bluuebunny/crossref_metadata_2025 huggingface dataset:
Rigless Exploration Well Testing Experience in Algeria
Authors: Hellal Cherif , Nassim Yasmine , Bakici Ali M.
Published: March 2008

The need to meet ambitious exploration and production targets has resulted in a rapid increase in drilling activity in Algeria, causing a shortage of drilling rigs in the country. Moreover, drillstem testing of exploration wells was consuming as much rig time as drilling. Consequently, Sonatrach (SH)—Algeria's national oil company—searched alternative strategies to maximize use of the existing rig fleet. One of them was to do well testing without a rig, hence freeing up rig time to accelerate exploration drilling.

A rigless well testing candidate was selected for the pilot project, first for Sonatrach, from a seven-well exploration campaign. The objectives of the pilot project were to assess rigless testing viability for exploration wells and enable SH to gain sufficient knowledge, skill, and experience to implement the same strategy in subsequent wells.

The project started with the detailed design phase, including preparation of well completion and testing programs for the operations, identifying and sourcing of equipment and material, and applying for permits to operate in a remote location without a rig. The project was implemented and managed by Sonatrach, with Schlumberger providing operations support and well testing services. On completion of the first rigless testing operation, a postmortem was conducted to evaluate project implementation, highlight problem areas, and capture lessons learnt. The results confirmed the rigless well testing option to be technically viable and a practical solution for freeing up rig time, especially in drillstem test (DST) applications involving three or more zones with associated cost savings. The decision was made to continue testing multilayer reservoirs without a drilling rig, taking into consideration the lessons learned from the first operation.

A list of recommendations was prepared based on procedures followed during this test, and also serves as a guideline for similar projects.
Unconventional Reservoir Modeling of a Gas Field in the Nile Delta of Egypt
Authors: Daoud Ahmed , Hegazy Osama , Hazem Yasser , Lotfy Mohamed , Youssef Samir , Bustami Sami Salah , El Hawary Anas
Published: March 2008

Gas reservoirs in the Nile Delta of Egypt are characterized vertically by its thin beds of sands and shale and laterally by severe variations in facies. These challenges in the static modeling have a strong impact in the dynamic modeling which can be summarized in the following points. First, the vertical sequence of sands and shale leads to the difficulty in detecting a single gas-water contact in the field. Second, the vertical heterogeneity leads to the use of fine gridding especially in the vertical direction to accurately simulate the fluid flow in the reservoir. Third, the lateral variation in facies forces to use different saturation functions at different parts of the reservoir.

The dynamic behavior of pressure and production performance from few wells (total seven wells) producing from this field show severe vertical discrepancy in pressure, gas and water production. This adds another challenge in the dynamic modeling and leads to dividing the field into three main reservoirs that are completely isolated with each has different reservoir and production characters.

Due to these challenges, we developed an unconventional approach to model this field and estimate its gas in place that honors both static and dynamic data. First, we used the concept of initialization by enumeration instead of the conventional approach of initialization by equilibration that requires accurate detection of gas-water contact. The initial pressures are obtained from MDT (Modular Dynamic Tester) data and the water saturation are obtained from the petrophysical analysis in initial wells and populated in the reservoir to honor the seismic and the production data. Second, we used low vertical permeability to simulate the vertical variations in sand-shale sequence. This also helps in reducing the severity of the phases being not in equilibrium due to the initialization by enumeration. Third, we used fine gridding to capture the heterogeneous variation in property. To reduce the CPU time for running one single fine grid model, we divided it into three different models each represent one reservoir with running each model separately. Both production and pressure data confirms that these reservoirs are completely isolated and no wells are producing commingled from these reservoirs thus separating them will not have any effect on its performance.

This work summarizes the workflow we developed in the dynamic modeling of this field, the history match approach we used to calibrate the model and finally the suggested optimum development plan to increase its reserves.
Enhancement of Gas Management for Flaring Reduction in KOC (West Kuwait)
Authors: Al-Kandari Ali , Ray Siddhartha
Published: March 2008

Reduction of gas flaring while sustaining the oil production target of 500 MBOPD from the West Kuwait field of KOC is a challenge. There are some reliability issues within the existing set up of West Kuwait oil & gas processing facilities in term of gas and condensate management which sometimes causes very high flaring. Moreover high flaring is also triggered whenever there is any problem occurs in downstream units in the Refinery.

Presently the average flaring from West Kuwait field is very high and reaches up to 30% of the total gas production. KOC has developed road map for gradual reduction of gas flaring to achieve 1% flaring and initiated several short term and long term initiatives to improve reliability & availability of the gas processing facilities and gas distribution network.
Looking Back at the Future: Why Hillarycare Failed
Authors: Navarro Vicente
Published: March 2008

The current Democratic Party candidates for U.S. president, including Hillary Rodham Clinton, have committed themselves to establishing universal health care that will guarantee access to care in time of need, a basic human right still denied in the United States. This commitment is partly a response to the U.S. population's high levels of dissatisfaction (now at unprecedented levels) with the way health care is funded and organized. The article analyzes why a similar commitment by President Bill Clinton in 1992 failed, and challenges some of the main explanations for that failure put forward by protagonists of the White House health care reform task force (chaired by Hillary Clinton). The author emphasizes that the primary reason for the failure was the lack of political will to confront major players in medical care funding, especially the insurance companies and large employers. He postulates that unless such political will exists and unless the system of funding electoral campaigns undergoes major reform—reducing or eliminating the power of financial and economic lobbies in the political process—the United States will not have universal health care. It is a worrisome sign that these lobbies are financing the campaigns of many of today's presidential candidates.
Myths of the High Medical Cost of Old Age and Dying
Authors: Pan Cynthia X. , Chai Emily , Farber Jeff
Published: March 2008

