bluuebunny/crossref_metadata_2025 huggingface dataset:
The Supramolecular Architecture of Arene Complexes of Bis(polyfluorophenyl)mercurials
Authors: Deacon Glen B. , Forsyth Craig M. , Junk Peter C. , Ness Timothy J. , Izgorodina Ekaterina , Baldamus Jens , Meyer Gerd , Pantenburg Ingo , Hitzbleck Julia , Ruhlandt‐Senge Karin
Published: September 2008

The 1:1 (arene)mercury complexes [HgR2(arene)] [R = C6F4‐o‐NO2, C6F4‐m‐NO2, C6F4‐o‐H, C6F5; arene = TMB (1,2,4,5‐tetramethylbenzene), PMB (1,2,3,4,5‐pentamethylbenzene)] are readily formed when mixtures of the mercurial and arene are crystallised from CH2Cl2 or CH2Cl2/hexane. Analogous 1:1 complexes are also formed from Hg(C6F5)2 and PhMe, whereas novel 1:2 complexes [HgR2(arene)2] result from Hg(C6F4‐o‐NO2)2 and PhMe or TMO (1,2,4‐trimethoxybenzene) and from Hg(C6F5)2 and TMO. In the crystalline state, the 1:1 [HgR2(arene)] complexes exist as canted columns of alternating planar HgR2 and arene layers linked by weak (Hg···C 3.2–3.5 Å) η1 or η2 π‐arene–mercury interactions. For the TMB (R = C6F4‐o‐NO2, C6F4‐o‐H, C6F5) and PhMe (R = C6F5) complexes, the packing of neighbouring columns shows aligned, alternating fluoroarene and arene ring planes resulting in a 2D brick‐wall motif with potential supramolecular components (fluoroarene–fluoroarene and fluoroarene–arene stacking). For the TMB complex with R = C6F4‐m‐NO2 the 2D array is distorted into a herringbone motif by weak C–H···O interactions. The 1:2 complex [Hg(C6F4‐o‐NO2)2(PhMe)2] has an analogous mercury environment to the 1:1 complexes, and the packing shows a distinct layer structure of alternating rows of PhMe and HgR2 with two PhMe units per HgR2 unit but with no inter‐stack interactions. The TMO complexes have long Hg···O contacts (3.2 Å) rather than Hg···C and similarly show a layered structure, but in this case, with a single column of alternating HgR2 and pairs of TMO. Theoretical calculations for the 1:2 [HgR2(TMB)2] complexes (R = C6F4‐o‐NO2, C6F4‐m‐NO2) are consistent with the findings from the observed crystal structures. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
Zn Pyropheophorbide a: A β‐Face Selective Nicotine Receptor
Authors: Kavakka Jari S. , Heikkinen Sami , Helaja Juho
Published: September 2008

Nicotine binds to a semisynthetic chlorophyll a derivative, Zn pyropheophorbide a, in a receptor‐like manner to form a 1:1 complex with β‐face diastereomeric configuration. The geometry of the complex structure was evidenced by 1H NMR, ROESY and DOSY spectroscopic experiments combined with molecular modelling DFT B3LYP calculations at the 6‐31G* level. The observed binding between the chlorin and nicotine takes place through a “two‐point binding” mechanism, in which the nicotine N‐pyridyl moiety coordinates to the chlorin zinc atom, whilst the nicotine N‐methyl pyrrolidine unit forms an ion pair with the chlorin acid group. The binding mechanism was further confirmed by association constants (Ka) obtained from titration experiments in CDCl3 with 1H NMR spectroscopic monitoring (8.0 × 105 M–1) and in toluene with UV/Vis (6.1 × 104 M–1) monitoring. The corresponding binding constants obtained for nicotine with one‐point binder, Zn pyropheophorbide a methyl ester, were 4.8 × 105 and 2.3 × 104 M–1, respectively. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
1‐Oxoniaadamantane (Eur. J. Org. Chem. 27/2008)
Authors: Etzkorn Markus , Aniszfeld Robert , Li Tiejun , Buchholz Herwig , Rasul Golam , Prakash G. K. Surya , Olah George A.
Published: September 2008

The cover picture shows the preparation of 1‐oxoniaadamantane by several different pathways under superacidic conditions. The structure of the intriguing bridgehead oxonium ion was characterized by NMR spectroscopy, DFT calculations and X‐ray crystallography as a CB11Cl16H6 counteranion salt. The cation is a missing member of the diamondoid 1‐heteroadamantane series. Details are discussed in the Short Communication by G. K. S. Prakash, G. A. Olah et al. on p. 4555 ff.
Performance of a guideway seismic isolator with magnetic springs for precision machinery
Authors: Yao George C. , Huang Wen‐Chun
Published: September 2008

This paper proposes the use of the nonlinear restoring force in an isolation system to improve the performance of a seismic isolator. Nonlinear magnetic springs applied to guideway sliding isolators (GSI) that protect precision machinery against seismic motion were studied. The magnetic springs use a non‐contact magnetic repulsion force to achieve a nonlinear property. A numerical simulation model of the GSI system using step‐by‐step integration in the time domain was developed. A full‐scale shaking table test was performed to verify the accuracy of the numerical model. Simulation and experimental results show that the GSI system with magnetic springs has good performance when subjected to floor vibrations during earthquakes. A parametric analysis of the magnetic springs in the GSI system under seismic motion was theoretically investigated. It was found that sufficient magnetic forces can diminish the system relative displacements. Copyright © 2008 John Wiley & Sons, Ltd.
Government and accountability: Paving the way for nonprofits and evaluation
Authors: Carman Joanne G. , Fredericks Kimberly A. , Introcaso David
Published: September 2008

