bluuebunny/crossref_metadata_2025 huggingface dataset:
A psychometric evaluation of the clinician‐rated Quick Inventory of Depressive Symptomatology (QIDS‐C16) in patients with bipolar disorder
Authors: Bernstein Ira H. , Rush A. John , Suppes Trisha , Trivedi Madhukar H. , Woo Ada , Kyutoku Yasushi , Crismon M. Lynn , Dennehy Ellen , Carmody Thomas J.
Published: June 2009

The clinician‐rated, 16‐item Quick Inventory of Depressive Symptomatology (QIDS‐C16) has been extensively evaluated in patients with major depressive disorder (MDD). This report assesses the psychometric properties of the QIDS‐C16 in outpatients with bipolar disorder (BD, N = 405) and MDD (N = 547) and in bipolar patients in the depressed phase only (BD‐D) (N = 99) enrolled in the Texas Medication Algorithm Project (TMAP) using classical test theory (CTT) and the Samejima graded item response theory (IRT) model.

Values of coefficient alpha were very similar in BD, MDD, and BD‐D groups at baseline (α = 0.80–0.81) and at exit (α = 0.82–0.85). The QIDS‐C16 was unidimensional for all three groups. MDD and BD‐D patients (n = 99) had comparable symptom levels. The BD‐D patients (n = 99) had the most, and bipolar patients in the manic phase had the least depressive symptoms at baseline. IRT analyses indicated that the QIDS‐C16 was most sensitive to the measurement of depression for both MDD patients and for BD‐D patients in the average range.

The QIDS‐C16 is suitable for use with patients with BD and can be used as an outcome measure in trials enrolling both BD and MDD patients. Copyright © 2009 John Wiley & Sons, Ltd.
Trennung mit Licht
Authors: Haisch Christoph
Published: June 2009

Photophorese bezeichnet die Bewegung von Partikeln unter dem Einfluss von Licht. Obwohl der Effekt seit mehr als 80 Jahren bekannt ist, gibt es bisher kaum Anwendungen in der analytischen Chemie. Dabei lassen sich über photophoretische Kräfte nicht nur optische und thermische Eigenschaften einzelner Partikel charakterisieren, sondern die Partikel lassen sich nach diesen Eigenschaften auch trennen.
Achema 2009
Authors: Zbikowski Frauke
Published: June 2009

Die zweitstärkste Ausstellergruppe nach den Herstellern von Pumpen, Kompressoren und Armaturen waren auf der Achema mit etwa 700 Ausstellern die Anbieter von Labor‐ und Analysentechnik. Bei den Geräten gehen die Trends in Richtung Geschwindigkeit, Automatisierung und einfacher Bedienung.
Mixed piezoelectric plate elements with direct evaluation of transverse electric displacement
Authors: Carrera E. , Nali P.
Published: June 2009

A mixed variational statement for the analysis of layered structures under the effect of mechanical and electrical fields is proposed in this paper to develop finite plate elements that permit the direct evaluation of transverse electrical displacement Dz. The original Reissner mixed variational theorem, RMVT, has been modified to account for ‘only’ interlaminar continuous Dz. Continuity of mechanical variables, such as transverse shear and normal stress components, has been discarded to provide a simple ‘electrical’ modified RMVT, here called RMVT‐Dz. Finite element implementations are made via the Carrera unified formulation. The advantages of the proposed approach have been demonstrated through numerical comparisons with classical formulations based on the principle of virtual displacements as well as with available 3D solutions. Copyright © 2009 John Wiley & Sons, Ltd.
Effect of immobilization of polysaccharides on the biocompatibility of poly(butyleneadipate‐co‐terephthalate) films
Authors: Jao Win‐Chun , Lin Chien‐Hong , Hsieh Jui‐Yuan , Yeh Yi‐Hsing , Liu Chia‐Yi , Yang Ming‐Chien
Published: June 2009

Aiming to improve the hydrophilicity, antibacterial activity, cytocompatibility, and hemocompatibility of poly(butyleneadipate‐co‐terephthalate) (PBAT) films, PBAT films were treated with ozone, grafted with chitosan (CS), and followed by covalent immobilization of either heparin (HEP) or hyaluronic acid (HA). The surface graft density of modified PBAT films was detected by X‐ray photoelectron spectroscopy (XPS) and dyeing. The surface roughness of PBAT films was measured using an atomic force microscope (AFM). After immobilizing CS, PBAT films acquired antibacterial activity against Staphylococcus aureus and Escherichia coli. The adsorption of human serum albumin (HSA) and human plasma fibrinogen (HPF) on PBAT–CS–HEP and PBAT–CS–HA films was lower compared to that of native PBAT. Moreover, HEP immobilization could effectively reduce platelet adhesion and prolong the blood coagulation time, thereby improving the blood compatibility of PBAT. In addition, the growth of L929 fibroblasts was improved for HEP or HA immobilized PBAT, suggesting this surface modification was non‐cytotoxic. Furthermore, PBAT–CS–HEP and PBAT–CS–HA exhibited higher cell proliferation than native PBAT. Copyright © 2009 John Wiley & Sons, Ltd.
Adverse drug reaction active surveillance: developing a national network in Canada's children's hospitals
Authors: Carleton BC , Poole RL , Smith MA , Leeder JS , Ghannadan R , Ross CJD , Phillips MS , Hayden MR
Published: June 2009

Purpose

Adverse drug reactions (ADRs) rank as the fifth leading cause of death in the western world. The nature and scope of these ADRs in children are not predictable based on post market surveillance reports that rely heavily on adult drug experience. The genotype‐specific approaches to therapy in childhood (GATC) national ADR network was established to identify specific ADRs and to improve drug safety through identification of predictive genomic biomarkers of drug risk.

