bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Synthesis of 1,4,5‐Trisubstituted‐1,2,3‐triazoles via Coupling Reaction of Diaminomaleonitrile with Aromatic Diazonium Salts.
Authors: Al‐Azmi Amal , Kalarikkal Anita K.
Published: June 2014

The reactions of aryldiazonium chlorides with diaminodicyanoethylene (I) are examined with respect to the formation of 1,2,3‐triazoles.
ChemInform Abstract: Facile Access to cis‐2,6‐Disubstituted Tetrahydropyrans by Palladium‐Catalyzed Decarboxylative Allylation: Total Syntheses of (.+‐.)‐Centrolobine and (+)‐Decytospolides A and B.
Authors: Zeng Jing , Tan Yu Jia , Ma Jimei , Leow Min Li , Tirtorahardjo Davin , Liu Xue‐Wei
Published: June 2014

Application of this method is demonstrated by the total syntheses of Centrolobine (VI) and Decytospolides A and B (VII).
ChemInform Abstract: An Efficient Three‐Component Synthesis of Amino‐Substituted Pyrano[3,2‐b]pyranones.
Authors: Meng Xiang‐Xue , Du Bai‐Xiang , Zhao Bo , Li Yu‐Ling , Chen Cai‐Fa
Published: June 2014

The applied ionic liquid can be reused at least three times.
ChemInform Abstract: Evaluation of Baylis—Hillman Routes to 3‐(Aminomethyl)coumarin Derivatives.
Authors: Olasupo Idris , Rose Nathan R. , Klein Rosalyn , Adams Luqman A. , Familoni Oluwole B. , Kaye Perry T.
Published: June 2014

Two different Baylis—Hillman approaches for the synthesis of coumarin derivatives containing peptide‐like side chains are investigated.
ChemInform Abstract: Concise Enantioselective Syntheses of (+)‐L‐733,060 and (2S,3S)‐3‐Hydroxypipecolic Acid by Cobalt(III)(salen)‐Catalyzed Two‐Stereocenter Hydrolytic Kinetic Resolution of Racemic Azido Epoxides.
Authors: Devalankar Dattatray A. , Chouthaiwale Pandurang V. , Sudalai Arumugam
Published: June 2014

Both substances are prepared with 99% enantiomeric excess.
ChemInform Abstract: Thiophostone‐Derived Broensted Acids in the Organocatalyzed Transfer Hydrogenation of Quinolines: Influence of the P‐Stereogenicity.
Authors: Ferry Angelique , Stemper Jeremy , Marinetti Angela , Voituriez Arnaud , Guinchard Xavier
Published: June 2014

Several phosphonic acid catalysts are synthesized and tested in a model reaction.
ChemInform Abstract: Broensted Acidic Deep Eutectic Solvent Catalyzed the One‐Pot Synthesis of 2H‐Indazolo[2,1‐b]phthalazine‐triones.
Authors: Wang Liang , Zhou Min , Chen Qun , He Ming‐Yang
Published: June 2014

The deep eutectic solvent catalyst is non‐toxic, inexpensive and easily recyclable and can be reused for at least five times without considerable loss of its effectivity.
ChemInform Abstract: A Convenient Synthesis of 4,6‐Dimethyl‐2‐(methylsulfonyl)pyrimidine.
Authors: Xu Defeng , Zhu Zhiling , Wang Ziqiao
Published: June 2014

The target compound is widely used in biological, pharmaceutical and agrochemical fields and is a key intermediate for the preparation of a number of bioactive compounds.
ChemInform Abstract: Chemoselective Three Component Reactions of 3‐Aminopyrazoles, Aldehydes and Malononitrile: Optimize the Structures and Compute the Energies of Possible Tautomers.
Authors: Sheibani Hassan , Saheb Vahid , Rezaei Marjan , Zahedifar Mahboobeh
Published: June 2014

The structure of the new reaction products (IV) is established by spectroscopic studies and theoretical DFT calculations.
ChemInform Abstract: Synthesis of a New Series of 4‐Quinazolinyl Piperazine Aryl Ureas.
Authors: Zhang Guangji , Fu Xiaobo , Peng Xinming , Li Xiuling , Chen Jianian
Published: June 2014

The synthesis of 4‐quinazolinyl piperazines procceds via the reaction of 4‐(1‐piperazinyl)‐quinazoline (I) with isocyanates formed in situ from aromatic amines and triphosgene.
ChemInform Abstract: Caesium Iodide as an Efficient Catalyst for Synthesis of N‐Substituted Azepines via Tandem Michael Addition and Cyclization under Aqueous Conditions.
Authors: Eshghi Hossein , Momen Sara , Gholizadeh Mostafa , Vakili Mohammad
Published: June 2014

Reuse of the catalyst does not lead to a significant decrease in its activity.
ChemInform Abstract: An Efficient One‐Pot Synthesis of Substituted 1,5‐Benzoxazepines and 1,5‐Benzothiazepines Using Potassium Dodecatungstocobaltate Trihydrate (PDTC, K5CoW12O40·3H2O) as Heterogeneous Catalyst.
Authors: Purandhar Koilkonda , Chari Murugulla Adharvana , Reddy Padi Pratap , Mukkanti Kagga , Reddy G. Mahesh
Published: June 2014

The synthesis of the title heterocycles succeeds under classical heating as well as microwave irradiation conditions (a little less product yield).
ChemInform Abstract: A Direct, Versatile Route to Functionalized Trialkoxysilanes.
Authors: Quiclet‐Sire Beatrice , Yanagisawa Yuuki , Zard Samir Z.
Published: June 2014

