bluuebunny/crossref_metadata_2025_split huggingface dataset:
Palladium‐Catalyzed Synthesis of Aromatic Ketones and Isoindolobenzimidazoles via Selective Aromatic CH Bond Acylation
Authors: Lu Juyou , Zhang Hao , Chen Xiaowu , Liu Hongxia , Jiang Yuyang , Fu Hua 
Published: January 2013

AbstractA convenient and efficient palladium‐catalyzed synthesis of aromatic ketones and isoindolobenzimidazoles has been developed via selective aromatic CH bond acylation. The protocol uses palladium acetate as the catalyst, readily available carboxylic acids as the acylating reagents, trifluoroacetic anhydride as the activated agent of the acids, and the corresponding aromatic ketones and isoindolobenzimidazoles were obtained in good to excellent yields. This finding should provide a new and useful strategy for synthesis of aromatic ketones and isoindolobenzimidazoles.
Experimental study of direct contact steam condensation in structured packing
Authors: Li Xingang , Liu Shaoqing , Cui Xiaoti , Li Hong 
Published: January 2013

ABSTRACTAn experimental study of direct contact steam condensation has been conducted at both atmospheric and vacuum pressure, in a pilot scale column filled with Tupac 125Y structured packing. The local volumetric heat transfer coefficient of condensation determined by thermal balance has been given. The influences of the vapor and liquid flow rate, liquid temperature and operation pressure have been investigated. An empirical correlation based on dimensionless numbers has been put forward and verified by various experimental measurements, and the dimensionless numbers were calculated from the Delft hydrodynamic model of structured packing. The results will give some helpful guidance in the design and operation of direct contact condensers with structured packings. © 2013 Curtin University of Technology and John Wiley & Sons, Ltd.
Natural Compounds against Alzheimer’s Disease: Molecular Recognition of Aβ1–42 Peptide by Salvia sclareoides Extract and its Major Component, Rosmarinic Acid, as Investigated by NMR
Authors: Airoldi Cristina , Sironi Erika , Dias Catarina , Marcelo Filipa , Martins Alice , Rauter Amélia Pilar , Nicotra Francesco , Jimenez‐Barbero Jesus 
Published: January 2013

AbstractAmyloid peptides, Aβ1–40 and Aβ1–42, represent major molecular targets to develop potential drugs and diagnostic tools for Alzheimer’s Disease (AD). In fact, oligomeric and fibrillar aggregates generated by these peptides are amongst the principal components of amyloid plaques found post mortem in patients suffering from AD. Rosmarinic acid has been demonstrated to be effective in preventing the aggregation of amyloid peptides in vitro and to delay the progression of the disease in animal models. Nevertheless, no information is available about its molecular mechanism of action. Herein, we report the NMR characterization of the interaction of Salvia sclareoides extract and that of its major component, rosmarinic acid, with Aβ1–42 peptide, whose oligomers have been described as the most toxic Aβ species in vivo. Our data shed light on the structural determinants of rosmarinic acid–Aβ1–42 oligomers interaction, thus allowing the elucidation of its mechanism of action. They also provide important information for the rational design of new compounds with higher affinity for Aβ peptides to generate new anti‐amyloidogenic molecules and/or molecular tools for the specific targeting of amyloid aggregates in vivo. In addition, we identified methyl caffeate, another natural compound present in different plants and human diet, as a good ligand of Aβ1–42 oligomers, which also shows anti‐amyloidogenic activity. Finally, we demonstrated the possibility to exploit STD‐NMR and trNOESY experiments to screen extracts from natural sources for the presence of Aβ peptide ligands.
Ozonated Multiwalled Carbon Nanotubes as Highly Active and Selective Catalyst in the Oxidative Dehydrogenation of Ethyl Benzene to Styrene
Authors: Qui N. V. , Scholz P. , Keller T. F. , Pollok K. , Ondruschka B. 
Published: January 2013

AbstractPurification and ozonation protocols for the functionalization of multiwalled carbon nanotubes (MWCNT) were developed to modify the surface with respect to increasing the catalytic activity of the samples in the oxidative dehydrogenation of ethyl benzene (ODEB) to styrene. The modification processes drastically enhance the Brunauer‐Emmett‐Teller surface area and the number of oxygen‐containing groups on the surface of the nanotubes. The modified MWCNT exhibit significantly improved conversion and styrene selectivity in the ODEB reaction. For instance, ozonation led to MWCNT‐based catalysts revealing conversion and selectivity values of 80 % and 92 %, respectively. An increase in surface oxygen accompanied by high catalytic activity observed on the catalysts suggests that oxygen‐containing groups are the dominant active sites for the reaction.
Synthetic Strategies for the Biotinylation of Bioactive Small Molecules
Authors: Trippier Paul C. 
Published: January 2013

