bluuebunny/crossref_metadata_2025 huggingface dataset:
Predictive models in palliative care
Authors: Ripamonti Carla Ida , Farina Gabriella , Garassino Marina Chiara
Published: March 2010

It is important to identify prognostic and predictive factors concerning both life expectancy and quality of life in palliative care patients to facilitate ethical, clinical, and organizational decisions, but also to use resources in the best possible way. The authors reviewed the literature to identify the major factors that can predict survival of patients with solid tumors. They found only a few prospective assessments of prognostic factors. Clinical prognostic/predictors of survival based on physician's and/or nurse's judgment, performance status, dyspnea at rest, anorexia, dysphagia, or delirium are all considered to be of primary importance. Despite several contrasting findings, it is generally agreed that the type and site of the primary tumor and metastasis, psychosocial factors, and quality of life should be considered secondary to the organic effects in the final stages of life. Leukocytosis, lymphocytopenia, and elevated C‐reactive protein are all reported to have prognostic significance, and low serum albumin and high lactate dehydrogenase levels must also be taken into consideration. Cancer 2009;115(13 suppl):3128–34. © 2009 American Cancer Society.
Development of a prostate cancer metagram
Authors: Nguyen Carvell T. , Kattan Michael W.
Published: March 2010

Many treatment options are available to the human with clinically localized prostate cancer, including surgery, radiation, and even active surveillance. To the authors' knowledge, there is no consensus on the optimal management of this patient population, with most clinicians tending to recommend the treatment with which they are most familiar. Effective patient counseling allowing informed decision making can be best achieved with a formalized system that offers accurate predictions of outcomes for all available treatment approaches. The authors organized the currently available prostate cancer prediction tools toward the formation of a metagram that can be used to tailor management to the individual patient. A comprehensive review of the literature was performed to identify published prediction tools intended for use in prostate cancer. Tools were categorized by a combination of treatment modality and the outcome being predicted, and incorporated into a metagram constructed of 16 different treatment options and 10 outcomes related to cancer control, survival, and morbidity. A search of the literature revealed 44 prostate cancer prediction tools that assessed at least 1 of the 160 treatment/outcome combinations that comprise the metagram. Only 31 cells of the metagram were populated with currently available tools. Prediction tools offer the most accurate estimates of outcomes in prostate cancer, but their current role in patient counseling is complicated by the large number of existing tools, as well as a lack of comparative data. To address this, the authors incorporated the most relevant prediction tools currently available into a prostate cancer metagram that may offer evidence‐based and individualized predictions for multiple endpoints after all available treatment options in clinically localized prostate cancer. The metagram also reveals areas of deficiency in the current catalog of prediction tools. Many more prediction tools are needed. Cancer 2009;115(13 suppl):3039–45. © 2009 American Cancer Society.
Area‐minimizing projective planes in 3‐manifolds
Authors: Bray H. , Brendle S. , Eichmair M. , Neves A.
Published: March 2010

Let (M,g) be a compact Riemannian manifold of dimension 3, and let ℱ denote the collection of all embedded surfaces homeomorphic to
\input amssym ${\Bbb R}{ \Bbb P}^2$. We study the infimum of the areas of all surfaces in ℱ. This quantity is related to the systole of (M,g). It makes sense whenever ℱ is nonempty.

In this paper, we give an upper bound for this quantity in terms of the minimum of the scalar curvature of (M,g). Moreover, we show that equality holds if and only if (M,g) is isometric to
\input amssym ${\Bbb R}{ \Bbb P}^3$
up to scaling.

The proof uses the formula for the second variation of area and Hamilton's Ricci flow. © 2010 Wiley Periodicals, Inc.
Advances in Photoelectrocatalysis with Nanotopographical Photoelectrodes
Authors: Muñoz A. G. , Lewerenz H. J.
Published: March 2010

The design of photoelectrodes for high efficiency solar fuel energy conversion devices is based on the search for adequate surface conditioning to achieve efficient light harvesting, stability, minimized surface recombination losses and high electron‐transfer rates at the electrolyte interface. An overview on established and novel approaches is given. A recent viable solution is provided by electroplating of nanoscale catalytic metals on passivated semiconductor surfaces, thereby forming reactive centers and avoiding contact between the semiconductor surface and the electrolyte. At these nano‐dimensioned Schottky‐type junctions, light‐induced excess minority carriers are scavenged and transferred to the electrolyte. Various possible device configurations are outlined and envisaged systems for hydrogen or oxygen evolution and carbon dioxide reduction are presented. The role of ultrathin passivating films is emphasized and methods to fabricate open as well as compact conformal films are described.
p53 flow cytometry evaluation in leukemias: Correlation to factors affecting clinical outcome
Authors: Cavalcanti Geraldo Barroso , Scheiner Marcos Antonio Mauricio , Simões Magluta Eliane Pereira , Vasconcelos Flavia da Cunha , Klumb Claudete Esteves , Maia Raquel Ciuvalschi
Published: March 2010