The authors review the unique characteristics of nonprofit organizations and explain how nonprofit organizations play a prominent role in providing today's public services. The authors describe how the field of professional evaluation developed in response to government performance‐based management initiatives, noting that recent efforts at the federal level—Government Performance and Results Act (GPRA) and the Program Assessment Rating Tool (PART) in particular—have “revived” program evaluation and brought outcomes measurement into the forefront of public and nonprofit management. The chapter concludes with a reflection on the last 30 years, noting key important developments, milestones, and trends in the field, including calls for more effective philanthropy, an increase in accessible evaluation training manuals and tools, and organized efforts to build the evaluation capacity of nonprofit organizations. © Wiley Periodicals, Inc.
Measuring outcomes of United Way–funded programs: Expectations and reality
Authors: Hendricks Michael , Plantz Margaret C. , Pritchard Kathleen J.
Published: September 2008

In 1996, United Way of America (UWA) developed and began disseminating the most widely used approach to program outcome measurement in the nonprofit sector. Today an estimated 450 local United Ways encourage approximately 19,000 local agencies they fund to measure outcomes. The authors first describe and then assess the strengths and limitations of the distinguishing features of the UWA approach, efforts to disseminate the approach, implementation by local United Ways, and actual outcome measurement by local agencies. The chapter ends with a description of United Way's relatively new emphasis on community impact and how that initiative relates to program outcome measurement. © Wiley Periodicals, Inc.
Paying the piper: Foundation evaluation capacity calls the tune
Authors: Behrens Teresa R. , Kelly Thomas
Published: September 2008

An overview is presented of forces that have shaped how public and private funders approach evaluation, including the challenges that funders, and particularly foundations, face in effectively using evaluation within an organizational learning framework. Even with internal organizational challenges to learning, foundations are increasingly embracing knowledge management and performance measurement as tools for reflection, learning, and accountability. The authors argue that funders must ultimately adopt a more systems‐oriented view of their work if they are to effectively use and learn from evaluation, and to adopt both funding strategies and evaluation approaches that are situated in a systems change paradigm. Emerging tools to help foundations incorporate systems approaches in grantmaking are highlighted. © Wiley Periodicals, Inc.
Nonprofits and evaluation: Empirical evidence from the field
Authors: Carman Joanne G. , Fredericks Kimberly A.
Published: September 2008

The authors explore what evaluation looks like, in practice, among today's nonprofit organizations on the basis of their survey results. The types of evaluation activities nonprofit organizations are engaging in on a regular basis, as well as the types of data they are collecting and how they are using these data, are described. How nonprofits think about evaluation and a three‐pronged typology, based on a factor analysis of the survey data, is presented. This analysis shows that nonprofit organizations tend to think about evaluation in three distinct ways: as a resource drain and distraction; as an external, promotional tool; and as a strategic management tool. The authors recommend how funders, evaluators, and nonprofit managers can change the way they think about evaluation and build upon the way they currently use evaluation to maximize its potential. © Wiley Periodicals, Inc.
Voices from the field: Evaluation as part of a learning culture
Authors: Hoole Emily , Patterson Tracy E.
Published: September 2008

The authors present the argument that evaluation as currently practiced is failing the needs of the social sector, if the goal is to help organizations achieve their mission. Three case studies are presented in which evaluation played a key role in the development of a learning culture within the organization. Each case highlights the positive potential for evaluation to foster continuous organizational learning and improvement, build relationships, and facilitate organizational development. The authors find that although capacity building efforts by funders were important, the commitment of organizational leadership was critical in transforming the role of evaluation from one of basic reporting and accountability to a true process of continuous organizational learning. This transformation requires leadership commitment to development of an evaluative learning culture and an infrastructure to support it. © Wiley Periodicals, Inc.
The Long Road to Visible Atoms
Authors: Urban Knut
Published: September 2008

For centuries, physicists and engineers have been battling image aberration in microscopes. With high resolution transmission electron microscopes they have minimised the flaws yet further – allowing the progress of research and technology to continue
The Secret of the Green Skin
Authors: Karsten Ulf , Schumann Rhena , Gustavs Lydia , Friedl Thomas
Published: September 2008

They are everywhere: Microalgae colonise house walls, soil and trees. Even inhospitable environments hardly bother these algal communities. The way in which biofilms protect themselves and constantly adapt to their habitat is also of interest to basic researchers
A Question of Integrity
Authors: Beisiegel Ulrike
Published: September 2008

The DFG's recommendations for ensuring good scientific practice are still current, even ten years after they were published – and yet they have still not really arrived in everyday science
A linear index for predicting joint health‐states utilities from single health‐states utilities
Authors: Basu Anirban , Dale William , Elstein Arthur , Meltzer David
Published: September 2008

Direct elicitation of utilities for joint health (JS) states may pose substantial interview burden, while traditional models to predict these utilities from utilities of component single states (SS) are inconsistent with the data. Using individual‐level data on utilities for health states associated with prostate cancer, we report the performance of a new model that encompasses three traditional models – additive, multiplicative, and minimum – previously used for predicting utilities for joint health states. Describing utilities in terms of utility losses l(.) relative to prefect health, our final estimated linear index for predicting joint health‐state utilities is El(JS)=0.05+0.72·max l(SS1),l(SS2)+0.33·min l(SS1),l(SS2)−0.18·l(SS1)·l(SS2). Based on out‐of‐sample predictions, this model produces up to 50% reduction in mean‐square error compared with traditional models and consistent prediction across different ranges of joint‐state utilities, which the traditional models do not. Parameter estimates of the new model proposed here provide direct evidence on the inconsistencies of the traditional models, are grounded in psychological theory by emphasizing the more severe component of a joint health state, and provide a simple linear index to generate consistent predictions of utilities for joint health states. Further validation of this function for joint health states in other clinical scenarios is warranted. Copyright © 2008 John Wiley & Sons, Ltd.
Designing choice experiments with many attributes. An application to setting priorities for orthopaedic waiting lists
Authors: Witt Julia , Scott Anthony , Osborne Richard H.
Published: September 2008

