bluuebunny/crossref_metadata_2025_split huggingface dataset:
Practical guide to the Idea, Development and Exploration stages of the IDEAL Framework and Recommendations
Authors: Pennell C P , Hirst A D , Campbell W B , Sood A , Agha R A , Barkun J S T , McCulloch P 
Published: February 2016

Abstract

Background
Evaluation of new surgical procedures is a complex process challenged by evolution of technique, operator learning curves, the possibility of variable procedural quality, and strong treatment preferences among patients and clinicians. Preliminary studies that address these issues are needed to prepare for a successful randomized trial. The IDEAL (Idea, Development, Exploration, Assessment and Long-term follow-up) Framework and Recommendations provide an integrated step-by-step evaluation pathway that can help investigators achieve this.

Methods
A practical guide was developed for investigators evaluating new surgical interventions in the earlier phases before a randomized trial (corresponding to stages 1, 2a and 2b of the IDEAL Framework). The examples and practical tips included were chosen and agreed upon by consensus among authors with experience either in designing and conducting IDEAL format studies, or in helping others to design such studies. They address the most common challenges encountered by authors attempting to follow the IDEAL Recommendations.

Results
A decision aid has been created to help identify the IDEAL stage of an innovation from literature reports, with advice on how to design and report the IDEAL study formats discussed, along with the ethical and scientific rationale for specific recommendations.

Conclusion
The guide helps readers and researchers to understand and implement the IDEAL Framework and Recommendations to improve the quality of evidence supporting surgical innovation.
Regioselective deprotection of the monosaccharide‐bearing thiocyanomethyl group at the anomeric position monitored by reversed‐phase HPLC method
Authors: Abualassal Qais , Al Azzam Khaldun M. , Jilani Jamal A. 
Published: February 2016

AbstractIn the current work, the investigation and development of a chemo‐enzymatic approach for the synthesis of neo‐glycoproteins have been studied. This strategy is based on the regioselective enzymatic hydrolysis of peracetylated monosaccharide, functionalized at the anomeric position (C1) as 1‐thio‐(S‐cyanomethyl) group, a precursor of the 2‐ iminomethoxyethyl thioglycosides‐linker for protein glycosylation, catalyzed by immobilized enzymes to obtain selectively monodeprotected compounds. The use of this activation in C1 is the most frequently used strategy for glycoprotein preparation. The selected biocatalysts are the lipase from Candida rugosa and the acetyl xylan esterase from Bacillus pumilus. A reversed‐phase high‐performance liquid‐chromatographic (HPLC) method for monitoring the regioselective deprotection reaction has been developed. The developed HPLC method was used as a fingerprint to follow the hydrolysis of substrate 1 to substrate 1a and to determine its purity and yield. Moreover, the obtained compound was further purified by flash chromatography. The obtained compound 1a was further characterized using 1H, 13C NMR, correlation spectroscopy (COSY) and heteronuclear multiple bond correlation. The resulting product can be used as an intermediate for the preparation of di‐ and more complex oligosaccharides aimed at protein conjugation. Copyright © 2016 John Wiley & Sons, Ltd.
Determination and validation of chikusetsusaponin IVa in rat plasma by UPLC‐MS/MS and its application to pharmacokinetic study
Authors: Wang Ying , Liu Shi‐Ping , Guo Mei‐Hua , Wang Zhuo 
Published: February 2016

