bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis Assisted by Electricity
Authors: Yoshida Jun‐ichi , Suga Seiji
Published: April 2012

The sections in this article are

Electroorganic Synthesis in Green Reaction Media (Homogeneous System)

Electroorganic Synthesis in Aqueous Solutions

Electroorganic Synthesis in Supercritical Carbon Dioxide

Electroorganic Synthesis in Ionic Liquids

Electroorganic Synthesis in Liquid–Liquid Biphasic Systems

Electroorganic Synthesis in Thermomorphic Liquid–Liquid Biphasic Systems

Electroorganic Synthesis in Solid–Liquid Biphasic Systems

Solid‐Supported Mediators

Solid–Liquid Biphasic System for Electrolysis Without Intentionally Added Supporting Electrolyte

SPETechnology

Electrolysis Using Solid‐Supported Bases

Electroorganic Synthesis in Microflow Systems

Electrochemical Microflow Cells

Paired Electrolysis in Microflow Systems

Electroorganic Synthesis in a Microflow System Without Using Intentionally Added Supporting Electrolyte

Future Outlook
Parameterization and Tracking of Optimization of Synthesis Strategy Using Computer Spreadsheet Algorithms
Authors: Andraos John
Published: April 2012

This chapter presents a methodology for parameterizing synthesis strategy using green metrics for the purpose of understanding synthesis design. With respect to material efficiency, synthesis plans are evaluated with respect to atom economy (
AE
), kernel reaction mass efficiency (
RME
), molecular weight building up parameter, degree of convergence, and degree of asymmetry using the synthesis tree algorithm. These parameters are easily calculated using simple template computer spreadsheet programs which are applicable to linear and convergent plans. With respect to synthesis efficiency, new concepts are introduced, namely hypsicity (oxidation level) index, target structure mapping, molecular weight fraction of sacrificial reagents used, and target bond‐forming reaction profiles. All of these ideas are illustrated using lysergic acid as a model synthesis target.
A Review of Green Synthesis of Nanophase Inorganic Materials for Green Chemistry Applications
Authors: Genuino Homer , Huang Hui , Njagi Eric , Stafford Lisa , Suib Steven L.
Published: April 2012

The sections in this article are

Introduction

Green Synthesis of Nanophase Inorganic Materials

Metal Oxide Nanoparticles

Hydrothermal Synthesis

Reflux Synthesis

Microwave‐Assisted Synthesis

Green Synthesis of Metallic Nanoparticles

Green Chemistry Applications of Inorganic Nanomaterials

Manganese Oxides

Titanium Dioxide

Environmental Applications of Nanomaterials

Background

Titanium Dioxide Nanomaterials

Zinc Oxide Nanomaterials

Iron‐Based Nanomaterials

Conclusion and Future Perspectives

Acknowledgment
Drugs
Authors: Kümmerer Klaus
Published: April 2012

The sections in this article are

Introduction

Pharmaceuticals – What They Are

Pharmaceuticals in the Environment – Sources, Fate, and Effects

Sources

Fate

Effects

Risk Management

(Advanced) Effluent Treatment and Its Limitations

Role of Patients, Pharmacists, and Doctors

Role of the Drugs

Designing Environmentally Safe Drugs

What are Safe Drugs?

Improvements Related to Use and After‐Use Life

Lower Activity Thresholds

Prodrugs

Drug Targeting, Drug Delivery, Degree of Metabolism

Biopharmaceuticals

Benign by Design

Why?

How?

Degradable Drugs – a Contradictionper se?

Structure Matters

Stability Versus Reactivity – How Stable Is Reactive Enough

Examples Demonstrating Feasibility

Conclusion
Greener Chelating Agents
Authors: Dixon Nicholas J.
Published: April 2012

Most water contains metal ions which can cause detrimental effects to chemical processes in the home and in industry. Metal ions in the environment are often controlled or removed by the use of chelating agents so as to prevent these effects. However, commonly used chelating agents are poorly biodegradable and concerns have been raised about their environmental effects. Considerable effort has gone into designing greener, more biodegradable alternatives, but as the reactivity of the alternatives is not the same as that of the original chelating agents, chemists have had to use their skill to find new, greener designs that are as effective without harming the environment.
Biochemical Pesticides: Green Chemistry Designs by Nature
Authors: Jones Russell S.
Published: April 2012

The sections in this article are

Introduction

The Historical Path to Safer Pesticides

Reduced‐Risk Conventional Pesticides

The Biopesticide Alternative: an Overview

Biochemical Pesticides

Natural Occurrence

Nontoxic Mode of Action Against the Target Pest

Plant Regulators

Semiochemicals

Biological Barriers

Induced Plant Resistance

History of Nontoxic Exposure to Humans and the Environment

Are Biochemical Pesticides the Wave of the Future?

Conclusion

Disclaimer
Cure kinetic study of epoxidized hemp oil cured with a multiple catalytic system
Authors: Manthey Nathan W. , Cardona Francisco , Aravinthan Thiru
Published: April 2012

The cure kinetics of two epoxidized hemp oil (EHO) based bioresins were studied and compared under both dynamic and isothermal conditions using differential scanning calorimetry (DSC). Neat triethylenetetramine (TETA) for the first system and a combination of isophorone diamine (IPD) and TETA for the second system were used as the hardeners for the two EHO‐based bioresins. Lower total heats of reaction and an approximate 10% decrease in activation energies were observed for the IPD/TETA system. Maximum conversions of the TETA/IPD system were consistently higher than those of the TETA system throughout the entire temperature range suggesting enhanced curing characteristics. Kissinger and Ozawa–Flynn–Wall models were used to determine activation energies from dynamic DSC data. Both bioresin systems were found to display autocatalytic behavior with the TETA/IPD system showing high nth order influence. Kamal's autocatalytic isothermal model, modified to account for diffusion postvitrification was found to satisfactorily describe the cure behavior of both bioresin systems. Overall, the addition of IPD was found to increase the curing rate of the EHO bioresin systems. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Preparation and photoluminescent characterization of poly(phenylene vinylene)/TiO2 nanoparticles composite nanofibers by one‐step electrospinning
Authors: Xie Yang , Sun Liguo , Wang Cheng , Wang Shuhong , Xu Guoqiang , Zhang Jian , Yan Eryun
Published: April 2012