The aim of this paper is to undertake a discrete choice experiment using a ‘blocked attribute’ design. To date in the health economics literature, most discrete choice experiments have used only a relatively small number of attributes due to concerns about task complexity, non‐compensatory decision rules, simplicity of experimental designs, and the costs of surveys. This may lead to omitted variable bias and reduced explanatory power when attributes have been pre‐selected from a longer list. There may be situations where it is desirable to include a longer list of attributes, such as attaching weights to quality‐of‐life instruments to obtain single index scores. We examine this issue in the context of attaching weights to a disease‐specific quality‐of‐life instrument used to prioritise patients on orthopaedic waiting lists in Victorian hospitals. Eleven attributes are allocated across three separate experimental designs and the data pooled for analysis. Pooling is justified given the specific context of the study, including attempts to minimise the effect of unobserved heterogeneity across the three models when designing the study and collecting data. Blocked attribute designs may offer flexibility to researchers when it is not possible or desirable to reduce the number of attributes. Copyright © 2008 John Wiley & Sons, Ltd.
Proximity to death and participation in the long‐term care market
Authors: Weaver France , Stearns Sally C. , Norton Edward C. , Spector William
Published: September 2008

The extent to which increasing longevity increases per capita demand for long‐term care depends on the degree to which utilization is concentrated at the end of life. We estimate the marginal effect of proximity to death, measured by being within 2 years of death, on the probabilities of nursing home and formal home care use, and we determine whether this effect differs by availability of informal care – i.e. marital status and co‐residence with an adult child. The analysis uses a sample of elderly aged 70+from the 1993–2002 Health and Retirement Study. Simultaneous probit models address the joint decisions to use long‐term care and co‐reside with an adult child. Overall, proximity to death significantly increases the probability of nursing home use by 50.0% and of formal home care use by 12.4%. Availability of informal support significantly reduces the effect of proximity to death. Among married elderly, proximity to death has no effect on institutionalization. In conclusion, proximity to death is one of the main drivers of long‐term care use, but changes in sources of informal support, such as an increase in the proportion of married elderly, may lessen its importance in shaping the demand for long‐term care. Copyright © 2008 John Wiley & Sons, Ltd.
The impact of scaling‐up prevention of mother‐to‐child transmission (PMTCT) of HIV infection on the human resource requirement: the need to go beyond numbers
Authors: Simba Daudi , Kamwela Jerome , Mpembeni Rose , Msamanga Gernard
Published: September 2008

Although the mother‐to‐child transmission (MTCT) contributes only 5% of transmission of HIV infection, its impact has reversed the decline in infant and child mortality rates. With antenatal service coverage of over 90%, the integration of prevention of MTCT (PMTCT) of HIV infection into the Reproductive and Child Health (RCH) services in Tanzania, this is likely to overstretch the staff capacity and undermine the already compromised quality of health care services. A retrospective study was conducted to assess the impact of integrating and scaling‐up PMTCT of HIV infection into routine RCH services, on the magnitude of staff workload in RCH clinics. The study was conducted in 60 health facilities identified from five regions that had participated in the pilot phase of PMTCT implementation in the Mainland Tanzania. The average staff workload was calculated from staff‐load obtained from attendance records and activity‐time obtained by direct observation; and staff‐time from records that were kept at the clinic. The average staff workload was found to be 50.5% (8–147%) for facilities providing PMTCT of HIV infection and 37.8% (11–82%) for facilities without PMTCT services. The average staff workload was computed on the assumption that all clients attending various antenatal clinics received PMTCT services from trained staff only and the result revealed staff workload of 87.2%. This study concludes that services for PMTCT of HIV infection can easily be scaled‐up and integrated into RCH services using the already existing staff. In the wake of the human resource crisis in the health sector in developing countries, strategies to address the problem will need to go beyond numbers to address issues of staff productivity and their distribution. Copyright © 2008 John Wiley & Sons, Ltd.
Clinical leadership: the elephant in the room
Authors: Edmonstone John
Published: September 2008

The article explores the concept of clinical leadership in the National Health Service in the UK by seeking to establish a workable definition and by contrasting it with managerial leadership, focussing on the ‘disconnected hierarchy’ in professional organizations. It proposes that the problems faced by clinical leadership relate to the current nature of general management in the NHS and concludes by suggesting that clinical leadership is the ‘elephant in the room’—often ignored or unaddressed. Copyright © 2008 John Wiley & Sons, Ltd.
Hexagonal micron scale pillars influence epithelial cell adhesion, morphology, proliferation, migration, and cytoskeletal arrangement
Authors: Nematollahi M. , Hamilton D.W. , Jaeger N.J. , Brunette D.M.
Published: September 2008