AbstractA novel, sensitive and rapid ultra‐performance liquid chromatography–tandem mass spectrometric method for the quantification of chikusetsusaponin IVa (CHS‐IVa) in rat plasma was established and validated. Plasma samples were pre‐treated by precipitation of protein with acetonitrile and chromatographed on a Waters Symmetry C18 analytical column (4.6 × 50 mm, i.d., 3.5 μm) using a mobile phase consisting of methanol and water containing 0.05% formic acid (55:45, v/v) at a flow rate of 0.4 mL/min. The deprotonated molecular ions [M − H]– were employed in electrospray negative ionization mode and selected reaction monitoring transitions were performed for detection. The calibration curves exhibited good linearity (r > 0.99) over the range of 0.5–1000 ng/mL for CHS‐IVa. The recoveries of CHS‐IVa were >92.5% and exhibited no severe matrix effect. This method was successfully applied in the pharmacokinetic study of CHS‐IVa in rats. For oral administration, the plasma concentrations of CHS‐IVa increased to a peak value at 0.35 ± 0.14 h, followed by a gradual decrease to the lower limit of quantitation in 24 h. For intravenous administration, the plasma concentrations of CHS‐IVa decreased quickly (t1/2, 1.59 ± 0.25 h). The absolute bioavailability of CHS‐IVa in rats was 8.63%. Copyright © 2016 John Wiley & Sons, Ltd.
Correctors Rescue CFTR Mutations in Nucleotide‐Binding Domain 1 (NBD1) by Modulating Proteostasis
Authors: Lopes‐Pacheco Miquéias , Sabirzhanova Inna , Rapino Daniele , Morales Marcelo M. , Guggino William B. , Cebotaru Liudmila 
Published: February 2016

AbstractWe evaluated whether small molecule correctors could rescue four nucleotide‐binding domain 1 (NBD1) mutations in the cystic fibrosis transmembrane conductance regulator (CFTR) gene (A455E, S492F, ΔI507, and R560T). We first transfected Cos‐7 cells (green monkey kidney cells) with A455E, S492F, ΔI507, or R560T and created HEK‐293 (human embryonic kidney cells) cell lines stably expressing these CFTR mutations. The mutants showed lowered protein expression, instability at physiological temperature, and rapid degradation. After treatment with correctors CFFT‐002, CFFT‐003, C3, C4, and/or C18, the combination of C18+C4 showed the most correction and resulted in increased CFTR residing in the plasma membrane. We found a profound decrease in binding of CFTR to histone deacetylases (HDAC) 6 and 7 and heat shock proteins (Hsps) 27 and 40. Silencing Hsp27 or 40 rescued the mutants, but no additional amount of CFTR was rescued when both proteins were knocked down simultaneously. Thus, CFTR mutations in NBD1 can be rescued by a combination of correctors, and the treatment alters the interaction between mutated CFTR and the endoplasmic reticulum machinery.
Biomedical Applications of DNA‐Conjugated Gold Nanoparticles
Authors: Wang Chun‐Chi , Wu Shou‐Mei , Li Hung‐Wen , Chang Huan‐Tsung 
Published: February 2016

AbstractGold nanoparticles (AuNPs) are useful for diagnostic and biomedical applications, mainly because of their ease in preparation and conjugation, biocompatibility, and size‐dependent optical properties. However, bare AuNPs do not possess specificity for targets. AuNPs conjugated with DNA aptamers offer specificity for various analytes, such as proteins and small molecules/ions. Although DNA aptamers themselves have therapeutic and target‐recognizing properties, they are susceptible to degradation in vivo. When DNA aptamers are conjugated to AuNPs, their stability and cell uptake efficiency both increase, making aptamer–AuNPs suitable for biomedical applications. Additionally, drugs can be efficiently conjugated with DNA aptamer–AuNPs to further enhance their therapeutic efficiency. This review focuses on the applications of DNA aptamer‐based AuNPs in several biomedical areas, including anticoagulation, anticancer, antibacterial, and antiviral applications.
Murder and psychosis: Neuropsychological profiles of homicide offenders with schizophrenia
Authors: Stratton John , Brook Michael , Hanlon Robert E. 
Published: February 2016