p53 is a cell cycle checkpoint control protein that assesses DNA damage and acts as a transcription factor regulating genes, which control cell growth, DNA repair, and apoptosis. p53 mutations have been found in a wide variety of different cancers including flow cytometric assessment of p53 protein expression using anti‐p53 monoclonal antibodies. We studied p53 protein expression by flow cytometry (FC) assay in 223 blood and/or bone marrow samples from 72 patients with chronic myeloid leukemia (CML): 54 in chronic phase (CML‐CP), 7 in accelerated phase (CML‐AP), and 11 in blastic phase (CML‐BP); 64 patients with chronic lymphoid leukemia (CLL): (34 at diagnosis, 21 in previously treated, and 9 with Richter's syndrome); 44 patients with acute lymphoid leukemia (ALL): 36 at diagnosis and 8 in relapse; and 43 acute myeloid leukemia (AML): 27 de novo, 7 in relapse, and 9 secondary. p53 protein expression was observed in 64 of 223 patient's samples: 14/64 (21.9%) CLL, 13/44 (29.5%) ALL, 19/43 (44.2%) AML, and 17/72 (23.6%) CML. Highest levels were detected in the advanced phases of CLL, ALL, and CML. In addition, in patients with AML, high levels of p53 expression were detected in secondary and relapse disease and also in de novo AML cases. Our results demonstrated that p53 expression levels are strongly associated with advanced disease. On the basis of these results, we concluded that FC can be a reliable approach to study p53 protein expression in leukemic patients. © 2010 Clinical Cytometry Society
Multiparameter immunophenotyping by flow cytometry in multiple myeloma: The diagnostic utility of defining ranges of normal antigenic expression in comparison to histology
Authors: Cannizzo Elisa , Bellio Emanuele , Sohani Aliyah R. , Hasserjian Robert P. , Ferry Judith A. , Dorn Michelle E. , Sadowski Craig , Bucci Janessa J. , Carulli Giovanni , Preffer Frederic
Published: March 2010

Background:

Numerous studies have reported on the immunophenotype of plasma cells (PCs) in monoclonal gammopathy of undetermined significance (MGUS) and in plasma cell myeloma (PCM), but very few have examined the immunophenotype of normal PCs. In this study, an objective definition of normal range of expression for each antigen was found on normal control PCs. Using these new ranges of normal expression (new method) is different from using a static 20% of PCs cut‐off for all antigens as described in the literature (traditional method). These newly calculated normal ranges for each antigen were applied to our data, and compared to histologic and immunohistochemical findings.

Methods:

Bone marrow samples from 46 patients with PC neoplasms and 15 normal controls were studied. A minimum of 100 PC were analyzed for each patient and control sample. An 8‐color staining method was applied to study the immunophenotype of PCs, using a BD FACSCanto II.

Results:

By the new ranges of normality calculated in this study it was determined that different antigens have different level of expression on polyclonal PCs. CD19 correlated with histology by both the traditional and new methods, but had superior correlation by the new method.

Conclusions:

This report is the first 8‐color immunophenotypic study of PCM in which a “range of normal expression” for each antigen is defined. This is a critical step to help distinguish between a normal and neoplastic PC immunophenotype and discern which antigens are of diagnostic importance. © 2010 Clinical Cytometry Society
Synthesis and Characterization of 1‐, 2‐, and 3‐Dimensional Bimetallic UO22+/Zn2+ Phosphonoacetates (Eur. J. Inorg. Chem. 8/2010)
Authors: Knope Karah E. , Cahill Christopher L.
Published: March 2010

The cover picture shows three bimetallic UO22+/Zn2+ phosphonoacetates that have been prepared under hydrothermal conditions. The phosphonate linker was generated in situ by the hydrolysis of triethyl phosphonoacetate, as efforts to prepare uranyl/zinc bimetallic phases from the direct reaction of the metal salts with the acid form of the ligand were unsuccessful. These compounds exhibit diverse topologies and dimensionalities that can be attributed to polymerization of the UO22+ sites, oligomerization of Zn2+ octahedra, and degree of Zn2+–ligand coordination; structural features are related to temperature. Details are discussed in the article by K. E. Knope and C. L. Cahill on p. 1177 ff.
A Straightforward Hetero‐Diels–Alder Approach to (2‐ambo,4′R,8′R)‐α/β/γ/δ‐4‐Thiatocopherol
Authors: Menichetti Stefano , Amorati Riccardo , Bartolozzi Maria Grazia , Pedulli Gian Franco , Salvini Antonella , Viglianisi Caterina
Published: March 2010

A simple and original inverse electron demand hetero‐Diels–Alder reaction has been successfully applied to the synthesis of (2‐ambo,4′R,8′R)‐α/β/γ/δ‐4‐thiatocopherol. Commercially available methyl hydroquinones and (2E,7R,11R)‐(+)‐phytol were exploited for the preparation of the ortho‐thioquinones, acting as electron‐poor dienes, and of the proper 1,3‐diene used as dienophile, respectively. The benzoxathiine cycloadducts, with the required tocopherol‐like skeleton, were obtained with complete control of regio and chemoselectivity. The antioxidant activity of 4‐thiatocopherols was measured and rationalized in comparison with that of the corresponding natural components of Vitamin E.
Chiral Thiophosphoramidate‐Catalyzed Asymmetric Michael Addition of Ketones to Nitro Olefins
Authors: Lu Aidang , Wu Ronghua , Wang Youming , Zhou Zhenghong , Wu Guiping , Fang Jianxin , Tang Chuchi
Published: March 2010

A novel type of pyrrolidine‐based chiral (thio)phosphoramidates was synthesized. Among them, compound (S,aR)‐3d was proven to be an effective bifunctional organocatalyst for the asymmetric Michael addition of ketones to nitro olefins. The corresponding adducts were obtained in good to excellent chemical yields with high levels of diastereo‐ and enantioselectivities (up to >99:1 dr and 99 % ee).
Highly Enantioselective Conjugate Addition of Ketones to Alkylidene Malonates Catalyzed by a Pyrrolidinyl–Camphor‐Derived Organocatalyst
Authors: Magar Dhananjay R. , Chang Chihliang , Ting Ying‐Fang , Chen Kwunmin
Published: March 2010

