bluuebunny/crossref_metadata_2025_split huggingface dataset:
Facile fabrication of highly flexible poly(lactic acid) film using alternate multilayers of poly[(butylene adipate)‐co‐terephthalate]
Authors: Lee Deuk‐Young , Lee Sang Ha , Cho Mi Suk , Nam Jae Do , Lee Youngkwan 
Published: December 2014

AbstractPoly(lactic acid) (PLA) and poly[(butylene adipate)‐co‐terephthalate] (PBAT) are both commonly used biodegradable polymers. In this study, co‐extrusion of PLA and PBAT was used to create alternately multilayered films in order to obtain high‐flexibility PLA film. The incorporation of PBAT provides enhanced flexibility to PLA and the effect is more distinct in the PLA/PBAT multilayer film as the number of layers increases. Through differential scanning calorimetric and wide‐angle X‐ray scattering analyses, the crystallinity of PLA is shown to decrease more in the multilayer film than in the blended film. Transparency is also enhanced in the multilayer film. The fabrication of alternate multilayered film by co‐extrusion of PLA and PBAT shows a new method of preparing a flexible, transparent and fully biodegradable film, which is impossible through a blending process. © 2014 Society of Chemical Industry
Self‐assembly of a triblock terpolymer mediated by hydrogen‐bonded complexes
Authors: Guerlain Claire , Piogé Sandie , Detrembleur Christophe , Fustin Charles‐André , Gohy Jean‐François 
Published: December 2014

ABSTRACTA poly(methyl methacrylate)‐block‐poly(4‐vinylpyridine)‐block‐polystyrene (PMMA‐b‐P4VP‐b‐PS) triblock terpolymer is synthesized by ATRP to study its self‐assembly with PAA in organic solvents. The self‐assembly behavior of this system is compared with the one of a mixture of two diblocks, namely polystyrene‐block‐poly(4‐vinylpyridine) (PS‐b‐P4VP) and poly(methyl methacrylate)‐block‐poly(methacrylic acid) (PMMA‐b‐PMAA). For both systems, formation of hydrogen‐bonded complexes between the P4VP and PMAA or PAA blocks occurs. These complexes become insoluble in the solvent used and micelles with a P4VP/P(M)AA complexes core surrounded by PS and PMMA coronal chains are obtained in both cases. These micelles are analyzed by DLS and TEM. Spherical micelles are formed for both systems but the hydrodynamic radii obtained for the two types of micelles are different. Indeed, the micelles formed by the PMMA‐b‐P4VP‐b‐PS + PAA system are smaller than those observed for the PS‐b‐P4VP + PMMA‐b‐PMAA system. Finally, the effect of the molar ratio of the P4VP/PMAA complexing blocks is investigated. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015, 53, 459–467
Effects of 12 Weeks of Supervised Exercise After Endovascular Treatment: A Randomized Clinical Trial
Authors: Bø Elisabeth , Bergland Astrid , Stranden Einar , Jørgensen Jørgen J. , Sandbæk Gunnar , Grøtta Ole Jørgen , Hisdal Jonny 
Published: December 2014

AbstractBackground and PurposeThis study aimed to assess the effects of supervised exercise training (SET) after percutaneous transluminal angioplasty (PTA) compared with PTA alone on physical function, limb hemodynamics and health‐related quality of life in patients with intermittent claudication.MethodsFifty patients who all underwent PTA for intermittent claudication were included in the study. Both groups received usual post‐operative care. In addition, the intervention group performed two sessions of hospital‐based SET and one home‐based exercise session per week for 12 weeks after PTA. The control group did not receive any additional follow‐up regarding exercise. The primary outcome was the result of a standardized 6‐minute walk test. Secondary outcomes were the treadmill maximum walking distance, treadmill pain‐free walking distance, ankle‐brachial index, pulse volume recording on the leg and ultrasound scanning. Health‐related quality of life was measured using the Short Form 36 and the Claudication Scale.ResultsAll measures, except for the Short Form 36 domain of mental health, showed statistically significant positive changes from baseline to 3 months for both groups (p < 0.05). At 3 months, there was a trend towards better results for the intervention group compared with the control group. The median improvement from baseline to 3 months for the 6‐minute walk test was 66 m for the intervention group and 45 m for the control group. For maximum walking distance, the median improvement was 251 m for the intervention group and 93 m for the control group.DiscussionSupervised exercise training after endovascular treatment for patients with intermittent claudication led to greater positive changes after 3 months in the intervention group compared with the control group. The present study's trends of better results with SET after PTA add to the emerging existing evidence, which should encourage physiotherapy practice to offer SET for this patient group. Copyright © 2014 John Wiley & Sons, Ltd.
Rapid detection and isotopic measurement of discrete inorganic samples using acoustically actuated droplet ejection and extractive electrospray ionization mass spectrometry
Authors: Forbes Thomas P. 
Published: December 2014