This report challenges commonly held beliefs about the financial and medical impact of older Americans during their last months of life. Written by physicians specializing in geriatrics, the report offers a wealth of data to refute seven misconceptions that currently influence U.S. health care policies: (1) that the growing number of older people has been the primary factor driving the rise in U.S. health care costs; (2) that as the population ages, health care costs for older Americans will necessarily overwhelm and bankrupt the nation; (3) that putting limits on health care for the very old at the end of life would save Medicare significant amounts of money; (4) that aggressive hospital care for the aged is futile and the money spent is wasted; (5) that it is common for older people to receive heroic, high-tech treatments at the end of life; (6) that Medicare covers everything that older adults need in terms of their health care; (7) that if older patients had living wills or other kinds of advance directives, it would resolve dilemmas of how aggressively to provide care.
Finnish Immigrants' Experience of Community Pharmacy Services in Spain: An Example of a Developing E.U. Issue
Authors: Väänänen Minna Heleena , Lyles Alan , Airaksinen Marja
Published: March 2008

Emigration within the European Union has increased, especially toward southern countries. This places complex demands on health care providers and community pharmacists, yet there is no E.U. policy that harmonizes health care services and pharmacy practice across member countries. This exploratory study examined immigrants' experiences with community pharmacy services. A survey of 1,000 Finnish immigrants living in Spain's Costa del Sol region was performed in 2002, using a questionnaire that included structured and open-ended questions. Respondents were mostly satisfied with pharmacy services; however, some services had higher medication safety risks—related to medication counseling (for prescription and non-prescription medicines) and obtaining some prescription drugs without a prescription—due mainly to lack of a common language. Pharmacy services in the European Union may not provide adequate assurances of medication safety for immigrants. Consistent E.U.-wide minimum pharmacy practice standards for immigrant populations are needed.
Volunteer expedition brings modern health care to Rolwaling
Authors: Etters Pepper
Published: March 2008

Himalayan Journal of Sciences Vol.4(6) 2007 p.14-15
Sol–Gel Process
Authors: Landau Miron V.
Published: March 2008

The sections in this article are

Introduction

Physico‐Chemical Basis and Principles of Sol–Gel Processing for the Preparation of Porous Solids

Activation of Sol–Gel Precursors

Polycondensation

Gelation/Aging/Washing

Gel Drying/Desolvation

Stabilization of Xerogels and Aerogels

Application of Sol–Gel Processing for the Preparation of Solid Catalysts

Bulk Catalytic‐Phase Materials: Xerogels and Aerogels

A Monometallic Catalytic Materials

a Alumina

b Chromia

c Titania

B Multimetallic Composite Catalytic Phases

a Spinel Compounds

b Hydrotalcites

c Perovskites

Catalytic Materials and Modifiers Entrapped in Porous Matrices

A Atoms or Molecular Substances Entrapped by Co‐Condensation at the Colloidization Step

a Mixed Metal Oxides Xerogels and Aerogels

b Hybrid Organic–Inorganic Interphase Catalysts

B Molecular Substances Adsorbed or Entrapped at the Gelation Step

a Functionalized Organic Catalysts

b Inorganic Molecular Catalysts

c Enzymes

C Nanoparticles of Catalytic Phases Entrapped in Inorganic Porous Matrices

a Metals

b Other Inorganics

c Functionalized and Templating Polymers

Catalytic Coatings, Films, and Membranes

Monolith Coating

Microreactors

Thin, Nanometric Catalytic Films

Catalytic Membranes
Preparation and adsorption properties of polyethylenimine containing fibrous adsorbent for carbon dioxide capture
Authors: Li Peiyuan , Zhang Sujuan , Chen Shuixia , Zhang Qikun , Pan Junjian , Ge Bingqing
Published: March 2008

We successfully prepared a novel fibrous adsorbent for carbon dioxide (CO2) capture by coating polyethylenimine (PEI) on a glass fiber matrix, using epoxy resin (EP) as crosslinking agent. The physicochemical properties of the fibrous adsorbents were characterized in terms of Fourier transform infrared spectrometry and thermogravimetric analysis. Factors that affected the adsorption capacity of the fibrous adsorbent were studied, including the crosslinking agent dosage, coating weight, moisture, adsorption temperature, and CO2 concentration of the simulated flue gas. The experimental results indicate that the properly crosslinked fibrous adsorbent had a high thermal stability at about 280°C. With a PEI/EP ratio of 10:1, a maximum adsorption capacity of 276.96 mg of CO2/g of PEI was obtained at 30°C. Moisture had a promoting influence on the adsorption of CO2 from flue gas. The CO2 adsorption capacity of the fibrous adsorbent in the presence of moisture could be 19 times higher than that in dry conditions. The fibrous adsorbent could be completely regenerated at 120°C. The CO2 adsorption capacity of the regenerated fibrous adsorbent was almost the same as that of the fresh adsorbent. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008
Lignin and ethylcellulose as polymers in controlled release formulations of urea
Authors: Fernández‐Pérez M. , Garrido‐Herrera F. J. , González‐Pradas E. , Villafranca‐Sánchez M. , Flores‐Céspedes F.
Published: March 2008