AbstractBiotinylation, the functional appendage of a biotin moiety to a bioactive compound (including small molecules and biological macromolecules), represents a common technique for identification of the intracellular binding partners that underlie the foundation of observed biological activity. Introduction of an attachment tether to the framework of a compound of interest must be planned at an early stage of development, and many considerations apply: 1) region of attachment, so as not to impede the pharmacophore; 2) stability of the parent molecular architecture to biotinylation conditions; 3) regioselectivity for the chosen tethering location over other reactive functionalities; 4) toxicity of reagents if biotinylation is to be performed in vitro; and 5) overall ease of synthesis. This review is intended to serve as a guide for the selection of appropriate tethering modalities. Examples of the common techniques used to affix biotin, including amide bond formation, [3+2] cycloadditions through “click” chemistry, Staudinger ligation, and thioether formation will be discussed, along with analysis of the wider applications of synthetic methodology that have been applied toward the biotinylation of small molecules.
A Chemogenomic Analysis of Ionization Constants—Implications for Drug Discovery
Authors: Manallack David T. , Prankerd Richard J. , Nassta Gemma C. , Ursu Oleg , Oprea Tudor I. , Chalmers David K. 
Published: January 2013

AbstractChemogenomics methods seek to characterize the interaction between drugs and biological systems and are an important guide for the selection of screening compounds. The acid/base character of drugs has a profound influence on their affinity for the receptor, on their absorption, distribution, metabolism, excretion and toxicity (ADMET) profile and the way the drug can be formulated. In particular, the charge state of a molecule greatly influences its lipophilicity and biopharmaceutical characteristics. This study investigates the acid/base profile of human small‐molecule drugs, chemogenomics datasets and screening compounds including a natural products set. We estimate the acid‐ionization constant (pKa) values of these compounds and determine the identity of the ionizable functional groups in each set. We find substantial differences in acid/base profiles of the chemogenomic classes. In many cases, these differences can be linked to the nature of the target binding site and the corresponding functional groups needed for recognition of the ligand. Clear differences are also observed between the acid/base characteristics of drugs and screening compounds. For example, the proportion of drugs containing a carboxylic acid was 20 %, in stark contrast to a value of 2.4 % for the screening set sample. The proportion of aliphatic amines was 27 % for drugs and only 3.4 % for screening compounds. This suggests that there is a mismatch between commercially available screening compounds and the compounds that are likely to interact with a given chemogenomic target family. Our analysis provides a guide for the selection of screening compounds to better target specific chemogenomic families with regard to the overall balance of acids, bases and pKa distributions.
A Reversible Redox Strategy for SWCNT‐Based Supercapacitors Using a High‐Performance Electrolyte
Authors: Yu Haijun , Wu Jihuai , Lin Jianming , Fan Leqing , Huang Miaoliang , Lin Youzhen , Li Yan , Yu Fuda , Qiu Zhaoyuan 
Published: January 2013

AbstractIn order to achieve pesudocapacitive performance of single‐wall carbon nanotube (SWCNT) electrodes, a high‐efficient and reversible redox strategy utilizing a redox‐mediated electrolyte for SWCNT‐based supercapacitors is reported. In this novel redox‐mediated electrolyte, the single‐electrode specific capacitance of the supercapacitor is heightened four times, reaching C=162.66 F g−1 at 1 A g−1. The quick charge‐discharge ability of the supercapacitor is also enhanced, and the relaxation time is as low as 0.58 s. Furthermore, the supercapacitor shows an excellent cycling performance of 96.51 % retention after 4000 cycles. The remarkable results presented here illustrate that the redox strategy is a facile and straightforward approach to improve the performances of SWCNT electrodes.
TiN Nanoparticles on CNT–Graphene Hybrid Support as Noble‐Metal‐Free Counter Electrode for Quantum‐Dot‐Sensitized Solar Cells
Authors: Youn Duck Hyun , Seol Minsu , Kim Jae Young , Jang Ji‐Wook , Choi Youngwoo , Yong Kijung , Lee Jae Sung 
Published: January 2013