Pyrrolidinyl–camphor derivatives have been proven to be efficient organocatalysts for enantioselective conjugate addition of ketones to alkylidene malonates, affording high chemical yields (up to 95 %) of the corresponding products with high to excellent levels of diastereoselectivity (up to >99:1 dr) and enantioselectivity (up to 96 % ee) under solvent‐free reaction conditions at ambient temperature.
Novel polydentate phosphonic acids: Protonation and stability constants of complexes with Fe(III) and Cu(II) in aqueous medium
Authors: Aliouane Nabila , Chafaa Salah , Douadi Tahar , Hélesbeux Jean‐Jacques , Khan Mustayeen A. , Duval Olivier , Bouet Gilles
Published: March 2010

The acido‐basic and the complexation properties of di‐, tri‐, and tetra‐phosphonic acids (H6L1, H8L2, and H10L3) toward Fe(III) and Cu(II) were determined by potentiometric titration in aqueous media at 25.0 ± 0.1°C with constant ionic strength (0.1 M, NaClO4). We have determined six, ten, and eight pKa values for the di, tri, and tetra‐phosphonic acids, respectively. In acidic conditions, e.g., 0 ≤ pH ≤ 5; iron and copper presented a high affinity toward these ligands to give complex species. With the ligand H10L3, [FeL3H7], and [CuL3H6]2− were easily obtained at pH 1.8 and 2.7, respectively. We have determined ten stability constants for the H10L3/Fe system and nine for the H10L3/Cu one; six and four in the cases of H8L2/Fe and H8L2/Cu systems, respectively. Finally, five stability constants were calculated for the H6L1/Fe system and four for the H6L1/Cu one. We have not observed any insoluble species in these complexes in acidic medium as well as in alkaline solutions. © 2010 Wiley Periodicals, Inc. Heteroatom Chem 21:51–62, 2010; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20575
Ultrasonically determined thyroid volume and thyroid functions in lithium‐naïve and lithium‐treated patients with bipolar disorder: a cross‐sectional and longitudinal study
Authors: Ozsoy Saliha , Mavili Ertugrul , Aydın Murat , Turan Tayfun , Esel Ertugrul
Published: March 2010

Objective

This study investigated thyroid volume, hormone levels and antibodies in long‐term lithium‐treated and lithium‐naïve bipolar patients, some of whom underwent prospective follow‐up evaluations.

Methods

Fourteen lithium‐naïve patients, 13 long‐term lithium‐treated patients diagnosed with bipolar disorder and 12 healthy controls were included. Seven lithium‐naïve patients were followed‐up during their lithium receiving period (range 6–9 months). Thyroid volume and serum levels of thyroid hormones and antibodies were measured once in the long‐term lithium‐treated patients and controls, and twice in the lithium‐naïve patients, i.e. before and after lithium treatment.

Results

Mean thyroid volumes in the lithium‐naïve patients were significantly higher than those in the controls. Long‐term lithium‐treated patients had significantly higher total thyroid volume than the lithium‐naïve patients and the controls. Total thyroid volume in the patients after the lithium treatment was significantly higher than that before. Serum free thyroxine (fT4) levels in the long‐term lithium‐treated patients were lower than those in the lithium‐naïve patients and the controls. In the lithium‐naïve patients, after lithium treatment, free triiodothyronine (fT3) levels were lower, and thyroid stimulating hormone (TSH) levels were higher compared to those before lithium treatment.

Conclusions

The results suggest that thyroid enlargement and some alterations in thyroid hormones in bipolar patients may present even before lithium treatment and increase further with lithium treatment. Copyright © 2010 John Wiley & Sons, Ltd.
The use of antidepressants in clinical practice: focus on agomelatine
Authors: McAllister‐Williams R. H. , Baldwin D. S. , Haddad P. M. , Bazire S.
Published: March 2010

Objective

Agomelatine (Valdoxan®) is licensed by the European Medicines Agency for the treatment of major depressive episodes in adults. The objective of this review was to consider how the drug should be used in clinical practice in particular starting, stopping and switching to and from the drug.

Methods

The existing clinical evidence was reviewed.

Results

Data suggest that when switching to agomelatine from other antidepressants consideration should be given to tapering the previous antidepressant in order to minimize the risk of the original drug causing discontinuation/withdrawal symptoms. The risk of pharmacological interactions between most antidepressants and agomelatine is low and so tapering the previous antidepressant can usually be done after agomelatine has been started. An exception is fluvoxamine which should not be concurrently prescribed with agomelatine. As agomelatine appears to cause no significant discontinuation symptoms, it can probably be stopped abruptly when treatment is completed or when switching to another antidepressant.

Conclusions

While this guidance may change as clinical evidence and experience grows, currently agomelatine appears to have a good tolerability profile and is relatively easy to use, though prescribers should note the requirement to conduct liver function tests (LFTs) in accordance with the Summary of Product Characteristics (SPC). Copyright © 2010 John Wiley & Sons, Ltd.
Risperidone associated weight, leptin, and anthropometric changes in children and adolescents with psychotic disorders in early treatment
Authors: Maayan Lawrence A. , Vakhrusheva Julia
Published: March 2010

Objective

To document prospective weight and anthropometric changes in children and adolescents during the first 12 weeks of treatment with risperidone and evaluate metabolic outcomes including plasma leptin levels.