Lignin and ethylcellulose (EC) have been used for the preparation of controlled release (CR) formulations of urea. The lignin matrixes were prepared by mixing the urea with kraft lignin (UL) under melting conditions. They were also crushed and sieved to obtain granules of size between 0.5–1, 1–2, 2–3 and 3–5 mm. The coated urea granules were produced in a Wurster‐type fluidized‐bed equipment, using an ethanolic solution of EC on two different polymer levels. Having researched the encapsulation efficiency (EE) and the homogeneity of the CR formulations, kinetic‐release experiments were carried out in water. A high EE was reached, it oscillated between 95.12% for the system coated with 20% of EC and 97.18% for the 1 mm < d < 2 mm UL system. The rate of urea release from CR granules diminished in all cases in relation to nonformulated urea, being the latter completely dissolved in less than 0.5 h, but it took at least 48 h to release the 90% of urea from the EC coated formulations. Using an empirical equation, the time taken for 50% of the active ingredient to be released into water (T50) was calculated. From the analysis of the T50 values, we can deduce that the release rate of urea can be controlled mainly by selecting the granule size for lignin CR systems and changing the thickness of the coating film for EC coated granules. The variation order of T50 values, UL (0.5 mm < d < 1.0 mm) < UL (1.0 mm < d < 2.0 mm) < UL (2.0 mm < d < 3.0 mm) < UL (3.0 mm < d < 5.0 mm) < UEC10 < UEC20, showed that the presence of EC in formulations retarded the release of urea in relation to those prepared with lignin. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008
Effects of rubber curing ingredients and phenolic‐resin on mechanical, thermal, and morphological characteristics of rubber/phenolic‐resin blends
Authors: Derakhshandeh Babak , Shojaei Akbar , Faghihi Morteza
Published: March 2008

This article examines the physical and mechanical characteristics of mixtures of two different synthetic rubbers, namely styrene‐butadiene rubber (SBR) and nitril‐butadiene rubber (NBR), with novolac type phenolic‐resin (PH). According to Taguchi experimental design method, it is shown that the addition of PH increases the crosslinking density of rubber phase probably due to its curative effects. Thermal analysis of the blends indicates that, contrary to NBR/PH blend, thermal stability of SBR/PH blend is dependent on sulfur content due to predominant polysulfidic crosslinks formed in SBR. Slight shift in glass‐transition temperature (Tg) of pure SBR and NBR vulcanizates by the addition of PH suggests that both SBR/PH and NBR/PH are incompatible blends with a partially soluble PH in the rubber phase. Two‐phase morphology of the mixtures is also evidenced by scanning electron microscopy. Correlation of the rubber/PH modulus versus PH concentration by Halpin‐Tsai model shows a deviation from the model. Presence of PH in the rubber phase is thought to vary the mechanical properties of the rubber phase by changing both the crosslinking density and rigidity of the molecular network of the rubber, leading to misuse of modulus of pure rubber in Halpin‐Tsai equation. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008
Seven‐week embryo with gastroschisis, multiple anomalies, and physiologic hernia suggests early onset of gastroschisis
Authors: Byrne Janice L. B. , Feldkamp Marcia L.
Published: March 2008

Gastroschisis is an increasingly common birth defect involving the development of the ventral body wall. Extrusion of the bowel is usually paraumbilical, usually right sided, and associated anomalies are less common than in omphalocele. Recently, hypotheses regarding the timing of the typical gastroschisis defect have come into question. Unlike previous theories, Feldkamp et al. (2007) has postulated that gastroschisis occurs much earlier in development, before abdominal wall closure, which is completed by about 35 days postconception. We present a case of a spontaneously aborted dysmorphic embryo which exhibits features of the normal physiologic herniation of the midgut as well as gastrochisis. The co‐existence of the abdominal wall defect in this abnormal embryo with the physiologic hernia supports the early development of this defect and also illustrates the causal heterogeneity of gastroschisis. Birth Defects Research (Part A), 2008. © 2008 Wiley‐Liss, Inc.
Temperature effects on the aerobic metabolism of glycogen‐accumulating organisms
Authors: Lopez‐Vazquez Carlos M. , Song Young‐Il , Hooijmans Christine M. , Brdjanovic Damir , Moussa Moustafa S. , Gijzen Huub J. , van Loosdrecht Mark C.M.
Published: March 2008

Short‐term temperature effects on the aerobic metabolism of glycogen‐accumulating organisms (GAO) were investigated within a temperature range from 10 to 40°C. Candidatus Competibacter Phosphatis, known GAO, were the dominant microorganisms in the enriched culture comprising 93 ± 1% of total bacterial population as indicated by fluorescence in situ hybridization (FISH) analysis. Between 10 and 30°C, the aerobic stoichiometry of GAO was insensitive to temperature changes. Around 30°C, the optimal temperature for most of the aerobic kinetic rates was found. At temperatures higher than 30°C, a decrease on the aerobic stoichiometric yields combined with an increase on the aerobic maintenance requirements were observed. An optimal overall temperature for both anaerobic and aerobic metabolisms of GAO appears to be found around 30°C. Furthermore, within a temperature range (10–30°C) that covers the operating temperature range of most of domestic wastewater treatment systems, GAOs aerobic kinetic rates exhibited a medium degree of dependency on temperature (θ = 1.046–1.090) comparable to that of phosphorus accumulating organisms (PAO). We conclude that GAO do not have metabolic advantages over PAO concerning the effects of temperature on their aerobic metabolism, and competitive advantages are due to anaerobic processes. Biotechnol. Bioeng. 2008;101: 295–306. © 2008 Wiley Periodicals, Inc.
Syn, anti, and finally both conformations of cyclic AMP are involved in the CRP‐dependent transcription initiation mechanism in E. coli lac operon
Authors: Tutar Yusuf
Published: March 2008