A simple electrospinning progress, directly mixing method, was used to produce ultrafine poly(phenylene vinylene)/TiO2 (PPV/TiO2) composite nanofibers with diameters ranging from 100 to 300 nm. The effects of different TiO2 content on diameter, morphology, and structure of composite fibers were analyzed by scanning electron microscopy and transmission electron microscope. The results showed that composite polymer nanofibers with smooth surface were obtained when TiO2 concentration was below 18 wt %. The surface of the composite nanofibers became rougher with the increase of TiO2 content. The optical properties of the as‐prepared nanofibers were characterized by photoluminescence spectra and photographs, the results showed an increase in intensity of the high‐energy shoulder (510 nm) when the concentration of nanoparticles increased. X‐ray diffraction measurements showed that the increasing TiO2 content enhanced the amorphous phase of PPV in composite nanofibers. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Rubber content effect on scratch behavior in acrylonitrile‐styrene‐acrylate copolymers
Authors: Liang Yi‐Ling , Sue Hung‐Jue , Minkwitz Rolf
Published: April 2012

The scratch behavior of butyl‐acrylate rubber‐modified styrene‐acrylonitrile thermoplastics is investigated following the ASTM D7027 linearly increasing normal load test methodology. The critical normal loads at the onset of the major transitions along the scratch path, such as groove formation, scratch visibility, microcrack formation, and plowing, are reported and quantitatively analyzed. It is found that the scratch resistance generally deteriorates with increasing butyl‐acrylate rubber content, and is strongly related to the tensile and compressive yield stresses of the blends. Microscopy investigation indicates that a rubber content of up to 30 wt % in a styrene‐acrylonitrile copolymer (SAN) does not alter the scratch‐induced damage mechanisms, but only reduces the critical onset loads for the observed damage transitions. The present finding suggests that addition of rubber causes reductions in modulus, tensile, and compressive yield stresses, thus leading to deterioration in scratch resistance. It appears that the improvement in ductility for SAN after the rubber toughening does not benefit scratch resistance. Implication of rubber toughening on scratch behavior of polymers is discussed. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Rapid and simple determination of psychotropic phenylalkylamine derivatives in urine by direct injection liquid chromatography–electrospray ionization–tandem mass spectrometry
Authors: Kwon Woonyong , Kim Jin Young , Suh SungIll , In Moon Kyo
Published: April 2012

A direct injection liquid chromatography–electrospray ionization–tandem mass spectrometric method (LC‐ESI‐MS/MS) was developed and validated for the rapid and simple determination of 13 phenylalkylamine derivatives. Eight deuterium‐labeled compounds were prepared for use as internal standards (ISs) to quantify the analytes. Urine samples mixed with ISs were centrifuged, filtered through 0.22 µm filters and then injected directly into the LC‐ESI‐MS/MS system. The mobile phase was composed of 0.2% formic acid and 2 mM ammonium formate in distilled water and 0.2% formic acid and 2 mM ammonium formate in acetonitrile. The analytical column was a Capcell Pak MG‐II C18 (150 × 2.0 mm i.d., 5 µm, Shiseido). Separation and detection of the analytes were accomplished within 10 min. The linear ranges were 5–750 ng/mL (ephedrine and fenfluramine), 10–750 ng/mL (3,4‐methylenedioxyamphetamine, phendimetrazine, methamphetamine, 3,4‐methylenedioxyethylamphetamine and benzphetamine), 20–750 ng/mL (norephedrine, amphetamine, phentermine and ketamine) and 30–1000 ng/mL (3,4‐methylenedioxymethamphetamine and norketamine), with determination coefficients, R2, ≥ 0.9967. The intra‐day and inter‐day precisions were within 19.1%. The intra‐day and inter‐day accuracies ranged from −16.0 to 18.7%. The lower limits of quantification for all the analytes were lower than 26.5 ng/mL. The applicability of the method was examined by analyzing urine samples from drug abusers (n = 30). Copyright © 2012 John Wiley & Sons, Ltd.
Complexes of IrIII‐Octaethylporphyrin with Peptides as Probes for Sensing Cellular O2
Authors: Koren Klaus , Dmitriev Ruslan I. , Borisov Sergey M. , Papkovsky Dmitri B. , Klimant Ingo
Published: April 2012

IrIII–porphyrins are a relatively new group of phosphorescent dyes that have potential for oxygen sensing and labeling of biomolecules. The requirement of two axial ligands for the IrIII ion permits simple linkage of biomolecules by a one‐step ligand‐exchange reaction, for example, using precursor carbonyl chloride complexes and peptides containing histidine residue(s). Using this approach, we produced three complexes of IrIII–octaethylporphyrin with cell‐penetrating (Ir1 and Ir2) and tumor‐targeting (Ir3) peptides and studied their photophysical properties. All of the complexes were stable and possessed bright, long‐decay (unquenched lifetimes exceeding 45 μs) phosphorescence at around 650 nm, with moderate sensitivity to oxygen. The Ir1 and Ir2 complexes showed positive staining of a number of mammalian cell types, thus demonstrating localization similar to endoplasmic reticulum and ATP‐ and temperature‐independent intracellular accumulation (direct translocation mechanism). Their low photo‐ and cytotoxicity allows intracellular oxygen to be probed.
Palladium‐Catalyzed Asymmetric Quaternary Stereocenter Formation
Authors: Gottumukkala Aditya L. , Matcha Kiran , Lutz Martin , de Vries Johannes G. , Minnaard Adriaan J.
Published: April 2012

