bluuebunny/crossref_metadata_2025 huggingface dataset:
Development and Validation of a Pharmacophore‐Based QSAR Model for the Prediction of CNS Activity
Authors: Gozalbes Rafael , Barbosa Frédérique , Nicolaï Eric , Horvath Dragos , Froloff Nicolas
Published: December 2008

A QSAR model for the prediction of CNS activity was developed and validated based on data from an in‐house database of “drug‐like” compounds. The model has demonstrated its applicability for novel chemical structures and its usefulness for the design of CNS‐focused compound libraries.

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A QSAR model aimed at predicting central nervous system (CNS) activity was developed based on the structure–activity relationships of compounds from an in‐house database of “drug‐like” molecules. These compounds were initially identified as “CNS‐active” or “CNS‐inactive”, and pharmacophore 3D descriptors were calculated from multiple conformations for each structure. A linear discriminant analysis (LDA) was performed on this structure–activity matrix, and this QSAR model was able to correctly classify approximately 80 % in both a learning set and a validation set. For validation purposes, the LDA model was applied to compounds for which the blood–brain barrier (BBB) penetration was known, and all of them were correctly predicted. The model was also applied to 960 other in‐house compounds for which in vitro binding tests were performed on 20 receptors known to be present at the CNS level, and a high correlation was observed between compounds predicted as CNS‐active and experimental hits. Finally, the model was also applied to a set of 700 structures with known CNS activity or inactivity randomly chosen from public sources, and more than 70 % of the compounds were correctly classified, including novel CNS chemotypes. These results demonstrate the applicability of the model to novel chemical structures and its usefulness for designing original CNS‐focused compound libraries.
Axon terminals expressing vesicular glutamate transporter VGLUT1 or VGLUT2 within the trigeminal motor nucleus of the rat: Origins and distribution patterns
Authors: Pang You‐Wang , Ge Shun‐Nan , Nakamura Kouichi C. , Li Jin‐Lian , Xiong Kang‐Hui , Kaneko Takeshi , Mizuno Noboru
Published: December 2008

Little is known about the significance of the two types of glutamatergic neurons (those expressing vesicular glutamate transporter VGLUT1 or VGLUT2) in the control of jaw movements. We thus examined the origin and distribution of axon terminals with VGLUT1 or VGLUT2 immunoreactivity within the trigeminal motor nucleus (Vm) in the rat. The Vm was divided into the dorsolateral division (Vm.dl; jaw‐closing motoneuron pool) and the ventromedial division (Vm.vm; jaw‐opening motoneuron pool). VGLUT1‐immunopositive terminals were seen within the Vm.dl only, whereas VGLUT2‐immunopositive ones were distributed to both the Vm.dl and the Vm.vm. Transection of the motor root eliminated almost all VGLUT1‐immunopositive axons in the Vm.dl, with no changes of VGLUT2 immunoreactivity in the two divisions, indicating that the VGLUT1‐ and VGLUT2‐immunopositive axons came from primary afferents in the mesencephalic trigeminal nucleus and premotor neurons for the Vm, respectively. In situ hybridization histochemistry revealed that VGLUT2 neurons were much more numerous than VGLUT1 neurons in the regions corresponding to the reported premotoneuron pool for the Vm. The results of immunofluorescence labeling combined with anterograde tract tracing further indicated that premotor neurons with VGLUT2 in the trigeminal sensory nuclei, the supratrigeminal region, and the reticular region ventral to the Vm sent axon terminals contacting trigeminal motoneurons and that some of the VGLUT1‐expressing premotor neurons in the reticular region ventral to the Vm sent axon terminals to jaw‐closing motoneurons. The present results suggested that the roles played by glutamatergic neurons in controlling jaw movements might be different between VGLUT1‐ and VGLUT2‐expressing neurons. J. Comp. Neurol. 512:595–612, 2009. © 2008 Wiley‐Liss, Inc.
Telomerization of Butadiene with Glycerol: Reaction Control through Process Engineering, Solvents, and Additives
Authors: Behr Arno , Leschinski Julia , Awungacha Colin , Simic Suzana , Knoth Tanja
Published: December 2008

Owing to the large amount of glycerol that is formed as a by‐product during biodiesel production, there have been great efforts to develop new reactions and processes based on glycerol as a renewable feedstock. One example is the telomerization of butadiene with glycerol which provides an atom‐economic route to amphiphilic molecules. The reaction is catalyzed by homogeneous palladium catalysts which necessitates efficient catalyst recycling. By employing an aqueous biphasic system, an increased selectivity towards the desired mono‐ethers was observed in the telomerization reaction. The performance of the reaction and separation and recycling of the catalyst were optimized by the addition of organic solvents as well as cyclodextrins. By adding cyclodextrins, the conversion of glycerol could be increased and the leaching of palladium could be reduced. Leaching of palladium into the organic phase could be lowered also by using 2‐octanol or 2‐propanol as additional solvents. Furthermore, the catalyst system could be stabilized by adding nitriles or phosphonium salts, and radical polymerization, which leads to fouling, could be inhibited successfully.
Natural variation in embryo mechanics: gastrulation in Xenopus laevis is highly robust to variation in tissue stiffness
Authors: von Dassow Michelangelo , Davidson Lance A.
Published: December 2008

