bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Controlled Reactions of 2,3‐Allenoates with a 1,3‐Diketone Catalyst Effect.
Authors: Fang Zhao , Fu Chunling , Ma Shengming
Published: August 2012

The reaction of 2,3‐allenoates with 1,3‐diketones furnishes either addition products or furan derivatives depending on the reaction conditions.
ChemInform Abstract: Platinum(II) Diphosphinamine Complexes for the Efficient Hydration of Alkynes in Micellar Media.
Authors: Trentin Francesco , Chapman Andrew M. , Scarso Alessandro , Sgarbossa Paolo , Michelin Rino A. , Strukul Giorgio , Wass Duncan F.
Published: August 2012

A monomeric bis‐cationic complex bearing a small bite angle PNP ligand allows for highly selective alkyne hydration in water/surfactant media.
ChemInform Abstract: One‐Pot Synthesis of Trichloromethyl Carbinols from Primary Alcohols.
Authors: Gupta Manoj K. , Li Zhexi , Snowden Timothy S.
Published: August 2012

The reaction proceeds without racemization.
ChemInform Abstract: Synthesis and Applications of Fe3O4‐Diisopropylaminoacetamide as a Versatile and Reusable Magnetic Nanoparticle Supported N,N‐Diisopropylethylamine Equivalent.
Authors: Rattanaburi Parintip , Khumraksa Bannarak , Pattarawarapan Mookda
Published: August 2012

PISR is used as magnetically recoverable heterogeneous base for the reaction of activated halides with primary and secondary amines.
ChemInform Abstract: Efficient Copper(II)‐Catalyzed Transamidation of Non‐Activated Primary Carboxamides and Ureas with Amines.
Authors: Zhang Min , Imm Sebastian , Baehn Sebastian , Neubert Lorenz , Neumann Helfried , Beller Matthias
Published: August 2012

For the first time a straightforward copper‐catalyzed transamidation method is developed.
ChemInform Abstract: Green Synthesis of Novel Chalcone and Coumarin Derivatives via Suzuki Coupling Reaction.
Authors: Vieira Lucas C. C. , Paixao Marcio Weber , Correa Arlene G.
Published: August 2012

Different brominated and iodinated chalcones as well a the iodocoumarin (IX) are investigated as substrates.
ChemInform Abstract: Facile Synthesis of Functionalized Bis(arylethynyl)benzene Derivatives via sila‐Sonogashira Reaction.
Authors: Zhou Zhang‐Lin , Zhao Lihua , Zhang Sean , Vincent Kent , Lam Sity , Henze Dick
Published: August 2012

Cross coupling of dihaloarenes (I) with silylacetylenes (II) proceeds smoothly under modified Sonogashira conditions to chemoselectively afford bis(acetylenyl)arenes (III) in good yields.
ChemInform Abstract: Enantioselective 5‐endo‐Dig Carbocyclization of β‐Ketoesters with Internal Alkynes Employing a Four‐Component Catalyst System.
Authors: Suzuki Satoru , Tokunaga Etsuko , Reddy Dhande Sudhakar , Matsumoto Takashi , Shiro Motoo , Shibata Norio
Published: August 2012

The first practical method for the 5‐endo‐dig variant of the Conia‐ene carbocyclization is developed.
ChemInform Abstract: Efficient Aziridination of α,β‐Unsaturated Ketones with O‐(2,4‐Dinitrophenyl)‐hydroxylamine.
Authors: Wang Jin‐jia , Lao Jin‐hua , Li Xue‐ming , Lu Rui‐jiong , Miao Hui , Yan Ming
Published: August 2012

Title aziridination reaction of alkenyl aryl ketones (I) provides trans‐disubstituted aziridines (II), exclusively.
ChemInform Abstract: Tetrahydropyridinium Bromide: Useful Synthon to Functionalized Pyrrolidines.
Authors: Guideri Luca , Noschese Rossella , Ponticelli Fabio
Published: August 2012

Piperidinium salt (I) undergoes ring contraction with a range of nucleophiles to furnish 2,2‐disubstituted pyrrolidines.
ChemInform Abstract: Dehydrogenative Synthesis of C3‐Azolylindoles via Copper‐Promoted Annulative Direct Coupling of o‐Alkynylanilines.
Authors: Oda Yoshiro , Matsuyama Naoto , Hirano Koji , Satoh Tetsuya , Miura Masahiro
Published: August 2012

o‐Alkynylanilines bearing a suitable leaving group (generally o‐fluorobenzoyl) at the nitrogen are coupled with oxadiazoles to produce N‐unsubstituted indoles directly.
ChemInform Abstract: [2 + 2] Photocycloadditions of Thiomaleimides.
Authors: Tedaldi Lauren M. , Aliev Abil E. , Baker James R.
Published: August 2012

The photocycloaddition reaction of thiomaleimides (I) and (XIII) leads to dimers (II) and (XIV)/(XV), resp., in quantitative yields.
ChemInform Abstract: An Efficient One‐Pot Synthesis of 3,5‐Disubstituted 1H‐Pyrazoles.
Authors: Wu Lei‐Lei , Ge Yi‐Cen , He Ting , Zhang Lei , Fu Xing‐Li , Fu Hai‐Yan , Chen Hua , Li Rui‐Xiang
Published: August 2012

The three‐component process allows the access to pyrazole structures bearing functionalized aryl substituents.
ChemInform Abstract: 2‐Amino‐X‐nitrobenzimidazoles as Precursors of Food‐Borne Carcinogens: A New Approach to IQ Synthesis.
Authors: Bella Maros , Milata Viktor , Larina Lyudmila I.
Published: August 2012