An efficient palladium catalyst is presented for the formation of benzylic quaternary stereocenters by conjugate addition of arylboronic acids to a variety of β,β‐disubstituted carbocyclic, heterocyclic, and acyclic enones. The catalyst is readily prepared from PdCl2, PhBOX, and AgSbF6, and provides products in up to 99 % enantiomeric excess, with good yields. Based on this strategy, (−)‐α‐cuparenone has been prepared in only two steps.
Glutamic Acid Modified Fenton System for Degradation of BTEX Contamination
Authors: Yehia Fatma Z. , Kandile Nadia G. , Badawi Abdelfatah M. , Mady Amr H.
Published: April 2012

The present study employed a modified Fenton system that aims to extend the optimum pH range towards neutral conditions for studying the oxidation of benzene, toluene, ethyl benzene, xylenes (BTEX) using glutamic acid (Glu) as an iron chelator. Addition of 20 mM Glu greatly enhanced the oxidation rate of BTEX in modified Fenton system at pH 5–7. A rapid mass destruction (>97% after 1 h) of BTEX as a water contaminant carried out in the presence of 500 mM H2O2, 10 mM Fe2+, and 20 mM Glu at pH 5 could be shown. The efficiency of this modified Fenton's system for mass destruction of BTEX in contaminated water was measured to estimate the impact of the major process variables that include initial concentrations of soluble Fe, H2O2, Glu (as metal chelating agent), and reaction time.
Phenanthrene Removal from Aqueous Solution on Sesame Stalk‐based Carbon
Authors: Kong Huoliang , He Jiao , Wu Huifang , Wu Hao , Gao Yanzheng
Published: April 2012

This work explored the performance of sesame stalk‐based carbon prepared at different carbonization temperatures and activated by potassium hydroxide in the removal of phenanthrene from an aqueous solution. At a carbon concentration of 10 mg/32 mL and a carbonization temperature of 700°C, the removal efficiency of phenanthrene approached 100%. Furthermore, with the presence of acenaphthene and naphthalene as co‐contaminants, the removal efficiency of phenanthrene by the prepared carbon was 99.60%, which was comparable to that by the commercial carbon. Hydrophobic interactions influenced phenanthrene removal, and partitioning appeared to be the dominant mechanism for phenanthrene removal from aqueous solution by sesame stalk‐based carbon. The results obtained from this work should provide insight into the reuse of agricultural residues, and also suggest a new avenue for the removal of polycyclic aromatic hydrocarbons from contaminated water utilizing carbon prepared from agricultural residue.
Comparative Study of Flavins Binding with Human Serum Albumin: A Fluorometric, Thermodynamic, and Molecular Dynamics Approach
Authors: Sengupta Abhigyan , Sasikala Wilbee D. , Mukherjee Arnab , Hazra Partha
Published: April 2012

Flavin adenine dinucleotide (FAD) and flavin mononucleotide (FMN) are derivatives of riboflavin (RF), a water‐soluble vitamin, more commonly known as vitamin B2. Flavins have attracted special attention in the last few years because of the recent discovery of a large number of flavoproteins. In this work, these flavins are used as extrinsic fluorescence markers for probing the microheterogeneous environment of a well‐known transport protein, human serum albumin (HSA). Steady‐state and time‐resolved fluorescence experiments confirm that both FMN and FAD bind to the Sudlow’s site‐1 (SS1) binding pocket of HSA, where Trp214 resides. In the case of RF, a fraction of RF molecules binds at the SS1, whereas the major fraction of RF molecules remains unbound or surface bound to the protein. Moreover, flavin(s)–HSA interactions are monitored with the help of isothermal titration calorimetry, which provides free energy, enthalpy, and entropy changes of binding along with the binding constants. The molecular picture of binding interaction between flavins and HSA is well explored by docking and molecular dynamics studies.
Audio quality in lossy networks for media‐specific forward error correction schemes
Authors: Inoie A.
Published: April 2012

A media‐specific forward error correction (FEC) is used to prevent the loss of audio packets due to noise or interference in the transmission and buffer overflow in the router. In this FEC scheme, for nth packet, the redundant data are added in (n + ϕ)th packet where ϕ is called the offset. In this paper, we consider an M/M/1/K queueing system and derive some simple expressions for calculating the audio qualities of the aforementioned schemes. We analytically and numerically show some counter‐examples and characteristics for these FEC schemes by using our analytical model. Copyright © 2012 John Wiley & Sons, Ltd.
Novel functions of murine B1 cells: Active phagocytic and microbicidal abilities
Authors: Gao Jixin , Ma Xiaoying , Gu Weijie , Fu Meng , An Jingang , Xing Ying , Gao Tianwen , Li Wei , Liu Yufeng
Published: April 2012

B1 cells are evolutionarily conserved innate‐like cells that share many features with macrophages. It has also been established that B1 cells have a close developmental relationship with macrophages. However, whether B1 cells are able to act as professional phagocytic cells is not clear. In this study, we report that mouse peritoneal cavity (PerC) B cells demonstrate in vivo and in vitro phagocytic activities for Staphylococcus aureus, Escherichia coli, and polystyrene fluorescent microspheres. Approximately 5% of PerC B cells, mainly B1b cells, showed phagocytic activity. Ingested microbes were killed efficiently in the phagolysosome. The antigen‐specific B‐cell antigen receptor promoted B‐cell phagocytosis, resulting in antigen presentation to T cells after uptake of bacteria. Our results reveal for the first time that mouse B1 cells have active phagocytic capabilities and thereby act as a bridge linking innate and adaptive immunity.
Effective T‐cell recall responses require the taurine transporter Taut
Authors: Kaesler Susanne , Sobiesiak Malgorzata , Kneilling Manfred , Volz Thomas , Kempf Wolfgang E. , Lang Philipp A. , Lang Karl S. , Wieder Thomas , Heller‐Stilb Birgit , Warskulat Ulrich , Häussinger Dieter , Lang Florian , Biedermann Tilo
Published: April 2012