How sensitive is morphogenesis to the mechanical properties of embryos? To estimate an upper bound on the sensitivity of early morphogenetic movements to tissue mechanical properties, we assessed natural variability in the apparent stiffness among gastrula‐stage Xenopus laevis embryos. We adapted micro‐aspiration methods to make repeated, nondestructive measurements of apparent tissue stiffness in whole embryos. Stiffness varied by close to a factor of 2 among embryos within a single clutch. Variation between clutches was of similar magnitude. On the other hand, the direction of change in stiffness over the course of gastrulation was the same in all embryos and in all clutches. Neither pH nor salinity—two environmental factors we predicted could affect variability in nature—affected tissue stiffness. Our results indicate that gastrulation in X. laevis is robust to at least twofold variation in tissue stiffness. Developmental Dynamics 238:2–18, 2009. © 2008 Wiley‐Liss, Inc.
A cyp19a1b‐gfp (aromatase B) transgenic zebrafish line that expresses GFP in radial glial cells
Authors: Tong Sok‐Keng , Mouriec Karen , Kuo Ming‐Wei , Pellegrini Elisabeth , Gueguen Marie‐Madeleine , Brion François , Kah Olivier , Chung Bon‐chu
Published: December 2008

Aromatase is an enzyme that catalyzes the synthesis of estrogen in gonads and brain. Teleost fish express aromatase (AroB) strongly in the brain facilitating its detailed examination. To understand the function of AroB in the brain, we generated transgenic zebrafish that expresses green fluorescent protein (GFP) driven by the brain aromatase cyp19a1b promoter. GFP was found in the radial glial cells of transgenic larvae and adult fish that overlap with AroB immunoreactivity in the correct temporal and spatial pattern. GFP was also coexpressed with radial cell marker BLBP, but was not in neurons. In addition, GFP expression in the radial glial cells was stimulated by estrogen, same as endogenous AroB expression. Thus, this transgenic line faithfully mimics the regulation of AroB expression in radial glial cells. It provides a powerful tool to further characterize progenitor radial cells in adult and developing fish and to evaluate estrogenic activities of xenoestrogens and phytoestrogens. genesis 47:67–73, 2009. © 2008 Wiley‐Liss, Inc.
Molecularly severe roX1 mutations contribute to dosage compensation in Drosophila
Authors: Deng Xinxian , Meller Victoria H.
Published: December 2008

Drosophila melanogaster males maintain a constant ratio of X‐linked to autosomal gene products by increasing expression from their single X chromosome. This is achieved through the action of a complex composed of protein and roX RNA. This complex binds in the body of genes and increases expression through chromatin modification. The X‐linked roX genes produce RNAs that are essential but redundant for recognition and modification of the male X chromosome. We report that some molecularly severe roX1 mutations with no detectable transcript accumulation contribute dramatically to male rescue by autosomal roX1 transgenes. We propose that this represents genetic complementation between a source of roX RNA (the autosomal transgene) and the severely mutated X‐linked allele. genesis 47:49–54, 2009. © 2008 Wiley‐Liss, Inc.
The moderation of pessimistic judgments associated with high and low dietary Restraint
Authors: Bentz Bret G. , Sharp Kacey , Teer Jolyn , DeOrnellas Kathy , Barfield Stephanie G.
Published: December 2008

This study investigated the moderation of pessimistic judgments associated with high and low levels of dietary restraint using the Consider‐An‐Alternative debiasing procedure. Caucasian female participants were randomly assigned to either a control or debiasing group in a mixed factorial repeated measure designed experiment. The participants read and made probability ratings as to the likelihood of future negative eating‐related events. The results showed that the debiasing procedure was effective in the reduction of pessimistic judgmental predictions for low restraint participants only. The results were discussed in terms of the debiasing technique and how it may serve to reduce pessimistic judgments. Finally, a potential for application in psychotherapy and cognitive models of psychopathology was emphasized. Copyright © 2008 John Wiley & Sons, Ltd and Eating Disorders Association.
Equivalence of two healthcare costing methods: bottom‐up and top‐down
Authors: Chapko Michael K. , Liu Chuan‐Fen , Perkins Mark , Li Yu‐Fang , Fortney John C. , Maciejewski Matthew L.
Published: December 2008

This paper compares two quite different approaches to estimating costs: a ‘bottom‐up’ approach, represented by the US Department of Veterans Affairs' (VA) Decision Support System that uses local costs of specific inputs; and a ‘top‐down’ approach, represented by the costing system created by the VA Health Economics Resource Center, which assigns the VA national healthcare budget to specific products using various weighting systems. Total annual costs per patient plus the cost for specific services (e.g. clinic visit, radiograph, laboratory, inpatient admission) were compared using scatterplots, correlations, mean difference, and standard deviation of individual differences. Analysis are based upon 2001 costs for 14 915 patients at 72 facilities. Correlations ranged from 0.24 for the cost of outpatient encounters to 0.77 for the cost of inpatient admissions, and 0.85 for total annual cost. The mean difference between costing methods was $707 ($4168 versus $3461) for total annual cost. The standard deviation of the individual differences was $5934. Overall, the agreement between the two costing systems varied by the specific cost being measured and increased with aggregation. Administrators and researchers conducting cost analyses need to carefully consider the purpose, methods, characteristics, strengths, and weaknesses when selecting a method for assessing cost. Copyright © 2008 John Wiley & Sons, Ltd.
Adjusting life for quality or disability: stylistic difference or substantial dispute?
Authors: Airoldi Mara , Morton Alec
Published: December 2008