The nitro‐substituted aminobenzimidazoles (III) are prepared as potential precursors for food‐borne carcinogens or their analogues by cyclization of nitrophenylenediamines (I) with cyanogen bromide (II).
ChemInform Abstract: Oxidative Transformation of N‐Substituted 2‐Aminophenols to 2‐Substituted Benzoxazoles Catalyzed by Polymer‐Incarcerated and Carbon‐Stabilized Platinum Nanoclusters.
Authors: Yoo Woo‐Jin , Yuan Hao , Miyamura Hiroyuki , Kobayashi Shu
Published: August 2012

Sequential aerobic oxidation—enolization—oxidative cyclization reaction of N‐substituted o‐aminophenols (I) and (III) proceeds smoothly under catalysis of Pt nanoparticles stabilized by carbon black and a styrene‐derived polymer.
ChemInform Abstract: Asymmetric Synthesis of Dihydropyranones from Ynones by Sequential Copper(I)‐Catalyzed Direct Aldol and Silver(I)‐Catalyzed Oxy‐Michael Reactions.
Authors: Shi Shi‐Liang , Kanai Motomu , Shibasaki Masakatsu
Published: August 2012

A facile and general method for the title synthesis is developed.
ChemInform Abstract: One‐Pot Three‐Component Highly Selective Synthesis of Homoallylboronates by Using Metal‐Free Catalysis.
Authors: Ibrahem Ismail , Breistein Palle , Cordova Armando
Published: August 2012

The first one‐pot three‐component reaction of α,β‐unsaturated aldehydes with bis(pinacolatoborane) (II) and triphenylphosphoranylideneacetate (III) is presented, which proceeds readily in the presence of catalytic amounts of N,N′‐dicyclohexylimidazolium salt.
ChemInform Abstract: New Method for the Synthesis of Ether Derivatives of Artemisinin.
Authors: Bora Pranjal P. , Baruah Nabajyoti , Bez Ghanashyam , Barua Nabin C.
Published: August 2012

Etherification of dihydroartemisinin with a wide variety of alcohols is effectively catalyzed by dodecatungstophosphoric acid hydrate.
ChemInform Abstract: Mo‐Si‐B Alloys for Ultrahigh‐Temperature Structural Applications
Authors: Lemberg J. A. , Ritchie R. O.
Published: August 2012

Review: 179 refs.
ChemInform Abstract: Anion Sensing by Rhenium(I) Carbonyls with Polarized N‐H Recognition Motifs
Authors: Chang Kai‐Chi , Sun Shih‐Sheng , Lees Alistair J.
Published: August 2012

Review: 57 refs.
ChemInform Abstract: Coronates, Spherical Containers, Bowl‐Shaped Surfaces, Porous 1D‐, 2D‐, 3D‐Metallo‐Coordination Polymers, and Metallodendrimers
Authors: Saalfrank Rolf W. , Sheurer Andreas
Published: August 2012

Review: 232 refs.
ChemInform Abstract: Synthesis of Nitrogen‐Containing Heterocycles Using Conjugate Addition Reactions of Nucleophiles to α,β‐Unsaturated Imines
Authors: Hachiya Iwao , Mizota Isao , Shimizu Makoto
Published: August 2012

Review: 100 refs.
ChemInform Abstract: Rhodium‐Catalyzed [2 + 2 + 2] Cycloaddition for the Synthesis of Substituted Pyridines, Pyridones, and Thiopyranimines
Authors: Tanaka Ken
Published: August 2012

Review: 111 refs.
ChemInform Abstract: Syntheses Utilizing n‐Perfluoroalkyl Iodides [RFI, CnF2n+1‐I] 2000—2010
Authors: Murphy Peter M. , Baldwin Christopher S. , Buck Robert C.
Published: August 2012

Review: in free‐radical reactions, Grignard anion additions to ketones and aldehydes etc.; 231 refs.
ChemInform Abstract: Olefin Metathesis as Key Step in the Synthesis of Bioactive Compounds. Challenges in the Total Synthesis of (‐)‐Kendomycin
Authors: Bicchielli Dario , Borguet Yannick , Delaude Lionel , Demonceau Albert , Dragutan Ileana , Dragutan Valerian , Hans Morgan , Jossifov Christo , Nicks Francois , Willem Quentin
Published: August 2012

Review: 78 refs.
ChemInform Abstract: Synthetic Approaches Toward Sesterterpenoids
Authors: Hog Daniel T. , Webster Robert , Trauner Dirk
Published: August 2012

Review: 247 refs.
ChemInform Abstract: Pyrazines (Update 2011)
Authors: Sato N.
Published: August 2012

Review: 516 refs.
ChemInform Abstract: Proton‐Coupled Electron Transfer
Authors: Weinberg David R. , Gagliardi Christopher J. , Hull Jonathan F. , Murphy Christine Fecenko , Kent Caleb A. , Westlake Brittany C. , Paul Amit , Ess Daniel H. , McCafferty Dewey Granville , Meyer Thomas J.
Published: August 2012

Review: 590 refs.
ChemInform Abstract: Recent Developments in Theoretical Chemistry
Authors: Niu Y. L. , Yamaki M. , Zhu C. Y. , Hayashi M. , Fujimura Y. , Lin S. H.
Published: August 2012

Review: 44 refs.
ChemInform Abstract: 2D NMR of Molecules Oriented in Liquid Crystalline Phases
Authors: Kumar Anil
Published: August 2012

Review: 60 refs.
ChemInform Abstract: Multidimensional NMR in Organotin Chemistry and Catalysis
Authors: Biesemans Monique , Willem Rudolph
Published: August 2012

Review: 83 refs.
ChemInform Abstract: ROESY
Authors: Bax Ad , Grzesiek Stephan
Published: August 2012

Review: 45 refs.
ChemInform Abstract: Multiple Quantum Spectroscopy of Liquid Samples
Authors: Norwood Timothy J.
Published: August 2012

Review: 20 refs.
ChemInform Abstract: Filter Diagonalization Methods for Time‐Domain Signals
Authors: Shaka A. J. , Mandelshtam Vladimir A.
Published: August 2012

Review: 21 refs.
Arrhythmias in Fabry Cardiomyopathy
Authors: Acharya Deepak , Robertson Peter , Neal Kay G. , Jackson Leslie , Warnock David G. , Plumb Vance J. , Tallaj José A.
Published: August 2012

Background:

Prior studies suggest that the incidence of ventricular arrhythmias is high in patients with Fabry cardiomyopathy. This study evaluated the incidence of significant arrhythmias in a series of patients with Fabry cardiomyopathy.