AbstractThe development of an efficient noble‐metal‐free counter electrode is crucial for possible applications of quantum‐dot‐sensitized solar cells (QDSSCs). Herein, we present TiN nanoparticles on a carbon nanotube (CNT)–graphene hybrid support as a noble‐metal‐free counter electrode for QDSSCs employing a polysulfide electrolyte. The resulting TiN/CNT–graphene possesses an extremely high surface roughness, a good metal–support interaction, and less aggregation relative to unsupported TiN; it also has superior solar power conversion efficiency (4.13 %) when applying a metal mask, which is much higher than that of the state‐of‐the‐art Au electrode (3.35 %). Based on electrochemical impedance spectroscopy measurements, the enhancement is ascribed to a synergistic effect between TiN nanoparticles and the CNT–graphene hybrid, the roles of which are to provide active sites for the reduction of polysulfide ions and electron pathways to TiN nanoparticles, respectively. The combination of graphene and CNTs leads to a favorable morphology that prevents stacking of graphene or bundling of CNTs, which maximizes the contact of the support with TiN nanoparticles and improves electron‐transfer capability relative to either carbon material alone.
On Electrical Probes Used in Magnetized Plasma Diagnostics
Authors: Mihaila I. , Solomon M.L. , Costin C. , Popa G. 
Published: January 2013

AbstractIn some experimental conditions the electron saturation current of a cylindrical probe placed in a magnetized plasma and oriented along the magnetic field lines shows a large increase when the probe is positively biased with respect to plasma potential. The increase might double the electron saturation current which is followed by a negative slope of the current‐voltage characteristic when the positive bias of the probe is further increased. This particular behavior was investigated versus probe length (0 – 5 mm) and radius, probe orientation with respect to the magnetic field lines, magnetic field strength (up to 0. 42 T), gas nature and pressure, respectively. The increase of both electron current intensity and negative slope are well pronounced starting with a certain length of the probe and strongly dependent on probe orientation along the magnetic field lines. These particularities are also more pronounced with increasing of both magnetic field strength and mass of the gas atoms. Strong oscillations of the probe current are present in the negative slope region of the probe characteristic.Moreover, the light intensity emitted by plasma volume, where the probe is located, is also dependent on the probe bias. It shows a clear sharp maximum around plasma potential. A qualitative explanation of the probe characteristics with a negative slope obtained with the cylindrical probe is proposed (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Long‐term reversal of diabetes in non‐obese diabetic mice by liver‐directed gene therapy
Authors: Ren Binhai , O'Brien Bronwyn A. , Byrne Michelle R. , Ch'ng Edwin , Gatt Prudence N. , Swan M. Anne , Nassif Najah T. , Wei Ming Q. , Gijsbers Rik , Debyser Zeger , Simpson Ann M. 
Published: January 2013

AbstractBackgroundType 1 diabetes (T1D) results from an autoimmune attack against the insulin‐producing β‐cells of the pancreas. The present study aimed to reverse T1D by gene therapy.MethodsWe used a novel surgical technique, which involves isolating the liver from the circulation before the delivery of a lentiviral vector carrying furin‐cleavable human insulin (INS‐FUR) or empty vector to the livers of diabetic non‐obese diabetic mice (NOD). This was compared with the direct injection of the vector into the portal circulation. Mice were monitored for body weight and blood glucose. Intravenous glucose tolerance tests were performed. Expression of insulin and pancreatic transcription factors was determined by the reverse transcriptase‐polymerase chain reaction and immunohistochemistry and immunoelectron microscopy was used to localise insulin.ResultsUsing the novel surgical technique, we achieved long‐term transduction (42% efficiency) of hepatocytes, restored normoglycaemia for 150 days (experimental endpoint) and re‐established normal glucose tolerance. We showed the expression of β‐cell transcription factors, murine insulin, glucagon and somatostatin, and hepatic storage of insulin in granules. The expression of hepatic markers, C/EBP‐β, G6PC, AAT and GLUI was down‐regulated in INS‐FUR‐treated livers. Liver function tests remained normal, with no evidence of intrahepatic inflammation or autoimmune destruction of the insulin‐secreting liver tissue. By comparison, direct injection of INS‐FUR reduced blood glucose levels, and no pancreatic transdifferentiation or normal glucose tolerance was observed.ConclusionsThis gene therapy protocol has, for the first time, permanently reversed T1D with normal glucose tolerance in NOD mice and, as such, represents a novel therapeutic strategy for the treatment of T1D. Copyright © 2013 John Wiley & Sons, Ltd.
Angry Voices from the Past and Present: Effects on Adults' and Children's Earwitness Memory
Authors: Öhman Lisa , Eriksson Anders , Granhag Pär Anders 
Published: January 2013