The cyclic AMP receptor protein (CRP) of Escherichia coli regulates the activity of more than 150 genes. Allosteric changes in CRP structure accompanied by cAMP binding, initiate transcription through protein binding to specific DNA sequences. Initially, researchers proposed a two‐site cAMP‐binding model for CRP‐dependent transcription activation since biophysical methods showed two transitions during titration experiments. Three conformational states were considered; apo‐CRP, CRP:(cAMP)1 and CRP:(cAMP)2, and CRP:(cAMP)1 was proposed as the active form in this initial model. X‐ray data indicated an anti conformation and in contrast NMR experiments suggested a syn conformation for bound cAMPs. For years this paradigm about ligand conformation has been ambiguous. When CRP was crystallized with four bound cAMP in the last decade, two cAMPs were assigned to syn and the other two to anti conformations. Again three conformational states were suggested; apo‐CRP, CRP:(cAMP)2, and CRP:(cAMP)4. This new structure changed the view of CRP allosteric activation from a two‐site model to a four‐site model in the literature and the new model has been supported by biochemical and genetic data so far. According to the accepted model, binding of the first two cAMP molecules displays positive cooperativity, however, binding of the last two cAMP molecules shows negative cooperativity. This resolved the conflict between dynamic and static experimental observations. However, this new model cannot explain the initiation mechanism as previously proposed because functionally active CRP has only one cAMP equivalent. Gene regulation and transcription factors are involved in regulating both prokaryotic and eukaryotic metabolism. Although gene regulation and expression are much more complex in eukaryotes, CRP‐mediated transcription initiation is a model of general interest to life sciences and medicine. Therefore, the aim of this review is to summarize recent works and developments on the cAMP‐dependent CRP activation mechanism in E. coli. Copyright © 2008 John Wiley & Sons, Ltd.
Streptomyces Phospholipase D Mutants with Altered Substrate Specificity Capable of Phosphatidylinositol Synthesis
Authors: Masayama Atsushi , Takahashi Tetsuya , Tsukada Kaori , Nishikawa Seigo , Takahashi Rie , Adachi Masaatsu , Koga Kazushi , Suzuki Atsuo , Yamane Takashi , Nakano Hideo , Iwasaki Yugo
Published: March 2008

The substrate specificity of a phospholipase D (PLD) from Streptomyces antibioticus was altered by site‐directed saturation mutagenesis, so that it was able to synthesize phosphatidylinositol (PI). Mutations were introduced in the pld gene at the positions corresponding to three amino acid residues that might be involved in substrate recognition, and the mutated genes were expressed in Escherichia coli BL21 (DE3). High‐throughput screening of approximately 10 000 colonies for PI‐synthesizing activity identified 25 PI‐synthesizing mutant PLDs. One of these mutant enzymes was chosen for further analysis. The structure of the PI synthesized with the mutant enzyme was analyzed by HPLC‐MS and NMR. It was found that the mutant enzyme generated a mixture of structural isomers of PIs with the phosphatidyl groups connected at different positions of the inositol ring. The phosphatidylcholine‐hydrolyzing activity of the mutant PLD was much lower than that of the wild‐type enzyme. The mutant enzyme was able to transphosphatidylate various cyclohexanols with a preference for bulkier compounds. This is the first example of alteration of the substrate specificity of PLD and of PI synthesis by Streptomyces PLD.
A Sensitive and Selective Near‐Infrared Fluorescent Probe for Mercuric Ions and Its Biological Imaging Applications
Authors: Tang Bo , Cui Li Juan , Xu Ke Hua , Tong Li Li , Yang Gui Wen , An Li Guo
Published: March 2008

A new mercury(II) near‐infrared region fluorescent probe 3,9‐dithia‐6‐monoazaundecane‐tricarbocyanine has been designed and synthesized. It consists of two functional moieties: the tricarbocyanine performs as the near‐infrared region fluorophore, and the 3,9‐dithia‐6‐monoazaundecane acts as the selected binding site for metal ions. The near‐IR excitation and emission profiles of the probe can minimize cell and tissue damage and avoid native fluorescence from natural cellular species. It exhibits fluorescence increase upon the binding of the Hg2+ based on the inhibition of the photoinduced electron transfer quenching mechanism. Excellent sensitivity and selectivity for mercuric ions are observed with this probe. The value of the system is demonstrated by its use in monitoring the real‐time uptake of Hg2+ within HepG2 cells and five day old zebrafish. The synthesis and remarkable properties of it help to extend the development of metal ions fluorescent probes for biological applications.
Understanding NMR J‐couplings by the theory of polarization propagators
Authors: Aucar Gustavo Adolfo
Published: March 2008