Hypothesis:

Arrhythmias are important causes of morbidity and mortality in Fabry Cardiomyopathy.

Methods:

This study was a retrospective chart review of 19 patients with known Fabry cardiomyopathy. Device interrogation reports were reviewed for those who had implantable devices. Electrocardiogram, Holter monitor, and event monitors were reviewed in those who did not have implantable devices.

Results:

Eighteen of nineteen patients were on enzyme replacement therapy (ERT). Nine (47%) out of 19 patients had implantable devices. Implant indications included symptomatic bradycardia, nonsustained ventricular tachycardia, conduction abnormalities, palpitations, and syncope. Mean follow‐up in the patients with devices was 50 ± 23 months. Two patients received implantable cardioverter‐defibrillator (ICD) shocks, 1 of which was inappropriate for atrial fibrillation. Patients were paced in the atrium 71% ± 37% of the time and paced in the ventricle 49% ± 52% of the time. Four patients with devices were paced more than 95% of the time. Patients with an ICD had lower heart rates prior to ICD implant than the group that did not have devices (60 ± 10 vs 78 ± 16, P = 0.03). Of the patients without devices, only 1 had sudden cardiac death. Patients with implanted devices had higher left ventricular (LV) mass indices compared to patients without implanted devices (136 ± 40 g/m2 vs 93 ± 19 g/m2, P = 0.008).

Conclusions:

Significant ventricular arrhythmias are uncommon in patients with Fabry cardiomyopathy on ERT, but utilization of pacing is high. Sudden cardiac death in Fabry cardiomyopathy may be related to bradycardia.

The authors have no funding, financial relationships, or conflicts of interest to disclose.
Photodegradation, Photocatalytic, and Aerobic Biodegradation of Sulfisomidine and Identification of Transformation Products by LC–UV‐MS/MS
Authors: Sleman Faten , Mahmoud Waleed M. M. , Schubert Rolf , Kümmerer Klaus
Published: August 2012

Much attention has recently been devoted to the fate and effects of pharmaceuticals in the water cycle. Removal of antibiotics in effluents by photo‐treatment or biodegradation is a topic currently under discussion. Degradation and removal efficiencies of sulfisomidine (SUI) by photodegradation and aerobic biodegradability were studied. SUI behavior was monitored during photolysis and photocatalysis (catalyst titanium dioxide) using 150‐W medium‐pressure Hg lamp. Also an aerobic bacterial degradation test from the OECD series (closed bottle test (CBT, OECD 301 D)) was performed. The primary elimination of SUI was monitored. Structures of photo‐degradation products were assessed by chromatographic separation on a C18 column with ultraviolet detection at 270 nm and ion trap MS. The results demonstrate that SUI is not readily biodegradable in CBT. Photo catalysis was more is effective than photolysis. SUI underwent photodegradation and several SUI photoproducts were identified. Accordingly, the photodegradation pathway of SUI was postulated. When reaching the aquatic environment, SUI and its photo products can constitute a risk to the environment.
Bi‐Solute Sorption of Estrogens at Low Concentration: Two‐ and Three‐Parametric Analysis
Authors: Kumar A. Kiran , Babu P. Suresh , Mohan S. Venkata
Published: August 2012

Competitive sorption of estriol (E3) and 17α‐ethinylestradiol (EE2) was studied on activated charcoal. Better sorption of E3 (88.9%) and EE2 (69.5%) was observed with single‐solute sorption system than with bi‐solute sorption system. Single‐solute sorption kinetics of E3 and EE2 were evaluated with two (Langmuir and Freundlich) and three (dual mode and Song) parameter models. Freundlich model (R2, 0.9915 (E3); 0.9875 (EE2)) showed good prediction compared to other models for single‐solute sorption. Adsorption capacity documented reduced efficacy (86.4% (E3); 65.9% (EE2)) due to induced competitive behavior between the estrogens in aqueous phase. Bi‐solute adsorption kinetics of E3 and EE2 were described by IAST with two and three parameter models. Among these models, IAST‐Freundlich model (R2, 0.9765 (E3); 0.9985 (EE2)) was best in predicting bi‐solute sorption of E3 and EE2 by activated charcoal. All these models showed favorable representation of both single‐ and bi‐solute sorption behaviors.
A New Soil Sampling Design in Coastal Saline Region Using EM38 and VQT Method
Authors: Yao Rongjiang , Yang Jingsong , Zhao Xiufang , Chen Xiaobing , Han Jianjun , Li Xiaoming , Liu Meixian , Shao Hongbo
Published: August 2012

Spatial sampling design based on the variability and distribution of soil properties is an important issue with the progress in precision agriculture and soil ecology. Electromagnetic induction (type EM38) and variance quad‐tree (VQT) method were both applied to optimize the sampling scheme of soil salinity in a coastal reclamation field in north Jiangsu Province, China. Apparent soil electrical conductivity (ECa) measured with EM38 was used as an ancillary variable and the spatial distribution of ECa was used as priori information. The process and result of VQT algorithm analysis was illustrated and the obtained sampling strategy was validated using observed soil salinity. Then the spatial precision and sampling efficiency were evaluated. The result indicated that the spatial distribution of soil salinity produced with the VQT scheme was quite similar to that produced with total sampling sites, while sampling quantity of the former was reduced to approximately 1/2 of the latter. The spatial precision of VQT scheme was considerably higher than that of traditional grid method with respect to the same sampling number, and fewer samples were required for VQT scheme to obtain the same precision level. A 17.3% increase in sampling efficiency was achieved by VQT over grid method at the precision level of 90%. The VQT method was proved to be more efficient and economical because it can sample intensively or sparsely according to variation status in local areas. The associated application of EM38 and VQT method provides efficient tools and theoretical basis for saving sampling cost and improving sampling efficiency in coastal saline region and enriching soil ecology.
High‐Quality Multidisciplinary Research
Authors: Spiniello Marisa
Published: August 2012