A desirable attribute of implants penetrating epithelium is the inhibition of downward epithelial migration. Simple grooved topographies can inhibit this migration either directly or indirectly by promoting connective tissue attachment, but few studies have focused on the direct effect of geometrically complex topographies on epithelial behavior. Therefore, we examined the influence of novel topographies comprising square floors surrounded by six‐sided pillars on periodontal ligament epithelial cell adhesion, morphology, cytoskeletal organization, and migration. Relative to cells on smooth surface, epithelial cells on the pillar substrata adhered closely, exhibited reduced proliferation, had a reduced velocity, but higher persistence. Vinculin staining demonstrated that cells formed mature adhesions on the pillar tops, but smaller punctate adhesion in the gaps and on the pillar walls. Overall more mature adhesions were found on pillars compared to smooth surfaces, which may account for the reduced speed of migration limited on the pillars. F‐actin stress fibers were predominantly found on pillar tops within 6 h, whereas microtubules (MTs) had a tendency to form in the gaps between the six‐sided pillars. In conclusion, microfabricated pillars altered epithelial migration in ways that could prove useful in inhibition of epithelial downward migration on transmucosal implants. © 2008 Wiley Periodicals, Inc. J Biomed Mater Res 2009
3,4,5‐trihydroxybenzaldehyde from Geum japonicum has dual inhibitory effect on matrix metalloproteinase 9; inhibition of gelatinoytic activity as well as MMP‐9 expression in TNF‐α induced HASMC
Authors: Suh Seok‐Jong , Cho Kang Jin , Moon Tae Chul , Chang Hyeun‐Wook , Park Young‐Guk , Kim Cheorl‐Ho
Published: September 2008

The matrix metalloproteinases (MMP‐9 and MMP‐2) production and smooth muscle cell (SMC) migration may play key roles in the pathogenesis of atherosclerotic lesions. In particular, the cancer cell invasion and SMC migration through vascular wall were shown to be directly associated with inducible MMP‐9 expression. Previously, 3,4,5‐trihydoroxybenzaldehyde (THBA) was purified from Geum japonicum and we demonstrated a direct inhibition effect of THBA on MMP‐9 and MMP‐2 activity in the supernatants of TNF‐α‐induced HASMCs. In addition, MMP‐9 expression and migration was suppressed by THBA in the TNF‐α‐induced HASMCs. In this study, we also investigated whether TNF‐α‐induced MMP‐9 expressions are involved with migrations of HASMCs by using cell signal inhibitors and MMP‐9 inhibitors. An RT‐PCR and luciferase‐tagged promoter analysis revealed that THBA inhibits the transcription of MMP‐9 mRNA. Moreover, an electrophoretic mobility shift assay (EMSA) exhibited that THBA also suppressed DNA binding of nuclear factor (NF)‐κB and activator protein (AP)‐1 transcription factors. Furthermore, Western blot analysis indicated TNF‐α‐induced phosphorylation of extracellular signal regulated kinase 1 and 2 (ERK1/2), p38 and c‐Jun N‐terminal kinase (JNK) were inhibited by THBA. Taken together, we suggest that THBA has inhibition effect to the migrations as well as MMP‐2 and MMP‐9 activities in HASMCs. Especially gelatinolytic activity was controlled by enzymatic inhibition of MMP‐2 and MMP‐9, and also down‐regulated MMP‐9 transcription via mitogen‐activated protein kinase (MAPK) pathways in THBA treated HASMCs. J. Cell. Biochem. 105: 524–533, 2008. © 2008 Wiley‐Liss, Inc.
Human embryonic stem cell registries: Value, challenges and opportunities
Authors: Luong Mai X. , Smith Kelly P. , Stein Gary S.
Published: September 2008

The accelerating pace of human embryonic stem cell (hESC) research has created an urgent need for the development of hESC registries, information repositories intended to gather, organize and disseminate hESC information. Although of enormous value to this evolving field, registries face significant challenges to their development. These challenges include addressing the legal and ethical issues surrounding hESC derivation as well as complex intellectual property concerns. In addition to these issues, registries must develop tools to efficiently gather, validate and present many different types of hESC information from a variety of sources. Given the pace and regulatory complexities of this field, it is important that registries develop cooperative mechanisms to avoid duplication and more efficiently support hESC research. J. Cell. Biochem. 105: 625–632, 2008. © 2008 Wiley‐Liss, Inc.
Crosstalk between c‐Myc and ribosome in ribosomal biogenesis and cancer
Authors: Dai Mu‐Shui , Lu Hua
Published: September 2008

Protein production is driven by protein translation and relies on ribosomal biogenesis, globally essential for cell growth, proliferation, and animal development. Deregulation of these sophisticated cellular processes leads to abnormal homeostasis and carcinogenesis. Thus, their tight regulation is vitally important for a cell to warrant normal growth and proliferation. One newly identified key regulator for ribosomal biogenesis and translation is the oncoprotein c‐Myc, whose aberrantly excessive level and activity are highly associated with human cancers, too. Recently, we have shown that ribosomal protein L11 functions as a feedback regulator of c‐Myc. Hence, in this review, we will provide some prospects on the interplay between c‐Myc and ribosomal proteins during ribosomal biogenesis and discuss its implications in cancer. J. Cell. Biochem. 105: 670–677, 2008. © 2008 Wiley‐Liss, Inc.
Membrane receptor‐initiated signaling in 1,25(OH)2D3‐stimulated calcium uptake in intestinal epithelial cells
Authors: Khanal Ramesh C. , Peters Tremaine M. Sterling , Smith Nathan M. , Nemere Ilka
Published: September 2008