The peroxide initiated radical addition of dithiocarbonates (I) and (VII) to trialkoxy vinylsilanes (II) leads to functionalized trialkoxysilanes (III) and (VIII), respectively.
ChemInform Abstract: Diastereoselective Synthesis of Functionalized Phosphonates by Three‐Component Reaction Between Phosphites, Acetylene Diesters and Formanilides.
Authors: Anary‐Abbasinejad Mohammad , Tavakkoli Seyed‐Mahdi , Talebizadeh Mahdiyeh , Amjadi Nona
Published: June 2014

The one‐pot three‐component reaction proceeds with comparable yields with diethyl instead of dimethyl acetylenedicarboxylate.
ChemInform Abstract: Chemoenzymatic Approach to Synthesis of Hydroxylated Pyrrolidines from Benzoic Acid.
Authors: Hudlicky Tomas , Adams David R. , van Kempen Johannes , Hudlicky Jason R.
Published: June 2014

ipso‐Diol (II), prepared via a chemoenzymatic ipso‐dihydroxylation of benzoic acid, is used as a source of chirality in the synthesis of aza sugar derivative (XIV).
ChemInform Abstract: Oxyfadichalcones A—C: Three Chalcone Dimers Fused Through a Cyclobutane Ring from Tibetan Medicine Oxytropis Falcata Bunge.
Authors: Zhang Qing‐Ying , et al. et al.
Published: June 2014

Oxyfadichalcones A (I) and B (II) are unprecedented chalcone dimers fused by head‐to‐tail [2 + 2] cycloaddition, that has never been found previously in nature.
ChemInform Abstract: Solid Oxide Electrolysis Cell Analysis by Means of Electrochemical Impedance Spectroscopy: A Review
Authors: Nechache A. , Cassir M. , Ringuede A.
Published: June 2014

Review: 128 refs.
ChemInform Abstract: Gold Carbenes
Authors: Zhang Liming
Published: June 2014

Review: [64 refs.
ChemInform Abstract: Nucleophilic Carbenes of the Chromium Triad
Authors: Tonzetich Zachary J.
Published: June 2014

Review: 143 refs.
ChemInform Abstract: Rhodium Carbenes
Authors: Davies Huw M. L. , Parr Brendan T.
Published: June 2014

Review: 190 refs.
ChemInform Abstract: Chiral Perazamacrocycles: Synthesis and Applications. Part 2
Authors: Savoia Diego , Gualandi Andrea
Published: June 2014

Review: 227 refs.
ChemInform Abstract: Reactions of Indoles with Metal‐Bound Carbenoids
Authors: Davies Huw M. L. , Spangler Jillian E.
Published: June 2014

Review: 70 refs.
ChemInform Abstract: Recent Advances in Synthesis of 2‐Pyridones: A Key Heterocycle Is Revisited
Authors: Heravi Majid M. , Hamidi Hoda
Published: June 2014

Review: 52 refs.
ChemInform Abstract: Catalysis at the Organic Ligands
Authors: Mondloch Joseph E. , Farha Omar K. , Hupp Joseph T.
Published: June 2014

Review: 79 refs.
ChemInform Abstract: Strategies for Creating Active Sites in MOFs
Authors: Xamena Francesc X. Llabres I. , Luz Ignacio , Cirujano Francisco G.
Published: June 2014

Review: 93 refs.
ChemInform Abstract: Organometallic PdIII Complexes in C—C and C—Heteroatom Bond Formation Reactions
Authors: Khusnutdinova Julia R. , Mirica Liviu M.
Published: June 2014

Review: 115 refs.
ChemInform Abstract: Quinquevalent Phosphorus Acids
Authors: Balczewski Piotr , Skalik Joanna
Published: June 2014

Review: 286 refs.
ChemInform Abstract: Redox Catalysis in Organic Electrosynthesis: Basic Principles and Recent Developments
Authors: Francke Robert , Little R. Daniel
Published: June 2014

Review: 181 refs.
ChemInform Abstract: Catalytic Amide Formation from Non‐Activated Carboxylic Acids and Amines
Authors: Lundberg Helena , Tinnis Fredrik , Selander Nicklas , Adolfsson Hans
Published: June 2014

Review: [154 refs.
ChemInform Abstract: Hydrolysis of Oligosaccharides over Solid Acid Catalysts: A Review
Authors: Vilcocq Lea , Castilho Paula C. , Carvalheiro Florbela , Duarte Luis C.
Published: June 2014

Review: [81 refs.
ChemInform Abstract: Metal‐Catalyzed Annulation Reactions for π‐Conjugated Polycycles
Authors: Jin Tienan , Zhao Jian , Asao Naoki , Yamamoto Yoshinori
Published: June 2014

Review: [75 refs.
ChemInform Abstract: The Discovery and Development of Palladium(II)‐Catalyzed Oxidative Cross‐Coupling of Two Unactivated Arenes
Authors: Stuart David R. , Fagnou Keith
Published: June 2014

Review: 56 refs.
ChemInform Abstract: Liquid Crystals of the Twenty‐First Century ‐ Nematic Phase of Bent‐Core Molecules
Authors: Jakli A.
Published: June 2014

Review: 171 refs.
ChemInform Abstract: Direct Approaches to Nitriles via Highly Efficient Nitrogenation Strategy Through C—H or C—C Bond Cleavage
Authors: Wang Teng , Jiao Ning
Published: June 2014

Review: 80 refs.
ChemInform Abstract: Synthetic Methods for the Preparation of Platinum Anticancer Complexes
Authors: Wilson Justin J. , Lippard Stephen J.
Published: June 2014

Review: 373 refs.
ChemInform Abstract: Soft Matter Approaches for Enhancing the Catalytic Capabilities of Polyoxometalate Clusters
Authors: Zhang Baofang , Yin Panchao , Haso Fadi , Hu Lang , Liu Tianbo
Published: June 2014