Board Members Special Issue: Multidisciplinary contributions from the three Chairmen and selected Board Members.
A Phenylbenzothiazole Conjugate with the Tricarbonyl fac‐[M(I)(CO)3]+ (M = Re, 99Tc, 99mTc) Core for Imaging of β‐Amyloid Plaques
Authors: Sagnou Marina , Tzanopoulou Stamatia , Raptopoulou Catherine P. , Psycharis Vassilis , Braband Henrik , Alberto Roger , Pirmettis Ioannis C. , Papadopoulos Minas , Pelecanou Maria
Published: August 2012

The 2‐(4′‐aminophenyl)‐6‐methylbenzothiazole that is known to display affinity and specificity toward the amyloid plaques of Alzheimer's disease (AD) has been joined to the tricarbonyl [M(CO)3NNO] chelate (M = Re, 99Tc, and 99mTc) through a five‐carbon linker chain to generate the neutral complex 1 (namely, Re‐1 for M = Re; 99Tc‐1 for M = 99Tc; and 99mTc‐1 for M = 99mTc) with the aim of developing a single‐photon emission computed tomography (SPECT) radiodiagnostic agent for AD. Re‐1 was characterized by spectroscopic methods and X‐ray crystallography, whereas the detailed NMR spectroscopic analysis of 99Tc‐1 demonstrated its structural similarity to Re‐1. Complexes Re‐1 and 99Tc‐1 display selective binding affinity for amyloid plaques as evidenced by fluorescence spectroscopy, whereas the biodistribution data of 99mTc‐1―characterized by relatively low brain uptake, fast clearance from brain and blood, and in vivo stability―are considered encouraging for further elaboration on the structural features of 1 in the direction of increased brain uptake.
Environmental mercury in China: A review
Authors: Lin Yan , Vogt Rolf , Larssen Thorjorn
Published: August 2012

Mercury is a global pollutant that can be transported over long distances and can bioaccumulate. Currently, China is the country that contributes most to atmospheric Hg emissions and has the greatest intentional (industrial) use of Hg. Mercury in the Chinese environment is generally elevated, particularly in air and water bodies. Remote areas in China also show elevated Hg levels in air and water bodies compared to other rural regions in the world. Large river estuaries are often heavily affected by upstream industrial sources. Mercury is also elevated in sediments, a direct result of contamination in river systems. Regardless of the few heavily polluted sites, the urban environment in Chinese cities is comparable to that of other megacities in terms of Hg pollution, considering the size and rapid development of Chinese cities. Studies on Hg in fish showed generally low levels of contamination resulting from low bioaccumulation of Hg in the mostly short food chains. Mercury in rice has recently received increased research interest; elevated concentrations have been reported from rice grown in contaminated areas and may pose a threat to people dependent on such locally grown food. For the general population, Hg exposure from rice is, however, small. In addition, Hg hair concentration in the Chinese population showed generally low levels of exposure to Hg, except for people with special occupational exposure. Environ. Toxicol. Chem. 2012; 31: 2431–2444. © 2012 SETAC
Use of a Balanced Scorecard in strengthening health systems in developing countries: an analysis based on nationally representative Bangladesh Health Facility Survey
Authors: Khan M. Mahmud , R. Hotchkiss David , Dmytraczenko Tania , Zunaid Ahsan Karar
Published: August 2012

This paper illustrates the importance of collecting facility‐based data through regular surveys to supplement the administrative data, especially for developing countries of the world. In Bangladesh, measures based on facility survey indicate that only 70% of very basic medical instruments and 35% of essential drugs were available in health facilities. Less than 2% of officially designated obstetric care facilities actually had required drugs, injections and personnel on‐site. Majority of (80%) referral hospitals at the district level were not ready to provide comprehensive emergency obstetric care. Even though the Management Information System reports availability of diagnostic machines in all district‐level and sub‐district‐level facilities, it fails to indicate that 50% of these machines are not functional. In terms of human resources, both physicians and nurses are in short supply at all levels of the healthcare system. The physician–nurse ratio also remains lower than the desirable level of 3.0. Overall job satisfaction index was less than 50 for physicians and 66 for nurses. Patient satisfaction score, however, was high (86) despite the fact that process indicators of service quality were poor. Facility surveys can help strengthen not only the management decision‐making process but also the quality of administrative data. Copyright © 2012 John Wiley & Sons, Ltd.
Sub‐chronic exposure to paraoxon neither induces nor exacerbates diabetes mellitus in Wistar rat
Authors: Nurulain Syed M. , Petroianu Georg , Shafiullah Mohamed , Kalász Huba , Oz Murat , Saeed Tariq , Adem Abdu , Adeghate Ernest
Published: August 2012

