtained, and compared following injection of a bolus of hyperpolarized [1‐13C]pyruvate, prepared with and without unlabeled sodium lactate in the dissolution buffer. Comparisons were made on the basis of apparent rate constants and [1‐13C]lactate signal‐to‐noise ratio. Range finding data were obtained for different bolus compositions. Isotope exchange was also probed in the reverse direction, following injection of a bolus of hyperpolarized [1‐13C]lactate, with and without unlabeled sodium pyruvate in the dissolution buffer.

Results

Liver, kidney, and vascular regions of interest all showed an increase in [1‐13C]lactate signal with addition of unlabeled sodium lactate in the dissolution buffer. Injection of hyperpolarized [1‐13C]lactate with unlabeled sodium pyruvate in the dissolution buffer, provided exchange rate constants Klp for kidney and vascular regions of interest.

Conclusions

These results are consistent with a high level of 13C‐exchange, and with labeling rates that are limited by steady‐state pool sizes in vivo. Magn Reson Med, 70:936–942, 2013. © 2012 Wiley Periodicals, Inc.
Entheseal Changes: Do They Reflect Socioeconomic Status in the Early Medieval Central European Population? (Mikulčice – Klášteřisko, Great Moravian Empire, 9th – 10th century)
Authors: Havelková P. , Hladík M. , Velemínský P.
Published: November 2012

Entheseal changes (EC) of skeletons are supposed to reflect the physical activity of our ancestors. Similarly, the elements of the burial rite (e.g. grave goods, burial depth) are presumed to be related to the social status of individuals. The aim of this study was to verify the existence of relationships between EC distribution and archaeological descriptors providing information on social status.

Fibrocartilaginous entheses of upper and lower limb bones of 115 individuals (aged 20–50 years) from the early medieval burial site Mikulčice – Klášteřisko were evaluated using Villotte's method (2006). Factor analysis (FA) was applied two times with two different combinations of descriptors: (i) FA‐1 based on the archaeological characteristics; (ii) FA‐2 based on the distribution of EC for males and females separately. The second step was important for the validation of results acquired from archaeological data.

It is possible to link several models of EC distribution with selected archaeological characteristics. (i) The relationship between EC and archaeological descriptors is more visible in males than females. (ii) Males withwarrior equipmentand deep graves very probably belonged to the higher social class and are characterised by the loading of the triceps brachii on the olecranon and of the gluteus medius on the femur. (iii) Males with shallower graves and objects of daily use more typically demonstrate an occurrence of EC at the insertion site of the wrist flexors or extensors. The clear links demonstrated in males were absent in females. There exists only a weak relationship between the descriptorjewelleryand the incidence of EC at the insertion sites of the shoulder and certain insertion sites of the lower limbs (especially the hip rotators). This poorly significant relationship supports our previous hypothesis that females from Mikulčice performed the same activities regardless their socioeconomic status. Copyright © 2012 John Wiley & Sons, Ltd.
Drug‐Induced Gynecomastia
Authors: Bowman John D. , Kim Hyunah , Bustamante Juan J.
Published: November 2012

Drugs account for about 20% of gynecomastia cases in men. As a number of factors can alter the estrogen:androgen ratio, several pathophysiologic mechanisms are associated with drugs causing this disorder. Antiandrogens, protease inhibitors, and nucleoside reverse transcriptase inhibitors are the most common drug causes of gynecomastia, whereas first‐generation antipsychotics, spironolactone, verapamil, and cimetidine are less common causes. Other drugs have been reported rarely as causes. Treatment may involve switching to an alternative agent or may require surgery or irradiation if the causative agent cannot be discontinued. We reviewed the literature on drug‐induced gynecomastia and provided another perspective by reviewing data from the United States Food and Drug Administration's Adverse Event Reporting System. Epidemiologic studies are needed to provide a more accurate description of the frequency of drug‐induced gynecomastia.
Medication Errors and Adverse Drug Events in Kidney Transplant Recipients: Incidence, Risk Factors, and Clinical Outcomes
Authors: Taber David J. , Pilch Nicole A. , Bratton Charles F. , McGillicuddy John W. , Chavin Kenneth D. , Baliga Prabhakar K.
Published: November 2012

Study Objective

To determine the incidence, risk factors, and clinical outcomes associated with clinically significant medication errors or adverse drug events in kidney transplant recipients.

Design

Retrospective observational study.

Setting

Transplant center at an academic medical center.

Patients

A total of 476 adults who received kidney transplants between June 2006 and July 2009.

Measurements and Main Results

Severe or significant medication errors and adverse drug events (medication‐related problems [MRPs]) were identified by medical record review. Only patient‐induced medication errors (e.g., took wrong dose or frequency of drug, took drug not prescribed) were captured. Clinical outcomes included patient and graft survival, infections (including cytomegalovirus), readmissions, and acute rejection episodes. Thirty‐seven (8%) of the 476 patients developed a clinically significant MRP. Univariate and confirmatory multivariate analyses revealed that female sex, African‐American race, pretransplantation diabetes mellitus, delayed graft function, and retransplant recipients were independent risk factors for developing an MRP. Patients with MRPs had significantly higher rates of acute rejection (11% vs 30%, p=0.004), cytomegalovirus infection (15% vs 30%, p=0.033), and 30‐day readmissions (5% vs 16%, p=0.018). Graft survival was also significantly lower in patients who had MRPs (p<0.001).

Conclusion

Patient‐induced medication errors and associated adverse drug events were common in kidney transplant recipients. General and transplant‐specific risk factors were associated with the development of these MRPs, and MRPs were associated with increased risk of rejection and graft loss.