AbstractThe major aim was to examine the effect of the perpetrator's tone of voice and time delay on voice recognition. In addition, the effect of two types of voice description interviews intended to strengthen voice encoding was tested. Both 11‐ to 13‐year‐olds (n = 160) and adults (n = 148) heard an unfamiliar voice for 40 s. The perpetrator either spoke in a normal tone at encoding and in the lineup (congruent), or in an angry tone at encoding and a normal tone in the lineup (incongruent). Witnesses were then interviewed about the voice with global questions or by rating voice characteristics. Half of the witnesses were presented with a lineup shortly after the interview (immediate) and the others after 2 weeks (delayed). Children tested immediately made significantly more correct identifications. This was not the case for adults. (In)congruency between tone of voice and interview type did not significantly affect voice recognition. Witnesses in the congruent–immediate condition performed the best. However, only 25% of the children and 19% of the adults made correct identifications. Poor identification accuracy and the fact that the majority of witnesses believed they would recognise the voice later are reasons for treating voice identification evidence with great caution. Copyright © 2013 John Wiley & Sons, Ltd.
Screening of methylenedioxyamphetamine‐ and piperazine‐derived designer drugs in urine by LC–MS/MS using neutral loss and precursor ion scan
Authors: Montesano Camilla , Sergi Manuel , Moro Mariaelena , Napoletano Sabino , Romolo Francesco Saverio , Carlo Michele Del , Compagnone Dario , Curini Roberta 
Published: January 2013

This study describes a method for the screening of methylenedioxyamphetamine‐ and piperazine‐derived compounds in urine by liquid chromatography‐tandem mass spectrometry. These substances, characterized by possessing common moieties, are screened using precursor ion and neutral loss scan mode and then quantified in multiple reaction monitoring acquisition mode. Based on the product‐ion spectra of different known molecules, chosen as ‘model’, characteristic neutral losses and product ions were selected: piperazines were detected in precursor ion scan of m/z 44 and neutral loss of 43 and 86 while amphetamines in precursor ion scan of m/z 133, 135 and 163. The applicability of the screening approach was studied in blank urine spiked with selected analytes and processed by solid‐phase extraction. Linearity, matrix effect, precision, accuracy, limits of detection and limits of quantification were evaluated both for the screening and the quantification methods. The ability of the screening method to provide semi‐quantitative data was demonstrated.This method appears to be a useful tool for the identification of designer drugs derived from piperazines or methylenedioxyamphetamines and can be potentially applied to other drug classes. Copyright © 2013 John Wiley & Sons, Ltd.
Viable biobanking of primary head and neck squamous cell carcinoma
Authors: Godoy Jose M. , Sewell Andrew , Johnston Benjamin , Brown Brandee T. , Lu Xinyuan , Sinard Robert J. , Rohde Sarah , Mannion Kyle , Netterville James L. , Yarbrough Wendell G. 
Published: January 2013

AbstractObjectives/Hypothesis:To determine the feasibility of viable storage of head and neck squamous cell carcinoma (HNSCC) for regrowth of cells in culture.Study Design:Laboratory‐based translational study.Methods:Methods for intermediate‐term frozen storage of viable HNSCC were explored using small pieces of primary tumor and dissociated HNSCC cells after short‐term culture. Viable cells after freezing were confirmed by adherence to tissue culture plates, cell morphology, and increased cell or colony density. Two cultures were immunostained for cytokeratin to confirm epithelial origin of viable cultured cells after freezing.Results:Six primary HNSCCs (two oral cavity, three larynx, one oropharynx) and two HNSCCs that had been passaged through a xenograft (two oral cavity) were dissociated to single cells and grown in short‐term cell culture for 0 to 12 passages. After short‐term culture, cells were frozen for up to 8 months, thawed, and replated. Frozen cells derived from all tumors (six primary and two xenografts) were successfully replated with cultures lasting >7 days with seven of eight tumors presenting increased colony or cell density over 1 week of growth after freezing. In total, 15 of 15 tested samples derived from six primary and two xenografted HNSCCs were viable after freezing.Conclusions:In the current study, we show that biopreservation of primary or xenografted HNSCC using short‐term cell culture is feasible. Initial short‐term cell culture was required for successful storage and viability of frozen cells. These proof‐of‐principle studies, if more widely implemented, could improve preclinical testing of new therapies for HNSCC. Laryngoscope, 2013
Industrial Upscaling of Electrospinning and Applications of Polymer Nanofibers: A Review
Authors: Persano Luana , Camposeo Andrea , Tekmen Cagri , Pisignano Dario 
Published: January 2013

