bluuebunny/crossref_metadata_2025_split huggingface dataset:
A single center experience with same‐day transradial‐PCI patients: A contrast with published guidelines
Authors: Gilchrist Ian C. , Rhodes Denise A. , Zimmerman Helen E. 
Published: May 2011

AbstractObjectives: Our goal was to compare recently published Consensus Statement from the SCAI/ACC on appropriateness for same‐day PCI with patient characteristics from a real‐world same‐day PCI experience in the United States. Background: Recent practice statement published by the SCAI /ACC in 2009 describes patients suitable for outpatient PCI procedures. Whether this practice statement reflects actual real‐world practice in the setting of advances in transradial catheterization needs further exploration. Methods: Pre‐existing, deidentified, quality assurance data from 100 sequential patients undergoing transradial PCI, and same‐day discharge were compared with criteria in SCAI/ACC statement on outpatient PCI. Each had been identified post‐PCI as uncomplicated and therefore eligible for same day discharged. Specific attention was placed on whether the patients carried any exclusion to same‐day discharge. Results: One hundred six procedures were recorded in 100 patients including 11 women and 89 men, median age 62 (55,71) years all with stable ischemia. Early follow up was done for medication compliance. None were readmitted nor had post‐PCI complications. Only 15% met appropriateness criteria for same‐day discharge. Older age, distance from the hospital, greater than simple PCI, and the need for specific antiplatelet therapy represented the dominant contraindications to discharge. Conclusions: Using transradial approaches and structured early follow up by advance practice nurses, same‐day discharge can be accomplished successfully in a broad range of patients outside of those suggested by the SCAI/ACC 2009 Consensus Document. Confirmation of these results could result in shorter hospitalizations for US patients and align advances in catheterization technology to optimize heath care delivery. © 2011 Wiley Periodicals, Inc.
Hybrid therapy for interrupted aortic arch with aortopulmonary window in a low birth weight infant
Authors: Lin Ming‐Chih , Wang Chung‐Chi , Fu Yun‐Ching 
Published: May 2011

AbstractInterrupted aortic arch (IAA) is rarely associated with aortopulmonary window. Single‐stage total correction is the preferred therapeutic option. When total correction is unfeasible, staged repair could be the therapeutic choice. Here, we presented a low birth weight infant who underwent bilateral pulmonary arteries banding and stenting ductus arteriosus by hybrid procedure. Hybrid procedure avoids long‐term central line insertion and guarantees ductal flow. It also avoids the side effects from prostaglandin infusion. © 2011 Wiley Periodicals, Inc.
Quantifying the Electronic Effects of Carbohydrate Hydroxy Groups by Using Aminosugar Models
Authors: Pedersen Christian M. , Olsen Jacob , Brka Azra B. , Bols Mikael 
Published: May 2011

AbstractMethyl amino‐deoxy‐glycosides with α‐ and β‐gluco, α‐galacto, or α‐manno stereochemistry with the amino functionality in each of the four possible non‐anomeric positions have been synthesized and their pKa values determined by titration. These model compounds were chosen because they are the amino derivatives of the most common glycosyl acceptors. From this study it was possible to evaluate the electron density at each of the given positions in the carbohydrate and compare them. Some general trends were observed: The basicity of the amino groups decreases in the order 6‐NH2>3‐NH2>2‐NH2>4‐NH2 (referring to the position). The basicity of a of an amino‐deoxy‐sugar generally increases when one or more substituents on the sugar ring are axial. The basicity decreases when the amine is antiperiplanar to an oxygen atom. These findings are in agreement with the observations obtained from glycosylation chemistry and the regioselective protection of sugars.
Multistep Oligometal Complexation of the Macrocyclic Tris(N2O2) Hexaoxime Ligand
Authors: Akine Shigehisa , Sunaga Shuichi , Nabeshima Tatsuya 
Published: May 2011