Method

Eight patients with psychotic disorders (ages 11–17) who had started risperidone (mean: 1.80 mg/day; sd = 1.04) in the prior 4 weeks participated in this observational study. Fasting morning blood samples were obtained at baseline and week 8 to assess glucose, leptin, cortisol, insulin, and triglycerides. Measures of body mass index (BMI), weight, waist and hip circumference, blood pressure, and heart rate were obtained weekly.

Results

Participants increased in mean weight (4.16 kg; sd = 4.36; p = 0.03) and BMI (1.47 kg/m2; sd = 1.53; p = 0.03) with five out of eight gaining at least 7% of baseline body weight. They had a 4.03 cm (sd = 3.82; p = 0.02) increase in waist circumference and a 5.17 cm (sd = 3.68; p = 0.01) increase in hip circumference. Leptin trended higher, but did not reach statistical significance. There were no significant changes in glucose, insulin, cortisol, blood pressure, or heart rate.

Conclusion

Subjects experienced significant increases in weight, BMI, hip and waist circumference during the first 3 months of treatment. Better powered research with more advanced anthropometric assessment is warranted to further elucidate mechanisms of antipsychotic associated weight gain in youth. Copyright © 2010 John Wiley & Sons, Ltd.
An improved in silico selection of phenotype affecting polymorphisms in SLC6A4, HTR1A and HTR2A genes
Authors: Piva Francesco , Giulietti Matteo , Nardi Bernardo , Bellantuono Cesario , Principato Giovanni
Published: March 2010

Objective

Among the experimentally assessed DNA variations in serotonin related genes, some influence physiological expression of personality and mental disorders, others alter the responses to pharmacological and/or psychotherapeutic treatments. Because of the huge number of polymorphisms lying in genes and of the great length of time necessary to perform association studies, a selection of the variations being studied is a necessary and crucial step.

Methods

In this work we used the most updated and assessed bioinformatic tools to predict the phenotype affecting polymorphisms of the human HTR1A, HTR2A and SLC6A4 serotonin related genes. Moreover, we carried out a literature search to collect information about the recent association studies to compare it versus our prediction data.

Results

Gene polymorphism analysis indicated the variations that are worth considering in the association studies in the field of psychiatry, psychology and pharmacogenomics. The literature revision allowed to show both the few well and the most not enough investigated polymorphisms.

Conclusions

Our data can be useful to select polymorphisms for new association studies, especially those not yet investigated that can be related to behaviour, mental disorders and individual treatment response. Copyright © 2010 John Wiley & Sons, Ltd.
Downregulated microRNAs in the differential diagnosis of malignant pleural mesothelioma
Authors: Gee Gretchen V. , Koestler Devin C. , Christensen Brock C. , Sugarbaker David J. , Ugolini Donatella , Ivaldi Giovanni P. , Resnick Murray B. , Houseman E. Andres , Kelsey Karl T. , Marsit Carmen J.
Published: March 2010

Malignant pleural mesothelioma (MPM) is a rapidly fatal disease whose diagnosis, particularly through less invasive techniques such as analysis of pleural effusion, can be challenging. Currently, a commercially available diagnostic test based on microRNA (miRNA) expression patterns is purported to distinguish between mesothelioma and lung adenocarcinoma. Yet, the biological basis of this technology has not been reported in the literature, and little research has been aimed at determining how differential miRNA expression contributes to the differences in pathogenesis between these diseases, both of which can be caused by asbestos exposure. We sought to illuminate the molecular differences between mesothelioma and lung adenocarcinoma by using miRNA microarrays to identify patterns in the most differentially expressed miRNAs. From this, we identified a panel of miRNAs, including members of the miR‐200 gene family, that were all downregulated in MPM compared to lung adenocarcinoma. Using the more sensitive detection method of quantitative RT‐PCR on an independent series of tumors, we validated the specificity of these alterations in 100 MPMs and 32 lung adenocarcinomas. Statistical analysis reveals that these miRNAs exceed the current recommendations for biomarkers and could greatly aid in the differential diagnosis. Further examination led us to predict that they act as redundant regulators of wnt signaling and suggests a role for this pathway in tumor progression. This research points to novel approaches using miRNAs whose decreased expression is unique to mesothelioma as potentially suitable for rapid diagnosis and reveals prospective new targets for the treatment of this deadly disease.
Early detection of lung adenocarcinoma in sputum by a panel of microRNA markers
Authors: Yu Lei , Todd Nevins W. , Xing Lingxiao , Xie Ying , Zhang Howard , Liu Zhenqiu , Fang HongBin , Zhang Jian , Katz Ruth L. , Jiang Feng
Published: March 2010

Adenocarcinoma is the most common type of lung cancer, the leading cause of cancer deaths in the world. Early detection is the key to improve the survival of lung adenocarcinoma patients. We have previously shown that microRNAs (miRNAs) were stably present in sputum and could be applied to diagnosis of lung cancer. The aim of our study was to develop a panel of miRNAs that can be used as highly sensitive and specific sputum markers for early detection of lung adenocarcinoma. Our study contained 3 phases: (i) marker discovery using miRNA profiling on paired normal and tumor lung tissues from 20 patients with lung adenocarcinoma; (ii) marker optimization by real‐time reverse transcription‐quantitative polymerase chain reaction on sputum of a case–control cohort consisting of 36 cancer patients and 36 health individuals and (iii) validation on an independent set of 64 lung cancer patients and 58 cancer‐free subjects. From the surgical tissues, 7 miRNAs with significantly altered expression were identified, of which “4” were overexpressed and “3” were underexpressed in all 20 tumors. On the sputum samples of the case–control cohort, 4 (miR‐21, miR‐486, miR‐375 and miR‐200b) of the 7 miRNAs were selected, which in combination produced the best prediction in distinguishing lung adenocarcinoma patients from normal subjects with 80.6% sensitivity and 91.7% specificity. Validation of the marker panel in the independent populations confirmed the sensitivity and specificity that provided a significant improvement over any single one alone. The sputum markers demonstrated the potential of translation to laboratory settings for improving the early detection of lung adenocarcinoma.
Bioactivity of immobilized EGF on self‐assembled monolayers: Optimization of the immobilization process
Authors: Gonçalves Raquel , Martins Maria Cristina Lopes , Oliveira Maria José , Almeida‐Porada Graça , Barbosa Mário Adolfo
Published: March 2010