RATIONALEThe rapid detection, screening, and isotopic signature analysis of inorganics provide invaluable information for a variety of applications including explosive device detection, nuclear forensics, and environmental monitoring. The coupling of ultrasonic nebulization and extractive electrospray ionization (EESI) enabled the mass spectrometric (MS) detection and analysis of inorganics from microliter sample solution aliquots.METHODSUltrasonic nebulization and acoustic pressure wave focusing within an array of exponential horn structures were utilized for the efficient atomization of discrete liquid samples ranging in volume from 3 μL to 10 μL pipetted aliquots. In conjunction with an electro‐flow focusing source for extractive electrospray ionization (EESI), in‐source collision‐induced dissociation (CID) was utilized to enhance inorganic detection through fragmentation of adducts and reduction in chemical noise from organic compounds.RESULTSThe investigated system enhanced detection of the singly charged elemental cation species and provided accurate measurements of isotopic distributions for a number of metal ions. The extent of CID demonstrated the competition between ligand loss from hydrate clusters and charge reduction from the doubly charged to singly charged cations for the alkaline earth metal ions of strontium and barium. Inorganics were also detected from complex matrices, including synthetic fingerprint material and sediment, without detriment to device operation.CONCLUSIONSThe described system provides a versatile tool for the rapid detection, speciation, and isotopic identification of inorganic compounds at nanogram to sub‐nanogram levels from microliter aliquots. Published in 2014. This article is a U.S. Government work and is in the public domain in the USA.
Remote laser ablation electrospray ionization mass spectrometry for non‐proximate analysis of biological tissues
Authors: Compton Laine R. , Reschke Brent , Friend Jordan , Powell Matthew , Vertes Akos 
Published: December 2014

RATIONALEWe introduce remote laser ablation electrospray ionization (LAESI), a novel, non‐proximate ambient sampling technique. Remote LAESI allows additional analytical instrumentation to be incorporated during sample analysis. This work demonstrates the utility of remote LAESI and, when combined with optical microscopy, allows for the microscopy‐guided sampling of biological tissues.METHODSRapid prototyping using a 3D printer was applied to produce various ablation chamber geometries. A focused 5 ns, 2.94 µm laser pulse kept at 10 Hz ablated the sample within the chamber, remote to the mass spectrometer inlet. Ablated particulates were carried through a transfer tube by N2 gas, delivered to the electrospray plume and ionized. A long‐distance microscope was used to capture images of tissues before, during and after ablation.RESULTSOptimized remote LAESI was found to have a 27% transport efficiency compared with conventional LAESI, sufficient for many applications. A comparable molecular coverage was obtained with remote LAESI for the analysis of plant tissue. Proof‐of‐principle experiments using a pansy flower and a maple leaf indicated the functionality of this approach for selecting domains of interest for analysis by optical microscopy and obtaining chemical information from those selected regions by remote LAESI‐MS.CONCLUSIONSRemote LAESI is an ambient non‐proximate sampling technique, proven to detect metabolites in biological tissues. When combined with optical microscopy, remote LAESI allows for the simultaneous acquisition of morphological and chemical information. This technique has important implications for histology, where chemical information for specific locations within a tissue is critical. Copyright © 2014 John Wiley & Sons, Ltd.
Impact of data‐dependent exclusion list based mass spectrometry on label‐free proteomic quantification
Authors: Yeom Jeonghun , Kabir Mohammad Humayun , Lee Cheolju 
Published: December 2014