AbstractBackgroundNeurocognitive dysfunction, a core feature of schizophrenia, is thought to contribute to the impulsive violent aggression manifested by some individuals with schizophrenia, but not enough is known about how homicidal individuals with schizophrenia perform on neuropsychological measures.AimsThe primary aim of our study was to describe the neuropsychological profiles of homicide offenders with schizophrenia. Supplementary analyses compared the criminal, psychiatric and neuropsychological features of schizophrenic homicide offenders with and without God/Satan/demon‐themed psychotic symptoms.MethodsTwenty‐five men and women diagnosed with schizophrenia who had killed another person – 21 convicted of first‐degree murder and 4 found not guilty by reason of insanity – completed neuropsychological testing during forensic evaluations.ResultsThe sample was characterised by extensive neurocognitive impairments, involving executive dysfunction (60%), memory dysfunction (68%) and attentional dysfunction (50%), although those with God/Satan/demon‐themed psychotic symptoms performed better than those with nonreligious psychotic content.ConclusionsOur findings indicate that impaired cognition may play an important role in the commission of homicide by individuals with schizophrenia. A subgroup with God/Satan/demon delusions seem sufficiently less impaired that they might be able to engage in metacognitive treatment approaches, aimed at changing their relationship to their psychotic symptoms, thus reducing the perception of power and omnipotence of hallucinated voices and increasing their safety. Copyright © 2016 John Wiley & Sons, Ltd.
Hydrogenation of Condensed Aromatic Compounds over Mesoporous Bifunctional Catalysts Following a Diels–Alder Adduct Pathway
Authors: Huyen Pham Thanh , Krivec Marko , Kočevar Marijan , Bucur Ioana C. , Rizescu Cristina , Parvulescu Vasile I. 
Published: February 2016

AbstractPt(0.5 wt %)‐Al‐SBA‐15 and Pt(0.5 wt %)‐Al‐MCM‐41 bifunctional catalysts were prepared by wet impregnation and investigated in the hydrogenation of anthracene and the hydrogenolysis/hydrogenation of a series of synthesized Diels–Alder adducts with anthracene and anthracene derivatives. The mesoporous texture of the investigated catalysts allowed the hydrogenation of these substrates to a large extent. In direct correlation with the size of the Pt particles, Pt‐Al‐SBA‐15 exhibited a higher activity. Both catalysts exhibited a strong Lewis acidity associated with the presence of the Al extra‐framework species. The acidity of these catalysts afforded the esterification of the reaction byproduct, that is, succinic anhydride, with methanol or ethanol, and the hydrocracking/decyclization of one hydrogenated ring to lead to 1,2,3,4‐tetrahydronaphthalene derivatives. A good correlation with the calculated values of the reaction Gibbs free energy has been evidenced.
Sustainable Strategy Utilizing Biomass: Visible‐Light‐Mediated Synthesis of γ‐Valerolactone
Authors: Verma Sanny , Baig R. B. Nasir , Nadagouda Mallikarjuna N. , Varma Rajender S. 
Published: February 2016

AbstractA novel sustainable approach to valued γ‐valerolactone was investigated. This approach exploits the visible‐light‐mediated conversion of biomass‐derived levulinic acid by using a bimetallic catalyst on a graphitic carbon nitride, AgPd@g‐C3N4.
Syngas Production via Reverse Water‐Gas Shift Reaction over a Ni‐Al2O3 Catalyst: Catalyst Stability, Reaction Kinetics, and Modeling
Authors: Wolf Andreas , Jess Andreas , Kern Christoph 
Published: February 2016

AbstractThe synthesis of liquid fuels from CO2, e.g., separated from flue gases of power plants, and H2 from renewables, i.e., water electrolysis, is a concept for substituting fossil fuels in the transport sector. It consists of two steps, syngas production via reverse water‐gas shift (RWGS) and synfuel production by Fischer‐Tropsch synthesis. Research is concentrated on the RWGS using a Ni‐catalyst. The catalyst shows an appropriate performance in catalyzing the RWGS. The catalyst is stable at technically relevant temperatures. The intrinsic and effective kinetics were determined and considerations on a technical application of the process are proposed.
Palladium Supported on Carbon Nanotubes for Methane Catalytic Oxidation
Authors: Gao Xiuhui , Wang Sheng , Gao Diannan , Chen Zhiping , Liu Weigang , Wang Mingzhe , Wang Shudong 
Published: February 2016