Review: 52 refs.
ChemInform Abstract: Green Chemistry: “The Need or Necessity for Environment Protection”
Authors: Saxena Nisha , Konga Venu Gopal
Published: June 2014

Review: use of water as the best green solvent for various chemical and biological proesses and its superiority over other solvents; 20 refs.
ChemInform Abstract: Natural Deep Eutectic Solvents — Solvents for the 21st Century
Authors: Paiva Alexandre , Craveiro Rita , Aroso Ivo , Martins Marta , Reis Rui L. , Duarte Ana Rita C.
Published: June 2014

Review: 49 refs.
ChemInform Abstract: Signal Enhancement in Solid‐State NMR of Quadrupolar Nuclei
Authors: Perras Frederic A. , Viger‐Gravel Jasmine , Burgess Kevin M. N. , Bryce David L.
Published: June 2014

Review: 133 refs.
ChemInform Abstract: Single‐Sided Magnetic Resonance Profiling in Biological and Materials Science
Authors: Danieli Ernesto , Bluemich Bernhard
Published: June 2014

Review: 73 refs.
A survey of recent developments in parallel implementations of Gaussian elimination
Authors: Donfack Simplice , Dongarra Jack , Faverge Mathieu , Gates Mark , Kurzak Jakub , Luszczek Piotr , Yamazaki Ichitaro
Published: June 2014

Gaussian elimination is a canonical linear algebra procedure for solving linear systems of equations. In the last few years, the algorithm has received a lot of attention in an attempt to improve its parallel performance. This article surveys recent developments in parallel implementations of Gaussian elimination for shared memory architecture. Five different flavors are investigated. Three of them are based on different strategies for pivoting: partial pivoting, incremental pivoting, and tournament pivoting. The fourth one replaces pivoting with the Partial Random Butterfly Transformation, and finally, an implementation without pivoting is used as a performance baseline. The technique of iterative refinement is applied to recover numerical accuracy when necessary. All parallel implementations are produced using dynamic, superscalar, runtime scheduling and tile matrix layout. Results on two multisocket multicore systems are presented. Performance and numerical accuracy is analyzed. Copyright © 2014 John Wiley & Sons, Ltd.
The Role of Metacognitions in Expressed Emotion and Distress: A Study on Caregivers of Persons with First‐Episode Psychosis
Authors: Jansen Jens Einar , Harder Susanne , Haahr Ulrik Helt , Lyse Hanne‐Grethe , Pedersen Marlene Buch , Trauelsen Anne Marie , Simonsen Erik
Published: June 2014

Background

In first‐episode psychosis, the family is considered an important part in the recovery process. This is often accompanied by significant distress, which is acknowledged in numerous studies. However, little is known about the psychological factors involved.

Method

One hundred and twenty‐seven caregivers of persons with first‐episode psychosis completed a series of questionnaires aimed at investigating the contribution of expressed emotion and metacognitions to caregiver distress.

Results

Linear mixed model analysis found that emotional over‐involvement and metacognitions independently predicted caregiver distress. Mediation analysis using bootstrapping showed that emotional over‐involvement could be seen as mediating the effect of metacognitions on distress.

Conclusion

The current study is a first step towards understanding the role of metacognitions in caregiver distress, thus opening up for the possibility of using interventions from ‘contextual behaviour therapies’. Implications and future studies are discussed. Copyright © 2014 John Wiley & Sons, Ltd.

Key Practitioner Message

This study is the first attempt to address caregiver concerns from the perspective of contextual cognitive behavioural therapy.

The metacognitive framework for caregiver distress in first‐episode psychosis may help develop new therapeutic interventions to better support families.

The study proposes a psychological understanding of emotional over-involvement and caregiver distress.
High‐Performance Alkaline Direct Methanol Fuel Cell using a Nitrogen‐Postdoped Anode
Authors: Joghee Prabhuram , Pylypenko Svitlana , Wood Kevin , Bender Guido , O'Hayre Ryan
Published: June 2014

A commercial PtRu/C catalyst postdoped with nitrogen demonstrates a significantly higher performance (∼10–20 % improvement) in the anode of an alkaline direct methanol fuel cell than an unmodified commercial PtRu/C catalyst control. The enhanced performance shown herein is attributed at least partially to the increased electrochemical surface area of the PtRu/C after postdoping with nitrogen.
An Illumina metabarcoding pipeline for fungi
Authors: Bálint Miklós , Schmidt Philipp‐André , Sharma Rahul , Thines Marco , Schmitt Imke
Published: June 2014

High‐throughput metabarcoding studies on fungi and other eukaryotic microorganisms are rapidly becoming more frequent and more complex, requiring researchers to handle ever increasing amounts of raw sequence data. Here, we provide a flexible pipeline for pruning and analyzing fungal barcode (ITS rDNA) data generated as paired‐end reads on Illumina MiSeq sequencers. The pipeline presented includes specific steps fine‐tuned for ITS, that are mostly missing from pipelines developed for prokaryotes. It (1) employs state of the art programs and follows best practices in fungal high‐throughput metabarcoding; (2) consists of modules and scripts easily modifiable by the user to ensure maximum flexibility with regard to specific needs of a project or future methodological developments; and (3) is straightforward to use, also in classroom settings. We provide detailed descriptions and revision techniques for each step, thus giving the user maximum control over data treatment and avoiding a black‐box approach. Employing this pipeline will improve and speed up the tedious and error‐prone process of cleaning fungal Illumina metabarcoding data.
Habitat heterogeneity drives the geographical distribution of beta diversity: the case of New Zealand stream invertebrates
Authors: Astorga Anna , Death Russell , Death Fiona , Paavola Riku , Chakraborty Manas , Muotka Timo
Published: June 2014

