bluuebunny/crossref_metadata_2025_split huggingface dataset:
How to Extend the Use of Grid‐Based Interaction Energy Maps from Chemistry to Biotopics
Authors: Caron Giulia , Nurisso Alessandra , Ermondi Giuseppe 
Published: December 2008

AbstractMany computational tools routinely used in chemistry could successfully be applied to the biosciences since protein–protein and protein–ligand interactions are governed by the laws of chemistry. This paper shows that it is possible to extend the use of existing computational tools from their traditional application field (e.g.chemistry) to culturally‐related research areas by the implementation of simple but well‐designed utilities. In particular, a computational strategy obtained by combining GRID (the program originally designed by Peter Goodford, and now distributed by Molecular Discovery Ltd.) and BIOCUBE4mf (an application freely available atwww.casmedchem.unito.it) was used to a) characterize the surface properties of the cavity of theBacillus anthracisprotective antigen heptameric prepore; b) suggest how to design mutagenesis experiments; c) quantitatively show the selectivity of the KvAP channel for K+over Na+ions and d) rationalize the pharmacokinetic behavior of 1,4‐DHP third‐generation drugs.
Virtual Screening and Biological Characterization of Novel Histone Arginine Methyltransferase PRMT1 Inhibitors
Authors: Heinke Ralf , Spannhoff Astrid , Meier Rene , Trojer Patrick , Bauer Ingo , Jung Manfred , Sippl Wolfgang 
Published: December 2008

AbstractLysine and arginine methyltransferases participate in the posttranslational modification of histones and regulate key cellular functions. Protein arginine methyltransferase 1 (PRMT1) has been identified as an essential component of mixed lineage leukemia (MLL) oncogenic complexes, revealing its potential as a novel therapeutic target in human cancer. The first potent arginine methyltransferase inhibitors were recently discovered by random‐ and target‐based screening approaches. Herein we report virtual and biological screening for novel inhibitors of PRMT1. Structure‐based virtual screening (VS) of the Chembridge database composed of 328 000 molecules was performed with a combination of ligand‐ and target‐based in silico approaches. Nine inhibitors were identified from the top‐scored docking solutions; these were experimentally tested using human PRMT1 and an antibody‐based assay with a time‐resolved fluorescence readout. Among several aromatic amines, an aliphatic amine and an amide were also found to be active in the micromolar range.
Indoor tanning use among adolescents in the US, 1998 to 2004
Authors: Cokkinides Vilma , Weinstock Martin , Lazovich DeAnn , Ward Elizabeth , Thun Michael 
Published: December 2008

AbstractBACKGROUND:A recent meta‐analysis found that indoor tanning use before the age of 35 years increases the risk of melanoma, supporting policies to restrict indoor tanning use among adolescents. The objectives of the current study were to provide a national assessment of prevalence and trends of indoor tanning use among US adolescents, to examine changes in the prevalence of indoor tanning use from 1998 to 2004 in relation to state policies on minors' access, and to assess the prevalence of burns, rashes, and infections among users.METHODS:Two cross‐sectional population‐based surveys of US youths ages 11 to 18 years and their parents/guardians conducted in 1998 (N = 1196) and 2004 (N = 1613) used identical questions to assess use of indoor tanning and correlates of this behavior.RESULTS:The prevalence of indoor tanning use by adolescents within the past year changed little from 1998 to 2004 (10% to 11%). In states with policies regarding minors' access to indoor tanning, the prevalence stayed the same or decreased from 1998 to 2004, whereas it increased in states without such policies. Neither trend was found to be statistically significant. Youth tanning attitudes, parental indoor tanning use, and parents' permission were strongly associated with youth use of indoor tanning. Fifty‐eight percent of users reported burns from indoor tanning.CONCLUSIONS:The presence of state legislation restricting minors' access to indoor tanning appears to have limited effectiveness, perhaps because most states' policies permit use with parental consent. Multipronged approaches are needed to reduce indoor tanning use in youths. Cancer 2009. Published 2008 by the American Cancer Society.
Hydrogen Molecules Trapped in Interstitial Host Channels of α‐Hydroquinone
Authors: Yoon Ji‐Ho , Lee Yun‐Je , Park Jeasung , Kawamura Taro , Yamamoto Yoshitaka , Komai Takeshi , Takeya Satoshi , Han Sang Sup , Lee Jong‐Won , Lee Yongjae 
Published: December 2008