There is an increasing belief that organophosphorus compounds (OPCs) impair glucose homeostasis and cause hyperglycemia and diabetes mellitus. The present study was undertaken to investigate the putative diabetogenic effect of sub‐lethal and sub‐chronic exposure to paraoxon (POX), an extremely hazardous OPC used in pesticides. The effect of paraoxon on streptozotocin‐induced diabetic rats was also examined. Each rat was injected with 100 nmol of POX 5 days per week for 6 weeks. Blood glucose levels and red blood cell acetylcholinesterase activity were measured weekly. Biochemical analysis and morphological studies were performed at the end of the experiment. The results revealed that POX neither induces nor exacerbates diabetes mellitus in experimental rats. Liver and kidney/body weight ratios revealed statistically insignificant differences when compared with controls. Biochemical analysis of urine samples showed a small but not significant increase in protein level in all groups. Urine bilirubin was significantly higher in the diabetes + POX group when compared with the control group. The number of blood cells in urine was significantly higher in the POX‐treated group compared with the control group. Hyperglycemia was noted in the diabetes and diabetes + POX groups, but neither in the saline control nor in POX‐treated normal rats. Electron microscopy of POX‐treated pancreas did not show any morphological changes in beta cells. These results suggest that POX does not cause diabetes mellitus at sub‐lethal sub‐chronic exposure. Copyright © 2012 John Wiley & Sons, Ltd.
Design, synthesis, imaging, and biomechanics of a softness‐gradient hydrogel nucleus pulposus prosthesis in a canine lumbar spine model
Authors: Kranenburg Hendrik‐Jan C. , Meij Björn P. , Onis David , van der Veen Albert J. , Saralidze Ketie , Smolders Luc A. , Huizinga Julie G. , Knetsch Menno L.W. , Luijten Peter R. , Visser Fredy , Voorhout George , Dhert Wouter J.A. , Hazewinkel Herman A.W. , Koole Leo H.
Published: August 2012

A hydrogel nucleus pulposus prosthesis (NPP) was designed to swell in situ, have intrinsic radiopacity, and restore intervertebral disc height and biomechanical functionality. These features were examined using an ex vivo canine lumbar model. Nine NPPs were implanted in five spines and their visibility was assessed on radiography, computed tomography (CT), and magnetic resonance imaging (MRI). The NPPs were visible on all imaging modalities and 8/9 NPPs stayed intact and in situ. Six other NPPs were tested biomechanically in six canine lumbar spines. Removal of the nucleus pulposus (nuclectomy) caused significant changes in biomechanical parameters. After implantation and swelling of the NPP, values were not significantly different from the native state for range of motion (ROM) of flexion‐extension (FE) and lateral bending (LB), the neutral zone (NZ) of all motion directions, and the NZ stiffness (NZS) of FE. Biomechanical restoration by the NPP compared with the nuclectomized state was significant for the ROM of FE and axial rotation, the NZ of FE and LB, and the NZS of FE and LB. Disc height was significantly restored and 6/6 NPPs stayed intact and in situ. In conclusion, the NPPs swell in situ, have intrinsic radiopacity and restored disc height and aforementioned biomechanical properties. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 2012.
Fibroblast growth factor 23 inhibits extrarenal synthesis of 1,25-dihydroxyvitamin D in human monocytes
Authors: Bacchetta Justine , Sea Jessica L , Chun Rene F , Lisse Thomas S , Wesseling-Perry Katherine , Gales Barbara , Adams John S , Salusky Isidro B , Hewison Martin
Published: August 2012

Vitamin D is a potent stimulator of monocyte innate immunity, and this effect is mediated via intracrine conversion of 25-hydroxyvitamin D (25OHD) to 1,25-dihydroxyvitamin D (1,25(OH)2D). In the kidney, synthesis of 1,25(OH)2D is suppressed by fibroblast growth factor 23 (FGF23), via transcriptional suppression of the vitamin D-activating enzyme 1α-hydroxylase (CYP27B1). We hypothesized that FGF23 also suppresses CYP27B1 in monocytes, with concomitant effects on intracrine responses to 1,25(OH)2D. Healthy donor peripheral blood mononuclear cell monocytes (PBMCm) and peritoneal dialysate monocyte (PDm) effluent from kidney disease patients were assessed at baseline to confirm the presence of mRNA for FGF23 receptors (FGFRs), with Klotho and FGFR1 being more strongly expressed than FGFR2/3/4 in both cell types. Immunohistochemistry showed coexpression of Klotho and FGFR1 in PBMCm and PDm, with this effect being enhanced following treatment with FGF23 in PBMCm but not PDm. Treatment with FGF23 activated mitogen-activated protein kinase (MAPK) and protein kinase B (Akt) pathways in PBMCm, demonstrating functional FGFR signaling in these cells. FGF23 treatment of PBMCm and PDm decreased expression of mRNA for CYP27B1. In PBMCm this was associated with downregulation of 25OHD to 1,25(OH)2D metabolism, and concomitant suppression of intracrine induced 24-hydroxylase (CYP24A1) and antibacterial cathelicidin (LL37). FGF23 suppression of CYP27B1 was particularly pronounced in PBMCm treated with interleukin-15 to stimulate synthesis of 1,25(OH)2D. These data indicate that FGF23 can inhibit extra-renal expression of CYP27B1 and subsequent intracrine responses to 1,25(OH)2D in two different human monocyte models. Elevated expression of FGF23 may therefore play a crucial role in defining immune responses to vitamin D and this, in turn, may be a key determinant of infection in patients with chronic kidney disease (CKD). © 2013 American Society for Bone and Mineral Research
Modeling loop backbone flexibility in receptor‐ligand docking simulations
Authors: Flick Johannes , Tristram Frank , Wenzel Wolfgang
Published: August 2012