Demonstrating 1,25(OH)2D3‐stimulated calcium uptake in isolated chick intestinal epithelial cells has been complicated by simultaneous enhancement of both uptake and efflux. We now report that in intestinal cells of adult birds, or those of young birds cultured for 72 h, 1,25(OH)2D3‐stimulates 45Ca uptake to greater than 140% of corresponding controls within 3 min of addition. Such cells have lost hormone‐stimulated protein kinase C (PKC) activity, believed to mediate calcium efflux. To further test this hypothesis, freshly isolated cells were preincubated with calphostin C, and calcium uptake monitored in the presence or absence of steroid. Only cells treated with the PKC inhibitor demonstrated a significant increase in 45Ca uptake in response to 1,25(OH)2D3, relative to corresponding controls. In addition, phorbol ester was shown to stimulate efflux, while forskolin stimulated uptake. To further investigate the mechanisms involved in calcium uptake, we assessed the role of TRPV6 and its activation by β‐glucuronidase. β‐Glucuronidase secretion from isolated intestinal epithelial cells was significantly increased by treatment with 1,25(OH)2D3, PTH, or forskolin, but not by phorbol ester. Treatment of cells with β‐glucuronidase, in turn, stimulated 45Ca uptake. Finally, transfection of cells with siRNA to either β‐glucuronidase or TRPV6 abolished 1,25(OH)2D3‐enhanced calcium uptake relative to controls transfected with scrambled siRNA. Confocal microscopy further indicated rapid redistribution of enzyme and calcium channel after steroid. 1,25(OH)2D3 and PTH increase calcium uptake by stimulating the PKA pathway to release β‐glucuronidase, which in turn activates TRPV6. 1,25(OH)2D3‐enahnced calcium efflux is mediated by the PKC pathway. J. Cell. Biochem. 105: 1109–1116, 2008. © 2008 Wiley‐Liss, Inc.
Egr‐1 and serum response factor are involved in growth factors‐ and serum‐mediated induction of E2‐EPF UCP expression that regulates the VHL‐HIF pathway
Authors: Lim Jung Hwa , Jung Cho‐Rok , Lee Chan‐Hee , Im Dong‐Soo
Published: September 2008

E2‐EPF ubiquitin carrier protein (UCP) has been shown to be highly expressed in common human cancers and target von Hippel‐Lindau (VHL) for proteosomal degradation in cells, thereby stabilizing hypoxia‐inducible factor (HIF)‐1α. Here, we investigated cellular factors that regulate the expression of UCP gene. Promoter deletion assay identified binding sites for early growth response‐1 (Egr‐1) and serum response factor (SRF) in the UCP promoter. Hepatocyte or epidermal growth factor (EGF), or phorbol 12‐myristate 13‐acetate induced UCP expression following early induction of Egr‐1 expression in HeLa cells. Serum increased mRNA and protein levels of SRF and UCP in the cell. By electrophoretic mobility shift and chromatin immunoprecipitation assays, sequence‐specific DNA‐binding of Egr‐1 and SRF to the UCP promoter was detected in nuclear extracts from HeLa cells treated with EGF and serum, respectively. Overexpression of Egr‐1 or SRF increased UCP expression. RNA interference‐mediated depletion of endogenous Egr‐1 or SRF impaired EGF‐ or serum‐mediated induction of UCP expression, which was required for cancer cell proliferation. Systemic delivery of EGF into mice also increased UCP expression following early induction of Egr‐1 expression in mouse liver. The induced UCP expression by the growth factors or serum increased HIF‐1α protein level under non‐hypoxic conditions, suggesting that the Egr‐1/SRF‐UCP‐VHL pathway is in part responsible for the increased HIF‐1α protein level in vitro and in vivo. Thus, growth factors and serum induce expression of Egr‐1 and SRF, respectively, which in turn induces UCP expression that positively regulates cancer cell growth. J. Cell. Biochem. 105: 1117–1127, 2008. © 2008 Wiley‐Liss, Inc.
Conformational dependence of charges in protein simulations
Authors: Söderhjelm Pär , Ryde Ulf
Published: September 2008

We have studied the conformational dependence of molecular mechanics atomic charges for proteins by calculating the charges fitted to the quantum mechanical (QM) electrostatic potential (ESP) for all atoms in complexes between avidin and seven biotin analogues for 20 snapshots from molecular dynamics simulations. We have studied how various other charge sets reproduce those charges. The QM charges, even if averaged over all snapshots or all residues, in general have a larger magnitude than standard Amber charges, indicating that the restraint toward zero in the restrained ESP method is too strong. This has a significant influence on the electrostatic conformational energies and the interaction energy between the biotin ligand and the protein, giving a difference between the QM and Amber charges of 43 and 8 kJ/mol for the negatively charged and neutral biotin analogues, respectively (3–4%). However, this energy difference is strongly reduced if the solvation energy (calculated by the Poisson–Boltzmann or Generalized Born methods) is added, viz., to 7 kJ/mol for charged and 3 kJ/mol for uncharged ligand. In fact, charges need to be recalculated with a QM method only for residues within 7 or 4 Å of the ligand, if the error should be less than 4 kJ/mol. Unfortunately, the QM charges do not give significantly better MM/PBSA estimates of ligand‐binding affinities than standard Amber charges. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2009
Internal jugular vein valve incompetence in COPD and primary pulmonary hypertension
Authors: Doepp Florian , Bähr Dieter , John Matthias , Hoernig Sören , Valdueza José M. , Schreiber Stephan J.
Published: September 2008

Purpose.

Under physiologic conditions, intact internal jugular vein valves (IJVVs) efficiently prevent retrograde venous flow during intrathoracic pressure increase. Chronically elevated central venous pressure found in patients with chronic obstructive pulmonary disease (COPD) and primary pulmonary hypertension (PPH) might lead to IJVV incompetence (IJVVI). The aim of this study was to analyze the prevalence of IJVVI in patients with COPD and PPH using duplex sonography (DUS).