T‐cell activation and the subsequent transformation of activated T cells into T‐cell blasts require profound changes in cell volume. However, the impact of cell volume regulation for T‐cell immunology has not been characterized. Here we studied the role of the cell‐volume regulating osmolyte transporter Taut for T‐cell activation in Taut‐deficient mice. T‐cell mediated recall responses were severely impaired in taut−/− mice as shown with B16 melanoma rejection and hapten‐induced contact hypersensitivity. CD4+ and CD8+ T cells were unequivocally located within peripheral lymph nodes of unprimed taut−/− mice but significantly decreased in taut−/− compared with taut+/+ mice following in vivo activation. Further analysis revealed that Taut is critical for rescuing T cells from activation‐induced cell death in vitro and in vivo as shown with TCR, superantigen, and antigen‐specific activation. Consequently, reduction of CD4+ and CD8+ T cells in taut−/− mice upon antigen challenge resulted in impaired in vivo generation of T‐cell memory. These findings disclose for the first time that volume regulation in T cells is an element in the regulation of adaptive immune responses and that the osmolyte transporter Taut is crucial for T‐cell survival and T‐cell mediated immune reactions.
Transcript profiling of CD16‐positive monocytes reveals a unique molecular fingerprint
Authors: Frankenberger Marion , Hofer Thomas P.J. , Marei Ayman , Dayyani Farshid , Schewe Stefan , Strasser Christine , Aldraihim Asaad , Stanzel Franz , Lang Roland , Hoffmann Reinhard , Costa Olivia Prazeres da , Buch Thorsten , Ziegler‐Heitbrock Loems
Published: April 2012

CD16‐positive (CD14++CD16+ and CD14+CD16++) monocytes have unique features with respect to phenotype and function. We have used transcriptional profiling for comparison of CD16‐positive monocytes and classical monocytes. We show herein that 187 genes are greater than fivefold differentially expressed, including 90 genes relevant to immune response and inflammation. Hierarchical clustering of data for monocyte subsets and CD1c+ myeloid blood dendritic cells (DCs) demonstrate that CD16‐positive cells are more closely related to classical monocytes than to DCs. Reverse transcriptase polymerase chain reaction for ten genes with the strongest differential expression confirmed the pattern including a lower messenger RNA level for CD14, CD163, and versican in CD16‐positive monocytes. The pattern was similar for CD16‐positive monocytes at rest and after exercise mobilization from the marginal pool. By contrast, alveolar macrophages, small sputum macrophages, breast milk macrophages, and synovial macrophages all showed a different pattern. When monocyte‐derived macrophages (MDMs) were generated from CD16‐positive monocytes by culture with macrophage colony‐stimulating factor in vitro, then the MDMs maintained properties of their progeny with lower expression of CD14, CD163, and versican compared with CD14++CD16− MDMs. Furthermore, CD16‐positive MDMs showed a higher phagocytosis for opsonized Escherichia coli. The data demonstrate that CD16‐positive monocytes form a distinct type of cell, which gives rise to a distinct macrophage phenotype.
An Improved and Safer Synthesis of (R)‐ and (S)‐4,4′‐Diaminomethyl‐BINAP
Authors: Dayoub Wissam , Favre‐Reguillon Alain , Berthod Mikael , Jeanneau Erwann , Mignani Gérard , Lemaire Marc
Published: April 2012

(R)‐ and (S)‐4,4′‐diaminomethyl‐BINAP were prepared in three steps from enantiomerically pure BINAPO in a global yield of 52 %. A regioselective bromination of BINAPO with NBS in HMimPF6 gave the desired 4,4′‐dibromo‐BINAPO in quantitative yield, and the recyclability of the ionic liquid was demonstrated. Copper cyanide cyanation of 4,4′‐dibromo‐BINAPO gave the 4,4′‐dicyano‐BINAPO in 70 % yield. Both enantiomers were characterized by NMR spectroscopy and HPLC analysis, and the structures were confirmed by X‐ray crystallography. The cyano and phosphane oxide groups of the resulting 4,4′‐dicyano‐BINAPO were reduced in one step to the corresponding 4,4′‐diaminomethyl‐BINAP by using tetramethyldisiloxane/Ti(OiPr)4 in 75 % yield.
Bioanalytical application of surface‐ and tip‐enhanced Raman spectroscopy
Authors: Pahlow Susanne , März Anne , Seise Barbara , Hartmann Katharina , Freitag Isabel , Kämmer Evelyn , Böhme René , Deckert Volker , Weber Karina , Cialla Dana , Popp Jürgen
Published: April 2012

Due to its fingerprint specificity and trace‐level sensitivity, surface‐enhanced Raman spectroscopy (SERS) is an attractive tool in bioanalytics. This review reflects the research in this highly interesting topic of the last 3–4 years. The detection of the SERS signature of biomolecules up to microorganisms and cells is introduced. Labeling using modified nanoparticles (SERS tags) is also introduced. In order to establish biomedical applications, SERS analysis is performed in complex matrices such as body fluids. Furthermore, the SERS technique is combined with other methods such as microfluidic devices for online monitoring and scanning probe microscopy (i.e. tip‐enhanced Raman spectroscopy, TERS) to investigate nanoscaled features. The present review illustrates the broad application fields of SERS and TERS in bioanalytics and shows the great potential of these methods for biomedical diagnostics.
Time‐kill studies with a ceftazidime‐treated mixed culture consisting of Pseudomonas aeruginosa, Burkholderia cepacia and Staphylococcus aureus
Authors: Riedele Christian , Reichl Udo
Published: April 2012