Propagators are powerful theoretical tools that were first developed within the nonrelativistic (NR) regime and were applied to calculate atomic and molecular properties more than 30 years ago. The recent relativistic generalization of polarization propagators has shown that these propagators play a special role in describing the quantum origin of any molecular property and the broad implication of their particular definition. In this article, we give a general overview on fundamentals and applications of polarization propagators to one of the most important NMR spectroscopic parameters, the nuclear spin coupling mediated by the electronic system within both regimes: relativistic and NR. This presentation is given in a level that can be followed with a basic knowledge of quantum mechanics. Our aim is to show what one can learn about molecular electronic configurations, and also the transmission and influence of magnetic perturbations on electronic systems from basic theoretical elements like molecular orbitals, electronic excitation energies, coupling pathways, entanglement, etc. by using propagators. We shall use i) semiempirical models and ii) ab initio calculations at different levels of approach. We give a deep insight on the electronic origin of the Karplus' rule, the sign of indirect nuclear spin couplings, unusually large long‐range couplings, cooperativity effects, relativistic effects, and the origin of diamagnetism. Some of these analysis are based on previous publications, and some others are presented here for the first ime. © 2008 Wiley Periodicals, Inc. Concepts Magn Reson Part A 32A: 88–116, 2008.
Modulation of dendritic spine remodeling in the motor cortex following spinal cord injury: Effects of environmental enrichment and combinatorial treatment with transplants and neurotrophin‐3
Authors: Kim Byung G. , Dai Hai‐Ning , McAtee Marietta , Bregman Barbara S.
Published: March 2008

Incomplete spinal cord injury (SCI) elicits structural plasticity of the spared motor system, including the motor cortex, which may underlie some of the spontaneous recovery of motor function seen after injury. Promoting structural plasticity may become an important component of future strategies to improve functional outcomes. We have recently observed dynamic changes in the density and morphology of dendritic spines in the motor cortex following SCI. The present study sought to test whether SCI‐induced changes in spine density and morphology could be modulated by potential strategies to enhance functional recovery. We examined the effects of enriched environment, transplants, and neurotrophin‐3 on the plasticity of synaptic structures in the motor cortex following SCI. Housing rats in an enriched environment increased spine density in the motor cortex regardless of injury. SCI led to a more slender and elongated spine morphology. Enriched housing mitigated the SCI‐induced morphological alterations, suggesting that the environmental modification facilitates maturation of synaptic structures. Transplantation of embryonic spinal cord tissue and delivery of neurotrophin‐3 at the injury site further increased spine density when combined with enriched housing. This combinatorial treatment completely abolished the injury‐induced changes, restoring a preinjury pattern of spine morphology. These results demonstrated that remodeling of dendritic spines in the motor cortex after SCI can be modulated by enriched housing, and the combinatorial treatment with embryonic transplants and neurotrophin‐3 can potentiate the effects of enriched housing. We suggest that synaptic remodeling processes in the motor cortex can be targeted for an intervention to enhance functional recovery after SCI. J. Comp. Neurol. 507:473–486, 2008. © 2008 Wiley‐Liss, Inc.
Methyloxy Substituted Heteroleptic Bis(phthalocyaninato) Yttrium Complexes: Density Functional Calculations
Authors: Zhang Yuexing , Cai Xue , Qi Dongdong , Yao Ping , Bian Yongzhong , Jiang Jianzhuang
Published: March 2008

The effects of alkyloxy substituents attached to one phthalocyanine ligand of three heteroleptic bis(phthalocyaninato) yttrium complexes Y(Pc)[Pc(α‐OCH3)4] (1), Y(Pc)[Pc(α‐OCH3)8] (2), and Y(Pc)[Pc(β‐OCH3)8] (3), as well as their reduction products {Y(Pc)[Pc(α‐OCH3)4]}− (4), {Y(Pc)[Pc(α‐OCH3)8]}− (5), and {Y(Pc)[Pc(β‐OCH3)8]}− (6) [H2Pc(α‐OCH3)4=1,8,15,22‐tetrakis(methyloxy)phthalocyanine; H2Pc(α‐OCH3)8=1,4,8,11,15,18,22,25‐octakis(methyloxy)phthalocyanine; H2Pc(β‐OCH3)8=2,3,9,10,16,17,23,24‐octakis(methyloxy)phthalocyanine] are studied by DFT calculations. Good consistency is found between the calculated results and experimental data for the electronic absorption, IR, and Raman spectra of 1 and 3. Introduction of electron‐donating methyloxy groups on one phthalocyanine ring of the heteroleptic double‐deckers induces structural deformation in both phthalocyanine ligands, electron transfer between the two phthalocyanine rings, changes in orbital energy and composition, shift of electronic absorption bands, and different vibrational modes of the unsubstituted and substituted phthalocyanine ligands in the IR and Raman spectra in comparison with the unsubstituted homoleptic counterpart Y(Pc)2. The calculations reveal that incorporation of methyloxy substituents at the nonperipheral positions has greater influence on the structure and spectroscopic properties of bis(phthalocyaninato) yttrium double‐deckers than at the peripheral positions, which increases with increasing number of substituents. Nevertheless, the substituent effect of alkyloxy substituents at one phthalocyanine ligand of the double‐decker on the unsubstituted phthalocyanine ring and on the whole molecule and the importance of the position and number of alkyloxy substituents are discussed. In addition, the effect of reducing 1–3 to 4–6 on the structure and spectroscopic properties of the bis(phthalocyaninato) yttrium compounds is also discussed. This systemic DFT study is not only useful for understanding the structure and spectroscopic properties of bis(phthalocyaninato) rare earth metal complexes but also helpful in designing and preparing double‐deckers with tunable structure and properties.
Overcoming Kinetic Limitations of Electron Injection in the Dye Solar Cell via Coadsorption and FRET
Authors: Siegers Conrad , Würfel Uli , Zistler Markus , Gores Heiner , Hohl‐Ebinger Jochen , Hinsch Andreas , Haag Rainer
Published: March 2008