The relevance of receptor conformational change during ligand binding is well documented for many pharmaceutically relevant receptors, but is still not fully accounted for in in silico docking methods. While there has been significant progress in treatment of receptor side chain flexibility sampling of backbone flexibility remains challenging because the conformational space expands dramatically and the scoring function must balance protein–protein and protein–ligand contributions. Here, we investigate an efficient multistage backbone reconstruction algorithm for large loop regions in the receptor and demonstrate that treatment of backbone receptor flexibility significantly improves binding mode prediction starting from apo structures and in cross docking simulations. For three different kinase receptors in which large flexible loops reconstruct upon ligand binding, we demonstrate that treatment of backbone flexibility results in accurate models of the complexes in simulations starting from the apo structure. At the example of the DFG‐motif in the p38 kinase, we also show how loop reconstruction can be used to model allosteric binding. Our approach thus paves the way to treat the complex process of receptor reconstruction upon ligand binding in docking simulations and may help to design new ligands with high specificity by exploitation of allosteric mechanisms. © 2012 Wiley Periodicals, Inc.
The excited state dynamics study of di‐2‐pyridylketone in the A‐band and B‐band absorptions by using resonance Raman spectroscopy, IR and UV–visible spectroscopy
Authors: Wang LiBo , Zhang Wenfei , Shen Shaosong , Wang Huigang , Zheng Xuming , Zheng Anmin , Chu Yueying
Published: August 2012

Excitation wavelengths of 282.4, 273.9 (A band), 252.7, 239.5 and 228.7 nm (B band) resonance Raman spectra were acquired for di‐2‐pyridylketone, and density functional calculations were carried out to help in the elucidation of the photo relaxation dynamics of A‐band and B‐band electronic transitions. The resonance Raman spectra show that the intensity pattern of the A band presents great difference from that of the B band, which indicate that the short‐time A‐band (S0→S4) photo relaxation dynamics have substantial difference from that of B band (S0→S10) . The overall picture of short‐time dynamics and the vibronic coupling mechanisms are interpreted using Albrecht's theory. Copyright © 2012 John Wiley & Sons, Ltd.
Absorbed‐dose estimation and quality attributes of gamma‐irradiated fresh shiitake mushrooms
Authors: Akram Kashif , Ahn Jae‐Jun , Baek Ji‐Yeong , Yoon Sung‐Ran , Kwon Joong‐Ho
Published: August 2012

BACKGROUND: The general use of food irradiation requires reliable identification methods as well as extensive quality characterization. Shiitake (Lentinus edodes) mushrooms, packed in polystyrene trays and covered with polyvinylchloride film, were investigated for dose‐dependent identification and quality characterization upon gamma irradiation (0, 1, 2, and 3 kGy).

RESULTS: Thermoluminescence (TL) analysis of separated minerals provided excellent results to characterize the irradiated mushrooms. Low‐dose re‐irradiation (200‐600 Gy), medium‐dose re‐irradiation (1‐3 kGy) and high‐dose re‐irradiation (2‐6 kGy) were performed and compared using an additive dose method. An electronic‐nose analysis showed a difference in the volatile profiles of mushrooms following irradiation. One‐kGy‐irradiated mushrooms showed similar or better quality attributes to those of the control samples. Scanning electron microscopy revealed the dose‐dependent degradation in microstructure of mushrooms upon irradiation.

CONCLUSION: An absorbed dosed estimation was possible using TL analysis in which 1‐3 kGy re‐irradiation technique gave most promising results. An E‐nose analysis effectively distinguished the samples based on irradiation history. The best quality attributes were observed at 1 kGy irradiation. However, the drastic effects of irradiation were prominent in 2 and 3 kGy‐irradiated mushrooms. © 2012 Society of Chemical Industry
High‐throughput screening‐based selection and scale‐up of aqueous two‐phase systems for pDNA purification
Authors: Wiendahl Matthias , Oelmeier Stefan A. , Dismer Florian , Hubbuch Jürgen
Published: August 2012

Plasmid DNA (pDNA) is among the promising gene delivery vehicles currently evaluated for gene therapy. The large‐scale production of pDNA for pharmaceutical application necessitates purification steps with a high capacity and good separation of RNA from pDNA. Most commonly used process step in the production of biopharmaceutical, namely the divers modes of chromatography, fail as they offer too limited a capacity for the considerably larger pDNA molecules. Alternative separation steps might thus be beneficial. One such separation step, aqueous two‐phase extraction (ATPE) has previously been shown to work well for the purification of pDNA. The application of such a process step is however hampered by the large amount of material and time that goes into its development. In this publication, we demonstrate the use of an automatic, miniaturized ATPE screening system to the separation of pDNA from RNA. Two optimization strategies are presented: response surface methodology and genetic algorithms. Using a fully automated optimization strategy, we derived promising conditions that were scale‐up tenfold. The resulting purity and recovery surpassed previously published results demonstrating that a complex optimization task such as ATPE demands an appropriately complex optimization routine.
Management of nonesthesioneuroblastoma sinonasal malignancies with neuroendocrine differentiation
Authors: Fried David , Zanation Adam M. , Huang Benjamin , Hayes Neil , Morris David E. , Rosenman Julian , Varia Mahesh , Funkhouser William , Weissler Mark , Chera Bhishamjit S.
Published: August 2012

Objectives/Hypothesis:

Report the outcomes of patients with nonesthesioneuroblastoma (non‐ENB) sinonasal malignancies with neuroendocrine differentiation.

Study Design:

Single Institution Retrospective Case Series.

Methods:

We conducted a retrospective chart review of 19 biopsy‐proven non‐ENB sinonasal neuroendocrine carcinomas diagnosed between 1997 and 2010 and treated with multimodality therapy. Kaplan‐Meier estimates of local‐regional control (LRC), distant metastases–free survival (DMFS), and overall survival (OS) were calculated.

Results:

The 3‐year LRC, FFDM, and OS rates were 63%, 50%, and 64%, respectively. All nine patients receiving neoadjuvant chemoradiotherapy (CRT) had at least a pathologic partial response: three of seven sinonasal undifferentiated carcinomas and two of two sinonasal neuroendocrine carcinomas had complete pathological responses. All five patients with pathologic complete responses were alive without disease at a median follow‐up of 43 (29–67) months.