So far, time‐kill analyses were mostly done with isolates of bacteria. Here, we used a mixed culture consisting of Pseudomonas aeruginosa, Burkholderia cepacia, and Staphylococcus aureus to investigate the impact of ceftazidime treatment. Following an earlier study with the same strains, the influence of different ceftazidime concentrations as well as repeated ceftazidime treatment was tested. In order to assess the influence of substrate competition, which might be relevant to interpret mixed‐culture time‐kill studies, the major metabolites of the chemically defined cultivation medium were measured additionally. Time‐kill experiments were conducted in shake flasks with the chemically defined and modified medium M199. The cell concentration in the mixed culture was analyzed on the single‐species level using a quantitative terminal restriction fragment (qT‐RFLP) method. The amount of gluconate produced in mixed culture positively correlated with increased ceftazidime concentrations (5, 15, 30, 60 mg/L). Burkholderia cepacia developed resistance after repeated ceftazidime addition and reached the highest cell concentration of the three cultivated strains. Pseudomonas aeruginosa showed a pronounced regrowth phase after removal of ceftazidime, while growth of S. aureus was not influenced by medium exchange. In conclusion, growth of B. cepacia was dominant in the ceftazidime‐treated mixed culture over the observed time range, due to low susceptibility against ceftazidime as well as advantages in substrate usage.
Quantification of vertical water fluxes in the vadose zone using particle‐size distribution and pedology‐based approaches to model soil heterogeneities
Authors: Ounaïes Sana , Schäfer Gerhard , Trémolières Michèle
Published: April 2012

One‐dimensional flow simulations were conducted at four locations of the shallow alluvial aquifer of the upper Rhine River (at the Erstein polder) to quantify the time‐dependent moisture distribution, the water flux and the water volume infiltrated in the unsaturated zone as a function of soil heterogeneities during a five‐day‐long flooding event. Three methods of estimating the hydraulic parameters of soil in the vadose zone were tested. They are based on the following: (1) experimental data, (2) soil particle‐size distribution and (3) pedology information on soils. Water fluxes calculated from modelling approaches 2 and 3 were compared with those of the experiment‐based values and the effect of these differences on the arrival time and velocity of water at the water table were analysed. Major differences in water fluxes were found among the methods of estimating the hydrodynamic parameters. At the Terrace location, the groundwater recharge predicted using soil data from methods 1 and 2 are approximately 4500 and 2400 mm, respectively. Flow simulations using soil data and the experiment‐based method show the highest velocities of infiltrating water at the soil surface and largest volume of groundwater infiltration but result in the lowest centres of the moisture content mass. The results obtained using soil data based on the pedological method are similar to those calculated using soil parameters based on the particle‐size distribution of extracted soil samples. Water pressure profiles calculated on Terrace and Channel location, 3 and 7 days after the inundation event agreed reasonably well with those observed when using hydrodynamic parameters from the experiment‐based method. However, the flow model using the pedology‐based parameters largely underestimates the time needed to achieve hydrostatic conditions of the soil water profile once water flooding at the soil surface stops. This can be mainly attributed to the low values of estimated van Genuchten parameter α. Copyright © 2012 John Wiley & Sons, Ltd.
Analyzing the catalytic processes of immobilized redox enzymes by vibrational spectroscopies
Authors: Sezer Murat , Millo Diego , Weidinger Inez M. , Zebger Ingo , Hildebrandt Peter
Published: April 2012

Analyzing the structure and function of redox enzymes attached to electrodes is a central challenge in many fields of fundamental and applied life science. Electrochemical techniques such as cyclic voltammetry which are routinely used do not provide insight into the molecular structure and reaction mechanisms of the immobilized proteins. Surface‐enhanced infrared absorption (SEIRA) and surface‐enhanced resonance Raman (SERR) spectroscopy may fill this gap, if nanostructured Au or Ag are used as conductive support materials. In this account, we will first outline the principles of the methodology including a description of the most important strategies for biocompatible protein immobilization. Subsequently, we will critically review SERR and SEIRA spectroscopic approaches to characterize the protein and active site structure of the immobilized enzymes. Special emphasis is laid on the combination of surface‐enhanced vibrational spectroscopies with electrochemical methods to analyze equilibria and dynamics of the interfacial redox processes. Finally, we will assess the potential of SERR and SEIRA spectroscopy for in situ investigations on the basis of the first promising studies on human sulfite oxidase and hydrogenases under turnover conditions. © 2012 IUBMB IUBMB Life, 2012
Interactions via intrinsically disordered regions: What kind of motifs?
Authors: Pancsa Rita , Fuxreiter Monika
Published: April 2012

Proteins containing intrinsically disordered (ID) regions are widespread in eukaryotic organisms and are mostly utilized in regulatory processes. ID regions can mediate binary interactions of proteins or promote organization of large assemblies. Post‐translational modifications of ID regions often serve as decision points in signaling pathways. Why Nature distinguished ID proteins in molecular recognition functions? In a simple view, binding of ID regions is accompanied by a large entropic penalty as compared to folded proteins. Even in complexes however, ID regions can preserve their conformational freedom, thereby recruit further partners and perform various functions. What sort of benefits ID regions offer for molecular interactions and which properties are exploited in the corresponding complexes? Here, we review models explaining the recognition mechanisms of ID proteins. Motif‐based interactions are central to all proposed scenarios, including prestructured elements, anchoring sites and linear motifs. We aim to extract consensus features of the models, which could be used to predict ID‐binding sites for a variety of partners. © 2012 IUBMB IUBMB Life, 2012
Increment of hematopoietic progenitor cell count as an indicator of efficient autologs stem cell harvest in patients with multiple myeloma
Authors: Jo Jae‐Cheol , Yoon Dok Hyun , Kim Shin , Jang Seongsoo , Park Chan Jeoung , Chi Hyun‐Sook , Park Chan‐Sik , Huh Jooryung , Lee Sang‐Wook , Suh Cheolwon
Published: April 2012