AbstractA series of palladium/multi‐walled carbon nanotube (Pd/MWCNT) catalysts were prepared for the total oxidation of methane. Their morphologies, thermal stabilities and redox properties were investigated using different analytical techniques. Their textural properties were also measured by the Brunauer‐Emmett‐Teller method. On this basis, the catalytic behaviors were tailored by pretreating with mixed acid solutions and changing the MWCNT diameters. The results show that higher MWCNT diameters improved the Pd dispersion and enhanced the catalytic properties of the Pd/MWCNT. A proper ratio of HNO3 to H2SO4 can provide moderately active sites such as oxygen‐containing groups (OCG) and defects, on which the Pd precursor can be attached or anchored. Excessive H2SO4 will deteriorate the carbon framework and lower the frequency of OCG decorated on the outer surface of the MWCNT. As a result, the activity of the Pd/MWCNT catalysts for methane oxidation is suppressed.
One‐Pot Synthesis of CoSex–rGO Composite Powders by Spray Pyrolysis and Their Application as Anode Material for Sodium‐Ion Batteries
Authors: Park Gi Dae , Kang Yun Chan 
Published: February 2016

AbstractA simple one‐pot synthesis of metal selenide/reduced graphene oxide (rGO) composite powders for application as anode materials in sodium‐ion batteries was developed. The detailed mechanism of formation of the CoSex–rGO composite powders that were selected as the first target material in the spray pyrolysis process was studied. The crumple‐structured CoSex–rGO composite powders prepared by spray pyrolysis at 800 °C had a crystal structure consisting mainly of Co0.85Se with a minor phase of CoSe2. The bare CoSex powders prepared for comparison had a spherical shape and hollow structure. The discharge capacities of the CoSex–rGO composite and bare CoSex powders in the 50th cycle at a constant current density of 0.3 A g−1 were 420 and 215 mA h g−1, respectively, and their capacity retentions measured from the second cycle were 80 and 46 %, respectively. The high structural stability of the CoSex–rGO composite powders for repeated sodium‐ion charge and discharge processes resulted in superior sodium‐ion storage properties compared to those of the bare CoSex powders.
Chemically Stable Covalent Organic Framework (COF)‐Polybenzimidazole Hybrid Membranes: Enhanced Gas Separation through Pore Modulation
Authors: Biswal Bishnu P. , Chaudhari Harshal D. , Banerjee Rahul , Kharul Ulhas K. 
Published: February 2016

AbstractHighly flexible, TpPa‐1@PBI‐BuI and TpBD@PBI‐BuI hybrid membranes based on chemically stable covalent organic frameworks (COFs) could be obtained with the polymer. The loading obtained was substantially higher (50 %) than generally observed with MOFs. These hybrid membranes show an exciting enhancement in permeability (about sevenfold) with appreciable separation factors for CO2/N2 and CO2/CH4. Further, we found that with COF pore modulation, the gas permeability can be systematically enhanced.
Rapid Preparation of Silsesquioxane‐Based Ionic Liquids
Authors: Li Liguo , Liu Hongzhi 
Published: February 2016

AbstractThree new hybrid ionic liquids (ILs) based on cage silsesquioxane (SQ) were rapidly prepared in high yields from octa(mercaptopropyl)silsesquioxane and 1‐allyl‐3‐methylimidazolium salts (Br−, BF4−, PF6−) through the photochemical thiol–ene reaction. These SQ‐based ILs exhibited low glass transition temperatures and good thermal stability. The unique amphiphilic nature of these hybrid ILs cause them to self‐assemble into perfect vesicles with “yolk–shell” structures, in which cages formed the “yolk” due to their aggregation and outer anions formed the “shell”.
Pillar[5]arene‐Based Glycoclusters: Synthesis and Multivalent Binding to Pathogenic Bacterial Lectins
Authors: Buffet Kevin , Nierengarten Iwona , Galanos Nicolas , Gillon Emilie , Holler Michel , Imberty Anne , Matthews Susan E. , Vidal Sébastien , Vincent Stéphane P. , Nierengarten Jean‐François 
Published: February 2016