This paper focuses on the contrast between describing the benefit of a healthcare intervention as gain in health (QALY‐type ideas) or a disability reduction (DALY‐type ideas). The background is an apparent convergence in practice of the work conducted under both traditions. In the light of these methodological developments, we contrast a health planner who wants to maximise health and one who wants to minimise disability. To isolate the effect of framing the problem from a health or a disability perspective, we do not use age‐weighting in calculating DALY and employ a common discounting methodology and the same set of quality of life weights. We find that interventions will be ranked in a systematically different way. The difference, however, is not determined by the use of a health or a disability perspective but by the use of life expectancy tables to determine the years of life lost. We show that this feature of the DALY method is problematic and we suggest its dismissal in favour of a fixed reference age rendering the use of a health or a disability perspective merely stylistic. Copyright © 2008 John Wiley & Sons, Ltd.
Inequity in publicly funded physician care: what is the role of private prescription drug insurance?
Authors: Allin Sara , Hurley Jeremiah
Published: December 2008

This study examines the impact that private financing of prescription drugs in Canada has on equity in the utilization of publicly financed physician services. The complementary nature of prescription drugs and physician service use alongside the reliance on private finance for drugs may induce an income gradient in the use of physicians. We use established econometric methods based on concentration curves to measure equity in physician utilization and its contributors in the province of Ontario. We find that individuals with prescription drug insurance make more physician visits than do those without insurance, and the effect on utilization is stronger for the likelihood of a visit than the conditional number of visits, and stronger for individuals with at least one chronic condition than those with no conditions. Results of the equity analyses reveal that the most important contributors to the pro‐rich inequity in physician utilization are income and private prescription drug insurance, while public insurance, which covers older people and those on social assistance, has a pro‐poor effect. These findings highlight that inequity in access to and use of publicly funded services may arise from the interaction with privately financed health services that are complements to the use of public services. Copyright © 2008 John Wiley & Sons Ltd.
Provider networks and primary‐care signups: do they restrict the use of medical services?
Authors: Deb Partha , Trivedi Pravin K.
Published: December 2008

This article analyzes the effect of gatekeeper and network restrictions on use of health‐care services using simulation‐based estimation methods. Data from the Community Tracking Survey (1996–1997) show significant evidence of selection into plans with gatekeeper and/or network restrictions. Enrollees in plans with networks of physicians have fewer office‐based visits to non‐physician medical professionals, but more emergency room visits and hospital stays. Individuals in plans that require signups with a primary‐care provider have more visits to non‐physician providers of care, more surgeries and hospital stays but substantially fewer emergency room visits. Enrollees of plans that do not pay for out‐of‐network services have more office‐based and emergency room visits, but less surgeries and hospitalizations. Copyright © 2008 John Wiley & Sons, Ltd.
Coefficient of variation of annual flood peaks: variability of flood peak and rainfall intensity
Authors: Kuzuha Yasuhisa , Tomosugi Kunio , Kishii Tokuo , Komatsu Yosuke
Published: December 2008

Scaling can be a powerful solution for predictions in ungauged basins (PUB). Since becoming a principal scaling tool, the theory concerning the index flood method has been criticized because it requires some scaling conditions that are satisfied in few river basins. In that method, precipitation and flood discharge variability play key roles. Consequently, the coefficient of variation (CV) of annual flood peaks came to be considered after the 1990s. In this paper, we have attempted to clarify true CV characteristics of flood discharges.

Using numerical simulations, we attempt to reproduce the empirical characteristics of an increase in CV with increasing catchment area for a small basin (i.e. less than 30–100 km2) and decrease in CV with increasing catchment area for a large basin. First, as a preliminary test, we developed a simple model, which is on the basis of the unit hydrograph. Results obtained using this simple model show that the CV of annual flood peaks shows a constant‐increasing‐constant pattern, but this model cannot reproduce the empirical characteristics. Secondly, we used an idealized channel network to find the cause of decreasing CV. However, results show that the ability to reproduce the empirical characteristics is unrelated to the presence or absence of a network. This was confirmed using a distributed rainfall‐runoff (DRR) model comprising a channel network. The most important cause is decreased CV of rainfall intensity with increasing catchment area.

Furthermore, increasing CV of the peak discharge response (PDR) function increases the CV of annual flood peaks. However, the CV of PDR of a partial duration series does not affect the CV of annual flood peaks for smaller basins (0·1 km2 in our simulation condition); hence CV is constant for small basins. Copyright © 2008 John Wiley & Sons, Ltd.
Simplification of heat balance calculation and its application to the glacier runoff from the July 1st Glacier in northwest China since the 1930s
Authors: Sakai Akiko , Fujita Koji , Nakawo Masayoshi , Yao Tandong
Published: December 2008

Since ancient times meltwater from glaciers in mountain zones has been an important water resource in the arid region of northwest China. Meteorological elements for heat balance calculations at the glacier surface were simplified with the aim of simulating discharge fluctuations from the July 1st Glacier over a span of decades. By estimating relative humidity and downward solar radiation from precipitation, heat balance calculations at the glacier can be made using only daily temperature and precipitation, which are easily obtainable. Calculations of daily discharge using the above method during the melting season in 2002 produced a better simulation than those using the conventional positive degree‐day (PDD) factor method. (The ablation of glacier during any particular period is assumed to be proportional to the sum of daily mean temperatures above the melting point during that period.)