We previously showed that hematopoietic progenitor cell (HPC) count is a useful surrogate for the timing of autologs stem cell collection (ASCC). We investigated the role of HPC count increment in predicting the time for optimal ASCC in patients with multiple myeloma (MM). Between May 2002 and January 2011, 138 patients with MM who underwent ASCC after mobilization with cyclophosphamide (4 g/m2) and granulocyte‐colony stimulating factor at Asan Medical Center. HPC monitoring was started on the 10th day of cyclophosphamide administration and ASCC was performed when HPC count reached at least 10/mm3. Velocity of HPC increment (/mm3/day) was calculated as HPC count on the first day of ASCC/number of days from cyclophosphamide infusion to the first day of ASCC. A total of 422 leukapheresis were performed in 136 patients (median per patient: 3; range: 2–8). Of these patients, 131 (94.9%) successfully achieved optimal ASCC (≥5 × 106 CD34+ cells/kg). The median velocity of HPC increment was 2.17/mm3/day (range: 0.07–144.2/mm3/day). The mean ± standard error numbers of apheresis procedures in patients with velocity of HPC increment ≤2.0/mm3/day and >2.0/mm3/day were 3.43 ± 0.17 and 2.70 ± 0.11, respectively, and their median times to optimal ASCC were 15 and 13 days, respectively, with a hazard ratio of 0.47 (95% confidence interval, 0.32–0.68; P < 0.001) on multivariate analysis. Therefore, a slower increase of HPC of ≤2.0/mm3/day is associated with larger number of apheresis procedures for optimal ASCC. J. Clin. Apheresis 27:229–234, 2012. © 2012 Wiley Periodicals, Inc.
The effect of reactive atypia/inflammation on the laser‐induced fluorescence diagnosis of non‐dysplastic Barrett's esophagus
Authors: Panjehpour Masoud , Overholt Bergein F. , Vo‐Dinh Tuan , Coppola Domenico
Published: April 2012

Background and Objectives

Differential Normalized Fluorescence (DNF) technique has been used to distinguish high‐grade dysplasia from non‐dysplastic Barrett's esophagus. This technology may assist gastroenterologists in targeting biopsies, reducing the number of biopsies using the standard protocol. In the presence of reactive atypia/inflammation, it becomes difficult for the pathologist to differentiate non‐dysplastic Barrett's esophagus from Barrett's esophagus with low‐grade dysplasia. Before DNF technique may be used to guide target biopsies, it is critical to know whether reactive atypia/inflammation in non‐dysplastic Barrett's may result in false positives.

This study was conducted to determine whether DNF technique is adversely affected by the presence of reactive atypia/inflammation in non‐dysplastic Barrett's esophagus resulting in false positives.

Study Design/Materials and Methods

Four hundred ten‐nanometer laser light was used to induce autofluorescence of Barrett's mucosa in 49 patients. The clinical study included 37 males and 12 females. This was a blinded retrospective data analysis study. A total of 303 spectra were collected and matched to non‐dysplastic Barrett's biopsy results. One hundred seventy‐five spectra were collected from areas with a pathology of non‐dysplastic Barrett's esophagus with reactive atypia/inflammation. One hundred twenty‐eight spectra were collected from areas with non‐dysplastic Barrett's esophagus without reactive changes/inflammation. The spectra were analyzed using the DNF Index at 480 nm and classified as positive or negative using the threshold of −0.75 × 10−3.

Results

Using DNF technique, 92.6% of non‐dysplastic samples with reactive atypia/inflammation were classified correctly (162/175). 92.2% of non‐dysplastic samples without reactive atypia/inflammation were classified correctly (118/128). Comparing the ratios of false positives among the two sample groups, there was not a statistically significant difference between the two groups.

Conclusion

Using DNF technique for classification of non‐dysplastic Barrett's mucosa does not result in false‐positive readings due to reactive atypia/inflammation. Target biopsies guided by DNF technique may drastically reduce the number of pinch biopsies using the standard biopsy protocol. Lasers Surg. Med. 44: 390–396, 2012. © 2012 Wiley Periodicals, Inc.
Enhanced interpretability of the PFDI‐20 with establishment of reference scores among women in the general population
Authors: Gafni‐Kane Adam , Goldberg Roger P. , Sand Peter K. , Botros Sylvia M.
Published: April 2012

Aims

To enhance the interpretability of the PFDI‐20 by establishing a score distribution for women in the general population and to determine whether scores correspond with urinary and anal incontinence (UI and AI).

Methods

Subjects recruited during Twins Day Festivals from 2004 to 2009 completed a survey assessing for stress and urgency urinary incontinence (SUI and UUI) and AI of flatus and stool. Score distributions for the PFDI‐20 and each of its subscales were determined for all subjects and for women with isolated forms of incontinence. Scores were compared between continent and incontinent women and between incontinent subtypes by Wilcoxon rank‐sum tests.