A new, extremely simple concept for the use of energy transfer as a means to the enhancement of light absorption and current generation in the dye solar cell (DSC) is presented. This model study is based upon a carboxy‐functionalized 4‐aminonaphthalimide dye (carboxy‐fluorol) as donor, and (NBu4)2[Ru(dcbpy)2(NCS)2] (N719) as acceptor chromophores. A set of three different devices is assembled containing either exclusively carboxy‐fluorol or N719, or a mixture of both. This set of transparent devices is characterized via IV‐measurements under AM1.5G and monochromatic illumination and their light‐harvesting and external quantum efficiencies (LHE and EQE, respectively) are determined as well. It is shown that the device containing only the donor chromophore has a marginal power conversion efficiency, thus indicating that carboxy‐fluorol is a poor sensitizer for the DSC. Cyclovoltametric measurements show that the poor sensitization ability arises from the kinetic inhibition of electron injection into the TiO2 conduction band. Comparing the spectral properties of the DSCs assembled presently, however, demonstrates that light absorbed by carboxy‐fluorol is almost quantitatively contributing to the photocurrent if N719 is present as an additional sensitizer. In this case, N719 acts as a catalyst for the sensitization of TiO2 by carboxy‐fluorol in addition to being a photosensitizer. Evaluation of the maximum output power under blue illumination shows that the introduction of an energy‐donor moiety via coadsorption, leads to a significant increase in the monochromatic maximum output power. This result demonstrates that energy transfer between coadsorbed chromophores could be useful for the generation of current in dye‐sensitized solar cells.
General Zinc‐Catalyzed Intermolecular Hydroamination of Terminal Alkynes
Authors: Alex Karolin , Tillack Annegret , Schwarz Nicolle , Beller Matthias
Published: March 2008

Catalytic hydroaminations are one of the most sustainable CN bond‐forming processes as a result of 100 % atom economy and the availability of substrates. Here, it is shown that the intermolecular hydroamination of terminal alkynes with anilines proceeds smoothly in the presence of catalytic amounts of zinc triflate, an easily available and inexpensive zinc salt. Amination and subsequent reduction with NaBH3CN gives a variety of secondary and tertiary amines in up to 99 % yield and with over 99 % Markovnikov regioselectivity. Moreover, difficult functional groups such as nitro and cyano substituents are tolerated by the homogeneous catalyst.
Vagal tone and temperament as predictors of emotion regulation strategies in young children
Authors: Santucci Aimee K. , Silk Jennifer S. , Shaw Daniel S. , Gentzler Amy , Fox Nathan A. , Kovacs Maria
Published: March 2008

We examined indices of vagal tone and two dimensions of temperament as predictors of emotion regulation (ER) strategies among children (n = 54, ages 4–7) of mothers with a history of depression and control mothers. Children's (adaptive and maladaptive) ER strategies were observed during a delay of gratification (frustration) task in one protocol. In a separate and independent protocol, vagal tone was assessed during rest (baseline), during emotional challenge (reactivity) and post‐challenge (recovery) and mothers rated their children's temperament (effortful control, negative affectivity). Lower vagal recovery and higher negative affectivity were associated with maladaptive ER responses to frustration. However, vagal tone and temperament were not associated with adaptive ER responses and maternal depression status did not affect the results. Overall, the findings are consistent with models of vagal tone and temperament as markers of individual differences in ER. © 2008 Wiley Periodicals, Inc. Dev Psychobiol 50: 205–216, 2008.
The genotoxic effect of potassium metabisulfite using chromosome aberration, sister chromatid exchange, micronucleus tests in human lymphocytes and chromosome aberration test in bone marrow cells of rats
Authors: Yavuz‐Kocaman Ayse , Rencuzogullari Eyyup , Ila Hasan Basri , Topaktas Mehmet
Published: March 2008

Potassium metabisulfite (PMB) is used as an antimicrobial substance in many kinds of foods. In the present study, the effects of PMB on chromosome aberrations (CAs), sister chromatid exchanges (SCEs), and micronucleus (MN) formation in human lymphocytes and as well as its effect on CAs in bone marrow cells of rats were investigated. The human lymphocytes were treated with 25, 50, 100, and 200 μg/ml of PMB for 24 and 48 hr. PMB was also intraperitoneally (ip) injected to the rats as a single dose of 150, 300, and 600 mg/kg body weight (b.w.) for 12 and 24 hr before sacrifice. PMB induced abnormalities such as structural and numerical (total) CAs, SCEs, and MN formations in a dose dependent manner in the lymphocytes of the 24‐ and 48‐hr treatment periods. In addition, PMB showed a cytotoxic effect by decreasing the replication index (RI), mitotic index (MI) and nuclear division index (NDI) in a dose dependent manner in human lymphocytes. The compound induced CA as well and decreased the MI in bone marrow cells of rats. It might be concluded that PMB had a high genotoxic and cytotoxic risk. Environ. Mol. Mutagen., 2008. © 2008 Wiley‐Liss, Inc.
Epigenetic gorges in fluvial landscapes
Authors: Ouimet W. B. , Whipple K. X. , Crosby B. T. , Johnson J. P. , Schildgen T. F.
Published: March 2008