We calculated the glacier runoff and mass balance at the July 1st Glacier since 1935 from monthly meteorological data taken near the glacier using the above method. We used three patterns of daily temperature and precipitation to estimate daily meteorological data from monthly or annual data. Calculated mass balance using the patterns of air temperature and precipitation in years when the pressure distributions were similar to its long‐term average corresponded well with observed data. Our simulation of the glacier runoff since 1935 also showed good results. Copyright © 2008 John Wiley & Sons, Ltd.
Evaluation of flood control and inundation conservation in Cambodia using flood and economic growth models
Authors: Kazama So , Kono Tatsuhito , Kakiuchi Kengo , Sawamoto Masaki
Published: December 2008

This paper evaluates the optimal spatial flood protection for people living with the threat of floods in the lower Mekong River region with respect to hydrology and economics. A hydrological numerical simulation contributes to an understanding of the relationship between flood control policy and inundation areas. The numerical simulation consists of a dynamic wave model in channels and a non‐uniform flow model in inundation areas, which estimate the temporal and spatial dynamic distributions of water depth. In economics, an overlapping generations model expresses the economy's growth process considering flood magnitude and flood protection. This economic model is composed of industrial and agricultural production functions which are affected by flood control policies. The hydrological and economic models are verified by remote sensing images and data from the economic development of Thailand, respectively. Combining these two models, we can identify the area to protect and accept floods for regional development. Wide areas along the rivers should be flooded due to the benefits from fertilization for inundation agriculture in Cambodia. The conservation area should be about 2000 km2, and the spatial distribution of flooding should be identified. In the beginning of an economic growth period, there is little difference in the production of an inundation area in the range of 0–2000 km2. As the inundation area becomes larger, the production rate is larger in the stable growth period. This study explains that inundation agriculture should be maintained in riverside areas which supply much of the agricultural production in Cambodia. Copyright © 2008 John Wiley & Sons, Ltd.
Recent advances in the assessment of the ratios of cortisol to cortisone and of some of their metabolites in urine by LC‐MS‐MS
Authors: Saba Alessandro , Raffaelli Andrea , Cupisti Adamasco , Petri Antonella , Marcocci Claudio , Salvadori Piero
Published: December 2008

A previously reported method for the assessment of the ratio of tetrahydrocortisol (THF) + allo‐tetrahydrocortisol (A‐THF) to tetrahydrocortisone (THE) by HPLC‐MS‐MS has been significantly improved, in order to increase either ruggedness and reliability. That was achieved by the introduction of an on‐line sample cleanup stage, which made use of a perfusion column as a solid phase microextraction (SPE) cartridge. The set of analytes was expanded, by introducing cortisol and cortisone, whose ratio supply additional diagnostic information. The response factors of both THF and A‐THF has been checked, resulting almost identical, as well as the influence of the matrix on the calibration curves which, although different for water and urine, had similar effect on the ratios of interest. As a consequence, the calibration solutions can be prepared in pure water. The influence of several different storage procedures has also been tested, resulting in no substantial effect on the final result. Finally, the improved method has been used to run real samples from healthy volunteers, with satisfactory results. Copyright © 2008 John Wiley & Sons, Ltd.
Comparison of LID versus CID activation modes in tandem mass spectrometry of peptides
Authors: Shenar Nawar , Sommerer Nicolas , Martinez Jean , Enjalbal Christine
Published: December 2008

We report our contribution to the systematic investigation of peptide fragmentations performed on high‐performance Tof equipment, operating in MS and MS/MS modes, such as ESI‐QqTof and MALDI‐Tof/Tof instruments that are commonly available today in proteomic laboratories. Whereas the former analyzer's configuration provides low‐energy collision‐induced dissociations (CID), the latter allows tunable activation methods of the selected parent ion to induce either metastable laser‐induced dissociations (LID) or high‐energy CID (‘gas on spectra LID’). Fragmentation of the monoprotonated ion of 53 peptides (FW 807–2853 g/mol) was undertaken upon low‐energy CID on an ESI‐QTof mass spectrometer (Waters) as well as high‐energy CID and LID conditions on a MALDI Ultraflex mass spectrometer (Bruker). Systematic comparison of MS/MS spectra provided useful information on the performance of each piece of equipment for efficient peptide sequencing and also insights into the observed fragmentation behaviors. Copyright © 2008 John Wiley & Sons, Ltd.
Searching for anthropogenic contaminants in human breast adipose tissues using gas chromatography‐time‐of‐flight mass spectrometry
Authors: Hernández Félix , Portolés Tania , Pitarch Elena , López Francisco J.
Published: December 2008

The potential of gas chromatography‐time‐of‐flight mass spectrometry (GC‐TOF MS) for screening anthropogenic organic contaminants in human breast adipose tissues has been investigated. Initially a target screening was performed for a list of 125 compounds which included persistent halogen pollutants [organochlorine (OC) pesticides, polychlorinated biphenylss (PCBs), polybrominated diphenyl ethers (PBDEs)], polyaromatic hydrocarbons (PAHs), alkylphenols, and a notable number of pesticides from the different fungicide, herbicide and insecticide families. Searching for target pollutants was done by evaluating the presence of up to five representative ions for every analyte, all measured at accurate mass (20‐mDa mass window). The experimental ion abundance ratios were then compared to those of reference standards for confirmation. Sample treatment consisted of an extraction with hexane and subsequent normal‐phase (NP) High performance liquid chromatography (HPLC) or SPE cleanup. The fat‐free LC fractions were then investigated by GC‐TOF MS.