AbstractA macrocyclic oxime ligand H6L, which has an O6 cavity surrounded by three N2O2 chelate sites, was synthesized and the multistep oligometal complexation behavior was investigated. Upon complexation with zinc(II), the H6L ligand afforded two kinds of hexanuclear complexes, L2Zn6 then LZn6. Each of the complexation steps proceeded highly efficiently. In the latter complex, a Zn3(μ3‐OH) unit was incorporated into the trimetalated ligand, LZn3. The integrated N2O2 chelate coordination sites provide a unique environment for a homometallic complex. The different nature of the peripheral N2O2 sites and the central O6 site is particularly suitable for the selective formation of heterometallic complexes. Complexation with the zinc(II) ion in the presence of alkaline earth (Ca and Ba) or rare earth (La, Eu, Lu) metal ions afforded the heterotetranuclear complexes LZn3M (M=Ca, Ba, La, Eu, Lu), in which zinc(II) and ion M occupied the N2O2 and O6 sites, respectively. Titration experiments showed that the heterometallic complexes LZn3Ca and LZn3Ba were converted into the homometallic complex LZn6 whereas LZn3La was not. As a result, the binding affinity in the central O6 site of the LZn3 unit is apparently in the order of Ca2+, Ba2+<Zn3(μ3‐OH)<La3+. This difference in the affinities of metal ions as well as the ionic sizes makes the novel conversion efficient, particularly in the case of the three‐step conversion from H6L to H2LZn2Ba, LZn3Ba, then LZn6.
Trafficking of drug candidates relevant for sports drug testing: Detection of non‐approved therapeutics categorized as anabolic and gene doping agents in products distributed via the Internet
Authors: Thevis Mario , Geyer Hans , Thomas Andreas , Schänzer Wilhelm 
Published: May 2011

AbstractIdentifying the use of non‐approved drugs by cheating athletes has been a great challenge for doping control laboratories. This is due to the additional complexities associated with identifying relatively unknown and uncharacterized compounds and their metabolites as opposed to known and well‐studied therapeutics. In 2010, the prohibited drug candidates and gene doping substances AICAR and GW1516, together with the selective androgen receptor modulator (SARM) MK‐2866 were obtained by the Cologne Doping Control Laboratory from Internet suppliers and their structure, quantity, and formulation elucidated. All three compounds proved authentic as determined by liquid chromatography—high resolution/high accuracy (tandem) mass spectrometry and comparison to reference material. While AICAR was provided as a colourless powder in 100 mg aliquots, GW1516 was obtained as an orange/yellow suspension in water/glycerol (150 mg/ml), and MK‐2866 (25 mg/ml) was shipped dissolved in polyethylene glycol (PEG) 300. In all cases, the quantified amounts were considerably lower than indicated on the label. The substances were delivered via courier, with packaging identifying them as containing ‘amino acids’ and ‘green tea extract’, arguably to circumvent customs control. Although all of the substances were declared ‘for research only’, their potential misuse in illicit performance‐enhancement cannot be excluded; moreover sports drug testing authorities should be aware of the facile availability of black market copies of these drug candidates. Copyright © 2011 John Wiley & Sons, Ltd.
High dosage of aripiprazole‐induced dysphagia
Authors: Lin Ta‐Wei , Lee Bo‐Shyan , Liao Yi‐Cheng , Chiu Nan‐Ying , Hsu Wen‐Yu 
Published: May 2011

AbstractBackground:Dysphagia as a main manifestation of extrapyramidal symptoms is an uncommon adverse effect of second‐generation antipsychotics.Method:We present a 54‐year‐old drug‐naïve patient with schizophrenia, who developed dysphagia with aripiprazole 30 mg daily treatment.Results:This is the first case report on aripiprazole‐induced dysphagia. We discuss the risk factors that led to dysphagia in this case.Conclusion:Aripiprazole‐induced dysphagia is rare, and it is important to beaware that it does occur with high‐dosage treatment. © 2011 by Wiley Periodicals, Inc. (Int J Eat Disord 2012)
Human mesenchymal stem cells respond to native but not oxidized damage associated molecular pattern molecules from necrotic (tumor) material
Authors: Lotfi Ramin , Eisenbacher Judith , Solgi Ghasem , Fuchs Karin , Yildiz Tatjana , Nienhaus Christian , Rojewski Markus T. , Schrezenmeier Hubert 
Published: May 2011

AbstractNecrosis is a characteristic feature of advanced solid tumors. Released necrotic factors, also referred to as damage associated molecular patterns (DAMPs), are known to critically impact the tumor microenvironment by enhancing angiogenesis or influencing the immune response. We have recently shown that DAMPs can act as chemoattractants and activators of granulocytes. We demonstrate that necrotic material from both normal and tumor cells promotes proliferation and trafficking of human mesenchymal stem cells (MSCs). We characterize the protein high mobility group box 1 (HMGB1) as a crucial member of DAMPs within necrotic material. In addition, we show that DAMPs interfere with expression of indoleamine 2, 3‐dioxygenase (IDO) in MSCs. The biological activity of necrotic material toward MSCs is abolished once these DAMPs are oxidized. MSCs found within tumor tissue can act as immunoregulatory cells and are able to promote tumor metastasis, thus playing a crucial role within the tumor microenvironment. Here, we reveal DAMPs to be crucial factors in the setting of MSC biology within the tumor microenvironment. The tumor microenvironment is characterized by reducing and hypoxic conditions that protect DAMPs from oxidation. Based on our results, oxidizing conditions should be considered for therapeutic approaches that target the tumor microenvironment.
SASPase regulates stratum corneum hydration through profilaggrin‐to‐filaggrin processing
Authors: Matsui Takeshi , Miyamoto Kenichi , Kubo Akiharu , Kawasaki Hiroshi , Ebihara Tamotsu , Hata Kazuya , Tanahashi Shinya , Ichinose Shizuko , Imoto Issei , Inazawa Johji , Kudoh Jun , Amagai Masayuki 
Published: May 2011