Methods

GATC set out to establish a national network of trained surveillance clinicians in pediatric hospitals across Canada. Surveillance clinicians identified, enrolled, and collected clinical data and biological samples from ADR cases and controls. Surveillance was targeted to three ADRs: anthracycline‐induced cardiotoxicity, cisplatin‐induced hearing impairment, and codeine‐induced mortality in breastfed infants.

Results

The initial surveillance site was established in September 2005, with 10 sites fully operational by 2008. In 3 years, GATC enrolled 1836 ADR cases and 13188 controls. Target numbers were achieved for anthracycline‐induced cardiotoxicity. Modified target numbers were nearly attained for cisplatin‐induced hearing impairment. Codeine‐induced infant mortality in a breastfed infant was discovered by GATC investigators. A case–control study was subsequently conducted.

Conclusion

GATC has demonstrated a model of active and targeted surveillance that builds an important step toward the goal of personalized medicine for children. Effective communication, site‐specific solutions and long‐term sustainability across the network are critical to maintain participation and productivity. GATC may provide a framework of ADR surveillance that can be adapted by other countries and healthcare systems. Copyright © 2009 John Wiley & Sons, Ltd.
Use of antirheumatic drugs in mothers and fathers before and during pregnancy—a population‐based cohort study
Authors: Viktil Kirsten K , Engeland Anders , Furu Kari
Published: June 2009

Purpose

Exploring the use of antirheumatic drugs in pregnant women and expectant fathers.

Methods

Population‐based cohort study, based on linkage of two nationwide databases: the Norwegian Prescription Database was linked to data on 106 000 pregnancies during 2004–2006 from the Medical Birth Registry of Norway. Antirheumatic drugs dispensed to mothers 3 months prior to conception, during pregnancy, and up to 6 months after delivery, and prescriptions to fathers 3 months prior to conception were identified.

Results

During the 18‐month observation period for each pregnancy, 1411 women (1.3% of the women) redeemed at least one antirheumatic drug. Of these, 45% received at least one drug during 3 months prior to conception and 28% in the first trimester. Four women redeemed prescriptions for methotrexate during the 3 months prior to conception, and two women did so during the pregnancy. One of the four women on leflunomide, received the drug 3 months before conception, and two of them during the first trimester. Among the women using etanercept, 19 women redeemed the prescription 3 months before pregnancy, 11 during the first trimester, one in both the second and third trimesters. Three months prior to conception, 837 expecting fathers (0.8%) redeemed at least one prescription: 40 had sulfasalazin, 36 methotrexate and 28 had biological drugs.

Conclusion

Three women redeemed leflunomide or methotrexate, which have known teratogenic effects, during their first trimester. While there are high levels of awareness about maternal drug use in pregnancy, drug exposure in fathers shortly before conception should be further explored. Copyright © 2009 John Wiley & Sons, Ltd.
Quality circles to improve prescribing of primary care physicians. Three comparative studies
Authors: Wensing Michel , Broge Björn , Riens Burgi , Kaufmann‐Kolle Petra , Akkermans Reinier , Grol Richard , Szecsenyi Joachim
Published: June 2009

Purpose

To determine the effectiveness of quality circles on prescribing patterns of primary care physicians in Germany and to explore the influence of specific factors on changes.

Methods

Three large non‐randomised comparative studies were performed in primary care in Germany, with baseline measurements in 2001 and follow‐up measurements in 2003. 1090 physicians were in intervention groups and 2090 physicians in control groups. For each physician, data on 444 patients and 1201 prescriptions were available, on average, at each measurement moment. Quality circles comprising of a series of small group moderated meetings of physicians, provision of evidence‐based information and repeated written feedback on individual prescribing patterns.

Results

Compared to the control groups, physicians in the intervention groups reduced mean prescription cost per patient per 3‐month period by 1.87 € (95%CI 0.51 to 3.22), increased generic drugs of all potentially generic prescriptions by 0.75% (95%CI 0.40 to 1.10), increased prescription of recommended lipid lowering drugs by 4.24% (95%CI 2.40 to 6.10), increased the prescription of recommended antibiotics by 1.72% (95%CI 0.33 to 3.10). Groups with more positive views of performance feedback, evidence‐based indicators and price comparisons showed more change of prescribing.

Conclusions

Quality circles had a modest effect on prescribing quality and costs. If widely implemented, they could have nationwide impact on the quality and costs of prescribing in primary care. Copyright © 2009 John Wiley & Sons, Ltd.
Miglustat (Zavesca®) in type 1 Gaucher disease: 5‐year results of a post‐authorisation safety surveillance programme
Authors: Hollak Carla E. M. , Hughes Derralynn , van Schaik Ivo N. , Schwierin Barbara , Bembi Bruno
Published: June 2009

Purpose

Miglustat (Zavesca®) is an orally‐available substrate reduction therapy (SRT) for treatment of mild‐to‐moderate type 1 Gaucher disease (GD1) in adult patients unsuitable for enzyme replacement therapy (ERT). Miglustat has not been evaluated in children with GD1, and is not used during pregnancy and breast‐feeding. A non‐interventional, prospective, web‐based safety surveillance programme was initiated at the time of the European launch of miglustat in 2003, and is ongoing. We report the first 5 years of collected data, focusing on neurological manifestations.