To define whether the beta diversity of stream invertebrate communities in New Zealand exhibits geographical variation unexplained by variation in gamma diversity and, if so, what mechanisms (productivity, habitat heterogeneity, dispersal limitation, disturbance) best explain the observed broad‐scale beta diversity patterns. We sampled 120 streams across eight regions (stream catchments), spanning a north–south gradient of 12° of latitude, and calculated beta diversity (with both species richness and abundance data) for each region. We explored through a null model if beta diversity deviates from the expectation of stochastic assembly processes and whether the magnitude of the deviation varies geographically. We then performed multimodel inference analysis on the key environmental drivers of beta diversity, using Akaike's information criterion and model and predictor weights to select the best model(s) explaining beta diversity. Beta diversity was, unexpectedly, highest in the South Island. The null model analysis revealed that beta diversity was greater than expected by chance in all eight regions, but the magnitude of beta deviation was higher in the South Island, suggesting differences in environmental filtering and/or dispersal limitation between North and South Island. Habitat heterogeneity was the predominant driver of beta diversity of stream macroinvertebrates, with productivity having a secondary, and negative, contribution. This is one of the first studies accounting for stochastic effects while examining the ecological drivers of beta diversity. Our results suggest that local environmental heterogeneity may be the strongest determinant of beta diversity of stream invertebrates, more so than regional‐ or landscape‐scale variables.
Different morphology of Nuphar lutea in two contrasting aquatic environments and its effect on ecosystem engineering
Authors: Schoelynck Jonas , Bal Kris , Verschoren Veerle , Penning Ellis , Struyf Eric , Bouma Tjeerd , Meire Dieter , Meire Patrick , Temmerman Stijn
Published: June 2014

Aquatic plants (macrophytes) can have a large effect on river hydraulics and geomorphology. Though, the extent to how plant morphological plasticity actively influences these feedbacks has received little scientific attention. The nymphaeid macrophyte species Nuphar lutea (L.) Smith is characterized by a distinct leaf duality. Floating leaves shade most of the submerged leaves thereby limiting light penetration in the water. Despite their apparent negligible photosynthetic role, submerged leaves of N. lutea remain intact during summer and contribute a significant part to the total biomass. Our results indicate that the submerged leaves are crucial in plant–flow interactions and hence in the engineering potential of the plant, i.e. the capacity to locally reduce flow velocities and to promote sedimentation, including organic matter deposition. Plant individuals growing in running river water were compared to individuals from adjacent oxbow lake water. The number and size of submerged leaves were significantly higher for river standing individuals and the accumulated sediment contained significantly more organic matter, total nitrogen and total phosphorus, and was characterized by a lower carbon/nitrogen ratio and a finer grain size. We therefore argue that the submerged N. lutea canopy in rivers has the ability to create a high‐nutrient, low hydrodynamic environment, resembling the conditions found in oxbow lakes. Copyright © 2014 John Wiley & Sons, Ltd.
Assessing Critical Thinking in Higher Education: Current State and Directions for Next‐Generation Assessment
Authors: Liu Ou Lydia , Frankel Lois , Roohr Katrina Crotts
Published: June 2014

Critical thinking is one of the most important skills deemed necessary for college graduates to become effective contributors in the global workforce. The first part of this article provides a comprehensive review of its definitions by major frameworks in higher education and the workforce, existing assessments and their psychometric qualities, and challenges surrounding the design, implementation, and use of critical thinking assessment. In the second part, we offer an operational definition that is aligned with the dimensions of critical thinking identified from the reviewed frameworks and discuss the key assessment considerations when designing a next‐generation critical thinking assessment. This article has important implications for institutions that are currently using, planning to adopt, or designing an assessment of critical thinking.
Sensory characteristics and consumer liking of sausages with 10% fat and added rye or wheat bran
Authors: Arildsen Jakobsen Louise Margrethe , Vuholm Stine , Aaslyng Margit Dall , Kristensen Mette , Sørensen Karina Vejrum , Raben Anne , Kehlet Ursula
Published: June 2014

Improving the nutritional profile of sausages through the addition of dietary fiber might affect appetite, sensory characteristics, and liking differently depending on the fiber source. This study investigates the sensory characteristics and consumer acceptance of sausages with 10% (w/w) fat and added rye or wheat bran. Sensory descriptive attributes (odor, appearance, texture, and flavor) of rye bran sausage (RBS) and wheat bran sausage (WBS) were evaluated by a trained sensory panel (n = 9). A sausage with wheat flour (WFS) and two commercial 20% (20%S) and 10% (10%S) (w/w) fat sausages were also included. Liking was investigated in consumer tests with two Danish target groups (49 children aged between six and nine and 24 parents). RBS and WBS were similar with regard to their sensory descriptive attributes, but the structure of these sausages was coarser and the color was more brown than the other sausages. RBS was similar to the commercial 10%S with regard to several sensory attributes and liking, whereas WBS was the least juicy, had a higher intensity of cereal odor and flavor, and the lowest liking.
A simple and rapid chromatographic method to determine unauthorized basic colorants (rhodamine B, auramine O, and pararosaniline) in processed foods
Authors: Tatebe Chiye , Zhong Xining , Ohtsuki Takashi , Kubota Hiroki , Sato Kyoko , Akiyama Hiroshi
Published: June 2014