AbstractThe stratum corneum (SC), the outermost layer of the epidermis, acts as a barrier against the external environment. It is hydrated by endogenous humectants to avoid desiccation. However, the molecular mechanisms of SC hydration remain unclear. We report that skin‐specific retroviral‐like aspartic protease (SASPase) deficiency in hairless mice resulted in dry skin and a thicker and less hydrated SC with an accumulation of aberrantly processed profilaggrin, a marked decrease of filaggrin, but no alteration in free amino acid composition, compared with control hairless mice. We demonstrated that recombinant SASPase directly cleaved a linker peptide of recombinant profilaggrin. Furthermore, missense mutations were detected in 5 of 196 atopic dermatitis (AD) patients and 2 of 28 normal individuals. Among these, the V243A mutation induced complete absence of protease activity in vitro, while the V187I mutation induced a marked decrease in its activity. These findings indicate that SASPase activity is indispensable for processing profilaggrin and maintaining the texture and hydration of the SC. This provides a novel approach for elucidating the complex pathophysiology of atopic dry skin.
Crystallographic and NMR studies on species intermediate between haloalkoxyphosphoranes and alkoxyphosphonium halides
Authors: Yamamoto Yohsuke , Nakao Kumiko , Hashimoto Takeshi , Matsukawa Shiro , Suzukawa Naoyuki , Kojima Satoshi , Akiba Kin‐ya 
Published: May 2011

AbstractA series of the monocyclic organophosphorus compounds ([o‐OC(CH3)2C6H4]PPh(CH2 Ph)X) bearing a halogen (X = F, Cl, and Br) or a tetrafluoroborate (X = BF4) were synthesized. The solid‐state structures of the bromide, the tetrafluoroborate, and an analogous fluoride ([o‐OC(CF3)2C6H4]PPh(CH2 Ph)F) were determined by single crystal X‐ray crystallography. The geometry of the fluoride was almost an ideal trigonal bipyramid (TBP). On the other hand, the bromide and tetrafluoroborate were essentially phosphonium salts with phosphorane character to some extent for the former. In CD3 CN, the bromide, the chloride, and the tetrafluoroborate were found to exist as phosphonium salts. However, it was suggested that in CDCl3, the bromide and the chloride have structures rapidly equilibrating or averaged between the phosphorane and the phosphonium forms. © 2011 Wiley Periodicals, Inc. Heteroatom Chem 22:523–530, 2011; View this article online at wileyonlinelibrary.com. DOI 10.1002/hc.20717
Acetyl‐L‐carnitine‐mediated neuroprotection during hypoxia is attributed to ERK1/2‐Nrf2‐regulated mitochondrial biosynthesis
Authors: Hota Kalpana Barhwal , Hota Sunil Kumar , Chaurasia Om Prakash , Singh Shashi Bala 
Published: May 2011