Methods

Data were collected on 122 GD1 patients between March 2003 and April 2008, representing 244 patient‐years cumulative miglustat post‐authorisation experience. The electronically‐captured data collected from participating physicians includes patient demographics, prior and current therapies, baseline disease manifestations and concurrent conditions, disease severity, duration of miglustat exposure, and safety‐relevant information.

Results

Mean (SD) age at baseline was 46.1 (16.5) years. At baseline, bone disease and neurological manifestations were reported in 55.6 and 28.6% of patients, respectively; the latter included peripheral neuropathy (7.2%) and a wide variety of neurological symptoms and signs. In addition, 23.2% had other health conditions relevant to neurological status. During the reporting period, new neurological manifestations were reported in 23 (18.9%) patients, principally tremor. Thirty‐five (28.7%) patients discontinued treatment, predominantly for gastrointestinal (GI) disturbances (11.5%), two‐thirds of which occurred during the first 6 months.

Conclusion

The safety profile of miglustat in GD1 patients included in the safety surveillance programme is overall consistent with that reported in the registration and other clinical trials, and no new safety finding was identified. Copyright © 2009 John Wiley & Sons, Ltd.
Microcellular extrusion‐foaming of polylactide with chain‐extender
Authors: Pilla Srikanth , Kim Seong G. , Auer George K. , Gong Shaoqin , Park Chul B.
Published: June 2009

The effects of adding epoxy‐functionalized chain‐extender (CE) and processing conditions such as die temperature on the cell morphology, volume expansion ratio (VER), open cell content (OCC), and crystallization of microcellular extruded polylactide (PLA) were investigated. When compared with pure PLA, the addition of talc decreased the average cell size and increased the cell density. Moreover, the simultaneous addition of talc and CE led to denser and more uniform cell structure up until 1.0% CE content. In general, the volume expansion ratio and open cell content of all the formulations decreased with the die temperature. The addition of talc decreased both VER and OCC, whereas the addition of CE increased both. The die temperature did not affect the degree of crystallinity significantly. The addition of talc increased the crystallinity, but the addition of CE decreased it. Finally, the molecular weight of PLA increased significantly with the addition of CE. POLYM. ENG. SCI., 2009. © 2009 Society of Plastics Engineers
Optimal sizing of photovoltaic‐hydro power plant
Authors: Glasnovic Zvonimir , Margeta Jure
Published: June 2009

The work presents a technological concept of energetically independent and ecologically sustainable system of electric energy production by joint operation of photovoltaic (PV) and hydro electric (HE) power plant as a unique technological system of solar hydroelectric (SHE) power plant. The sustainability of such system is based exclusively on the solar energy input, as the renewable and pure energy resource, and the use of hydro energy, due to the possibility of its continuous production of energy and its well‐known flexibility in covering the consumers' needs. For the purpose of connecting all relevant values into one integral SHE system, a mathematical model was developed for selecting the optimal size of the PV power plant as the key element for estimating the technological feasibility of the overall solution. The model was tested on electric energy supply from the island of Vis in Croatia. The obtained power of the PV power plant was 41 MWpwhich corresponds to collector field of approximately 25 ha, while the estimated related storage was 20 hm3. The results show that the subject model describes the SHE very well and that the proposed concept of joint operation of PV and HE power plants is real and possible. The application of such sustainable SHE systems could significantly increase PV industry worldwide, i.e. the share of solar energy in energy balances of numerous countries. Proposed hybrid simulation‐dynamic programming model is suitable to optimize PV plant in accordance with system characteristics. Copyright © 2009 John Wiley & Sons, Ltd.
Mass Flow Discharge and Total Temperature Characterisation of a Pyrotechnic Gas Generator Formulation for Airbag Systems
Authors: Neutz Jochen , König Andreas , Knauss Helmut , Jordan Sebastian , Rödiger Tim , Smorodsky Boris , Blümcke Erich Walter
Published: June 2009

The mass flow characteristics of gas generators for airbag applications have to comply with a number of requirements for an optimal deployment of the airbag itself. Up to now, the mass flow was determined from pressure time histories of so‐called can tests. This procedure suffers from the missing knowledge on the temperature of the generated gas entering the can. A new test setup described in this paper could overcome this problem by providing highly time resolved information on the gas's total temperature and the mass flow of the generator. The test setup consisted of a combustion chamber with a specially designed Laval nozzle in combination with a temperature sensor of high time resolution. The results showed a high time resolved temperature signal, which was disturbed by the formation of a slag layer on the sensor. Plausibility considerations with experimentally and thermodynamically determined combustion temperatures led to satisfying results for the overall temperature as characteristic parameter of airbag inflating gases flows from pyrotechnics.
Results from Research Collaboration – A Review over 20 Years
Authors: Cumming Adam S.
Published: June 2009

Over the last twenty years, the level of international research collaboration on military energetic materials has increased significantly and has been reported in the literature. It is time to look at what has been done and to critically examine that benefits that it has produced. The range of programmes has covered the whole range of energetic materials and in addition to the study of new materials and new forms of materials, it has covered modelling as well as standards and protocols. Programmes have ranged from pressed explosives to rocket propellants and from IM technology to environmental and life management. It can be argued that these programmes have provided the participating nations with materials as well as the understanding to better manage their behaviour and use. Without this range of activity, significantly less would have been achieved. This will be discussed in the light of a selection of published papers and reports.
Morphological transition of proliferative inflammatory atrophy to high‐grade intraepithelial neoplasia and cancer in human prostate
Authors: Wang Wanzhong , Bergh Anders , Damber Jan‐Erik
Published: June 2009

BACKGROUND

Inflammation has been implicated as a potential etiological agent in human prostate cancer (PCa). Proliferative inflammatory atrophy (PIA) in prostate consists of areas of glandular atrophy associated with chronic inflammation and epithelial cell proliferation. It has been suggested that PIA is a candidate precursor of prostate malignancy. We aimed to explore the morphological transition between PIA and co‐existing high‐grade prostate intraepithelial neoplasia (HGPIN) and/or PCa.