A simple and rapid high‐performance liquid chromatography (HPLC) method to determine basic colorants such as pararosaniline (PA), auramine O (AO), and rhodamine B (RB) in various processed foods was developed. Linearity of the calibration curves ranged from 0.05 to 50 μg/mL for PA and 0.05–100 μg/mL for AO and RB. The detection and quantification limits (LOD and LOQ) of the basic colorants, which were evaluated as signal‐to‐noise ratios of 3 for LOD and 10 for LOQ, ranged from 0.0125 to 0.05 and 0.025 to 0.125 μg/g, respectively. The recoveries and relative standard deviations of three basic colorants in six processed foods, namely, chili sauce, curry paste, gochujang (hot pepper paste), tandoori chicken (roasted chicken prepared with yogurt and spices), powder soup, and shrimp powder ranged from 70.2% to 102.8% and 0.8% to 8.0%, respectively. The intraday precision of the recovery test ranged from 1.7% to 4.5%, whereas the interday precision ranged from 3.7% to 7.7%. The reported method has been successfully applied to basic colorant determination in various processed foods such as fat‐based food matrices (curry paste and tandoori chicken), chili products (gochujang and chili sauce), and protein‐based products (shrimp powder and powder soup). Thin layer chromatography and liquid chromatography/mass spectrometry methods for the determination of basic colorants in processed foods were also developed for rapid analysis and identification, respectively. These methods are very useful for monitoring unauthorized basic colorants in inspection centers or quarantine laboratories in many countries.
Rock mass behaviour of weathered, jointed and faulted Khondalite – Examples from the underground crude oil storage caverns in Visakhapatnam, India
Authors: Millen Bernard , Sigl Oskar , Höfer‐Öllinger Giorgio
Published: June 2014

In 2008, Indian Strategic Petroleum Reserve Limited started construction of an underground unlined rock cavern complex for storage of imported crude oil at Visakhapatnam for 1.3 MMT (million metric tons) of crude oil. The excavation of the works was finally completed in February 2014. During the construction stage, after 95 % of the total excavation volume had already been excavated, an extreme wedge sliding event occurred in one of the cavern walls in April 2011, which caused a major delay to completion of the project. This wedge slide and other rock mass behaviour encountered during the excavation of the underground storage facility are described and discussed in this paper.
São Paulo Metro – developments in shield tunnelling
Authors: Rocha Hugo Cássio , Comulada Marc , Maidl Ulrich , Maia Carlos Henrique Turolla
Published: June 2014

The Metro Network in São Paulo has five lines in service with a total length of 107 km in one of the most booming cities in South America with a population of over 11 million inhabitants. The network can still be considered to be in its early stages; the first line was only constructed in 1968 and is now being extended. Whilst the settlement‐prone Tertiary soils under São Paulo and also the crystalline basement, with its different grades of weathering and fracturing and high abrasiveness, pose challenges for shield tunnelling, they actually represent optimum conditions for high performance shield tunnelling. The paper deals with the experience gained by operator Companhia do Metropolitano de São Paulo‐ Metrô, contractor Construtora Norberto Odebrecht and consultant Maidl Tunnelconsultants in the construction of the metro lines with mechanised shield tunnelling technology.
Simulation of liquefied sand by the Lattice Boltzmann method
Authors: Schenkengel Kay‐Uwe , Vrettos Christos
Published: June 2014

The Lattice Boltzmann method is increasingly used in the computational modeling of a wide variety of complex fluid flow problems. Macroscopic quantities like fluid density, velocity, or stress are expressed as moments of a distribution function. The approach can be adopted to simulate non‐Newtonian fluids. Laboratory tests on liquefied sand show a shear‐thinning behavior, i.e. decreasing viscosity with increasing shear strain rate. Geophysical flows show similar behavior. In the paper, the rheological behavior of the liquefied soil is characterized by means of a non‐linear model with upper and lower limiting values of the fluid viscosity. The main features of the applied numerical procedure are described. Typical situations are simulated such as liquefaction‐induced flow in a shaking table test, slope failure, and flow around a rigid wall embedded in liquefied soil. The results enable the qualitative assessment of the resulting displacement patterns.

Simulation von verflüssigtem Sand mit der Gitter‐Boltzmann‐Methode. Gitter‐Boltzmann‐Methoden werden zunehmend für die numerische Simulation einer Vielzahl von komplexen hydrodynamischen Problemstellungen angewandt. Makroskopische Eigenschaften wie Flüssigkeitsdichte, Geschwindigkeit oder Spannung werden als Momente einer Verteilungsfunktion dargestellt. Das Verfahren kann eingesetzt werden, um nicht‐Newtonsche Fluide zu modellieren. Laborversuche an verflüssigtem Sand zeigen ein scherverdünnendes Verhalten, d. h. abfallende Viskosität mit zunehmender Scherdehnungsrate. Geophysikalische Strömungen verhalten sich ähnlich. In der Arbeit erfolgt die rheologische Charakterisierung des verflüssigten Bodens mittels eines nichtlinearen Modells mit oberen und unteren Grenzwerten für die Viskosität. Die wesentlichen Merkmale der eingesetzten numerischen Methode werden beschrieben. Typische Situationen, wie verflüssigungsinduziertes Fließen in einem Rütteltischversuch, das Versagen einer Böschung sowie das Fließen um eine Wand in verflüssigtem Boden werden simuliert. Die Ergebnisse ermöglichen eine qualitative Erfassung der maßgebenden Verformungsmechanismen.
GKM Mannheim – Spezialtiefbau im Kraftwerksbau
Authors: Wölfle Gunther
Published: June 2014

Beim Neubau des Blocks 9 des Großkraftwerks Mannheim sind umfangreiche Bauarbeiten zu bewerkstelligen. Aufgrund des begrenzt zur Verfügung stehenden Platzes und zur Kostenoptimierung werden die benötigten Bauteile in ihrer räumlichen Ausdehnung assimiliert. Dies hat zur Folge, dass die Bauwerke immer tiefer in den Untergrund expandieren. Des Weiteren bündeln sich die Bauwerkslasten auf einer immer kleiner werdenden Fläche und müssen vom Untergrund möglichst setzungsunempfindlich aufgenommen werden. Dies bietet ein äußerst facettenreiches Betätigungsfeld für den Spezialtiefbau im Kraftwerksbau. Im Folgenden wird über die Vielfalt der hier zur Anwendung gekommenen Verfahren des Spezialtiefbaus und den damit verbundenen komplexen arbeitstechnischen Aufgaben berichtet.