Conclusions:

Having a complete response pathologically to CRT was a favorable prognostic indicator. Neoadjuvant CRT followed by surgery seems to be an efficacious sequence of multimodality therapy.
Online Coupling of Size‐Exclusion Chromatography and Low‐Field 1H NMR Spectroscopy
Authors: Cudaj Markus , Guthausen Gisela , Hofe Thorsten , Wilhelm Manfred
Published: August 2012

Current results and limitations of a novel SEC–MR–NMR (size‐exclusion chromatography–medium resolution nuclear magnetic resonance) system are presented, delivering a direct correlation of chemical structure and molecular weight. A 20 MHz 1H NMR spectrometer based on permanent magnets was combined with a SEC setup. The NMR sensitivity was improved by digital filters, shims, and a self‐built flow probe when compared with time‐domain instruments. For optimum NMR signal‐to‐noise ratio (S/N) of polymer fractions and concomitantly reduced S/N of solvent signals, deuterated solvents or protonated solvents, with solvent suppression, were applied. Results are presented after optimization of both NMR and chromatographic components such as column dimension and volume flow.
Reliability‐based design of axially loaded drilled shafts using Monte Carlo method
Authors: Fan Haijian , Liang Robert
Published: August 2012

This paper presents a performance‐based reliability design methodology for axially loaded drilled shaft foundations using the Monte Carlo statistical methods. The performance criteria for an axially loaded drilled shaft are defined in terms of the drilled shaft head displacement. The load transfer method is used as the computational model for solving the nonlinear soil–foundation interaction problem and to predict the load–settlement curve at the drilled shaft head. The input to the computational model and the model error are treated as random variables. Particularly, soil properties such as soil strength parameters are modeled as random fields to account for soil spatial variability. Random field samples are generated using local averaging subdivision according to the prescribed statistical descriptors, including mean, variance, and correlation length. Given performance‐based acceptance criteria, the probability of failure can be evaluated for the prescribed load effects. A computer program is developed to facilitate the computation of the load–displacement curves of the drilled shaft head by using the commonly adopted load transfer concepts (t–z curves and q–w curves for shaft side and toe, respectively). Two design examples are presented, one for uplift and the other for compression, to illustrate the application of the developed performance‐based reliability design methodology. One of the important observations from the examples is that the computed probability of failure can be sensitive to the spatial variations of soil strengths characterized by the correlation structures. It is strongly recommended that spatial variation of soil properties be considered in the reliability‐based foundation design. Copyright © 2012 John Wiley & Sons, Ltd.
Nonlinear behavior of current‐dependent emission for diamond light‐emitting diodes
Authors: Makino Toshiharu , Kanno Shokichi , Yamasaki Satoshi , Kato Hiromitsu , Okushi Hideyo
Published: August 2012

Nonlinear emission characteristics of (111)‐oriented diamond p–i–n junction light‐emitting diodes (LEDs) were investigated. We measured the superlinear increase of excitonic emission and sublinear increase of deep‐level emission due to defects and/or impurity centers depending on injected current at room temperature (RT). These characteristics could not be explained by conventional carrier trapping and recombination processes at deep levels based on simple Shockley–Read–Hall statistics. We introduced three‐step processes of carrier trapping and recombination at charged deep levels via bound states, where the bound states are stable even at RT because of low dielectric constant in diamond. Rate equation analysis based on this concept simultaneously explained the superlinear increase of excitonic emission and sublinear increase of deep‐level emission for diamond LEDs.
Estimating deformations of random processes for correlation modelling in a limited area model
Authors: Michel Y.
Published: August 2012

Covariance models are widely used in data assimilation, especially when a variational formulation is chosen. Autocovariances for each variable are generally split into variance and correlation parts. Despite recent progress, the correlations are still often modelled as space‐stationary. A novel approach is introduced in this paper, where background error correlations are approximated by the spatial deformation of a stationary correlation model. The statistical calibration of this model involves estimating the deformation, its inverse and the stationary correlations. Leveraging previous work in the computer vision community, the problem is first described in two dimensions. Directional wavelets, also called warplets, are able to measure the energy of a random process at different scales and orientations. The texture gradient equation relates the wavelet analysis of a deformed process to local metric changes. From a few realizations, it is therefore possible to estimate local variations of the Jacobian of the deformation. This paper shows that a deformation can be recovered from the deformation gradient by solving partial differential equations of elliptic nature with inhomogeneous coefficients. The choice of boundary conditions is discussed. The method is then applied to the modelling of background error correlations in a limited area model. Qualitative intercomparison with other horizontal correlation models frequently used in atmospheric data assimilation, such as the diffusion equation or the diagonal assumption in a wavelet basis, suggests that the approach is also able to represent anisotropy to a fair degree. Copyright © 2012 Royal Meteorological Society
Finite element simulation of infrared laser ablation for mass spectrometry
Authors: Huang Fan , Murray Kermit K.
Published: August 2012

RATIONALE

Laser ablation is widely used in conjunction with ambient ionization techniques, and a fundamental understanding of the mechanism of material removal is important to its optimal use in mass spectrometry. Finite element analysis simulates the laser material interaction on larger time and distance scales than atomistic approaches. Here, a two‐dimensional finite element model was developed to simulate infrared laser irradiation of glycerol using a wavelength‐tunable infrared (IR) laser.

METHODS

The laser fluence used for the simulations was varied from 1000 to 6000 J/m2, the wavelength was varied from 2.7 to 3.7 µm, and both flat‐top and Gaussian shape laser profiles were studied.

RESULTS

Phase explosion conditions were found for laser wavelengths near 3 µm (which corresponds to the OH stretch absorption of glycerol) and fluences above 2000 J/m2. This suggests that laser ablation of glycerol is driven by phase explosion in the OH stretch region. The Gaussian profile generated regions of higher glycerol temperature, whereas the flat‐top profile heated a larger volume of material above the phase explosion temperature.