METHODS

Serial slides of 50 whole‐mounted radical prostatectomies were studied with H&E staining and immunostaining of cytokeratin 5 (CK5), glutathione S‐transferase pi (GSTP1), hepatocyte growth factor receptor (c‐MET), CCAAT/enhancer binding protein β (C/EBPβ), and Ki‐67. Utilizing immunohistochemical stains to examine HGPIN, PIA‐merging HGPIN, and PIA‐merging PCa lesions, respectively.

RESULTS

A total of 1,188 HGPIN lesions were identified, of which 17% (198) were in the morphological process of merging with PIA. Thirty‐six PIA‐merging PCa lesions were also detected. The atrophic epithelial cells in such merging lesions had increased Ki‐67 index and an intermediate phenotype: increased expression for CK5, GSTP1, c‐MET, and C/EBPβ. In addition, clusters of atypical epithelial cell hyperplasia, that is, with nuclear enlargement, hyperchromasia, and prominent nucleoli, were found in 16 PIA lesions. Such clusters of atypical cells that meet the criteria for HGPIN still expressed CK5 and were adjacent to focal chronic inflammation.

CONCLUSIONS

Direct morphological transition between PIA and HGPIN and/or PCa was present. The atrophic cells in these merging lesions had an intermediate phenotype. Clusters of atypical epithelial cell hyperplasia might represent the earliest transition from PIA to HGPIN. Prostate 69: 1378–1386, 2009. © 2009 Wiley‐Liss, Inc.
Elucidating the exact role of engineered CRABPII residues for the formation of a retinal protonated Schiff base
Authors: Vasileiou Chrysoula , Wang Wenjing , Jia Xiaofei , Lee Kin Sing Stephen , Watson Camille T. , Geiger James H. , Borhan Babak
Published: June 2009

Cellular Retinoic Acid Binding Protein II (CRABPII) has been reengineered to specifically bind and react with all‐trans‐retinal to form a protonated Schiff base. Each step of this process has been dissected and four residues (Lys132, Tyr134, Arg111, and Glu121) within the CRABPII binding site have been identified as crucial for imine formation and/or protonation. The precise role of each residue has been examined through site directed mutagenesis and crystallographic studies. The crystal structure of the R132K:L121E‐CRABPII (PDB‐3I17) double mutant suggests a direct interaction between engineered Glu121 and the native Arg111, which is critical for both Schiff base formation and protonation. Proteins 2009. © 2009 Wiley‐Liss, Inc.
Quantum transport calculations using complex absorbing potentials
Authors: Varga K.
Published: June 2009

The quantum transport problem in an infinite open system can be solved in a closed finite system by adding a complex absorbing potential to the Hamiltonian deep inside the leads. The efficiency and usefulness of this approach is demonstrated by transport calculations for various systems including metallic wire, carbon nanotube, and molecular junction nanodevices. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Preface: Phys. Status Solidi C 6/6
Authors: Walther Martin , Ambacher Oliver
Published: June 2009

The present issue of physica status solidi (c) contains papers presented at the 35th International Symposium on Compound Semiconductors (ISCS 2008). The symposium was held 21–24 September 2008 at the Europa‐Park in Rust, Germany. This conference is one in an annual series, which has in the past rotated between the United States, Europe and Asia and was organized for the second time at the Europa‐Park. The last three conferences were held in Kyoto, Japan (2007), Vancouver, Canada (2006) and Rust, Germany (2005). The history of the symposium goes back to 1966 when the first “International Symposium on GaAs and Related Compounds” took place in Reading, England.

The scope of the meeting includes both science and technology and the entire spectrum of III–V and II–VI compound semiconductors as well as SiGe, SiC and carbon related materials. The symposium was attended by 130 registered participants from 17 countries with 26% from Asia, 12% from America and 62% from Europe.

A total of 101 papers were presented at the symposium including 4 plenary talks, 13 invited talks, 41 contributed talks and 43 poster presentations. The conference was opened with a plenary session to highlight current research activities within the German “excellence initiative” at the Universities of Aachen, Karlsruhe and Konstanz. Reinhart Proprawe opened this series with his view on “Reaching excellence in university R&D – The institutional strategy of RWTH Aachen 2020”, followed by a presentation on “Photonic metamaterials: Optics starts walking on two feet” by Martin Wegener from the University of Karlsruhe. Alfred Leitenstorfer highlighted application oriented research in a paper entitled “The Konstanz center for Applied Photonics: Bridging the gap between fundamental research and high tech industry”, followed by the industrial view of Stefan Illek on “Light from crystals – Light emitting diodes are penetrating our everyday life”.

Three prestigious research awards were presented at the symposium, the Welker Award, the Quantum Device Award, and the Young Scientist Award.