AbstractEasy come, easy go: Hydroquinone forms a channel structure of cages with hydrogen‐bonded hexagons. These may provide an ideal route for the fast inclusion and facile release of hydrogen molecules (see figure), which can lead to reversible hydrogen storage under mild conditions.magnified image
Vaporisation of a Dicationic Ionic Liquid
Authors: Lovelock Kevin R. J. , Deyko Alexey , Corfield Jo‐Anne , Gooden Peter N. , Licence Peter , Jones Robert G. 
Published: December 2008

AbstractHighest heat of vaporization yet: The dicationic ionic liquid [C3(C1Im)2][Tf2N]2 evaporates as a neutral ion triplet. These neutral ion triplets can then be ionised to form singly and doubly charged ions. The mass spectrum exhibits the dication attached to one remaining anion, and the naked dication itself (see picture).magnified image
Analysis and modeling of growing budding yeast populations at the single cell level
Authors: Porro Danilo , Vai Marina , Vanoni Marco , Alberghina Lilia , Hatzis Christos 
Published: December 2008

AbstractModel organisms and in particular the budding yeast Saccharomyces cerevisiae have been instrumental in advancing our understanding of cell cycle progression. The asymmetric division of the budding yeast and the tight coupling between cell growth and division have challenged the theoretical understanding of the cell size structure of growing yeast populations. Past efforts have centered on modeling the steady‐state theoretical age distribution for asymmetric division from which a cell size distribution can be derived assuming dispersion of cell size within each age class. Different developments, especially in the field of flow cytometry, allowed the determination of a number of cellular properties and their joint distributions for the entire population and the different subpopulations as well. A new rigorous framework for modeling directly the dynamics of size distributions of structured yeast populations has been proposed, which readily extends to modeling of more complex conditions, such as transient growth. Literature on the structure of growing yeast populations and modeling of cell cycle progression is reviewed. © 2008 International Society for Advancement of Cytometry
Cancer therapeutics: reflections on natural killer cells
Authors: Gurwitz David 
Published: December 2008

AbstractCancer remains a leading cause of death globally, including in developing countries. In spite of the introduction of several new drugs to the anti‐cancer arsenal in recent years, including monoclonal antibodies and selective tyrosine kinase inhibitors blocking the action of cancer‐promoting hormones, full remission remains exceptional in many common cancers including lung, pancreas, and stomach cancers. One aspect of cancer therapeutics that remains mostly neglected is developing drugs for promoting the capacity of the innate immune system, most notably the natural killer cells, to recognize and destroy cancer cells. Minimizing the inhibition of natural killer cells' cytotoxic activity by current cancer therapeutics also deserves further consideration in cancer research. Better understanding of the physiology of the immune cells, in particular of factors regulating the action and differentiation of natural killer cells and their migration into tumor tissues, seems worthy of more in‐depth research toward developing new cancer drugs. In this context, the potential of selective cannabinoid receptor agonists and fatty acid amid hydrolase inhibitors as immune‐enhancing drugs deserves extra attention. Drug Dev Res 69:285–288, 2008. © 2008 Wiley‐Liss, Inc.
New cancer drugs targeting the biosynthesis of estrogens and androgens
Authors: Poirier Donald 
Published: December 2008

AbstractThe enzymes involved in the synthesis of steroids are very interesting therapeutic targets. By reducing the levels of androgens and estrogens that stimulate the proliferation of cancer cells, a potent and selective inhibitor of a key‐steroidogenic enzyme may become an alternative or a complementary strategy to the use of an antiandrogen or an antiestrogen for the treatment of prostate cancer or breast and endometrial cancers, respectively. Five enzymes, namely 17α‐hydroxylase 17α‐lyase, aromatase, 17β‐hydroxysteroid dehydrogenases, 5α‐reductases, and steroid sulfatase were especially studied and found to be interesting targets for the development of inhibitors as potential cancer drugs. The present review will summarize the role of these five enzymes and their inhibitors with a special highlight about the molecules more recently reported in the literature and exhibiting dual therapeutic action. Drug Dev Res 69:304–318, 2008. © 2008 Wiley‐Liss, Inc.
Top NOTCH targets: notch signaling in cancer
Authors: Jun H. Toni , Stevens Jennitte , Kaplan‐Lefko Paula 
Published: December 2008