AbstractElectrospun nanofibers are extensively studied and their potential applications are largely demonstrated. Today, electrospinning equipment and technological solutions, and electrospun materials are rapidly moving to commercialization. Dedicated companies supply laboratory and industrial‐scale components and apparatus for electrospinning, and others commercialize electrospun products. This paper focuses on relevant technological approaches developed by research, which show perspectives for scaling‐up and for fulfilling requirements of industrial production in terms of throughput, accuracy, and functionality of the realized nanofibers. A critical analysis is provided about technological weakness and strength points in combination with expected challenges from the market. magnified image
Yoga for Functional Ability, Pain and Psychosocial Outcomes in Musculoskeletal Conditions: A Systematic Review and Meta‐Analysis
Authors: Ward Lesley , Stebbings Simon , Cherkin Daniel , Baxter G David 
Published: January 2013

AbstractObjectivesMusculoskeletal conditions (MSCs) are the leading cause of disability and chronic pain in the developed world, impacting both functional ability and psychosocial health. The current review investigates the effectiveness of yoga on primary outcomes of functional ability, pain and psychosocial outcomes across a range of MSCs.MethodsA comprehensive search of 20 databases was conducted for full‐text, randomized controlled trials of yoga in clinically diagnosed MSCs.ResultSeventeen studies met the inclusion criteria, involving 1,626 participants with low back pain (LBP), osteoarthritis (OA), rheumatoid arthritis (RA), kyphosis or fibromyalgia. Studies were quality rated, and analysed for the effect of yoga on primary outcomes, immediately post‐intervention. Twelve studies were rated as good quality. Yoga interventions resulted in a clinically significant improvement in functional outcomes in mild‐to‐moderate LBP and fibromyalgia, and showed a trend to improvement in kyphosis. Yoga significantly improved pain in OA, RA and mild‐to‐severe LBP. Psychosocial outcomes were significantly improved in mild‐to‐moderate LBP and OA. Meta‐analysis of good‐quality studies showed a moderate treatment effect for yoga of −0.64 (95%CI −0.89 to −0.39) for functional outcomes and −0.61 (95%CI −0.97 to −0.26) for pain outcomes.ConclusionsEvidence suggests that yoga is an acceptable and safe intervention, which may result in clinically relevant improvements in pain and functional outcomes associated with a range of MSCs. Future analysis of outcomes which take into account the amount of yoga received by participants may provide insight into any putative duration or dosage effects of yoga interventions for MSCs. Copyright © 2013 John Wiley & Sons, Ltd.
Fluorinated Boron‐Dipyrromethene (BODIPY) Dyes: Bright and Versatile Probes for Surface Analysis
Authors: Hecht Mandy , Fischer Tobias , Dietrich Paul , Kraus Werner , Descalzo Ana B. , Unger Wolfgang E. S. , Rurack Knut 
Published: January 2013

AbstractA family of bright boron‐dipyrromethene‐type fluorophores with a high number of fluorine atoms (F‐BODIPYs) has been developed and characterized by X‐ray crystallography and optical spectroscopy. The introduction of 3,5‐bis(trifluoromethyl)phenyl and pentafluorophenyl moieties significantly enhances the photostability of such dyes, yielding for instance photostable near‐infrared (NIR) fluorophores that show emission maxima>750 nm, when the BODIPY’s π system is extended with two (dimethylamino)styryl and (dimethylamino)naphthastyryl moieties, or green‐emitting BODIPYs with fluorescence quantum yields of unity. When equipped with a suitable group that selectively reacts for instance with amines, F‐BODIPYs can be used as potent dual labels for the quantification of primary amino groups on surfaces by X‐ray photoelectron spectroscopy (XPS) and fluorescence, two powerful yet complementary tools for the analysis of organic surface functional groups. The advantage of reactive F‐BODIPYs is that they allow a fast and non‐destructive mapping of the labelled supports with conventional fluorescence scanners and a subsequent quantification of selected areas of the same sample by the potentially traceable XPS technique. The performance is exemplarily shown here for the assessment of the amino group density on SiO2 supports, one of the most common reactive silica supports, in particular, for standard microarray applications.