Last trends in Biomaterials focus the mimic of cellular environments capable to control cellular responses. Epidermal growth factor (EGF) is a pleiotropic cytokine known to regulate cell proliferation, differentiation, and death. This study aims to optimize the immobilization of EGF on 11‐mercapto‐1‐undecyl‐tetra(ethylene)glycol (EG4)—self‐assembled monolayers (SAMs) and to establish a new model surface to study EGF‐mediated signaling. Gold substrates were modified with a monolayer of EG4 and N,N′‐carbonyldiimidazole (CDI) was used to activate hydroxyl terminated groups of EG4‐SAMs. EGF was then immobilized on activated EG4‐SAMs at pH 7.4, 4°C, and 100 rpm. Different immobilization reaction times were tested as well as different CDI concentrations to optimize the reaction conditions and obtain a range of immobilized EGF concentrations on the surfaces. Surface characterization of EGF‐SAMs was performed using radiolabeling, water contact angle measurements, X‐ray photoelectron spectroscopy, and ELISA. Phosphorylation of EGFR on BT‐20 breast cancer cell line by EGF‐SAMs was tested by immunostaining. EGF was successfully immobilized on EG4‐SAMs, at 4°C and pH 7.4 in a range of concentrations from 3.6 ± 0.8 to 17.6 ± 1.5 ng/cm2. The concentration of EGF increases with immobilization time and with the CDI concentration reaching the maximum for surfaces activated with 30 mg/mL of CDI after 48 h. The bioactivity of EGF‐SAMs was confirmed by immunostaining of phospho‐EGFR of BT‐20 cells. This study described EGF immobilization on EG4‐SAMs at different concentrations, which could be important surface models to study specific protein interactions at the molecular level evolving EGF‐family of proteins. © 2010 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 2010
Differences in the bone differentiation properties of MC3T3‐E1 cells on polished bulk and sputter‐deposited titanium specimens
Authors: Oya Kei , Tanaka Yuta , Moriyama Yoshihisa , Yoshioka Yuki , Kimura Tsuyoshi , Tsutsumi Yusuke , Doi Hisashi , Nomura Naoyuki , Noda Kazuhiko , Kishida Akio , Hanawa Takao
Published: March 2010

The roughness and cleanness of a titanium surface must be controlled in order to investigate the expression mechanism of hard tissue compatibility on titanium. In this study, osteogenic MC3T3‐E1 cells were cultured and differentiation‐induced on bulk and sputter‐deposited titanium specimens, and the osteogenesis were investigated. For the preparation of bulk specimens, titanium discs were mirror‐polished. On the other hand, titanium was sputter‐deposited on smooth and clean cover glasses as sputter‐deposited specimens. As a result, no significant difference was observed in the cell morphology and attached number. On the other hand, the time showing maximum activity in the alkaline phosphatase and gene expressions, which are related to bone differentiation on the bulk titanium, were superior to those on the sputter‐deposited titanium. From the surface observation of the specimens with a scanning electron microscope and a scanning probe microscope, the surface on the sputter‐deposited titanium was more uniform and cleaner than that on the bulk titanium. According to X‐ray photoelectron spectroscopy, the thickness of surface oxide film on the sputter‐deposited titanium was smaller than that on the bulk titanium. In addition, the proportions of TiO and Ti2O3 in the surface oxide film on the sputter‐deposited titanium were larger than those on the bulk titanium. These differences might influence the differentiation of osteoblastic cells. © 2010 Wiley Periodicals, Inc. J Biomed Mater Res Part A, 2010
Identification of osteoconductive and biodegradable polymers from a combinatorial polymer library
Authors: Brey Darren M. , Chung Cindy , Hankenson Kurt D. , Garino Jonathon P. , Burdick Jason A.
Published: March 2010

Combinatorial polymer syntheses are now being utilized to create libraries of materials with potential utility for a wide variety of biomedical applications. We recently developed a library of photopolymerizable and biodegradable poly(β‐amino ester)s (PBAEs) that possess a range of tunable properties. In this study, the PBAE library was assessed for candidate materials that met design criteria (e.g., physical properties such as degradation and mechanical strength and in vitro cell viability and osteoconductive behavior) for scaffolding in mineralized tissue repair. The most promising candidate, A6, was then processed into three‐dimensional porous scaffolds and implanted subcutaneously and only presented a mild inflammatory response. The scaffolds were then implanted intramuscularly and into a critical‐sized cranial defect either alone or loaded with bone morphogenetic protein‐2 (BMP‐2). The samples in both locations displayed mineralized tissue formation in the presence of BMP‐2, as evident through radiographs, micro‐computed tomography, and histology, whereas samples without BMP‐2 showed minimal or no mineralized tissue. These results illustrate a process to identify a candidate scaffolding material from a combinatorial polymer library, and specifically for the identification of an osteoconductive scaffold with osteoinductive properties via the inclusion of a growth factor. © 2010 Wiley Periodicals, Inc. J Biomed Mater Res Part A, 2010
Furan ring recyclization in 2‐furfurylthieno[2,3‐b]pyridines: An intramolecular N‐alkylation of pyrrole ring under acid conditions
Authors: Kosulina Darya Yu. , Vasilin Vladimir K. , Stroganova Tatyana A. , Kaklyugina Tatyana Ya. , Krapivin Gennady D.
Published: March 2010