We thank all the participants as well as the Program Committee members of ISCS 2008 for contributing to the success of the meeting. Finally, we extend our thanks to the Local Organizing Committee for the excellent organization of the symposium.

The 36th International Symposium on Compound Semiconductors will be organized by Umesh Mishra and will be held at the University of California at Santa Barbara, on 31 August–2 September 2009 (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Strengthening the understanding of the relationship between survival designs and test statistics
Authors: Ma Guoguang , Ganju Jitendra
Published: June 2009

In the planning of randomized survival trials, the role of follow‐up time of trial participants introduces a level of complexity not encountered in non‐survival trials. Of the two commonly used survival designs, one design fixes the follow‐up time whereas the other allows it to vary. When the follow‐up time is fixed the number of events varies. Conversely, when the number of events is fixed, the follow‐up time varies. These two designs influence test statistics in ways that have not been fully explored resulting in a misunderstanding of the design–test statistic relationship. We use examples from the literature to strengthen the understanding of this relationship. Group sequential trials are briefly discussed. When the number of events is fixed, we demonstrate why a two‐sample risk difference test statistic reduces to a one‐sample test statistic which is nearly equal to the risk ratio test statistic. Some aspects of fixed event designs that need further consideration are also discussed. Copyright © 2009 John Wiley & Sons, Ltd.
Sample size calculation for an agreement study
Authors: Liao Jason J. Z.
Published: June 2009

It is often necessary to compare two measurement methods in medicine and other experimental sciences. This problem covers a broad range of data. Many authors have explored ways of assessing the agreement of two sets of measurements. However, there has been relatively little attention to the problem of determining sample size for designing an agreement study. In this paper, a method using the interval approach for concordance is proposed to calculate sample size in conducting an agreement study. The philosophy behind this is that the concordance is satisfied when no more than the pre‐specified k discordances are found for a reasonable large sample size n since it is much easier to define a discordance pair. The goal here is to find such a reasonable large sample size n. The sample size calculation is based on two rates: the discordance rate and tolerance probability, which in turn can be used to quantify an agreement study. The proposed approach is demonstrated through a real data set. Copyright © 2009 John Wiley & Sons, Ltd.
Improvement of Site of Metabolism Predictions for CYP3A4 by Using Discriminant Analysis of Compound Preference of CYP3A4 X‐Ray Structural Conformers and Subsequent Docking
Authors: Prusis Peteris , Afzelius Lovisa
Published: June 2009

Metabolism plays a significant role in failure of drugs to carry out their intended action in the body. Drugs and other xenobiotics in the body are mainly biotransformed through oxidation reactions catalyzed by cytochrome P450 enzymes, in particular the CYP3A4 isoform. This enzyme is well known for its very wide substrate specificity and promiscuity. Understanding where in a compound's structure the enzymatic oxidation would take place, i.e. site of metabolism (SOM), is crucial for successful modification of molecules in order to avoid unwanted metabolism. Several in silico methods have been developed for SOM predictions including docking based methods. One of the benefits of docking based methods is that they provide insight into the structure of the drug‐enzyme complex. However, crystallographic studies of CYP3A4 have showed that the structure of this enzyme may obtain substantially different conformations depending on the structure of the ligand it is cocrystallized with. Therefore, it is not straight forward to decide which of the different crystal structures of CYP3A4 should be used for SOM prediction when using docking methods. Here we show that simple discriminative models allow selection of CYP3A4 structural conformer to yield better SOM predictions for each individual substrate.
Relationship Between Structure and Permeability in Artificial Membranes: Theoretical Whole Molecule Descriptors in Development of QSAR Models
Authors: Tulp Indrek , Sild Sulev , Maran Uko
Published: June 2009

The relationships between structure and passive permeability in artificial membranes were studied using a structurally diverse data set of 60 compounds. The potential of whole molecule descriptors in the development of QSAR models was explored and the respective five‐parameter model is presented for the modeling of permeability. The presented QSAR model is validated internally and externally. Descriptors in the model include the hydrogen bonding ability which is solely connected with water solubility, hence hydrophilicity. In addition, the charge distribution, polarizability, and shape of molecules are also described by the descriptors. Insight is given into the structural characteristics that determine the passive mechanism of permeability.
Cl–π Interactions in Protein–Ligand Complexes
Authors: Imai Yumi N. , Inoue Yoshihisa , Nakanishi Isao , Kitaura Kazuo
Published: June 2009

A geometry analysis of Cl–π interactions in protein–ligand complex crystal structures, showed two distinct geometries: “edge‐on” approach of a Cl atom to a ring atom or CC bond and “face‐on” approach towards the ring centroid, with an average interatomic distance of 3.6 Å. The interaction energies were estimated as a sum of the CCSD(T) correlation contribution and the Hartree–Fock energy at the complete basis set limit, for the geometries of the benzene–chlorohydrocarbon model structures at the energy minimum obtained by potential energy surface scans using RMP2(FC)/cc‐pVTZ. The calculated Cl–π interaction energy was −2.01 kcal/mol, and the dispersion force was found to be the major source of attraction. We also discuss the geometry flexibility in Cl–π interactions.
A QSAR Study on Indole‐Based PPAR‐γ Agonists in Respect to Receptor Binding and Gene Transactivation Data
Authors: Giaginis Costas , Theocharis Stamatios , Tsantili‐Kakoulidou Anna
Published: June 2009