Epigenetic gorges form when channels that have been laterally displaced during episodes of river blockage or aggradation incise down into bedrock spurs or side‐walls of the former valley rather than excavating unconsolidated fills and reinhabiting the buried paleovalley. Valley‐filling events that promote epigenetic gorges can be localized, such as a landslide dam or an alluvial/debris flow fan deposit at a tributary junction, or widespread, such as fluvial aggradation in response to climate change or fluctuating base‐level. The formation of epigenetic gorges depends upon the competition between the resistance to transport, strength and roughness of valley‐filling sediments and a river's ability to sculpt and incise bedrock. The former affects the location and lateral mobility of a channel incising into valley‐filling deposits; the latter determines rates of bedrock incision should the path of the incising channel intersect with bedrock that is not the paleovalley bottom. Epigenetic gorge incision, by definition, post‐dates the incision that originally cut the valley. Strath terraces and sculpted bedrock walls that form in relation to epigenetic gorges should not be used to directly infer river incision induced by tectonic activity or climate variability. Rather, they are indicative of the variability of short‐term bedrock river incision and autogenic dynamics of actively incising fluvial landscapes. The rate of bedrock incision associated with an epigenetic gorge can be very high (>1 cm/yr), typically orders of magnitude higher than both short‐ and long‐term landscape denudation rates. In the context of bedrock river incision and landscape evolution, epigenetic gorges force rivers to incise more bedrock, slowing long‐term incision and delaying the adjustment of rivers to regional tectonic and climatic forcing. Copyright © 2008 John Wiley & Sons, Ltd.
Predictors of discharge destination for 234 patients admitted to a combined geriatric medicine/old age psychiatry unit
Authors: Astell Arlene J. , Clark Stella A. , Hartley Nicholas T.
Published: March 2008

Objective

To examine the factors that predicted discharge destinations of all patients admitted to a combined geriatric medicine/old age psychiatry unit over a 4‐year period.

Method

Data regarding discharge destinations, active medical problems and demographics of 234 patients admitted to the unit were analysed using non‐parametric bivariate correlation and logistic regression analysis.

Results

Independence for activities of daily living (ADL) was the key predictor of discharge destination. In combination with the number of active medical problems and dementia severity, independence for activities of daily living (ADL) defined three distinct groups: patients discharged home, patients discharged to a nursing home and patients who died in hospital.

Conclusions

The findings suggest that although the key precipitants of admission to joint geriatric medicine/old age psychiatric care are behavioural and psychiatric, these factors are intercurrent, can be successfully treated in an appropriate environment, and do not play a major role in determining discharge outcome. These findings confirm the broad spectrum of need among older patients admitted to acute medical care identified in previous research and support the case for specialised joint provision to address their physical and mental health needs. Copyright © 2008 John Wiley & Sons, Ltd.
Developmental expression and differential cellular localization of obscurin and obscurin‐associated kinase in cardiac muscle cells
Authors: Borisov Andrei B. , Raeker Maide Ö. , Russell Mark W.
Published: March 2008

The article to which this erratum refers, J Cell Biochem 2007: 10.1002/jcb.21551, was originally published online in Wiley InterScience 27 Nov 2007. © 2008 Wiley‐Liss, Inc.
Biofiltration of toluene in the absence and the presence of ethyl acetate under continuous and intermittent loading
Authors: Álvarez‐Hornos F Javier , Gabaldón Carmen , Martínez‐Soria Vicente , Marzal Paula , Penya‐roja Josep‐Manuel
Published: March 2008

BACKGROUND: Two peat biofilters were used for the removal of toluene from air for one year. One biofilter was fed with pure toluene and the other received 1:1 (by weight) ethyl acetate:toluene mixture.

RESULTS: The biofilters were operated under continuous loading: the toluene inlet load (IL) at which 80% removal occurred was 116 g m−3 h−1 at 57 s gas residence time. Maximum elimination capacity of 360 g m−3 h−1 was obtained at an IL of 745 g m−3 h−1. The elimination of toluene was inhibited by the presence of ethyl acetate. Intermittent loading, with pollutants supplied for 16 h/day, 5 days/week, did not significantly affect the removal efficiency (RE). Biomass was fully activated in 2 h after night closures, but 6 h were required to recover RE after weekend closures. Live cell density remained relatively constant over the operational period, while the dead cell fraction increased. Finally, a 15 day starvation period was applied and operation then re‐started. Performance was restored with similar re‐acclimatization period to that after weekend closures, and a reduction in dead cell fraction was observed.

CONCLUSION: This study demonstrates the capacity of the system to handle intermittent loading conditions that are common in industrial practices, including long‐term starvation. Copyright © 2008 Society of Chemical Industry
Transalkylation of diisopropylbenzene with benzene over SAPO‐5 catalyst: a kinetic study
Authors: Kondamudi Kishore , Upadhyayula Sreedevi
Published: March 2008

BACKGROUND: The objective of this work was to improve the selective yield of cumene by transalkylating the (diisopropylbenzene) DIPB formed in benzene alkylation with propene and select the optimum process conditions for this transalkylation over SAPO‐5 catalyst.