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The preparation of new 3‐amino‐2‐furfurylthieno[2,3‐b]pyridines (1a, 1b, 69–80%) is described. Subsequent acidic rearrangement of 1a, 1b afforded two new annulated heterocyclic products, 5a, 5b, pyrrolothieno[2,3‐b]pyridines (45–74%), and 6, pyridothieno[2,3‐b]pyrrolizine (22%), depending on reaction conditions. J. Heterocyclic Chem., (2010).
An efficient one‐pot three component synthesis of 1,2‐dihydro‐1‐arylnaphtho[1,2‐e][1,3]oxazine‐3‐ones using montmorillonite K10 under solvent free conditions
Authors: Kantevari Srinivas , Vuppalapati Srinivasu V. N. , Bantu Rajashaker , Nagarapu Lingaiah
Published: March 2010

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An efficient green protocol for the preparation of 1,2‐dihydro‐1‐arylnaphtho[1,2‐e][1,3]oxazine‐3‐ones employing a three‐component one‐pot condensation reaction of β‐naphthol, aromatic aldehyde, urea or thiourea in the presence of montmorillonite K10 clay under solvent free conditions has been described. The present procedure offers advantages such as shorter reaction time (<90 min), simple workup, excellent yields, recovery and reusability of catalyst. J. Heterocyclic Chem., (2010).
Rearrangement of 2‐bromo‐N‐quinoline‐8‐yl‐acetamide leading to new heterocycle
Authors: Kalita Dipjyoti , Baruah Jubaraj B.
Published: March 2010

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A four fused rings containing heterocyclic compound is formed in the reaction between 2‐bromo‐N‐quinoline‐8‐yl‐acetamide, 2‐(4‐methoxyphenyl)ethylamine, and acetone in the presence of potassium carbonate; the heterocycle undergoes further reaction with perchloric acid to form a perchlorate salt of a quinoxaline derivative. J. Heterocyclic Chem., (2010).
A novel synthetic route to synthesize 2,4,8,10‐tetraoxaspiro[5.5]‐undecane from formaldehyde under hydrothermal conditions
Authors: Maheen Gull , Tian Ge , Song Zhiguang , He Chao , Shi Zhan , Liu Ziwei , Yuan Hongming , Feng Shouhua
Published: March 2010

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We report here the hydrothermal synthesis of 2,4,8,10‐tetraoxaspiro[5.5]‐undecane by using formaldehyde, the only precursor, in the presence of kaolin clay and boric acid. The reported method is the simplest one to synthesize the aforementioned product. J. Heterocyclic Chem., (2010).
Simple single‐step single‐enzyme synthesis of [14C]‐GSH
Authors: de Keczer Steve A. , Voronin Tatyana , Yao Jennifer , Zhang Fang‐Jie , Masjedizadeh Mohammad R.
Published: March 2010

The tri‐peptide [14C]‐glutathione ([14C]‐GSH) was synthesized in a single step by GSH synthetase catalyzed reaction of L‐γ‐glutamyl‐L‐cysteine and [14C]‐glycine. Preparative reverse phase HPLC afforded [14C]‐GSH in 30% yield and 98% purity. Preparation of GSH synthetase from E. coli via recombinant DNA and the interconversion of [14C]‐GSH to the disulfide [14C]‐GSSG for storage are discussed. Copyright © 2010 John Wiley & Sons, Ltd.
An investigation into the impact of vacation travel on the tourist
Authors: Alexander Zoë , Bakir Ali , Wickens Eugenia
Published: March 2010

This paper explored the impact of vacation travel on the ‘self’ using a questionnaire survey and interviews. Vacation travel emerged as a form of learning about the self, a journey of self‐discovery rather than self‐recovery. Travel impacts are predominantly self‐centered, producing changes that provide opportunities for personal growth. Experiences leading to these changes are mainly influenced by interactions with the ‘other’. Importantly, no significant association was found between personality type and being impacted, and no difference was found between a pleasurable and a miserable experience and being impacted. Both findings offer a contribution to knowledge and a platform for further research. Copyright © 2010 John Wiley & Sons, Ltd.
Two singular point linear Hamiltonian systems with an interface condition
Authors: Behncke Horst , Hinton Don
Published: February 2010

We consider the problem of a linear Hamiltionian system on ℝ with an interface condition which we take to be at x = 0. Assuming limit point conditions at ±∞, we prove the problem is uniquely solvable, and a resolvent is constructed. Our method of solution is to map the problem onto a half line problem of double size and apply the theory of half line problems. A Titchmarsh‐Weyl function is associated with the problem, and a unitary transform is constructed which maps the differential operator onto the multiplication operator in the Hilbert space determined by the spectral function ρ (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Restless legs syndrome in a population of northern Tanzania: A community‐based study
Authors: Winkler Andrea Sylvia , Trendafilova Anna , Meindl Michael , Kaaya John , Schmutzhard Erich , Kassubek Jan
Published: March 2010