AbstractThe evolutionarily conserved Notch signaling pathway controls diverse events such as cell fate determination, proliferation, apoptosis, and stem cell maintenance. Dysregulation of this pathway has been implicated as a causative event in multiple cancers, including T‐cell acute lymphoblastic leukemia (T‐ALL), where mutation of Notch1 occurs in >50% of patients. Although mutation has not been observed in solid tumors, changes in expression of ligands and receptors, as well as pathway modulators, may play a role in pathogenesis. More recent evidence suggests that Notch signaling is also critical in tumor angiogenesis. We review the data that support the development of therapeutics to target the Notch pathway for the treatment of cancer. Drug Dev Res 69:319–328, 2008. © 2008 Wiley‐Liss, Inc.
Integrin αvβ3‐targeted cancer therapy
Authors: Liu Zhaofei , Wang Fan , Chen Xiaoyuan 
Published: December 2008

AbstractAnti‐angiogenesis is a promising strategy for the treatment of cancer. Integrins, consisting of two noncovalently bound transmembrane α and β subunits, are an important molecular family involved in tumor angiogenesis. The blockade of integrin signaling has been demonstrated to be efficient to inhibit tumor growth, angiogenesis, and metastasis. Among all the integrins, αvβ3 seems to be the most important one during tumor angiogenesis. The inhibition of integrin αvβ3 signaling with antibodies, peptides, peptidomimetics, and other antagonists has great potential in the treatment of cancer. In addition, integrin αvβ3 is highly expressed on activated endothelial cells, new‐born vessels as well as some tumor cells, but is not present in resting endothelial cells and most normal organ systems, making it a suitable target for anti‐angiogenic therapy. In this article we will review the role of integrin αvβ3 in angiogenesis, present recent progress in the use of integrin αvβ3 antagonists and integrin‐targeted delivery systems as potential cancer therapeutics, and discuss future perspectives. Drug Dev Res 69:329–339, 2008. © 2008 Wiley‐Liss, Inc.
EGFR inhibition in the treatment of non‐small cell lung cancer
Authors: Gerber David E. 
Published: December 2008

AbstractEpidermal growth factor receptor (EGFR) inhibitors have introduced the concept of targeted therapy to the treatment of non‐small cell lung cancer (NSCLC). These agents appear most effective in patients with tumors that are highly dependent on EGFR signaling pathways, a population that disproportionately includes females, nonsmokers, individuals of East Asian origin, and patients with adenocarcinoma histology. Currently available EGFR‐inhibiting drugs include the tyrosine kinase inhibitors (TKIs) erlotinib, gefitinib, and lapatinib, which are administered orally and interfere with the intracellular tyrosine kinase domain, and the monoclonal antibodies (mAbs) cetuximab and panitumumab, which are administered intravenously and interfere with extracellular ligand binding. While the use of EGFR TKIs as monotherapy prolongs survival in metastatic NSCLC, they have demonstrated no benefit when added to conventional, cytotoxic chemotherapy. In contrast, the anti‐EGFR mAb cetuximab appears most effective when combined with chemotherapy or radiation. Despite dramatic initial responses to treatment in some cases, NSCLC eventually becomes resistant to EGFR inhibition. Possible mechanisms include secondary mutations that interfere with drug binding, oncogenic pathways driven by other receptor tyrosine kinases, and independent activity of downstream signaling molecules. Efforts to overcome such resistance include irreversibly binding EGFR TKIs, multi‐targeted TKIs, and combinations with chemotherapy, radiation, and other targeted therapies. Drug Dev Res 69:359–372, 2008 © 2008 Wiley‐Liss, Inc.
Summary of ‘Continuous heparin infusion to prevent thrombosis and catheter occlusion in neonates with peripherally placed percutaneous central venous catheters’
Authors: Shah P. S. , Shah V. S. 
Published: December 2008

AbstractThis is a summary of a Cochrane review, published in this issue of EBCH, first published as: Shah PS, Shah VS. Continuous heparin infusion to prevent thrombosis and catheter occlusion in neonates with peripherally placed percutaneous central venous catheters. Cochrane Database of Systematic Reviews 2008, Issue 2. Art. No.: CD002772. DOI: 10.1002/14651858.CD002772.pub3.Further information for this Cochrane review is available in this issue of EBCH in the accompanying Commentary and Characteristics and Key Findings Tables. Copyright © 2008 The Cochrane Collaboration. Published by John Wiley & Sons, Ltd. The Cochrane Collaboration
The Cochrane Library and Long‐Acting Beta‐agonist Treatment for Childhood Asthma: An Overview of Reviews
Authors: Plint Amy C. , Russell Kelly , Bjornson Candice L. , Rowe Brian H. 
Published: December 2008