Full‐spectral acquisition and accurate mass data generated by GC‐TOF MS also allowed the investigation of nontarget compounds using appropriate processing software to manage MS data. Identification was initially based on library fit using commercial nominal mass libraries. This was followed by comparing the experimental accurate masses of the most relevant ions with the theoretical exact masses with calculations made using the elemental composition calculator included in the software.

The application of both target and nontarget approaches to around 40 real samples allowed the detection and confirmation of several target pollutants including p,p′‐DDE, hexachlorobenzene (HCB), and some polychlorinated biphenyls (PCBs) and polyaromatic hydrocarbons (PAHs). Several nontarget compounds that could be considered anthropogenic pollutants were also detected. These included 3,5‐di‐tert‐butyl‐4‐hydroxy‐toluene (BHT) and its metabolite 3,5‐di‐tert‐butyl‐4‐hydroxybenzaldehyde (BHT‐CHO), dibenzylamine, N‐butyl benzenesulfonamide (N‐BBSA), some naphthalene‐related compounds and several PCBs isomers not included in the target list. As some of the compounds detected are xenoestrogens, the methodology developed in this paper could be useful in human breast cancer research. Copyright © 2008 John Wiley & Sons, Ltd.
The Sahelian standardized rainfall index revisited
Authors: Ali Abdou , Lebel Thierry
Published: December 2008

The Standardized Precipitation Index (SPI) is usually defined as the arithmetic mean of the normalized precipitation recorded at several stations over a region of interest where the standard deviation computed at each station over a period of reference is used as the normalizing factor. It is common to use this index in order to diagnose whether the Sahelian region can be considered as wet or dry for a given year. There are several key factors interfering with the relevance of the SPI as a measure of how rainy is a season over the Sahel. The strong spatial variability of the Sahelian rainfall at the annual scale, the uneven distribution of the raingauge network and the mean interannual climatological gradients across the region are the most important of these factors, and their influence is studied in detail here. Using an optimal interpolation algorithm to compute the SPI, the effects of various sampling schemes are first studied showing that the SPI computed as a single mean value over the whole Sahelian region is relatively robust with respect to these effects. However, the central key question remains that computing a single mean SPI over the Sahelian region hides the strong underlying spatial variability of this index. For instance, 2006 was a significantly dry season over the Sahel as a whole, but working at the 0.5° × 0.5° resolution shows that in fact only 28% of the area was significantly dry, while 15% of the Sahel was significantly wet. From conditional empirical distributions a distribution function is proposed to determine the spatial distributions of the 0.5° × 0.5° SPI values for a given mean regional SPI value. Studying in detail the space–time pattern of the SPI over the 1950–2006 period, also shows that recent years are characterized by a greater interannual variability than the previous 40 years, and by a contrast between the western Sahel remaining dry and the eastern Sahel returning to wetter conditions. Copyright © 2008 Royal Meteorological Society
Bioclimatic classification of Isfahan province using multivariate statistical methods
Authors: Yaghmaei L. , Soltani S. , Khodagholi M.
Published: December 2008

The purpose of the present study is to determine bioclimatic zones in Isfahan province using multivariate statistical method. Thirty‐nine climatic variables, which were more important in plant ecological conditions (especially Artemisia sieberi and Artemisia aucheri that include more than half of rangeland surface in Isfahan province), were selected and investigated with factor analysis. Results of factor analysis showed the first three factors that explain 92.3% of total variance in selected variables were precipitation, temperature and radiation and wind with 41.91, 40.18 and 10.23% of variance, respectively. According to results and using hierarchical cluster analysis in Ward's method, bioclimatic classification in Isfahan province was performed and seven bioclimatic zones were found. In addition, to compare the results of this study with the other climatic classification methods, Isfahan province was classified by four traditional climatic classification methods (Koppen, Gaussen, Emberger and De Martonne) and its results were compared to climatic classification by multivariate statistical method. It showed that multivariate statistical method gives better classification in comparison with other methods. Beside that precipitation is the most important factor in vegetation distribution of humid and cold and sub‐humid and cold regions in west and south parts of Isfahan province. In addition, temperature is the most important factor in vegetation distribution of hyper warm‐arid and warm‐arid climatic regions in eastern low elevation parts of province. Furthermore, dominant species were determined for each climatic region. Copyright © 2008 Royal Meteorological Society
How Cadforce makes quality part of the bottom line for its distributed work teams
Authors: Moser Cliff
Published: December 2008

When state‐of‐the‐art technology and explicit work processes could not assure the quality of its deliverables, a drafting outsourcing firm turned to other tools to bridge critical learning and communication gaps between project teams on opposite sides of the world, as well as making the client part of the quality equation. Cadforce eliminated a layer of onshore project management and clarified accountabilities for quality; made training a core part of the project work flow; and synchronized onshore and offshore work cycles through a results‐oriented work environment that incorporates new media, supplemented with a “human touch,” to enhance collaboration and expedite communication between teams. Cadforce also involved clients in trade‐off decisions by making the cost of quality an explicit part of its pricing strategy. © 2009 Wiley Periodicals, Inc.
HSBC brings a business model of banking to the doorsteps of the poor
Authors: Marar Pramod , Iyer Balaji S. , Brahme Unmesh
Published: December 2008