Restless legs syndrome (RLS) is a highly prevalent movement disorder. However, prevalences seem to vary amongst different ethnicities. To date, no community‐based prevalence studies on RLS have been reported from the African continent. We have conducted a community‐based, door‐to‐door study in northern Tanzania. Over a period of 16 months, 7,654 people aged 14 years and older were screened for the RLS Essential Diagnostic Criteria. Sampling was performed according to the method of “multistage cluster sampling.” People who screened positive where reinterviewed and physically examined by a specialist neurologist. During the screening phase, 10 people answered “yes” to at least one of the screening questions. After reinterviewing those people, the result was confirmed in five people only. After careful re‐evaluation of the results, only one person was diagnosed with RLS. Because of methodological limitations a definite prevalence may only be calculated from larger population‐based studies of different African ethnicities with screening questions adapted to the cultural context. © 2010 Movement Disorder Society
Complex paroxysmal nocturnal behaviors in Parkinson's disease
Authors: Manni Raffaele , Terzaghi Michele , Repetto Alessandra , Zangaglia Roberta , Pacchetti Claudio
Published: March 2010

Complex paroxysmal nocturnal motor behavioral disorders (CPNBs) are frequently reported in patients with Parkinson's disease (PD). REM sleep behavior disorder (RBD) is reported in at least a third of PD patients, although CPNB episodes can also occur on arousal from NREM sleep. It is important to establish the nature of CPNBs occurring in PD, as the different types have different neurobiological significance and clinical importance, and also different treatments. Ninety‐six PD patients with and without CPNBs were submitted to overnight in‐hospital video‐polysomnography. Of these, 76 (47 men) were included in the study analysis: these were patients in whom it was possible to establish the presence or absence of CPNBs and to obtain a clear‐cut diagnosis of the nature of the CPNBs reported. The CPNBs were found to be RBD episodes in 39 cases (87%) and nonRBD episodes in 6 (13%) (arousal‐related episodes arising from NREM sleep in 3 cases and from REM sleep in 2 cases, parasomnia overlapping syndrome in 1 case). In 4 of the 6 subjects with nonRBD episodes, these occurred upon arousal at the end of an obstructive apnoeic event. Our data confirm that CPNBs in PD are, in most cases, RBD episodes. However, arousal‐related episodes accounted for 13% of the CPNBs observed in our sample and occurred in close temporal association with sleep‐disordered breathing (SDB). The arousal system is defective in extrapyramidal diseases due to neurodegenerative changes involving the brain stem reticular network; against this background, a trigger effect of SDB on CPNBs, through induction of abrupt arousal, may be hypothesized. © 2010 Movement Disorder Society
Long‐term antidyskinetic efficacy of amantadine in Parkinson's disease
Authors: Wolf Elisabeth , Seppi Klaus , Katzenschlager Regina , Hochschorner Guenter , Ransmayr Gerhard , Schwingenschuh Petra , Ott Erwin , Kloiber Iris , Haubenberger Dietrich , Auff Eduard , Poewe Werner
Published: March 2010

Several randomized placebo‐controlled trials have consistently shown antidyskinetic effects of amantadine in levodopa treated patients with advanced Parkinson's disease (PD). However, all of these were of short duration and there have been claims that the effect of amantadine on levodopa induced dyskinesias (LID's) wear off after about 9 months of treatment. This randomized placebo‐controlled parallel‐group study was performed to assess the long‐term antidyskinetic effect of amantadine in 32 PD patients, who after having been on stable amantadine therapy for LID over at least one year‐ were switched in a double blind manner to amantadine or placebo and followed for 3 weeks. Dyskinesia duration and intensity were assessed by UPDRS IV items 32 and 33 as well as by patient's diaries. The primary outcome was the score change of UPDRS IV items 32 + 33 between baseline and 3 weeks after treatment as well as the between treatment group comparison of the score change of UPDRS IV items 32 + 33. There was a significant increase of UPDRS IV items 32 + 33 in patients treated with placebo from 3.06 (95% CI, 2.1–4.03) at baseline to 4.28 (95% CI, 3.1–5.4) at three‐week follow‐up (P = 0.02) compared with no significant change between baseline 3.2 (95% CI, 2.1–4.4) to follow‐up 3.6 (95% CI, 2.3–4.8) in patients staying on amantadine. These findings argue for long‐term antidyskinetic efficacy of amantadine in PD patients with LID's. © 2010 Movement Disorder Society
Cell‐free expression profiling of E. coli inner membrane proteins
Authors: Schwarz Daniel , Daley Daniel , Beckhaus Tobias , Dötsch Volker , Bernhard Frank
Published: March 2010

The high versatility and open nature of cell‐free expression systems offers unique options to modify expression environments. In particular for membrane proteins, the choice of co‐translational versus post‐translational solubilization approaches could significantly modulate expression efficiencies and even sample qualities. The production of a selection of 134 α‐helical integral membrane proteins of the Escherichia coli inner membrane proteome focussing on larger transporters has therefore been evaluated by a set of individual cell‐free expression reactions. The production profiles of the targets in different cell‐free expression modes were analyzed independently by three screening strategies. Translational green fluorescent protein fusions were analyzed as monitor for the formation of proteomicelles after cell‐free expression of membrane proteins in the presence of detergents. In addition, two different reaction configurations were implemented and performed either by robotic semi‐throughput approaches or by individually designed strategies. The expression profiles were specified for the particular cell‐free modes and overall, the production of 87% of the target list could be verified and approximately 50% could already be synthesized in preparative scales. The expression of several selected targets was up‐scaled to milliliter volumes and milligram amounts of production. As an example, the flavocytochrome YedZ was purified and its sample quality was demonstrated.
Conformational analysis of 3,3‐dimethyl‐3‐silathiane, 2,3,3‐trimethyl‐3‐silathiane and 2‐trimethylsilyl‐3,3‐dimethyl‐3‐silathiane—preferred conformers, barriers to ring inversion and substituent effects
Authors: Kirpichenko Svetlana V. , Kleinpeter Erich , Shainyan Bagrat A.
Published: March 2010