AbstractBackgroundAsthma is characterized by chronic airway inflammation and affects many children. One treatment option used to control asthma symptoms is the class of medications known as the long acting β2‐agonists (LABA) and they are often used in combination with inhaled corticosteroids (ICS). The use of LABA in children has been widely debated in the literature.ObjectivesTo synthesize the evidence currently in the Cochrane Library of systematic reviews related to the question: ‘In children with symptomatic asthma, does treatment with a LABA as a primary or add‐on therapy to ICS improve objective measures of lung function and asthma symptom control, reduce exacerbations, and improve quality of life?’.MethodsThe Cochrane Database of Systematic Reviews was searched using the term ‘asthma’ in the title for all systematic reviews examining LABA vs any other pharmacological agent for the treatment of asthma. Data were extracted and entered into tables; syntheses occurred using qualitative and quantitative methods.Main ResultsSeven reviews were identified; however, only four reviews contained data for children. There was no significant difference in the asthma exacerbations among those treated with LABA or any other treatment. For those treated with LABA with no/varied ICS vs placebo with no/varied ICS, there was a significant improvement in percent predicted forced expiratory volume in the first second (FEV1) and a significant number of children had a ≥ 15% increase in FEV1. There was also a significant reduction in the change in whole day rescue medication, fewer asthma related night‐time wakenings, and lower symptom scores for LABA with no/varied ICS. Change in FEV1 (Litres (L) or percent predicted) and improvement in morning and evening peak expiratory flow (PEF) favoured LABA and ICS vs fixed dose ICS and placebo. There was a significantly higher risk of adverse events among those receiving LABA and ICS compared to ICS with or without placebo.Authors' ConclusionsThere is no clear benefit to LABA in preventing asthma exacerbations in children. While there is a paucity of evidence in this area, ICS should remain the controller therapy of choice; however, the addition of LABA to ICS may result in improvement in pulmonary function measures, reduce the use of rescue medications and improve quality of life measures in children with chronic asthma. Copyright © 2008 The Cochrane Collaboration. Published by John Wiley & Sons, Ltd. The Cochrane Collaboration
Commentary on ‘Cooling for newborns with hypoxic‐ischaemic encephalopathy’
Authors: Roland Elke 
Published: December 2008

AbstractThis is a commentary on a Cochrane review, published in this issue of EBCH, first published as:
Jacobs SE, Hunt R, Tarnow‐Mordi WO, Inder TE, Davis PG. Cooling for newborns with hypoxic ischaemic encephalopathy. Cochrane Database of Systematic Reviews 2007, Issue 4. Art. No.: CD003311. DOI: 10.1002/14 651 858.CD003311.pub2.Further information for this Cochrane review is available in this issue of EBCH in the accompanying EBCH Summary and Characteristics and Key Findings Tables. Copyright © 2008 The Cochrane Collaboration. Published by John Wiley & Sons, Ltd. The Cochrane Collaboration
Summary of ‘Cooling for newborns with hypoxic ischaemic encephalopathy’
Authors: Milne Andrea 
Published: December 2008

AbstractThis is a summary of a Cochrane review, published in this issue of EBCH, first published as:
Jacobs SE, Hunt R, Tarnow‐Mordi WO, Inder TE, Davis PG. Cooling for newborns with hypoxic ischaemic encephalopathy. Cochrane Database of Systematic Reviews 2007, Issue 4. Art. No.: CD003311. DOI: 10.1002/14651858.CD003311.pub2.Further information for this Cochrane review is available in this issue of EBCH in the accompanying Commentary and Characteristics and Key Findings Tables. Copyright © 2008 The Cochrane Collaboration. Published by John Wiley & Sons, Ltd. The Cochrane Collaboration
Commentary on ‘Corticosteroids for the prevention and treatment of post‐extubation stridor in neonates, children and adults’
Authors: Joffe Ari R. , Gamble Jonathan J. 
Published: December 2008