Method.

We included 30 COPD patients, 5 PPH patients, and 100 healthy controls in the study. IJVVI was diagnosed if retrograde jugular blood flow was seen on DUS during a Valsalva maneuver. Retrograde venous flow intensity was evaluated and graded according to extent and duration of reflux.

Results.

IJVVI was found in 18 (60%) COPD patients and in all 5 (100%) PPH patients, which was significantly different from the controls (27%; p < 0.005). The intensity of venous retrograde flow correlated with the pulmonary artery pressure.

Conclusion.

Compared with healthy controls, COPDand PPH patients demonstrated a significantlygreater prevalence of IJVVI, which seems to be caused by the elevated central venous pressure. These patients may be at higher risk to develop central nervous system diseases related to cerebral outflow obstruction. © 2008 Wiley Periodicals, Inc. J Clin Ultrasound, 2008.
Performance of electrospun nanofibers for SPE of drugs from aqueous solutions
Authors: Kang Xue‐jun , Chen Li‐qin , Zhang Yi‐yun , Liu Yang‐wei , Gu Zhong‐ze
Published: September 2008

A novel extraction technique was reported. The solid phase material, nanofiber, was prepared by electrospinning using polystyrene. Twenty different drugs (10 μg/L in water) were extracted using 1 mg of nanofibers within 5 min. The analytes can be desorpted from the fibers with 50 μL of the methanol and then monitored by LC coupled to a UV detector. Packed‐fiber SPE (PFSPE) provide high recoveries (>50%) for some relatively non‐polar drugs (log P >1.5) (n‐octanol‐to‐water partition ratio), and relatively low recoveries (9.9–39.8%) for the drugs within the log P window below 1. Experimental optimization of the technique has been carried out using seven representative drugs, edaravone, cinchonine, quinine, voriconazole, chlordiazepoxide, verapamil, and rutonding. Except for edaravone, the maximum yields of seven drugs (0.2 μg/L) from water samples were approximately 100%, and were 33.7–88.2% from human plasma. The advantageous aspect of the technique encompasses high throughput, high sensitivity, simplicity, low cost, and green chemistry.
Separation of strontium ions from a simulated highly active liquid waste using a composite of silica‐crown ether in a polymer
Authors: Zhang Anyun , Wang Weihong , Chai Zhifang , Kumagai Mikio
Published: September 2008

To partition Sr(II) from highly active liquid waste (HLW), a macroporous silica‐based 4,4′,(5′)‐di(t‐butylcyclohexano)‐18‐crown‐6 (DtBuCH18C6)‐tri‐n‐butyl phosphate (TBP) polymeric composite, (DtBuCH18C6+TBP)/SiO2‐P, was synthesized. It was done by impregnation and immobilization of DtBuCH18C6 and TBP into the pores of the SiO2‐P particles, where DtBuCH18C6 was modified with TBP. The sorption of Sr(II) and some co‐existent elements contained in a simulated HLW onto (DtBuCH18C6+TBP)/SiO2‐P was investigated at 323 K. It was found that in 2.0 M HNO3, Sr(II) exhibited strong sorption ability and high selectivity over all the tested metals except Ba(II). Chromatographic partitioning of Sr(II) from 2.0 M HNO3 containing 5 mM of the tested elements was performed by (DtBuCH18C6+TBP)/SiO2‐P packed column. La(III), Y(III), Na(I), K(I), Cs(I), Ru(III), Mo(VI), and Pd(II) had almost no sorption and flowed into effluent along with 2.0 M HNO3. Sr(II) adsorbed strongly by (DtBuCH18C6+TBP)/SiO2‐P was then eluted effectively by water, while Ba(II) flowed into effluent along with Sr(II) due to the similar chemical properties. In addition, the bleeding of total organic carbon in aqueous phase was evaluated. The results demonstrated that in 2.0 M HNO3, application of the macroporous silica‐based DtBuCH18C6 polymeric composite in chromatographic partitioning of Sr(II) from the simulated HLW is feasible.
Nanostructuration of Unsaturated Polyester by All‐Acrylic Block Copolymers, 1 ‐ Use of High‐Molecular‐Weight Block Copolymers
Authors: Serrano Elena , Gerard Pierre , Lortie Frederic , Pascault Jean‐Pierre , Portinha Daniel
Published: September 2008

Nanostructuration of maleate and orthophthalic unsaturated polyester (UP) resins was achieved by the use of high molecular weight amphiphilic PBA‐b‐P(MMA‐co‐DMA)2 triblock copolymers. PBA is fully immiscible in cured UP resins, and the miscibility of P(MMA‐co‐DMA) random copolymers can be ensured with a minimum DMA content of 12 mol‐%. When using the triblock copolymers, fully transparent and nanostructured thermosets are obtained with a minimum DMA content in the outer blocks; the value of which is higher than 12 mol‐% and depends on the UP chemical structure. Finally, the fracture toughness of nanostructured thermoset was evaluated: for a triblock copolymer content as low as 5 wt.‐%, a 50% increase of KIc was obtained, as compared to the neat thermoset.

magnified image
Fabrication of a Practical and Polymer‐Rich Organic Radical Polymer Electrode and its Rate Dependence
Authors: Suguro Masahiro , Iwasa Shigeyuki , Nakahara Kentaro
Published: September 2008