AbstractNeuronal damage in hypoxia and several neurodegenerative disorders is invariably associated with oxidative damage and mitochondrial dysfunction. Administration of acetyl‐L‐carnitine (ALCAR) on the other hand attenuates neuronal damage, prevents apoptosis, and improves energy status in hypoxic stress through less understood mechanisms. Becasue mitochondrial biogenesis could be a possible mechanism for ALCAR‐induced improvement in bioenergetics in neurons, the present study aimed at exploring signaling pathways of ALCAR‐induced neuroprotection in hypoxia and possible occurrence of mitochondrial biogenesis. To create global hypoxia, adult Sprague–Dawley rats were exposed to a simulated altitude of 7,620 m at standard temperature and humidity conditions. We here demonstrate that administration of ALCAR to hypoxic rats for a period of 2 weeks effectively protected hippocampal neurons from mitochondrial dysfunction, excitotoxicity, and neurodegeneration. ALCAR administration resulted in peroxisome proliferator‐activated receptor γ coactivator‐1α and nuclear respiratory factor‐1‐induced mitochondrial biogenesis, the expression of which was regulated by an extracellular‐related kinase‐nuclear factor erythroid 2‐related factor 2 (ERK‐Nrf2)‐mediated mechanism. Most notably, calcium buffering into nonfunctional mitochondria ameliorated excitotoxicity and improved bioenergetic status of the hippocampal neurons. Together, the data reveal the immense therapeutic potential of ALCAR for the treatment of ischemia, stroke, and other neurodegenerative disorders associated with hypoxic stress and excitotoxicity. © 2011 Wiley Periodicals, Inc.
Inactivation of ventral midline thalamus produces selective spatial delayed conditional discrimination impairment in the rat
Authors: Hembrook Jacqueline R. , Onos Kristen D. , Mair Robert G. 
Published: May 2011

AbstractThe reuniens (Re) and rhomboid (Rh) nuclei are organized to influence activity in distributed limbic networks involving hippocampus and medial prefrontal cortex (mPFC). To elucidate the role of these nuclei in spatial memory we inactivated Re and Rh in rats with the GABAA agonist muscimol and compared effects on two spatial delayed conditional discriminations: delayed nonmatching to position (DNMTP) and varying choice radial maze delayed nonmatching (VC‐DNM). DNMTP is trained in operant chambers and requires rats to choose between the same two levers on all trials. VC‐DNM is trained in automated radial mazes and requires rats to choose between two arms, randomly selected from eight alternatives on each trial. DNMTP is affected by hippocampal and mPFC lesions while VC‐DNM is affected by hippocampal, but not mPFC lesions (Porter et al. (2000) Behav Brain Res 109:69–81). We found evidence of a localized (low dose) effect of ReRh inactivation on DNMTP but not VC‐DNM. This was confirmed by comparison with muscimol injections in an anatomical control site. These results are consistent with evidence that Re and Rh affect measures of spatial working memory that depend on interactions between hippocampus and mPFC, but not measures that depend on hippocampus alone. © 2011 Wiley Periodicals, Inc.
Alcohol effects on simulated driving in frequent and infrequent binge drinkers
Authors: Bernosky‐Smith Kimberly A. , Shannon Erin E. , Roth Alicia J. , Liguori Anthony 
Published: May 2011

ObjectiveCompared with non‐bingers, binge drinkers are more likely to drive while intoxicated. The extent to which binge frequency impacts confidence in driving and subsequent driving impairment is unknown. This study compared the effects of an experimenter‐delivered alcohol binge on subjective impairment and simulated driving ability in female high‐frequency and low‐frequency bingers.MethodsFemale drinkers were assigned to high‐frequency (n = 30) or low‐frequency (n = 30) binge groups based on their Alcohol Use Questionnaire responses. At 30‐min intervals within a 2‐h period, participants received either a placebo drink (n = 15 per group) or a 0.2 g/kg dose of alcohol (n = 15 per group; cumulative dose 0.8 g/kg). Self‐reported impairment, driving confidence, and simulated driving were then measured.ResultsSelf‐reported confidence in driving was significantly lower after alcohol than after placebo in low‐frequency but not high‐frequency bingers. Self‐reported impairment and collisions during simulated driving were significantly greater after alcohol than after placebo in both low‐frequency and high‐frequency bingers.ConclusionsThe impairing effects of a single alcohol binge on driving ability in women are not influenced by binge frequency. However, high binge frequency may be associated with a less cautious approach to post‐binge driving. Copyright © 2011 John Wiley & Sons, Ltd.
Observations of cardiac beating behaviors of wild‐type and mutant Drosophilae with optical coherence tomography
Authors: Tsai Meng‐Tsan , Chang Feng‐Yu , Lee Cheng‐Kuang , Chi Ting‐Ta , Yang Kai‐Min , Lin Lian‐Yu , Wu June‐Tai , Yang C. C. 
Published: May 2011