Tiny loans can make a huge difference, especially when coupled with financial literacy and capacity building. With a global commitment to sustainable business through financial inclusion, HSBC partners with microfinance institutions and other organizations to empower micro‐entrepreneurs among India's rural poor, who in turn are changing lives, families, and entire communities. The authors provide an overview of HSBC Group's sustainability strategy, a brief history of microfinance in India, and HSBC in India's role in serving the microfinance industry. They also discuss the bank's multi‐stakeholder initiatives for capacity building, which include two schools where rural women learn essential business and technical skills and financial literacy, and an environmental and social village‐based initiative for water conservation and livelihood creation. © 2009 Wiley Periodicals, Inc.
Mentors help new moms transition back to work at PricewaterhouseCoopers
Authors: Demirdjian Jennifer N.
Published: December 2008

A working mother reached out to encourage and support new moms in her office who were just learning to balance child‐care responsibilities with their demanding careers. Now the voluntary grassroots effort has blossomed into a formal program, part of PricewaterhouseCoopers's extensive WorkLife portfolio that is helping to retain talented women who want a family as well as a career. The author discusses the firm's actions to stem high turnover among returning mothers, including implementation of its Full Circle Program of extended leave. The article also explores the beginnings of the Mentor Moms program, how it works, the experience of some its participants, and how the firm is now making it widely available to its U.S. workforce. © 2009 Wiley Periodicals, Inc.
Dealing with the risks of innovation: A study of capital goods producers in Portugal
Authors: Varum Celeste Amorim , Monteiro Leonildo Varela , Saur‐Amaral Irina
Published: December 2008

Product innovation is a subtle process, frequently leading to shifts in the competitiveness of firms. Developing products in an environment undergoing technological change is given to frequent failure, even in well‐established and sophisticated organizations. In order to tackle competitiveness and to deal with innovation uncertainty, firms develop modes of innovation and innovation processes. In this study, we analyze the dominant uncertainties associated with the innovation process and modes of innovation of leading equipment and machinery producers.

For that purpose we analyze the presence and types of risks and uncertainties applied to product innovation, and we test the use of two modes of innovation proposed in recent literature: (1) the Science, Technology, and Innovation (STI) mode, which is based on the production and use of codified scientific and technical knowledge, and (2) the Doing, Using, and Interacting (DUI) mode, which relies on informal processes of learning and experience‐based know‐how.

The study is based on an exploratory multiple case study of producers of equipment and machinery in the industrial region of Aveiro, Portugal, and carried out under the research “Project Enterprise of the Future” at the University of Aveiro. The results of our study highlight several avenues that can help researchers to better channel their efforts in studying the phenomenon and help managers to foster innovation at their companies and in this way their firms' competitiveness. © 2009 Wiley Periodicals, Inc.
Making foreign market entry decisions
Authors: Martínez Paloma Almodóvar , López José Emilio Navas
Published: December 2008

This article investigates the impact of the overall strategic posture of the firm on the choice of entry mode into a foreign market. This framework identifies three underlying strategies—internationalization, growth, and business—that exert a powerful influence on the choice of an international joint venture as a means of achieving an organization's goals in a global market. After conceptualizing the different types of strategies and analyzing empirical cases, we develop an ordinal logistic regression model to examine the Spanish manufacturing sector for the 2000–2002 period. The results show that firms prefer an international joint venture over a wholly owned subsidiary when developing multidomestic and cost leadership strategies. © 2009 Wiley Periodicals, Inc.
Raman and mid‐IR spectroscopic study of the magnesium carbonate minerals—brugnatellite and coalingite
Authors: Frost Ray L. , Bahfenne Silmarilly
Published: December 2008

Two hydrated hydroxy magnesium carbonate minerals brugnatellite and coalingite with a hydrotalcite‐like structure were studied by Raman spectroscopy. Intense bands are observed at 1094 cm−1 for brugnatellite and at 1093 cm−1 for coalingite attributed to the CO32−ν1 symmetric stretching mode. Additional low intensity bands are observed at 1064 cm−1. The existence of two symmetric stretching modes is accounted for in terms of different anion structural arrangements. Very low intensity bands at 1377 and 1451 cm−1 are observed for brugnatellite, and the Raman spectrum of coalingite displays two bands at 1420 and 1465 cm−1 attributed to the (CO3)2−ν3 antisymmetric stretching modes. Very low intensity bands at 792 cm−1 for brugnatellite and 797 cm−1 for coalingite are assigned to the CO32− out‐of‐plane bend (ν2). X‐ray diffraction studies by other researchers have shown that these minerals are disordered. This is reflected in the difficulty of obtaining Raman spectra of reasonable quality and explains why the Raman spectra of these minerals have not been previously or sufficiently described. A comparison is made with the Raman spectra of other hydrated magnesium carbonate minerals. Copyright © 2008 John Wiley & Sons, Ltd.
Vibrational spectroscopic study of the hydrated platinum(II), palladium(II) and cis‐diammineplatinum(II) ions in acidic aqueous solutions
Authors: Kocsis L. , Mink J. , Jalilehvand F. , Laffin L. J. , Berkesi O. , Hajba L.
Published: December 2008