AbstractInvited for the cover of this issue are the groups of A. Imberty (Grenoble), S. Matthews (East Anglia), S. Vidal (Lyon), S. P. Vincent (Namur) and J.‐F. Nierengarten (Strasbourg). The image depicts an artistic view of bacterial lectins attracted by glycoclusters constructed on a pillar[5]arene scaffold. Read the full text of the article at 10.1002/chem.201504921.
Design and Synthesis of Highly Active Peroxisome Proliferator‐Activated Receptor (PPAR) β/δ Inverse Agonists with Prolonged Cellular Activity
Authors: Toth Philipp M. , Lieber Sonja , Scheer Frithjof M. , Schumann Tim , Schober Yvonne , Nockher Wolfgang A. , Adhikary Till , Müller‐Brüsselbach Sabine , Müller Rolf , Diederich Wibke E. 
Published: February 2016

AbstractBased on 3‐(((4‐(hexylamino)‐2‐methoxyphenyl)amino)sulfonyl)‐2‐thiophenecarboxylic acid methyl ester (ST247, compound 2), a recently described peroxisome proliferator‐activated receptor (PPAR)β/δ‐selective inverse agonist, we designed and synthesized a series of structurally related ligands. The structural modifications presented herein ultimately resulted in a series of ligands that display increased cellular activity relative to 2. Moreover, with methyl 3‐(N‐(2‐(2‐ethoxyethoxy)‐4‐(hexylamino)phenyl)sulfamoyl)thiophene‐2‐carboxylate (PT‐S264, compound 9 u), biologically relevant plasma concentrations in mice were achieved. The compounds presented in this study will provide useful novel tools for future investigations addressing the role of PPARβ/δ in physiological and pathophysiological processes.
SERS Tags: The Next Promising Tool for Personalized Cancer Detection?
Authors: Fabris Laura 
Published: February 2016

AbstractSurface‐enhanced Raman scattering (SERS) has been historically considered a tool for physical scientists. Recently, however, a new avenue has opened for the application of SERS in the medical field, mainly spurred by the implementation of SERS tags. SERS tags are employed for the indirect identification of target molecules, similarly to what fluorescent dyes do, but with several intrinsic advantages. They have proven very useful in in vivo, ex vivo, and in vitro identification of cancerous cells and tissues, with targeting selectivity that can be tuned to recognize individual markers. It has also been demonstrated for the first time that surgical outcomes may be improved via the use of SERS tags, leading to complete tumor resection. Herein, I will explain how SERS tags can aid in the identification of cancerous tissues at the single cell level and how they promise to render SERS a powerful tool for personalized cancer detection.
Comparative Investigation of the Ionicity of Aprotic and Protic Ionic Liquids in Molecular Solvents by using Conductometry and NMR Spectroscopy
Authors: Thawarkar Sachin , Khupse Nageshwar D. , Kumar Anil 
Published: February 2016

AbstractElectrical conductivity (σ), viscosity (η), and self‐diffusion coefficient (D) measurements of binary mixtures of aprotic and protic imidazolium‐based ionic liquids with water, dimethyl sulfoxide, and ethylene glycol were measured from 293.15 to 323.15 K. The temperature dependence study reveals typical Arrhenius behavior. The ionicities of aprotic ionic liquids were observed to be higher than those of protic ionic liquids in these solvents. The aprotic ionic liquid, 1‐butyl‐3‐methylimidazolium tetrafluoroborate, [bmIm][BF4], displays 100 % ionicity in both water and ethylene glycol. The protic ionic liquids in both water and ethylene glycol are classed as good ionic candidates, whereas in DMSO they are classed as having a poor ionic nature. The solvation dynamics of the ionic species of the ionic liquids are illustrated on the basis of the 1H NMR chemical shifts of the ionic liquids. The self‐diffusion coefficients D of the cation and anion of [HmIm][CH3COO] in D2O and in [D6]DMSO are determined by using 1H nuclei with pulsed field gradient spin‐echo NMR spectroscopy.
Hydrophilic Domains Enhance Nanobubble Stability
Authors: Nishiyama Takashi , Takahashi Koji , Ikuta Tatsuya , Yamada Yutaka , Takata Yasuyuki 
Published: February 2016