AbstractTime‐resolved optical coherence tomography (OCT) scanning images of wild‐type and mutant fruit flies (Drosophila melanogaster), illustrating the heartbeat patterns for evaluating their cardiac functions, are demonstrated. Based on the heartbeat patterns, the beat rate and the relative phase between the first two heart segments can be evaluated. The OCT scanning results of mutant flies with impaired proteasome function in cardiac muscles show irregular heartbeat patterns and systematically decreased average beat rates, when compared with the regular patterns of ∼4.97 beats/s in average beat rate of the wild‐type. In both wild‐type and proteasome mutant flies, the beatings at different locations in the same heart segment are essentially synchronized. However, between different heart segments, although the beating in the second segment shows a lag in phase behind that of the first segment in a wild‐type, in a proteasome mutant, the beating in the second segment becomes significantly leading that of the first segment. Besides the comparison between the wild‐type and proteasomal mutant flies, the influences of using different methods for immobilizing flies during OCT scanning on the heart functions are demonstrated. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Comparing and combining implicit ligand sampling with multiple steered molecular dynamics to study ligand migration processes in heme proteins
Authors: Forti Flavio , Boechi Leonardo , Estrin Dario A. , Marti Marcelo A. 
Published: May 2011

AbstractThe ubiquitous heme proteins perform a wide variety of tasks that rely on the subtle regulation of their affinity for small ligands like O2, CO, and NO. Ligand affinity is characterized by kinetic association and dissociation rate constants, that partially depend on ligand migration between the solvent and active site, mediated by the presence of internal cavities or tunnels. Different computational methods have been developed to study these processes which can be roughly divided in two strategies: those costly methods in which the ligand is treated explicitly during the simulations, and the free energy landscape of the process is computed; and those faster methods that use prior computed Molecular Dynamics simulation without the ligand, and incorporate it afterwards, called implicit ligand sampling (ILS) methods. To compare both approaches performance and to provide a combined protocol to study ligand migration in heme proteins, we performed ILS and multiple steered molecular dynamics (MSMD) free energy calculations of the ligand migration process in three representative and well theoretically and experimentally studied cases that cover a wide range of complex situations presenting a challenging benchmark for the aim of the present work. Our results show that ILS provides a good description of the tunnel topology and a reasonable approximation to the free energy landscape, while MSMD provides more accurate and detailed free energy profile description of each tunnel. Based on these results, a combined strategy is presented for the study of internal ligand migration in heme proteins. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011
Efficiency of tabu‐search‐based conformational search algorithms
Authors: Grebner Christoph , Becker Johannes , Stepanenko Svetlana , Engels Bernd 
Published: May 2011

AbstractEfficient conformational search or sampling approaches play an integral role in molecular modeling, leading to a strong demand for even faster and more reliable conformer search algorithms. This article compares the efficiency of a molecular dynamics method, a simulated annealing method, and the basin hopping (BH) approach (which are widely used in this field) with a previously suggested tabu‐search‐based approach called gradient only tabu search (GOTS). The study emphasizes the success of the GOTS procedure and, more importantly, shows that an approach which combines BH and GOTS outperforms the single methods in efficiency and speed. We also show that ring structures built by a hydrogen bond are useful as starting points for conformational search investigations of peptides and organic ligands with biological activities, especially in structures that contain multiple rings. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011
Implementation and evaluation of a docking‐rescoring method using molecular footprint comparisons
Authors: Balius Trent E. , Mukherjee Sudipto , Rizzo Robert C. 
Published: May 2011

AbstractA docking‐rescoring method, based on per‐residue van der Waals (VDW), electrostatic (ES), or hydrogen bond (HB) energies has been developed to aid discovery of ligands that have interaction signatures with a target (footprints) similar to that of a reference. Biologically useful references could include known drugs, inhibitors, substrates, transition states, or side‐chains that mediate protein‐protein interactions. Termed footprint similarity (FPS) score, the method, as implemented in the program DOCK, was validated and characterized using: (1) pose identification, (2) crossdocking, (3) enrichment, and (4) virtual screening. Improvements in pose identification (6–12%) were obtained using footprint‐based (FPSVDW+ES) vs. standard DOCK (DCEVDW+ES) scoring as evaluated on three large datasets (680–775 systems) from the SB2010 database. Enhanced pose identification was also observed using FPS (45.4% or 70.9%) compared with DCE (17.8%) methods to rank challenging crossdocking ensembles from carbonic anhydrase. Enrichment tests, for three representative systems, revealed FPSVDW+ES scoring yields significant early fold enrichment in the top 10% of ranked databases. For EGFR, top FPS poses are nicely accommodated in the molecular envelope defined by the reference in comparison with DCE, which yields distinct molecular weight bias toward larger molecules. Results from a representative virtual screen of ca. 1 million compounds additionally illustrate how ligands with footprints similar to a known inhibitor can readily be identified from within large commercially available databases. By providing an alternative way to rank ligand poses in a simple yet directed manner we anticipate that FPS scoring will be a useful tool for docking and structure‐based design. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011