CONCLUSIONS

These results suggest that the best performance for pulsed IR laser sample irradiation is in the wavelength range from 2.9 to 3.1 µm for materials with a strong OH stretch absorption. Copyright © 2012 John Wiley & Sons, Ltd.
End‐group rearrangements in poly(propylene sulfide) matrix‐assisted laser desorption/ionization time‐of‐flight analysis. Experimental evidence and possible mechanisms
Authors: Lallana Enrique , Ferreri Tiziana , Carroccio Sabrina C. , Puga Ana M. , Tirelli Nicola
Published: August 2012

RATIONALE

Polysulfides [poly(1,2‐alkylene sulfides)] are oxidation‐responsive polymers that are finding application in drug release and biomaterials. The precise knowledge of their macromolecular characteristics is of the essence in view of their application to biological systems.

METHODS

Matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry (MALDI‐TOF MS) with and without silver trifluoroacetate was used to characterize a series of polymers with increasing molecular weight in the range 1000–4000 g/mol and with low polydispersity (<1.12).

RESULTS

Well‐resolved peaks and accurate mass‐measured values were obtained using a 2‐(4‐hydroxyphenylazo)benzoic acid (HABA) matrix, but significant fragmentations took place in the absence of silver as a cationizing reagent. Elimination reactions appeared to occur at terminal groups and limited depolymerization could be recorded. Interestingly, the most common fragmentation pathway seemed to be based on an as‐yet‐unreported process of hydrogen transfer requiring the presence both of ester groups and of thioethers.

CONCLUSIONS

The use of an appropriate cationizing reagent (silver trifluoroacetate) appeared to suppress end‐group eliminations; we hypothesize that this action is based on the involvement of the terminal groups in silver chelation. Copyright © 2012 John Wiley & Sons, Ltd.
Coping with Stressful or Traumatic Events: What Aspects of Trauma Reactions are Associated with Health Outcomes?
Authors: Boals Adriel , Riggs Shelley A. , Kraha Amanda
Published: August 2012

The presence of posttraumatic stress disorder (PTSD) symptoms has been shown to be related to a number of health outcomes. In the current study, we explored which specific aspects of PTSD are most related to health measures. The associations between the specific DSM‐IV‐TR PTSD criteria (criteria A–F) and five indicators of health and well‐being—physical health symptoms, quality of life, mental health, depression and negative affect—were examined. The sample consisted of 711 undergraduates. A non‐clinical sample was recruited so there would be variability in the various criteria for PTSD. Multiple regression analyses revealed that the hyperarousal (criterion D) was the most consistent and strongest predictor of outcomes. However, the F criterion (causes significant impairment) predicted additional variance in quality of life, depression and negative affect. These results suggest that it is not just the mere frequency of trauma symptoms that affect well‐being but also the disruptive capability of these symptoms. In addition, follow‐up analyses indicated that hyperarousal mediated the association between the A2 criterion (traumatic response) and all five outcome measures. These results underscore the importance of the hyperarousal criterion, while also suggesting the need for increased attention to the F criterion when considering the impact of stressful events on health and well‐being. Copyright © 2012 John Wiley & Sons, Ltd.
Quantitative Analysis of Micro‐Textures during Recrystallization in an Interstitial‐Free Steel
Authors: Lee Kye‐Man , Huh Moo‐Young , Engler Olaf
Published: August 2012

Two interstitial‐free steel samples were prepared by normal and by cross rolling. The effect of the resulting different deformation textures and microstructures on the subsequent recrystallization behavior was studied by micro‐texture analysis. The differences in recrystallization textures of the two differently rolled samples can be attributed to the microstructural differences in the as‐deformed state. The orientation distribution of the recrystallized grains forming at the early stages of the recrystallization dominated the final recrystallization textures, pointing to the importance of oriented nucleation in the formation of recrystallization textures of interstitial‐free steels.
Communicating probabilistic information from climate model ensembles—lessons from numerical weather prediction
Authors: Stephens Elisabeth M. , Edwards Tamsin L. , Demeritt David
Published: August 2012

Climate model ensembles are widely heralded for their potential to quantify uncertainties and generate probabilistic climate projections. However, such technical improvements to modeling science will do little to deliver on their ultimate promise of improving climate policymaking and adaptation unless the insights they generate can be effectively communicated to decision makers. While some of these communicative challenges are unique to climate ensembles, others are common to hydrometeorological modeling more generally, and to the tensions arising between the imperatives for saliency, robustness, and richness in risk communication. The paper reviews emerging approaches to visualizing and communicating climate ensembles and compares them to the more established and thoroughly evaluated communication methods used in the numerical weather prediction domains of day‐to‐day weather forecasting (in particular probabilities of precipitation), hurricane and flood warning, and seasonal forecasting. This comparative analysis informs recommendations on best practice for climate modelers, as well as prompting some further thoughts on key research challenges to improve the future communication of climate change uncertainties. WIREs Clim Change 2012. doi: 10.1002/wcc.187

This article is categorized under:

Climate Models and Modeling > Knowledge Generation with Models

Perceptions, Behavior, and Communication of Climate Change > Communication
Social learning and traditions in animals: evidence, definitions, and relationship to human culture
Authors: Galef Bennett G.
Published: August 2012

The number of publications concerned with social learning in nonhuman animals has expanded dramatically in recent decades. In this article, recent literature addressing three issues that have been of particular concern to those with both an interest in social learning and a background in experimental psychology are reviewed: (1) the definition as well as (2) empirical investigation of the numerous behavioral processes that support social learning in animals, and (3) the relationship of the ‘traditions’ seen in animals to the ‘culture’ that is so important in shaping the development of behavioral repertoires in humans. WIREs Cogn Sci 2012 doi: 10.1002/wcs.1196

This article is categorized under:

Psychology > Comparative Psychology