AbstractHighly stable nanoscale gas states at solid/liquid interfaces, referred to as nanobubbles, have been widely studied for over a decade. In this study, nanobubbles generated on a hydrophobic Teflon amorphous fluoroplastic thin film in the presence and absence of hydrophilic carbon domains are investigated by peak force quantitative nanomechanics. On the hydrophobic surface without hydrophilic domains, a small number of nanobubbles are generated and then rapidly decrease in size. On the hydrophobic surface with hydrophilic domains, the hydrophilic domains have a significant effect on the generation and stability of nanobubbles, with bubbles remaining on the surface for up to three days.
Structures of Trichloromethyl Thiocyanate, CCl3SCN, in Gaseous and Crystalline State
Authors: Berrueta Martínez Yanina , Rodríguez Pirani Lucas S. , Erben Mauricio F. , Boese Roland , Reuter Christian G. , Vishnevskiy Yury V. , Mitzel Norbert W. , Della Védova Carlos O. 
Published: February 2016

AbstractTrichloromethyl thiocyanate, CCl3SCN, was structurally studied in both the gas and crystal phases by means of gas electron diffraction (GED) and single‐crystal X‐ray diffraction (XRD), respectively. Both experimental studies and quantum chemical calculations indicate a staggered orientation of the CCl3group relative to the SCN group. This conclusion is supported by the similarity of the C−SCN bond length to that of theanti‐structure of CH2ClSCN (Berrueta Martínez et al.Phys. Chem. Chem. Phys. 2015,17, 15805–15812).Bond lengths and angles are similar for gas and crystal CCl3SCN structures; however, the crystal structure presents different intermolecular interactions. These include halogen and chalcogen type interactions, the geometry of which was studied. Characteristic C‐Y⋅⋅⋅N angles (Y=Cl or S) close to 180° provide evidence for typical σ‐hole interactions along the halogen/chalcogen−carbon bond in N⋅⋅⋅Cl and N⋅⋅⋅S, intermolecular units.
Spectroscopic Evidence for Clusters of Like‐Charged Ions in Ionic Liquids Stabilized by Cooperative Hydrogen Bonding
Authors: Knorr Anne , Stange Peter , Fumino Koichi , Weinhold Frank , Ludwig Ralf 
Published: February 2016

AbstractThe front cover artwork is provided by the group of Prof. Ralf Ludwig at the University of Rostock in collaboration with Prof. Frank Weinhold at the University of Wisconsin Madison. The image shows the cyclic tetramer of hydrogen bonded cations in ionic liquids. The like‐charge attraction is supported by strong cooperativity and weakly coordinating anions. Read the full text of the Review at 10.1002/cphc.201501134
Switchable Room‐Temperature Ferroelectric Behavior, Selective Sorption and Solvent‐Exchange Studies of [H3O][Co2(dat)(sdba)2]⋅H2sdba⋅5 H2O
Authors: Bhattacharya Saurav , Pal Somnath , Natarajan Srinivasan 
Published: February 2016

AbstractA newly synthesized compound, [H3O][Co2(dat)(sdba)2]⋅H2sdba⋅5 H2O (I, dat=3,5‐diamino‐1,2,4‐triazole; H2sdba=4,4′‐sulfonyldibenzoic acid), has Co2“paddlewheel” units connected by sdba ligands to form one‐dimensional chains, which are connected by dat to form an anionic three‐dimensional structure with cds topology. The one‐dimensional channels in the structure contain water molecules, hydronium ions and H2sdba. The water molecules could be reversibly exchanged with D2O, CH3OH and C2H5OH molecules; these exchanges were performed in a single‐crystal‐to‐single‐crystal manner. Gas sorption studies on the dehydrated compound showed the selective adsorption of CO2over methane at 195 K. Nonlinear optical measurements indicated thatIexhibits a second harmonic generation signal that is approximately one‐third that of urea. Studies of polarization versus electric field demonstrated compound Ias a potential room‐temperature ferroelectric material with a saturation polarization of 0.23 μC cm−2and remnant polarization of 0.14 μC cm−2. The dehydrated compound exhibited a simple paraelectric behavior.