A practical and polymer‐rich organic radical cathode that contains 80 wt.‐% poly(4‐vinyloxy‐2,2,6,6‐tetramethylpiperidine‐N‐oxyl) (PTVE) and 15 wt.‐% vapor‐grown carbon fiber (VGCF) has been fabricated. The PTVE/VGCF composite electrode shows a reversible redox peak at 3.56 V (vs Li/Li+) in cyclic voltammetry. A coin‐type cell with the PTVE/VGCF composite electrode as the cathode and lithium metal as the anode has also been fabricated and used for charge/discharge measurements. When the cell was discharged at 0.3 mA · cm−2 (1 C), a capacity of 104 mAh · g−1, which is 77% of PTVE's theoretical capacity (135 mAh · g−1), was obtained. When it was discharged at 9.0 mA · cm−2 (30 C), its capacity was 52% of the capacity it had when it was discharged at 0.3 mA · cm−2 (1 C). Even when discharged at 24 mA · cm−2 (80 C), it surprisingly had 32% of the capacity it had when discharged at 0.3 mA · cm−2. The observed rate dependence shows that the polymer‐rich electrode could discharge over 50% of the cell capacity in two minutes and over 30% within one minute.

magnified image
Computer Aided Modeling of Polymer Reaction Engineering—The Status of Predici, I‐Simulation
Authors: Wulkow Michael
Published: September 2008

Over the last decade, the simulation package Predici has evolved from a solver for population balances describing molecular weight distributions in polymer reaction kinetics to a comprehensive tool for nearly all kinds of polymer processes. The key to Predici's wide‐spread applicability might be its modular implementation reflecting the underlying mathematical concepts. Thus an overview on the current status of Predici and its applications has to start with a detailed description of the mathematical techniques and algorithms behind Predici. The second part of the article presents typical applications and modeling approaches including recent extensions of the algorithm and references to publications. A comprehensive appendix provides additional balances of the implementation.

magnified image
An overlapping domain decomposition method for the simulation of elastoplastic incremental forming processes
Authors: Brunssen Stephan , Wohlmuth B.
Published: September 2008

The implicit finite element (FE) simulation of incremental metal cold forming processes is still a challenging task. We introduce a dynamic, overlapping domain decomposition method to reduce the computational cost and to circumvent the need for sophisticated remeshing procedures. The two FE domains interchange information using the elastoplastic operator split and the mortar method. Copyright © 2008 John Wiley & Sons, Ltd.
Leading educational change using a neuropsychological Response‐to‐intervention approach: Linking our past, present, and future
Authors: Witsken Deborah , Stoeckel Amanda , D'Amato Rik Carl
Published: September 2008

Neuropsychology may be described as the study of brain‐behavior relationships (National Academy of Neuropsychology [NAN], 2001). Clinical neuropsychology represents the application of knowledge of the intricacies of these relationships to individual cases. Several authors have advocated for the application of neuropsychology to the public schools, a specialty some have called “school neuropsychology” (D'Amato, 1990; Hynd & Obrzut, 1981). This area of study represents the application of neuropsychological knowledge to help understand (a) childhood behavior, (b) individual student strengths and needs, (c) how students learn, and (d) how teaching can be linked to brain‐based instructional practices (D'Amato, Fletcher‐Janzen, & Reynolds, 2005b; Hale & Fiorello, 2004; Sousa, 2006). Since the term was initially introduced by Hynd and Obrzut, considerable debate has arisen regarding training, credentialing, and the professional identity of this specialty (Crespi & Cooke, 2003; Parrish, 2005; Pelletier, Hiemenz, & Shapiro, 2004). This article briefly reviews the history of neuropsychology applied to work with children, describes credentialing and training of professionals trained in both school psychology and neuropsychology, presents models of applying neuropsychology within the school setting, and outlines potential benefits of using a neuropsychologically based Response‐to‐Intervention model in the schools. © 2008 Wiley Periodicals, Inc.
School neuropsychology consultation in neurodevelopmental disorders
Authors: Decker Scott L.
Published: September 2008

The role of school psychologists with training in neuropsychology is examined within the context of multitiered models of service delivery and educational reform policies. An expanded role is suggested that builds on expertise in the assessment of neurodevelopmental disorders and extends to broader tiers through consultation practice. Changes in federal legislation to allow more flexible approaches toward assessment are viewed as a catalyst toward the integration of neuropsychological practice in school‐based practice. As a set of priorities, recommendations are made for reforming assessment practice in schools, linking neuropsychological test results to academic treatment outcomes, and developing consultation practice with parents and teachers for early identification purposes and to integrate school‐based services with community mental health services. © 2008 Wiley Periodicals, Inc.
Integrating Response to Intervention (RTI) with neuropsychology: A scientific approach to reading
Authors: Feifer Steven G.
Published: September 2008

This article integrates the fundamental components of both Response to Intervention (RTI) and cognitive neuropsychology when identifying reading disorders in children. Both proponents of RTI and cognitive neuropsychology agree the discrepancy model is not a reliable or valid method to identify learning disorders in school. In addition, both proponents of RTI and cognitive neuropsychology agree that earlier intervention and the use of evidence‐based intervention techniques must permeate the thinking behind any educational reform. Lastly, both proponents of RTI and cognitive neuropsychology concur with the National Reading Panel's (2000) five core components of the reading process. Given the similarities between RTI and neuropsychological models of reading, a more integrative assessment model will be introduced to better diagnose and remediate subtypes of reading disorders in children. In summary, it is the author's belief that cognitive neuropsychology will emerge as the leading discipline in forging the inevitable alliance between science and education. © 2008 Wiley Periodicals, Inc.
Reasons and rationales for neuropsychological tests in a multitier system of school services
Authors: Schmitt Ara J. , Wodrich David L.
Published: September 2008