Mannheim power station – foundation engineering in power plant construction. Extensive construction work is to be carried out for the new construction of block 9 at Mannheim power station. Due to the limited space available and to optimize costs, the required components will be assimilated in their spatial dimensions. The consequence of this is that the building works will expand deeper and deeper into the ground. Furthermore, the structural loads will become concentrated on an increasingly smaller space and must be supported from below ground as much as possible to avoid settlement. This offers an exceptionally diverse field of activity for foundation engineering in power plant construction. The following report covers the diversity of the foundation engineering techniques used and the complex procedural tasks associated with them.
Histopathological mapping of metastatic tumor cells in sentinel lymph nodes of oral and oropharyngeal squamous cell carcinomas
Authors: Denoth Seraina , Broglie Martina A. , Haerle Stephan K. , Huber Gerhard F. , Haile Sarah R. , Soltermann Alex , Jochum Wolfram , Stoeckli Sandro J.
Published: June 2014

Background

Sentinel lymph node biopsy is a reliable technique for accurate determination of the cervical lymph node status in patients with early oral and oropharyngeal cancer but analyses on the distribution pattern of metastatic spread within sentinel lymph nodes are lacking.

Methods

The localizations of carcinoma deposits were analyzed with a virtual microscope by creating digital images from the microscopic glass slides.

Results

Metastatic deposits were not randomly distributed within sentinel lymph nodes but were predominant in the central planes closer to the lymphatic inlet. Initial evaluation of the 4 most central slices achieved a high rate of 90% for the detection of micrometastases and of 80% for the detection of isolated tumor cells (ITCs).

Conclusion

Based on the distribution we recommend an initial cut through the hilus and to proceed with the 4 most central 150‐µm slices. Complete step sectioning is only required in case of a so far negative result. © 2014 Wiley Periodicals, Inc. Head Neck 37: 1477–1482, 2015
Prognostic value of pretreatment 18F‐fluorodeoxyglucose positron emission tomography/CT volume‐based parameters in patients with oropharyngeal squamous cell carcinoma with known p16 and p53 status
Authors: Kikuchi Masahiro , Koyasu Sho , Shinohara Shogo , Usami Yu , Imai Yukihiro , Hino Megumu , Itoh Kyo , Tona Risa , Kanazawa Yuji , Kishimoto Ippei , Harada Hiroyuki , Naito Yasushi
Published: June 2014

Background

The purpose of this study was to determine whether pretreatment 18F‐fluorodeoxyglucose‐positron emission tomography (18F‐FDG PET/CT) volume‐based parameters, such as metabolic tumor volume and total lesion glycolysis, add more prognostic information in patients with oropharyngeal squamous cell carcinoma (SCC).

Methods

The subjects were 47 patients with oropharyngeal SCC who underwent 18F‐FDG PET/CT before any treatment and followed by definitive therapy. PET parameters (metabolic tumor volume and total lesion glycolysis) and tumor p16/p53 status were evaluated retrospectively. Univariate and multivariate analyses were performed for disease‐free survival (DFS), disease‐specific survival (DSS), and overall survival (OS).

Results

All volume‐based PET parameters were found to be significant prognostic factors for DFS, DSS, and OS in univariate analysis. In multivariate analysis, only metabolic tumor volume for total tumor lesions (cutoff 65) retained an independent association with DFS, DSS, and OS.

Conclusion

Metabolic tumor volume for total tumor lesions may be a predictive marker for survival outcomes in patients with oropharyngeal SCC with known p16/p53 status. © 2014 Wiley Periodicals, Inc. Head Neck 37: 1524–1531, 2015
Free Convective Flow of Electrically Conducting and Viscous Immiscible Fluid Flow in a Vertical Channel in the Presence of First‐Order Chemical Reaction
Authors: Kumar J. Prathap , Umavathi J.C. , Kalyan Shreedevi
Published: June 2014

In this paper, the effects of chemical reaction on free convective flow of electrically conducting and viscous incompressible immiscible fluids are analyzed. The coupled nonlinear equations governing the heat and mass transfer are solved analytically and numerically with appropriate boundary conditions for each fluid and the solutions have been matched at the interface. The analytical solutions are solved by using regular perturbation method valid for small values of perturbation parameter and numerically by using finite difference method. The numerical results for various values of thermal Grashof number, mass Grashof number, Hartman number, viscosity ratio, width ratio, conductivity ratio, and chemical reaction parameter have been presented graphically in the presence and in the absence of electric field load parameter. In addition, the closed form expression for volumetric flow rate, Nusselt number, species concentration, and total heat rate added to the flow is also analyzed. The solutions obtained by finite difference method and perturbation method agree very well to the order of 10−4 for small values of perturbation parameter.
A Grounded Theory of Counseling Students Who Report Problematic Peers
Authors: Parker Lindy K. , Chang Catherine Y. , Corthell Kimere K. , Walsh Maggie E. , Brack Greg , Grubbs Natalie K.
Published: June 2014

All counselors, including students, are responsible for intervening when a colleague shows signs of impairment. This grounded theory study investigated experiences of 12 counseling students who reported problematic peers. An emergent theory of the peer reporting process is presented, along with implications for counselor educators and suggestions for future research.
Rural Latino Youth Career Development: An Application of Social Cognitive Career Theory
Authors: Ali Saba Rasheed , Menke Kristen A.
Published: June 2014