Results

One thousand three hundred seventy‐six women completed the survey with PFDI‐20 (Median = 8.9, IQR 31.3), POPDI‐6 (Median = 0, IQR = 8.3), CRADI‐8 (Median = 0, IQR = 10.7), and UDI‐6 (Median = 0, IQR = 16.7). PFDI‐20, POPDI‐6, CRADI‐8, and UDI‐6 scores were significantly greater among women reporting isolated SUI (P < 0.0001, P = 0.04, P < 0.0001, P < 0.0001, respectively), UUI (P < 0.0001, P = 0.02, P < 0.0001, P < 0.0001, respectively), mixed UI (P < 0.0001 each), AI flatus (P < 0.0001 each), and AI stool (P < 0.0001 each) compared to those denying incontinence. Women with mixed UI had significantly greater PFDI‐20 and UDI‐6 scores compare to those with SUI (P < 0.0001) or UUI (P < 0.0001). Subjects with AI stool had significantly greater PFDI‐20 and CRADI‐8 scores compared to those with AI flatus (P = 0.01).

Conclusions

PFDI‐20 scores from a sample of the general population correspond with the presence or absence of UI and AI. These normative and symptom‐specific score distributions for the PFDI‐20 provide reference points to gauge the effect of disease and intervention on quality of life for women with incontinence. Neurourol. Urodynam. 31:1252–1257, 2012. © 2012 Wiley Periodicals, Inc.
Synthesis and Structural Characterization of Stable Branched DNA G‐Quadruplexes Using the Trebler Phosphoramidite
Authors: Ferreira Rubén , Alvira Margarita , Aviñó Anna , Gómez‐Pinto Irene , González Carlos , Gabelica Valérie , Eritja Ramon
Published: April 2012

Guanine (G)‐rich sequences can form a noncanonical four‐stranded structure known as the G‐quadruplex. G‐quadruplex structures are interesting because of their potential biological properties and use in nanosciences. Here, we describe a method to prepare highly stable G‐quadruplexes by linking four G‐rich DNA strands to form a monomolecular G‐quadruplex. In this method, one strand is synthesized first, and then a trebler molecule is added to simultaneously assemble the remaining three strands. This approach allows the introduction of specific modifications in only one of the strands. As a proof of concept, we prepared a quadruplex where one of the chains includes a change in polarity. A hybrid quadruplex is observed in ammonium acetate solutions, whereas in the presence of sodium or potassium, a parallel G‐quadruplex structure is formed. In addition to the expected monomolecular quadruplexes, we observed the presence of dimeric G‐quadruplex structures. We also applied the method to prepare G‐quadruplexes containing a single 8‐aminoguanine substitution and found that this single base stabilizes the G‐quadruplex structure when located at an internal position.
In0.53Ga0.47As MOS‐HEMTs on GaAs and Si substrates grown by MOCVD
Authors: Zhou Xiuju , Tang Chak Wah , Li Qiang , Lau Kei May
Published: April 2012

High‐performance In0.53Ga0.47As metal‐oxide‐semiconductor high‐electron‐mobility‐transistors (MOS‐HEMTs) on GaAs substrates grown by metal organic chemical vapor deposition (MOCVD) are demonstrated. A low‐temperature process has been developed to achieve low contact resistances while maintaining the quality of the dielectric/III–V interface. Atomic‐layer‐deposited Al2O3 was used as the gate dielectric on top of a δ‐doped In0.51Al0.49As/In0.53Ga0.47As metamorphic heterostructure. A 1‐µm gate‐length device exhibits a maximum drain current of 646 mA/mm and an extrinsic peak transconductance of 575 mS/mm, respectable values for III–V metal‐oxide‐semiconductor field‐effect transistors (MOSFETs) on GaAs substrates. In addition, preliminary results of In0.53Ga0.47As MOS‐HEMTs on Si substrates, also grown by MOCVD, are presented for comparison.
Enhanced piezoelectric properties of 〈001〉 textured lead‐free (KxNa1 − x)0.946Li0.054NbO3 ceramics with large strain
Authors: Hao Jigong , Ye Chenggen , Shen Bo , Zhai Jiwei
Published: April 2012

Dense 〈001〉‐oriented (KxNa1 − x)0.946Li0.054NbO3 (KxNLN) ceramics with high texture quality (Lotgering factor F001 > 80%) and excellent piezoelectric properties were produced by templated grain growth using plate‐like NaNbO3 particles as templates. Compared with randomly oriented KxNLN ceramics, textured samples show greatly enhanced properties. The room‐temperature strain hysteresis S, the piezoelectric coefficient $d_{{\rm 33}}^{{\rm *}} $ and d33 reach up to 0.15–0.21%, 333–471 pm/V, and 231–254 pC/N, respectively, which are all about 1.6–1.8 times larger than those of nontextured ceramics with the same composition. The temperature‐dependent strain characteristic is shown in both textured and nontextured ceramics around the polymorphic phase transition (PPT) temperature, confirming that this behavior is determined by the PPT temperature, which is unaffected by texturing. Moreover, good resistance to thermal depoling was obtained in KxNLN ceramics, indicating this system is a very promising piezoelectric material for high‐temperature applications.
Surface acoustic waves and elastic constants of InN epilayers determined by Brillouin scattering
Authors: Jiménez‐Riobóo R. J. , Cuscó R. , Domènech‐Amador N. , Prieto C. , Yamaguchi T. , Nanishi Y. , Artús L.
Published: April 2012

The surface acoustic wave velocity in InN has been experimentally determined by means of Brillouin scattering experiments on c ‐ and m ‐face epilayers. From simulations based on the Green's function formalism we determine the shear elastic constants c66 and c44 and propose a complete set of elastic constants for wurtzite InN. The analysis of the sagittal and azimuthal dependence of the surface acoustic wave velocity indicates a slightly different elastic behavior of the m ‐face sample that basically affects the c44 elastic constant. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Evaluation of monolayers and multilayers of phenylene sulfide oligomers on metal surfaces using TOF‐SIMS and AFM
Authors: Inoue Masae , Mitsuoka Takuya , Kikuzawa Yoshihiro , Takeuchi Hisato
Published: April 2012