Mid infrared, far‐infrared and Raman spectroscopic studies, combined with force field analyses, were performed for the hydrated platinum(II) and palladium(II) ions and cis‐diammineplatinum(II) complex in acidic aqueous solutions. Simplified Density Functional Theory (DFT) calculations were made for the equatorial plane of the platinum complexes. Careful subtraction of solvent spectra allowed a number of ‘internal’ modes of coordinated H2O and NH3 to be determined as weak residual bands. The [Pt(OH2)6]2+ and [cis‐Pt(NH3)2(OH2)4]2+ complexes were found to be six‐coordinated with four ligands strongly bound in an equatorial plane. The assignments of the vibrational modes in the equatorial plane could be performed on the basis of the experimental observations and by comparison with metal–ligand vibrations of square‐planar complexes, aided by normal coordinate calculations. For the weakly coordinated axial aqua ligands, the low wavenumber range and the polarizibility properties allowed the assignments of the bands at about 365 and 325 cm−1 to the stretching modes of one short and one longer Pt— O* bound to axial aqua ligands, respectively. A similar picture with even less strongly bound axial water molecules emerges from Raman spectroscopy data for the hydrated palladium(II) ion, [Pd(OH2)6]2+. The results are consistent with a description of the [Pt(OH2)6]2+ and [Pd(OH2)6]2+ aqua ions in C4v symmetry, and with the [cis‐Pt(NH3)2(OH2)4]2+ complex in the Cs point group, and also in qualitative agreement with the structures devised from previous extended X‐ray absorption fine structure (EXAFS) measurements. Copyright © 2008 John Wiley & Sons, Ltd.
FT‐Raman and FT‐IR spectral and quantum chemical studies on some flavonoid derivatives: Baicalein and Naringenin
Authors: Unsalan Ozan , Erdogdu Yusuf , Gulluoglu M. Tahir
Published: December 2008

In this study, the experimental and theoretical results on the molecular structures of some flavonoid derivatives (Baicalein and Naringenin) are presented. The FT‐IR and FT‐Raman spectra of the compounds have been recorded together for the first time between 4000–400 cm−1 and 3500–5 cm−1 regions, respectively. The molecular geometry and vibrational wavenumbers of the compounds have been also calculated in their ground states by using ab initio HF and DFT/B3LYP functional with 6‐31G(d,p) basis set used in calculations. The calculations were utilized to the C1 symmetries of the molecules. All calculations were performed with Gaussian 98 software. The obtained vibrational wavenumbers and optimized geometric parameters were seen to be in good agreement with the experimental data. Scale factors have been used in order to compare how the calculated and experimental data are in agreement. Theoretical infrared intensities were also reported. Copyright © 2008 John Wiley & Sons, Ltd.
Characterization and optimization of AuNPs labeled by Raman reporters on glass based on silver enhancement
Authors: Wang Yuling , Ren Wen , Dong Shaojun , Wang Erkang
Published: December 2008

In this report, gold nanoparticles (AuNPs) labeled by Raman reporters (AuNPs‐R6G) were assembled on glass and used as the seeds to in situ grow silver‐coated nanostructures based on silver enhancer solution, forming the nanostructures of AuNPs‐R6G@Ag, which were characterized by scanning electron microscopy (SEM) and UV‐visible spectroscopy. More importantly, the obtained silver‐coated nanostructures can be used as a surface enhancement Raman scattering (SERS) substrate. The different SERS activities can be controlled by the silver deposition time and assembly time of AuNPs‐R6G on glass. The results indicate that the maximum SERS activity could be obtained on AuNPs‐R6G when these nanostructures were assembled on glass for 2 h with silver deposition for 2 min. In addition, the reproducibility of SERS signal on the fabricated nanostructures is very high with the intensity error lower than 15%, which has great promise as a probe for application in bioanalysis. Copyright © 2008 John Wiley & Sons, Ltd.
The gas‐phase elimination kinetics of ethyl 2‐furoate and ethyl 2‐thiophenecarboxylate
Authors: Espitia Liliany , Meneses Ruby , Dominguez Rosa M. , Tosta Maria , Herize Armando , Lezama Jesus , Lafont Jennifer , Chuchani Gabriel
Published: December 2008

The gas‐phase elimination kinetics of ethyl 2‐furoate and 2‐ethyl 2‐thiophenecarboxylate was carried out in a static reaction system over the temperature range of 623.15–683.15 K (350–410°C) and pressure range of 30–113 Torr. The reactions proved to be homogeneous, unimolecular, and obey a first‐order rate law. The rate coefficients are expressed by the following Arrhenius equations: ethyl 2‐furoate, log k1 (s−1) = (11.51 ± 0.17)–(185.6 ± 2.2) kJ mol−1 (2.303 RT)−1; ethyl 2‐thiophenecarboxylate, log k1 (s−1) = (11.59 ± 0.19)–(183.8 ± 2.4) kJ mol−1 (2.303 RT)−1. The elimination products are ethylene and the corresponding heteroaromatic 2‐carboxylic acid. However, as the reaction temperature increases, the intermediate heteroaromatic carboxylic acid products slowly decarboxylate to give the corresponding heteroaromatic furan and thiophene, respectively. The mechanisms of these reactions are suggested and described. © 2008 Wiley Periodicals, Inc. Int J Chem Kinet 41: 145–152, 2009
Solvent effects on kinetics of an aromatic nucleophilic substitution reaction in mixtures of an ionic liquid with molecular solvents and prediction using artificial neural networks
Authors: Habibi‐Yangjeh Aziz , Jafari‐Tarzanag Yahya , Banaei Ali Reza
Published: December 2008