This study used social cognitive career theory (Lent, Brown, & Hackett, ) to investigate the career development of 9th‐grade students living in 2 rural communities with large numbers of Latino immigrants. Participants (55.3% Latino) responded to measures of vocational skills self‐efficacy, career decision outcome expectations, career aspirations, and barriers to postsecondary education. Contrary to previous findings, results indicated that Latino students in these communities reported higher self‐efficacy beliefs than did White students. Latino students also reported higher perceived barriers, but this did not seem to relate to their career aspirations. Results suggest that school and career counselors should focus on programming that attends to Latino students' self‐efficacy and outcome expectations, as well as efficacy for overcoming barriers. Doing so could prove useful for increasing career achievement among rural Latino youth.
Improving surface and transport properties of macroporous hydrogels for bone regeneration
Authors: Guarino Vincenzo , Galizia Michele , Alvarez‐Perez Marco , Mensitieri Giuseppe , Ambrosio Luigi
Published: June 2014

Hydrogels have been frequently considered as suitable materials for hard tissue engineering as mineralized extracellular matrix analogue. However, major lacks in bone‐substitution still concern the mimicking of native microenvironment for promoting cell differentiation into osteogenic way. Here, we propose the study of mineralized macroporous hydrogels (mMHs) made of poly(ethylenglycol)diacrylate fabricated by the combination of ultraviolet photopolymerization/salt leaching technique and treated by osteopromotive medium. We demonstrate that peculiar morphological and chemical features of mMH are crucial to create a reservoir system able to efficiently recruit environmental signals to cells. In particular, mass transport mechanisms are regulated by the coupling of a Knudsen‐type diffusion within the void space of the pores with a standard diffusion mechanism through the pores walls. Meanwhile, the deposition of hydrophilic mineral phases onto the pore surface further affects transport mechanisms, in view of their capability to establish interactions with water molecules and to exert mechanical constrains on the swelling of the hydrogel network, thus promoting slower diffusion kinetics. These properties concur to influence in vitro human mesenchymal stem cells activities: macropore architecture of the hydrogel‐like network positively affects cell recognition as compared to nonporous scaffolds, while osteopromotive treatment mainly allows to guide differentiation in osteogenic way as proved by staining of in vitro formed Ca‐rich mineral deposits (i.e., alizarin red) and expression via reverse transcription‐polymerase chain reaction of main bone markers. Hence, mMH is promising to develop three‐dimensional scaffolds as experimental model to study in vitro cell events during bone regeneration. © 2014 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 103A: 1095–1105, 2015.
QuBiLS‐MIDAS: A parallel free‐software for molecular descriptors computation based on multilinear algebraic maps
Authors: García‐Jacas César R. , Marrero‐Ponce Yovani , Acevedo‐Martínez Liesner , Barigye Stephen J. , Valdés‐Martiní José R. , Contreras‐Torres Ernesto
Published: June 2014

The present report introduces the QuBiLS‐MIDAS software belonging to the ToMoCoMD‐CARDD suite for the calculation of three‐dimensional molecular descriptors (MDs) based on the two‐linear (bilinear), three‐linear, and four‐linear (multilinear or N‐linear) algebraic forms. Thus, it is unique software that computes these tensor‐based indices. These descriptors, establish relations for two, three, and four atoms by using several (dis‐)similarity metrics or multimetrics, matrix transformations, cutoffs, local calculations and aggregation operators. The theoretical background of these N‐linear indices is also presented. The QuBiLS‐MIDAS software was developed in the Java programming language and employs the Chemical Development Kit library for the manipulation of the chemical structures and the calculation of the atomic properties. This software is composed by a desktop user‐friendly interface and an Abstract Programming Interface library. The former was created to simplify the configuration of the different options of the MDs, whereas the library was designed to allow its easy integration to other software for chemoinformatics applications. This program provides functionalities for data cleaning tasks and for batch processing of the molecular indices. In addition, it offers parallel calculation of the MDs through the use of all available processors in current computers. The studies of complexity of the main algorithms demonstrate that these were efficiently implemented with respect to their trivial implementation. Lastly, the performance tests reveal that this software has a suitable behavior when the amount of processors is increased. Therefore, the QuBiLS‐MIDAS software constitutes a useful application for the computation of the molecular indices based on N‐linear algebraic maps and it can be used freely to perform chemoinformatics studies. © 2014 Wiley Periodicals, Inc.
Source and Characteristic of Fluorescence Humic Substances in Arsenic Polluted Groundwater of Bangladesh
Authors: Tareq Shafi M
Published: June 2014

Fluorescence characteristic and molecular size distribution of groundwater humic substance (HS) from arsenic contaminated (AsCon) and uncontaminated (nAsCon) areas of Bangladesh indicated that source of HS in aquifers are different with specific molecular size distributions. AsCon area showed signature of microbial degraded HS with small molecular size (0.65 KDa) whereas nAsCon area has minor signature of microbial originated HS with relatively high molecular size (1.24 KDa).
Carbon Fiber Reinforced Plastics
Authors: Suttmann Oliver , Stute Uwe
Published: June 2014

Cutting or drilling of carbon fiber reinforced plastics (CFRP) components is required, for example, when a component needs to be trimmed or prepared for rivets. Lasers can be a very attractive tool for drilling and cutting fiber‐reinforced plastics, as they have already been successfully used in sheet metal processing: laser light is non‐wear and non‐tactile. It provides consistent production results, even on complex geometries. Today, mechanical processes still dominate manufacturing, although the mechanical load caused by the pressure of drilling can easily lead to delamination, and tools wear out quickly.
Polygon Laser Scanning
Authors: De Loor Ronny , Penning Lars , Slagle Rick
Published: June 2014