The first conformational analysis of 3‐silathiane and its C‐substituted derivatives, namely, 3,3‐dimethyl‐3‐silathiane 1, 2,3,3‐trimethyl‐3‐silathiane 2, and 2‐trimethylsilyl‐3,3‐dimethyl‐3‐silathiane 3 was performed by using dynamic NMR spectroscopy and B3LYP/6‐311G(d,p) quantum chemical calculations. From coalescence temperatures, ring inversion barriers ΔG≠ for 1 and 2 were estimated to be 6.3 and 6.8 kcal/mol, respectively. These values are considerably lower than that of thiacyclohexane (9.4 kcal/mol) but slightly higher than the one of 1,1‐dimethylsilacyclohexane (5.5 kcal/mol). The conformational free energy for the methyl group in 2 (−ΔG° = 0.35 kcal/mol) derived from low‐temperature 13C NMR data is fairly consistent with the calculated value. For compound 2, theoretical calculations give ΔE value close to zero for the equilibrium between the 2‐Meax and 2‐Meeq conformers. The calculated equatorial preference of the trimethylsilyl group in 3 is much more pronounced (−ΔG° = 1.8 kcal/mol) and the predominance of the 3‐SiMe3 eq conformer at room temperature was confirmed by the simulated 1H NMR and 2D NOESY spectra. The effect of the 2‐substituent on the structural parameters of 2 and 3 is discussed. Copyright © 2010 John Wiley & Sons, Ltd.
Superacid mediated hydroxyalkylation reaction of 1,2,3‐indanetrione: a theoretical study
Authors: Nieto Daniel Romero , Zolotukhin Mikhail G. , Fomina Lioudmila , Fomine Serguei
Published: March 2010

Energies of mono‐ and multiprotonation for 1,2,3‐indanetrione and ninhydrin in triflic acid (TFSA) media were estimated at PBE0/aug‐cc‐pvtz//6‐31+G** level of theory. The reactivity of formed intermediates in the reaction of aromatic electrophilic substitution has been studied at the same level of theory. It appears that the basicity of carbonyl groups in 1,2,3‐indanetrione is extremely low due to mutual influences of carbonyl groups. Carbonyl 2 is the least basic but the most reactive in accordance with experiment. Calculations demonstrated that monoprotonated intermediates are the principal reactive species in the reaction of hydroxyalkylation of 1,2,3‐indanetrione in TFSA. A new isomerization mechanism of 2,2‐diaryl‐1,3‐indanediones to 3‐(diarylmethylene)isobenzofuranones in TFSA media has been proposed. Copyright © 2010 John Wiley & Sons, Ltd.
Internal motion in protein crystal structures
Authors: Schmidt Andrea , Lamzin Victor S.
Published: March 2010

The binding states of the substrates and the environment have significant influence on protein motion. We present the analysis of such motion derived from anisotropic atomic displacement parameters (ADPs) in a set of atomic resolution protein structures. Local structural motion caused by ligand binding as well as functional loops showing cooperative patterns of motion could be inferred. The results are in line with proposed protonation states, hydrogen bonding patterns and the location of distinctly flexible regions: we could locate the mobile active site loop in a virus integrase, distinguish the subdomains in RNAse A and hydroxynitrile lyase, and reconstruct the molecular architecture in a xylanase. We demonstrate that the ADP‐based motion analysis provides information at high level of detail and that the structural changes needed for substrate attachment or release may be derived from single X‐ray structures.
Generalized Foster's identities
Authors: Cinkir Zubeyir
Published: March 2010

Foster's network theorems and their extensions to higher orders involve resistance values and conductances. We establish identities concerning voltage values and conductances. Our identities are analogous to the extended Foster's identities. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Gas‐phase reaction mechanism of Pd+ with CH3CHO: A density functional theoretical study
Authors: Ding Ning , Zhang Shi‐Guo
Published: March 2010

Details on the reactions of: (1) Pd+ + CH3CHO → PdCO+ + CH4 and (2) Pd+ + CH3CHO → PdH + CH3CO+ in the gas phase were investigated using density functional theory (B3LYP), in conjunction with the LANL2DZ+6‐311+G(d) basis set. Three encounter complexes were located on the potential energy surfaces and the calculations indicated that both the CC and aldehyde CH bond activation of acetaldehyde could lead to the dominant demethanation reaction. The charge transfer process for PdH abstraction was caused by an intramolecular PdH rearrangement of the newly found η1‐aldehyde attached complex. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
A model investigation of ab initio geometries for identity and nonidentity substitution with three‐center four‐ and three‐electron transition states
Authors: Buck Henk M.
Published: March 2010

With the van't Hoff model derived from the dynamics of a regular tetrahedron in which the interstitial carbon changes its position from tetrahedral into a trigonal (bi)pyramidal configuration, the introduction of dimensionless ratio numbers (R) can serve to localize significant points on the principal reaction coordinate. These numbers are expressed as R(d) and R(n) based on transition state geometries and the number of electrons involved in the three‐center bonding, respectively. Using this concept, we obtain a model for the evaluation of different ab initio calculations based on identity and nonidentity substitution reactions for three‐center four‐ and three‐electron bonding transition states. Similar ratio numbers have been derived for proton exchange reactions. The reactions under investigation show clearly that in spite of the differences in chemical outcome the transition steps reduced to the first principles of chemical bonding are similar. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011