Many contemporary learning disabilities (LD) experts advocate a multitiered service delivery system. Included in this formulation is the obligation to deliver for each struggling student increasingly sophisticated and intensive services before special education is considered. For students who evidence failed response to intervention, an evaluation, suggested by some to comprise minimal cognitive and extensive achievement testing, typically ensues and helps to determine special education eligibility. We argue that neuropsychological tools are essential at this point in the process. In contrast to minimal standardized testing, use of these tools permits school psychologists to perform their most important mission – to understand, predict, and control (improve) student behavior and development by identifying learning syndromes, rather than discrete academic deficits. This article argues for neuropsychological tests as a way for school psychologists to recognize patterns of learning problems reported in the peer‐reviewed literature, which in turn promotes effective planning and intervention. © 2008 Wiley Periodicals, Inc.
Effect of Surface Free Energy on the Flowability of Lactose Powder Treated by PECVD
Authors: Spillmann Adrian , Sonnenfeld Axel , Rudolf von Rohr Philipp
Published: September 2008

The surface of microscopic lactose particles was modified by gas phase reactions occurring during a PECVD process to improve the flow behavior of the powder. The particulates were exposed to a capacitively coupled O2/Ar/HMDSO RF discharge in a down stream reactor by varying the gas composition and the RF power. The flowability and the surface free energy of the powders were determined by a ring shear tester and by a tensiometer, respectively. Based thereon, the change in surface free energy was determined not to be the dominating factor for the significantly enhanced flowability of the plasma‐treated powder. Rather, the flowability improvement is supposed to be affected principally by the plasma‐induced change in particle surface roughness.

magnified image
Plasma Process. Polym. 7/2008
Authors: Girard‐Lauriault Pierre‐Luc , Desjardins Patrick , Unger Wolfgang E. S. , Lippitz Andreas , Wertheimer Michael R.
Published: September 2008

Back Cover: The cover illustration shows a schematic diagram of the dielectric barrier discharge system (top left) used to deposit plasma polymer films with high concentrations of nitrogen‐containing functional groups. Also shown are NEXAFS spectra (top right) and FTIR spectra (bottom left) used for semiquantitative analysis of nitrile functionalities (bottom right), where excellent agreement may be noted. Further details can be found in the article by P.‐L. Girard‐Lauriault, P. Desjardins, W. E. S. Unger,* A Lippitz, and M. R. Wertheimer* on page 631.
Effects of chlorinated aromatic solvents on the dispersion of HiPco SWNTs
Authors: Cheng Qiaohuan , Debnath Sourabhi , Gregan Elizabeth , Byrne Hugh James
Published: September 2008

A systematic study of the effect of chlorinated aromatic solvents such as monochlorobenzene (MCB), 1,2‐dichlorobenzene (o‐DCB), 1,3‐dichlorobenzene (m‐DCB) and 1,2,4‐trichlorobenzene (TCB) on the dispersion of HiPco SWNTs has been conducted. UV‐Vis‐NIR absorption spectroscopy coupled with an integrating sphere is employed to differentiate absorbance and scattering. An investigation of the effect of sonication time on sample preparation shows that sonication has a significant effect on the dispersion of SWNTs in organic solvents. The effect of centrifugation of the samples is also explored. For each solvent, a concentration dependent study demonstrates a clear transition between aggregates and dispersed tubes. A critical examination of the efficacy of the solvents in dispersing and solubilising the nanotubes is presented. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
“In situ” observations of carbon nanotube generation in CVD cell coupled to spectrometers
Authors: Bachmatiuk A. , Steplewska A. , Borowiak‐Palen E. , Kalenczuk R. J.
Published: September 2008

Preliminary results of Raman spectroscopy are presented on “in situ” growth of carbon nanotubes in a CVD‐cell which is optionally coupled to a mass spectrometer (MS). The system allows to analyze the differences in the content of the types of carbon nanotubes in the sample during the processes after 2 min, 5 min, 10 min, 15 min, 20 min and 30 min. The evolved gases in the throughout synthesis were analyzed in the MS mode. Two kinds of experiments were performed: in argon atmosphere at atmospheric pressure and under vacuum at low pressure, both with CH4 as a carbon feedstock. The temperature of the experiments was set up to 600 °C. The detailed study of the process can lead to a better understanding of the carbon nanotube growth mechanism. The analysis of these phenomena is supported by high resolution transmission electron microscopy (HR‐TEM). In addition, thermogravimetric analyses of the finally obtained products in the two experiments are presented. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Pressure‐induced phase transitions in silicon studied by neural network‐based metadynamics simulations
Authors: Behler Jörg , Martoňák Roman , Donadio Davide , Parrinello Michele
Published: September 2008

We present a combination of the metadynamics method for the investigation of pressure‐induced phase transitions in solids with a neural network representation of high‐dimensional density‐functional theory (DFT) potential‐energy surfaces. In a recent illustration of the method for the complex high‐pressure phase diagram of silicon [Behler et al., Phys. Rev. Lett. 100, 185501 (2008)] we have shown that the full sequence of phases can be reconstructed by a series of subsequent simulations. In the present paper we give a detailed account of the underlying methodology and discuss the scope and limitations of the approach, which promises to be a valuable tool for the investigation of a variety of inorganic materials. The method is several orders of magnitude faster than a direct coupling of metadynamics with electronic structure calculations, while the accuracy is essentially maintained, thus providing access to extended simulations of large systems. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)