Throughput is key to enable the advent of high powered lasers sources. However, their deployment in large scale production is limited by the lack of adequately scaled scanning systems. Based on proven engineering concepts a polygon scanner system has been introduced in the market place. Together with novel all‐mirror focusing optics and high speed synchronization features a solution is discussed to unlock the potential for both legacy and ultrafast pulsed lasers in a range of applications.
Temperature and Stress Behavior During Close‐Edge Laser Welding
Authors: Stritt Peter , Weller Daniel
Published: June 2014

Welding aluminum in close edge position leads to non symmetric temperature distributions which strongly influence the resultant thermo‐mechanical loads. Therefore, a major challenge in this welding regime is the formation of hot cracks. A finite element model was established to predict the resultant stress and strain during welding, thus increasing the process knowledge, enabling flexible and cost‐effective process optimization.
Fiber‐coupled Diode Lasers with Highest Brilliance
Authors: Werner Ekkehard
Published: June 2014

Fiber‐coupled diodes providing high power in combination with high brightness are becoming more and more important for several applications such as direct material processing, medical applications and pumping high power fiber lasers. Especially direct diode systems or the pumping of high power fiber lasers require diodes with good efficiency and high brightness. These laser systems are becoming an increasingly important alternative to energy‐inefficient lamp‐pumped lasers for material machining processes such as cutting and welding.
Probing nanoparticles and nanoparticle‐conjugated biomolecules using time‐of‐flight secondary ion mass spectrometry
Authors: Kim Young‐Pil , Shon Hyun Kyong , Shin Seung Koo , Lee Tae Geol
Published: June 2014

Bio‐conjugated nanoparticles have emerged as novel molecular probes in nano‐biotechnology and nanomedicine and chemical analyses of their surfaces have become challenges. The time‐of‐flight (TOF) secondary ion mass spectrometry (SIMS) has been one of the most powerful surface characterization techniques for both nanoparticles and biomolecules. When combined with various nanoparticle‐based signal enhancing strategies, TOF‐SIMS can probe the functionalization of nanoparticles as well as their locations and interactions in biological systems. Especially, nanoparticle‐based SIMS is an attractive approach for label‐free drug screening because signal‐enhancing nanoparticles can be designed to directly measure the enzyme activity. The chemical‐specific imaging analysis using SIMS is also well suited to screen nanoparticles and nanoparticle–biomolecule conjugates in complex environments. This review presents some recent applications of nanoparticle‐based TOF‐SIMS to the chemical analysis of complex biological systems. © 2014 Wiley Periodicals, Inc. Mass Spec Rev 34: 237–247, 2015.
Design Some New Type‐I c‐met Inhibitors Based on Molecular Docking and Topomer CoMFA Research
Authors: Tian Yuanxin , Shen Yudong , Zhang Xianzuo , Ye Lianbao , Li Zhonghuang , Liu Zhong , Zhang Jiajie , Wu Shuguang
Published: June 2014

In this paper, a specific design strategy targeting c‐met kinase was reported based on docking modeling and topomer comparative molecular field analysis (Topomer CoMFA). A novel U‐shape conformation which is distinct from the literature was demonstrated by molecular docking among 68 U‐shape c‐met inhibitors. According to the docking results, two Topomer CoMFA models with high predictive ability were established based on the two fragment rule. The results from both docking and topomer CoMFA showed that the π–π stacking interaction with Tyr1230 and the hydrogen bond with hinge region play an important role in inhibitory activity. Furthermore, the flexible linker and the adjacent solvent group would be favorable to stabilize the conformation and to enhance the two interactions mentioned above. Based on our patent, 14 new compounds were designed by our design strategy. The binding mode exhibited as expected and their activities were predicted by topomer CoMFA model. The preliminary biological tests showed most of them have potent activity to c‐met kinase. Our study would provide guidelines to design some new U‐shaped c‐met inhibitors with new scaffolds and optimize the current molecules.
Bioisosteres and Scaffold Hopping in Medicinal Chemistry
Authors: Brown Nathan
Published: June 2014

The twin concepts of bioisosteric replacement and scaffold hopping are increasingly becoming important in modern drug design. The concepts of isosterism stretch back over a century, but only recently have systematic and data‐intensive methods been used to explore appropriate replacements. Here, a summary of the history of bioisosterism is presented to provide context to the methods applied. Molecular similarity and data mining methods are introduced as approaches to introduce these replacements to rationalise the space of synthetic targets to consider in a medicinal chemistry project. Lastly, an outlook of the field is given of potential future improvements and areas of focus that should be considered to anyone interested in the field.
Drug‐Like ProteinProtein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology
Authors: Villoutreix Bruno O. , Kuenemann Melaine A. , Poyet Jean‐Luc , Bruzzoni‐Giovanelli Heriberto , Labbé Céline , Lagorce David , Sperandio Olivier , Miteva Maria A.
Published: June 2014

Fundamental processes in living cells are largely controlled by macromolecular interactions and among them, proteinprotein interactions (PPIs) have a critical role while their dysregulations can contribute to the pathogenesis of numerous diseases. Although PPIs were considered as attractive pharmaceutical targets already some years ago, they have been thus far largely unexploited for therapeutic interventions with low molecular weight compounds. Several limiting factors, from technological hurdles to conceptual barriers, are known, which, taken together, explain why research in this area has been relatively slow. However, this last decade, the scientific community has challenged the dogma and became more enthusiastic about the modulation of PPIs with small drug‐like molecules. In fact, several success stories were reported both, at the preclinical and clinical stages. In this review article, written for the 2014 International Summer School in Chemoinformatics (Strasbourg, France), we discuss in silico tools (essentially post 2012) and databases that can assist the design of low molecular weight PPI modulators (these tools can be found at www.vls3d.com). We first introduce the field of proteinprotein interaction research, discuss key challenges and comment recently reported in silico packages, protocols and databases dedicated to PPIs. Then, we illustrate how in silico methods can be used and combined with experimental work to identify PPI modulators.