Multivariate data analysis (MVDA) was applied on a set of 160 indole‐based PPAR‐γ agonists for modeling receptor binding (pKi) and gene transactivation (pEC50) data. A pool of descriptors based on easily interpretable physicochemical, molecular and constitutional properties, including drug‐like characteristics was used. A PLS model with satisfactory and robust statistics was produced for pKi data, while the inferior quality of pEC50 model reflected the higher complexity associated with transactivation process. In both PLS models, lipophilicity, molecular weight and the number of halogens exerted a significant positive effect in activity, while molecules should preferably be compact and less flexible. An activity‐activity model was further established using multiple regression analysis, which improved the interrelationship between pEC50 and pKi.
Successful Application of OPLS‐DA for the Discrimination of Wild‐Type and Mutated Cells in Acute Lymphoblastic Leukemia
Authors: Molteni Claudio Giuseppe , Cazzaniga Giovanni , Condorelli Daniele F. , Fortuna Cosimo G. , Biondi Andrea , Musumarra Giuseppe
Published: June 2009

OPLS‐DA was successfully applied to select of a limited number of gene transcripts necessary to discriminate wild type and mutated cells in ALL patients. In the above list it was possible to identify candidate genes that could be involved in the molecular mechanisms linking PTPN11 and RAS mutations to B‐ALL genesis. OPLS‐DA and SIMCA classification provide a set of 50 and 77 variables respectively suitable to discriminate wild type from mutated cells in ALL patients.
Classification of Blood‐Brain Barrier Permeation by Kohonen's Self‐Organizing Neural Network (KohNN) and Support Vector Machine (SVM)
Authors: Wang Zhi , Yan Aixia , Yuan Qipeng
Published: June 2009

Kohonen's self‐organizing neural network (KohNN) method and support vector machine (SVM) classification method were used to build blood‐brain barrier permeation prediction model, respectively. Based on five 2D property autocorrelation descriptors, several models have been built which were able to classify BBB penetration and nonpenetration compounds with the accuracy of over 96%.
Ultrasmall Liquid Droplets on Solid Surfaces: Production, Imaging, and Relevance for Current Wetting Research
Authors: Méndez‐Vilas Antonio , Jódar‐Reyes Ana Belén , González‐Martín María Luisa
Published: June 2009

The investigation of micro‐ and nanoscale droplets on solid surfaces offers a wide range of research opportunities both at a fundamental and an applied level. On the fundamental side, advances in the techniques for production and imaging of such ultrasmall droplets will allow wetting theories to be tested down to the nanometer scale, where they predict the significant influence of phenomena such as the contact line tension or evaporation, which can be neglected in the case of macroscopic droplets. On the applied side, these advances will pave the way for characterizing a diverse set of industrially important materials such as textile or biomedical micro‐ and nanofibers, powdered solids, and topographically or chemically nanopatterned surfaces, as well as micro‐and nanoscale devices, with relevance in diverse industries from biomedical to petroleum engineering. Here, the basic principles of wetting at the micro‐ and nanoscales are presented, and the essential characteristics of the main experimental techniques available for producing and imaging these droplets are described. In addition, the main fundamental and applied results are reviewed. The most problematic aspects of studying such ultrasmall droplets, and the developments that are in progress that are thought to circumvent them in the coming years, are highlighted.

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Direct Laser Patterning of Soft Matter: Photothermal Processing of Supported Phospholipid Multilayers with Nanoscale Precision
Authors: Mathieu Mareike , Schunk Daniel , Franzka Steffen , Mayer Christian , Hasselbrink Eckart , Hartmann Nils
Published: June 2009

Direct laser patterning of supported phospholipid multilayers is investigated. Spin coating is used to fabricate stacked bilayers of 1,2‐dioleoyl‐sn‐glycero‐3‐phosphate (DOPA). Photothermal processing with a focused laser beam at λ = 514 nm allows removal of the coating at predefined positions without causing any significant change in adjacent areas. Moreover, processing with nanoscale precision is feasible despite the soft and fluid nature of phospholipid films. In particular, holes with diameters from 1.8 µm down to 300 nm and below are fabricated by using a 1/e2 laser spot size of about 2.5 µm. In addition, patterning is also very flexible and can be carried out over macroscopic length scales and at short processing times. Considering these features photothermal laser processing constitutes a powerful tool for micro‐ and nanopatterning of phospholipid films.
A dependency constraint language to manage object‐oriented software architectures
Authors: Terra Ricardo , Valente Marco Tulio
Published: June 2009

This paper presents a domain‐specific dependency constraint language that allows software architects to restrict the spectrum of structural dependencies, which can be established in object‐oriented systems. The ultimate goal is to provide architects with means to define acceptable and unacceptable dependencies according to the planned architecture of their systems. Once defined, such restrictions are statically enforced by a tool, thus avoiding silent erosions in the architecture. The paper also presents results from applying the proposed approach to different versions of a real‐world human resource management system. Copyright © 2009 John Wiley & Sons, Ltd.
Synthesis of Hydrophobic Corn Starch with High Flowability by Surface Modification
Authors: Chujiang Cai , Jinzhi Li , Zhigang Shen , Shulin Ma , Yushan Xing
Published: June 2009