Kinetics of the reaction between 1‐chloro‐2,4‐dinitrobenzene and aniline was studied in mixtures of 1‐ethyl‐3‐methylimidazolium ethylsulfate ([EMIM][EtSO4]) with methanol, chloroform, and dimethylsulfoxide at 25°C. Single‐parameter correlations of log kA versus normalized polarity parameter (ENT), hydrogen‐bond acceptor basicity (β), hydrogen‐bond donor acidity (α), and dipolarity/polarizability (π*) of media do not give acceptable results. Multiparameter linear regression (MLR) of log kA versus the solvatochromic parameters demonstrates that the reaction rate constant increases with ENT, π*, and β and decreases with α parameter. To predict accurately solvent effects on the rate constant, optimized artificial neural network with three inputs (including α, π*, and β parameters) was applied for prediction of the log kA values in the prediction set. It was found that properly selected and trained neural network could fairly represent the dependence of the reaction rate constant on solvatochromic parameters. Mean percent deviation of 5.023 for the prediction set by the MLR model should be compared with the value of 0.343 by the artificial neural network model. These improvements are due to the fact that the reaction rate constant shows nonlinear correlations with the solvatochromic parameters. © 2008 Wiley Periodicals, Inc. Int J Chem Kinet 41: 153–159, 2009
Studies on the oxygen atom transfer reactions of peroxomonosulfate: Oxidation of glycolic acid
Authors: Shailaja S. , Ramachandran M. S.
Published: December 2008

The kinetics of oxidation of glycolic acid, an α‐hydroxy acid, by peroxomonosulfate (PMS) was studied in the presence of Ni(II) and Cu(II) ions and in acidic pH range 4.05–5.89. The metal glycolate, not the glycolic acid (GLYCA), is oxidized by PMS. The rate is first order in [PMS] and metal ion concentrations. The oxidation of nickel glycolate is zero‐order in [GLYCA] and inverse first order in [H+]. The increase of [GLYCA] decreases the rate in copper glycolate, and the rate constants initially increase and then remain constant with pH. The results suggest that the metal glycolate ML+ reacts with PMS through a metal‐peroxide intermediate, which transforms slowly into a hydroperoxide intermediate by the oxygen atom transfer to hydroxyl group of the chelated GLYCA. The effect of hydrogen ion concentrations on kobs suggests that the structure of the metal‐peroxide intermediates may be different in Ni(II) and Cu(II) glycolates. © 2008 Wiley Periodicals, Inc. Int J Chem Kinet 41: 160–167, 2009
Experimental and quantum‐chemical studies of 1H, 13C and 15N NMR coordination shifts in Au(III), Pd(II) and Pt(II) chloride complexes with picolines
Authors: Pazderski Leszek , Toušek Jaromír , Sitkowski Jerzy , Maliňáková Kateřina , Kozerski Lech , Szłyk Edward
Published: December 2008

1H, 13C and 15N NMR studies of gold(III), palladium(II) and platinum(II) chloride complexes with picolines, [Au(PIC)Cl3], trans‐[Pd(PIC)2Cl2], trans/cis‐[Pt(PIC)2Cl2] and [Pt(PIC)4]Cl2, were performed. After complexation, the 1H and 13C signals were shifted to higher frequency, whereas the 15N ones to lower (by ca 80–110 ppm), with respect to the free ligands. The 15N shielding phenomenon was enhanced in the series [Au(PIC)Cl3] < trans‐[Pd(PIC)2Cl2] < cis‐[Pt(PIC)2Cl2] < trans‐[Pt(PIC)2Cl2]; it increased following the Pd(II) → Pt(II) replacement, but decreased upon the trans → cis‐transition. Experimental 1H, 13C and 15N NMR chemical shifts were compared to those quantum‐chemically calculated by B3LYP/LanL2DZ + 6‐31G**//B3LYP/LanL2DZ + 6‐31G*. Copyright © 2008 John Wiley & Sons, Ltd.
Preimplantation genetic diagnosis for fragile X syndrome: is there increased transmission of abnormal FMR1 alleles among female heterozygotes?
Authors: Reches Adi , Malcov Mira , Ben‐Yosef Dalit , Azem Foad , Amit Ami , Yaron Yuval
Published: December 2008

Background

Fragile X syndrome is caused by a CGG triplet‐repeat expansion mutation in the FMR1 gene. Previous studies have shown increased transmission of abnormal alleles in the 51–60 repeat range. This study was undertaken to evaluate the performance of preimplantation genetic diagnosis (PGD) for fragile X, and to assess the transmission rate of the abnormal FMR1 alleles in this setting.

Method

The study included 18 fragile X carriers who applied for PGD. FMR1 CGG repeats ranged from 70 to 300. PGD was performed using multiplex‐nested PCR, with simultaneous amplification of the CGG repeat region and several polymorphic markers, and sex chromosome markers.

Results

Four patients had a poor ovarian response, and could not undergo PGD. The remaining 14 patients underwent 47 PGD cycles. A total of 565 oocytes were aspirated. Of the 386 embryos that were successfully biopsied, 18 (6.4%) could not be analyzed due to amplification failure, and 12 (4.3%) had sex chromosomal abnormalities. Of the remaining 250 embryos, the abnormal allele was transmitted to 124 embryos (49.6%) compared to 126 (50.4%) for the normal allele. This difference was not statistically significant. Only embryos carrying the normal allele were transferred, resulting in 7 clinical pregnancies (18% per embryo transfer).

Conclusions

Our results demonstrate that PGD for fragile X is feasible, and that carriers transmit the abnormal allele at the same frequency as the normal allele. Copyright © 2008 John Wiley & Sons, Ltd.