We attempted to evaluate the interaction between metal and polyphenylene sulfide (PPS), and especially metal–sulfur bonding, by using time‐of‐flight secondary ion mass spectrometry and atomic force microscopy. As model PPS compounds, two kinds of phenylene sulfide oligomer—a tetramer and a heptamer—were synthesized and their monolayers and multilayers were formed on Ag, Cu, and Al substrates. Comparison of the monolayers with the multilayers revealed that, in the case of the tetramer, the monolayers formed uniformly on all substrates and metal–sulfur bonds were present. The Ag–sulfur and Cu–sulfur bonds were stronger than the Al–sulfur bond. In contrast, with the heptamer, the molecular interaction was stronger than that with the substrates, and consequently the sulfur atoms did not contact the metals. Therefore, the monolayers barely formed on all substrates. These results indicated that the larger the oligomer, the weaker the metal–sulfur bonding; this is one of the reasons why it is difficult to join PPS to metal directly. Copyright © 2012 John Wiley & Sons, Ltd.
Measurement of oxide thin film dissolution rate on the HA‐coated Ti alloy by scanning electron microscopy and impedance spectroscopy
Authors: Kim Jae‐Un , Jeong Yong‐Hoon , Choe Han‐Cheol
Published: April 2012

The measurement of oxide thin film dissolution rate on the hydroxyapatite (HA)‐coated Ti alloy was researched by scanning electron microscopy and impedance spectroscopy. For this study, Ti‐35Nb‐xHf alloys containing Hf from 3 wt.% to 15 wt.% were manufactured by using a vacuum furnace system. Ti‐35Nb‐xHf alloys were homogenized for 24 h at 1000 °C. HA thin films for applications in the bio‐medical field were grown by radio‐frequency (RF) magnetron sputtering techniques. RF power of 50 W was applied to the target for 1 h at 100 °C. The microstructure, phase, and composition of HA‐coated Ti‐35Nb‐xHf alloys were examined by field‐emission scanning electron microscopy, energy dispersive X‐ray spectroscopy, and X‐ray diffraction. The estimation of corrosion behavior was performed by potentiodynamic and alternating current impedance test. The experimental results indicated that the as‐sputtered coating had quite uniform thickness and well bonded to the substrate. The HA film on the Ti‐35Nb‐xHf alloys exhibited a better electrochemical behavior than bared Ti‐35Nb‐xHf alloys in the passive region. The high capacity behavior (constant phase element) was observed for HA‐coated Ti‐35Nb‐15Hf alloy, and the polarization resistance (Rp) of HA‐coated Ti‐35Nb‐xHf alloys was higher than that of uncoated Ti‐35Nb‐xHf alloys. Copyright © 2012 John Wiley & Sons, Ltd.
Combined SIMS‐SPM instrument for high sensitivity and high‐resolution elemental 3D analysis
Authors: Wirtz Tom , Fleming Yves , Gysin Urs , Glatzel Thilo , Wegmann Urs , Meyer Ernst , Maier Urs , Rychen Jörg
Published: April 2012

State‐of‐the‐art secondary ion mass spectrometry (SIMS) instruments allow producing 3D chemical mappings with excellent sensitivity and spatial resolution. Several important artifacts, however, arise from the fact that SIMS 3D mapping does not take into account the surface topography of the sample. The traditional 3D reconstruction assumes that the initial sample surface is flat and the analyzed volume is cuboid. The produced 3D images are thus affected by a more or less important uncertainty on the depth scale and can be distorted. The situation becomes even more complicated as the topography changes during the ion bombardment. In order to correct these artifacts, we have integrated a specially developed scanning probe microscopy system into the analysis chamber of the Cameca NanoSIMS 50 at the CRP‐GL. This system includes a new high‐precision sample stage, a scanner with a range of 100 µm in x and y and a dedicated SPM head which can be operated in the atomic force microscopy mode. Topographical information gained from scanning probe measurements taken before, during and after SIMS analysis as well as the SIMS data are automatically compiled into an accurate 3D reconstruction using the software ‘SARINA’, which was developed for this first combined SIMS‐SPM instrument. Copyright © 2012 John Wiley & Sons, Ltd.
Strain‐Rate‐Dependent Flow Stress and Failure of an Mg‐PSZ Reinforced TRIP Matrix Composite Produced by Spark Plasma Sintering
Authors: Decker Sabine , Krüger Lutz , Richter Sarah , Martin Stefan , Martin Ulrich
Published: April 2012

A composite consisting of 5 vol% MgO‐partially stabilized ZrO2 particles (Mg‐PSZ) and a TRIP‐steel‐matrix (CrNiMn steel; transformation induced plasticity) was produced through Spark Plasma Sintering. The processed material was tested under compression at various nominal strain rates (4 × 10−4 s−1; 10−3 s−1; 1 s−1, 102 s−1). Both, the pure steel and the composite showed a considerable plasticity and high strength due to the very fine grained steel matrix. The addition of 5 vol% ceramic particles led to a rise in the offset yield strength of 60 MPa till 90 MPa according to the applied strain rate. Up to a strain rate of 1 s−1, no change in offset yield strength was measured. A strain‐rate of 100 s−1 leads to a rise in the offset yield strength of approx. 100 MPa. Both, the ceramic and an increase in the strain rate implicate to an early generation of microdeterioration. Limited by the interfacial strength of steel and Mg‐PSZ, failure occurs early at the interfaces, which is shown in a decrease in the work hardening. During the compression, especially at higher strain‐rates, adiabatic heating occurred and counteracted to the martensitic transformation.