A new particle design method was proposed for the production of hydrophobic corn starch with high flowability by surface modification. The flowability and hydrophobicity of the native and modified corn starches were investigated by wettability (activation index) and flowability experiments (flow time), scanning electron microscopy (SEM), and X‐ray diffraction (XRD). In corn starch modification, the optimal modifying agent is a mixture of tetraisopropyldi(dioctylphosphate)titanate (NDZ‐401) and methyl hydrogen silicone oil (H202), and the optimal content is 1% (w/w). The optimal content of flow agent (R972 silica) is 1% (w/w). The results indicate that the modified corn starch is a free flowing powder, which is also remarkably water repellent. The crystalline structures of the native and modified corn starches are similar, and only the surface properties are changed from hydrophilic to hydrophobic.
Base‐isolated structures with selective controlled semi‐active friction dampers
Authors: Ribakov Y.
Published: June 2009

This paper investigates effectiveness of selective control strategy in hybrid base isolation systems including isolators and semi‐active variable friction (VF) dampers. According the selective control strategy, VF dampers are activated just if the displacement at the isolators exceeds the threshold value. The slip‐force control is based on the values of floors' accelerations and velocities. By controlling the slip‐force magnitude in the VF dampers, effective energy dissipation can be achieved in a seismic event. Activation of dampers according to the selective control strategy allows high‐energy dissipation by minimum energy required for adjusting the slip‐force. Performance of a multi‐storey frame with a base isolation system and VF dampers under various earthquake records was obtained numerically using originally developed MATLAB routines. Seismic response of the analysed structure with the selective controlled system was compared with that when the VF dampers were active during the whole earthquake. It is shown that adjustment of the slip‐force in a selective manner allows additional reductions in peak displacements and accelerations of the structure. The results also demonstrate that this control strategy yields reduction of the base displacement without increasing the peak base shear forces. Copyright © 2009 John Wiley & Sons, Ltd.
Localized access point selection in infrastructure wireless LANs with performance guarantee
Authors: Lu Mingming , Wu Jie
Published: June 2009

Efficient network management can improve the network performance and reduce the cost of system maintenance and administration. One of the important duties assigned to the network management system in a infrastructure wireless LAN (or simply wireless LAN) is to assign users to appropriate accessible access points (APs). The current AP selection schemes in wireless LANs cause an unbalanced load, which in turn reduces the performance of individual users. This has motivated intensive studies attempting to determine efficient methods to balance loads among different APs. Existing works either provide heuristic solutions without performance guarantees or provide centralized solutions which are not desirable for the AP selection problem. In this paper, we study the localized solutions that can provide performance guarantees. We model the AP selection problem as a matching problem in bipartite graph. Our objective is to maximize total load among all APs. We propose a class of localized heuristics based on different user knowledge models. For some of these localized heuristics, we prove that there exists a constant approximation ratio in terms of expected total load through mathematical analysis. Simulations are conducted to verify our results. Copyright © 2009 John Wiley & Sons, Ltd.
Risk Factors for Complications After Laparoscopic Surgery in Colorectal Cancer Patients: Experience of 401 Cases at a Single Institution
Authors: Hida Koya , Yamaguchi Takashi , Hata Hiroaki , Kuroyanagi Hiroya , Nagayama Satoshi , Tada Harue , Teramukai Satoshi , Fukushima Masanori , Koizumi Kinya , Sakai Yoshiharu
Published: June 2009

Background

Laparoscopic surgery is widely used for the treatment of colorectal cancer, but little is known about perioperative risk factors for complications.

Methods

Clinical data were reviewed for 401 consecutive unselected colorectal cancer patients who underwent laparoscopic surgery at Kyoto Medical Center between 1998 and 2005. The outcome variable was incidence of postoperative complications. Using logistic regression analysis, 58 background, clinical, preoperative, and intraoperative factors were assessed as potential predictors of complications.

Results

The set of independent protective factors that had the greatest influence on the incidence of local complications after colon surgery was as follows: cefmetazole use for prophylaxis (versus oral only; adjusted odds ratio (OR) 0.18, 95% confidence interval (CI) 0.06–0.54), high operative infusion rate (per ml/min; OR 0.82, 95% CI 0.70–0.95), regular laxative use (OR 0.33, 95% CI 0.12–0.79), and double‐stapled anastomosis (versus hand‐sewn; OR 0.15, 95% CI 0.03–0.83). Independent risk factors for local complications after rectal surgery were abdominoperineal resection (versus low anterior resection, OR 4.84, 95% CI 1.64–14.9), long operative time (per hour, OR 1.55, 95% CI 1.11–2.23), and history of heart disease (OR 5.18, 95% CI 1.34–21.5). The occurrence of complications was not found to be associated with overall survival in this study.

Conclusions

We identified intraoperative management such as low operative infusion rate is one of the independent significant risk factors for complications after laparoscopic surgery for colorectal cancer in addition to patient characteristics and surgical procedure.
Obesity, Gut Hormones, and Bariatric Surgery
Authors: Pournaras Dimitrios J. , le Roux Carel W.
Published: June 2009

Obesity is becoming the healthcare epidemic of this century. Bariatric surgery is the only effective treatment for morbid obesity. Gut hormones are key players in the metabolic mechanisms causing obesity. In this review we explore the role of these hormones as facilitators of appetite control and weight loss after bariatric surgery, and we describe the now established gut–brain axis.
High‐Frequency Gastric Electrical Stimulation for the Treatment of Gastroparesis: A Meta‐Analysis
Authors: O’Grady Gregory , Egbuji John U. , Du Peng , Cheng Leo K. , Pullan Andrew J. , Windsor John A.
Published: June 2009

Background & Aims

High‐frequency gastric electrical stimulation (GES) is a relatively new treatment for medically refractory gastroparesis. There have been a number of clinical studies based on the use of a high‐frequency stimulator (Enterra, Medtronic, Minneapolis, MN). A meta‐analysis was performed to evaluate evidence for improved clinical outcome with this device.