AbstractThis is a commentary on a Cochrane review, published in this issue of EBCH, first published as: Markovitz BP, Randolph AG, Khemani RG. Corticosteroids for the prevention and treatment of post‐extubation stridor in neonates, children and adults. Cochrane Database of Systematic Reviews 2008, Issue 2. Art. No. CD001000. DOI:10.1002/14 651 858.CD001000.pub2.Further information for this Cochrane review is available in this issue of EBCH in the accompanying EBCH Summary and Characteristics and Key Findings Tables. Copyright © 2008 The Cochrane Collaboration. Published by John Wiley & Sons, Ltd. The Cochrane Collaboration
Wax ester fraction of edible oils: Analysis by on‐line LC‐GC‐MS and GC×GC‐FID
Authors: Biedermann Maurus , Haase‐Aschoff Paul , Grob Konrad 
Published: December 2008

AbstractThe wax ester fraction of various plant oils was isolated by normal‐phase HPLC (NPLC) on‐line coupled to GC via the on‐column interface and applying concurrent eluent evaporation. The esters were analyzed by on‐line NPLC‐GC‐MS and by comprehensive two‐dimensional GC with flame ionization detection (GC×GC‐FID) off‐line combined with NPLC‐GC. GC×GC‐FID enables to group the various classes of wax esters, in particular the phytol esters, geranylgeraniol esters and the straight‐chain esters of palmitic acids and the unsaturated C18 acids. Optimization of the GC×GC columns and the conditions must take into account the limited thermostability of the diterpene esters. Chromatograms are shown for a range of oils, with particular focus on the various classes of wax esters in olive oil and the geranylgeraniol esters 22:0 and 24:0 in a variety of oils.
Efficacy of myricetin as an antioxidant in methyl esters of soybean oil
Authors: Moser Bryan R. 
Published: December 2008

AbstractThe antioxidant activity of myricetin, a natural flavonol found in fruits and vegetables, was determined in soybean oil methyl esters (SME) and compared with α‐tocopherol and tert‐butylhydroquinone (TBHQ) over a 90‐day period employing EN 14112, acid value, and kinematic viscosity methods. Myricetin had greater antioxidant activity than α‐tocopherol, but was inferior to TBHQ. Synergism was observed between myricetin and TBHQ, but antagonism between α‐tocopherol and either myricetin or TBHQ was discovered. A binary mixture of myricetin and TBHQ at 1000 ppm (1:1) was the most effective treatment investigated at inhibiting oxidation of SME. Myricetin was not completely soluble in SME at 1000 ppm, suggesting that 500 ppm is a more appropriate treatment level. Pro‐oxidant activity of α‐tocopherol was observed when added to SME obtained from crude soybean oil, but antioxidant behavior was observed in distilled SME. Addition of α‐tocopherol to methyl esters initially free of antioxidants revealed that 600–700 ppm was the optimum concentration for antioxidant activity. Acid value and kinematic viscosity remained within prescribed specifications after 90 days, despite failure of a number of samples with regard to EN 14112, suggesting that these parameters are insufficient as sole indicators of oxidation stability.
Characterization of artisanally and semiautomatically extracted argan oils from Morocco
Authors: Cayuela José Antonio , Rada Mirela , Pérez‐Camino María del Carmen , Benaissa Mohamed , Abdelaziz Elamrani , Guinda Ángeles 
Published: December 2008

AbstractThe present study was conducted to know the possible influence of the seed treatment, method of extraction and geographical origin on the quality and chemical composition of argan oil. Artisanally and semiautomatically extracted argan oils, from roasted and unroasted seeds, from interior and coast areas, were studied. The quality parameters analyzed were acid value, peroxide value, K232 and K270, triacylglycerols and fatty acid composition, polar compounds, total phenols, tocopherol content and oil stability index (OSI). Seed treatment and extraction method showed a higher influence on quality parameters than geographical area; the quality parameters of the different oils were discussed. The total phenolic content in all analyzed samples was lower than 10 ppm. γ‐Tocopherol was the major tocopherol (84.4–86.4%) with a high contribution to the total tocopherol content (383–485 ppm). The OSI of the argan oil samples were well correlated (R = 0.97) with the tocopherol contents. The argan oil samples obtained from roasted seeds presented higher stability (26–38 h) than the oils from unroasted seeds (16–32 h).