RESULTS: Higher benzene/DIPB mole ratios and higher space velocities were found to give better cumene selectivity. An apparent activation energy value of 130.2 kJ mol−1 was obtained for the reaction with SAPO‐5 as the catalyst.

CONCLUSION: SAPO‐5 shows promise when loaded with a small quantity of platinum (0.005% w/w) in the transalkylation of commercial DIPB (cumene column bottoms) with benzene. The kinetic investigations help in selecting optimum process operating conditions for maximizing the cumene yields in transalkylation of commercial DIPB over SAPO‐5. Copyright © 2008 Society of Chemical Industry
Zeolite synthesis from paper sludge ash with addition of diatomite
Authors: Wajima Takaaki , Shimizu Tomoe , Ikegami Yasuyuki
Published: March 2008

BACKGROUND: This study aimed to investigate the synthesis of zeolites from paper sludge ash (PSA) with added diatomite to remove both NH4+ and PO43− for water purification. The PSA had low Si and significant Ca contents. Four types of diatomite: white (T‐W) and brown (T‐B) from deposits of marine origin in Takanosu, and white (S‐W) and gray (S‐G) from lacustrine deposits in Shonai, were added to NaOH solution to increase the Si content and thereby synthesize zeolites with high cation exchange capacity (CEC).

RESULTS: The order of the amounts of Si extracted from the diatomite to the alkali solution was S‐W > T‐W = T‐B > S‐G, which correlates with the amorphous SiO2 content of diatomite. The original ash without addition of diatomite yielded hydroxysodalite with CEC of about 1.0 mmol g−1. For all samples, the addition of diatomite to the solution yielded zeolite‐P with a higher CEC, but the addition of excess Si inhibited the synthesis of zeolite‐P, and the CEC of the product was low. A product with high CEC including zeolite‐P was obtained in a solution with around 500 mmol L−1 of Si concentration, and had the ability to remove both NH4+ and PO43−.

CONCLUSION: Diatomite has the potential for used as an additive for the synthesis of high CEC zeolite from PSA. The product with zeolite‐P exhibited relatively high CEC, capacity for NH4+ uptake, and the ability to remove PO43− by precipitation, which is preferable for water purification applications. Copyright © 2008 Society of Chemical Industry
Application of Cavitational reactors for cell disruption for recovery of intracellular enzymes
Authors: Gogate Parag R. , Pandit Aniruddha B.
Published: March 2008

Cavitational reactors are a novel and promising form of multiphase reactors, based on the principle of release of a large amount of energy owing to the violent collapse of cavities. This paper presents an overview of cavitational reactors in the specific area of cell disruption for the recovery of intracellular enzymes, in terms of the basic aspects, different reactor configurations including recommendations for optimum operating parameters and review of earlier literature reports. It has been observed that under optimized conditions, cavitational reactors can reduce the energy requirement for the release of intracellular enzymes by an order of magnitude compared with conventional cell disruption techniques used on an industrial scale. However, problems associated with efficient scale‐up and operation at conditions required for industrial scale, hamper the successful utilization of cavitational reactors at this time. Some recommendations have been made for the future work required to realize the dream of harnessing the spectacular effects of cavitation phenomena. Copyright © 2008 Society of Chemical Industry
From large analogical instruments to small digital black boxes: 40 years of progress in mass spectrometry and its role in proteomics. Part I 1965–1984
Authors: Gelpí Emilio
Published: March 2008

As the title implies, the author undertakes a personal retrospective on the developments that since 1965 have shaped MS and taken it from a position of simply playing a role in protein chemistry to becoming an indispensable tool in proteomics, all in the past 40‐year span. The article reviews the MS timeline of events, stopping at various time points where MS made significant contributions to protein chemistry or where the development of new instrumentation for MS represented a major advance for peptide and protein work. Major highlights in the field and their significance for peptide and protein characterization are covered, starting from the pioneering work carried out in the 1960s on peptide derivative formation and sequencing with instrumentation proper of that time, to later work done with triple, quad, and four‐sector instruments, and on to the more recent work on the characterization of the proteome with ion traps, time‐of‐flight (TOF) instruments, and new ionization and tagging techniques. Copyright © 2008 John Wiley & Sons, Ltd.
Assessment of areal interpolation methods for spatial analysis of SPI and EDI drought indices
Authors: Akhtari Rouhangiz , Morid Saeed , Mahdian Mohammad Hossain , Smakhtin Vladimir
Published: March 2008

Drought monitoring is an essential component of drought risk management. Drought indices—functions of precipitation showing the severity of dryness during a particular time period—are often used for monitoring purposes. These indices may only be calculated originally at a limited number of sites where observations on climate variables are available. However, what is required for monitoring is to estimate the spatial distribution of drought severity over larger areas in the form of maps. In this article, several geostatistical methods including kriging, co‐kriging and thin plate smoothing splines with and without secondary variables, as well as Thiessen polygons and weighted moving average were assessed for the derivation of maps of drought indices. The techniques are evaluated using 1‐month Standardized Precipitation Index (SPI) and Effective Drought Index (EDI) at 43 climatic stations in the Tehran province of Iran. The results indicate that although kriging is the most accurate method, weighted moving average provides a reasonable accuracy combined with the simplicity and speed of the procedure, and thus, can be recommended for operational drought monitoring system in the region. Copyright © 2008 Royal Meteorological Society