Methods

A literature search of major medical databases was performed for the period January 1992 to August 2008. Clinical studies involving an implanted high‐frequency GES device were included and reported a range of clinical outcomes. Studies of external, temporary, and/or low‐frequency GES were excluded.

Results

Of 13 included studies, 12 lacked controls and only one was blinded and randomized. Following GES, patients reported improvements in total symptom severity score (3/13 studies, mean difference 6.52 [confidence interval—CI: 1.32, 11.73]; P = 0.01), vomiting severity score (4/13, 1.45 [CI: 0.99, 1.91]; P < 0.0001), nausea severity score (4/13, 1.69 [CI: 1.26, 2.12]; P < 0.0001), SF‐36 physical composite score (4/13, 8.05 [CI: 5.01, 11.10]; P < 0.0001), SF‐36 mental composite score (4/13, 8.16 [CI: 4.85, 11.47]; P < 0.0001), requirement for enteral or parenteral nutrition (8/13, OR 5.53 [CI: 2.75, 11.13]; P < 0.001), and 4‐h gastric emptying (5/13, 12.7% [CI: 9.8, 15.6]; P < 0.0001). Weight gain did not reach significance (3/13, 3.68 kg [CI: –0.23, 7.58]; P = 0.07). The device removal or reimplantation rate was 8.3%.

Conclusions

Results show substantial benefits for high‐frequency GES in the treatment of gastroparesis. However, caution is necessary in interpreting the results, primarily because of the limitations of uncontrolled studies. Further controlled studies are required to confirm the clinical benefits of high‐frequency GES.
Ulnar Neuropathy at the Wrist
Authors: Pearce Carisa , Feinberg Joseph , Wolfe Scott W.
Published: June 2009

A case of ulnar nerve compression at the wrist within Guyon's canal is reported. The clinical presentation initially appeared consistent with an ulnar nerve entrapment at the elbow. The true diagnosis of an ulnar sensorimotor nerve lesion occurring within the canal of Guyon was made electrophysiologically. Magnetic resonance imaging demonstrated compression of the nerve within the canal by a ganglionic cyst, which was confirmed by surgical intervention. Ulnar nerve entrapment at the wrist is uncommon and difficult to diagnose; therefore, it is important to understand the nerve's anatomical course and distribution to allow for accurate diagnosis by clinical and electrodiagnostic evaluations. Electrodiagnosis is an important tool in identifying ulnar nerve lesions at the wrist while excluding other disorders in the differential and recognizing coexisting pathology.
A Simple Technique for Alignment in Total Hip Resurfacing Arthroplasty: Technical Note and Preliminary Report
Authors: Villanueva-Martínez Manuel , Ríos-Luna Antonio , Villamor-Pérez Ángel
Published: June 2009

The functioning and survival of hip resurfacing arthroplasty depends on correct positioning and alignment of the implant. Correct positioning of the femoral alignment wire with respect to the femoral neck is the key to avoiding complications. Although the surgeon must align the wire in two planes, we can only control one plane at a time without changing position or relying on the indications of an assistant. Independent placement of two parallel alignment wires, one for varus-valgus orientation and another for version orientation, will help to determine two planes, the valgus sagittal plane and the version coronal plane, at the intersection of which both the optimum point of entry into the femoral head and the orientation line of the femoral alignment wire can be established. The marks on the neck and head and Kirschner wires following these marks define the planes. This simple technique allows us to reduce surgery time, minimize errors, and speed up the learning curve. It can be used with any type of resurfacing arthroplasty.
The Hospital for Special Surgery Affiliates with Cornell University Medical College and New York Hospital, 1951; Philip D. Wilson Retires as Surgeon-in-Chief, 1955
Authors: Levine David B.
Published: June 2009

When World War II ended in 1945, the Hospital for Special Surgery (HSS), the oldest orthopedic hospital in the country, was entering its eighth decade. Only 5 years previously, its name was changed from the Hospital for the Ruptured and Crippled (R & C). In 1934, Dr. Philip D. Wilson (1886–1969) had been recruited to fill the office of the fifth Surgeon-in-Chief with a key charge to restore the hospital as the leading orthopedic institution in our country, a role it originally held for over half a century since its founding in 1863. Wilson believed that a close affiliation with a university center having a medical school and hospital, while maintaining independence, was vital to achieve this objective. In 1948, negotiations between representatives of the Board of the New York Society for the Relief of the Ruptured and Crippled and representatives of the Society of the New York Hospital and Cornell Medical Center began and a preliminary written agreement was reached in March, the next year. The affiliation called for construction of a new building to house approximately 170 inpatient beds for orthopedics and arthritis. The land on the East River between 70th and 71st Streets, owned by New York Hospital, was to be given, without monetary exchange, to the Hospital for Special Surgery for construction of its new hospital. Finally, on November 1, 1951, a new non-proximate agreement was ratified. On May 25, 1955, after 43 years at 321 East 42nd Street, the Hospital for Special Surgery moved to its new six million dollar building at 535 East 70th Street where it formally became affiliated with New York Hospital–Cornell Medical Center. Two months later, on July 1, 1955, Philip D. Wilson retired as Surgeon-in-Chief to become the Hospital for Special Surgery's new Director of Research and Surgeon-in-Chief Emeritus.