RATIONALESpectral count analysis via data‐dependent acquisition (DDA) mode mass spectrometry is used as label‐free protein quantification. However, combination of the DDA mode with exclusion list based DDA (DDA‐EL) for the similar purpose has not yet been tested. Therefore, we have taken the initiative to check the protein abundance using DDA‐EL and measured their suitability.METHODSTo check the protein abundance correlation between different samples, multiple replicates of mass spectrometric analysis of peptides were conducted primarily in DDA mode. Subsequently, peptides were analyzed in multiple replicates in DDA‐EL mode with an exclusion mass list prepared from the previous DDA analyses. The normalized spectral abundance factor (NSAF) for each identified protein was compared among replicated datasets of single DDA, DDA‐EL, merged two DDAs, and merged DDA + DDA‐EL or between different types of datasets.RESULTSA strong and linear NSAF correlation with an average correlation coefficient of 0.939 was observed in the comparison between each pair of DDA data. Similar connotation was also monitored in the comparison among DDA‐EL data (r =0.928) or among merged DDA + DDA‐EL data (r =0.960) while a reduced correlation coefficient (r =0.892) with increased deviation was marked between DDA and DDA‐EL data.CONCLUSIONSEvaluation of protein abundance patterns from different cellular states can successfully be conducted by DDA‐EL‐based mass spectrometric analysis. Therefore, the new workflow, DDA‐EL merged to DDA mode, is a potential alternative to protein identification and quantification method. Copyright © 2014 John Wiley & Sons, Ltd.
Reactive paper spray mass spectrometry for in situ identification of quinones
Authors: Zhou Xuan , Pei Jiying , Huang Guangming 
Published: December 2014

RATIONALEThe polycyclic aromatic hydrocarbons quinones are reported to be harmful and could cause mutations and cancer via the generation of reactive oxygen species through their redox cycle in human body. For detection by gas chromatography and high‐performance liquid chromatography mass spectrometry (MS), sample pretreatments and chromatographic separation prior to MS are generally required, which makes the whole analytical process laborious and time‐consuming, resulting in difficulties for fast screening targets from complicated matrices. Thus facile, rapid and reliable MS methods for detection of quinones in complicated matrices are in great demand.METHODSReactive paper spray mass spectrometry is reported for rapid identification and quantification of quinones in complicated matrices. The method is based on an in situ derivatization reaction between cysteamine and quinones prior to analysis with paper spray mass spectrometry. With the addition of an easily charged chemical tag, the ionization efficiency of analysts is greatly improved. Due to the high ionization efficiency of the drivatives, quinones in complicated matrices could be detected rapidly without any pretreatment.RESULTSUnder the optimized experimental conditions, the linear dynamic ranges for both 1,4‐benzoquinone and 1,4‐naphthoquinone are 0.4–40 ng and that for 1,4‐anthraquinone is 0.4–20 ng. Limits of detection for these three analytes were measured to be 160, 40 and 200 pg using methyl‐p‐benzoquinone as internal standard. The capability to conduct MS analysis under ambient pressure is illustrated by identification of 1,4‐naphthoquinone and 1,4‐anthraquinone in raw urine, raw serum and cell culture medium.CONCLUSIONSReactive paper spray could be applied to fast screening of quinones from complicated matrices. Therefore, we believe that reactive paper spray mass spectrometry might be potentially useful in the fields of environmental sciences, metabolomics and clinic analysis. Copyright © 2014 John Wiley & Sons, Ltd.
Automated annotation and quantitation of glycans by liquid chromatography/electrospray ionization mass spectrometric analysis using the MultiGlycan‐ESI computational tool
Authors: Hu Yunli , Zhou Shiyue , Yu Chuan‐Yih , Tang Haixu , Mechref Yehia 
Published: December 2014

RATIONALELiquid chromatography/mass spectrometry (LC/MS) is currently considered to be a conventional glycomics analysis strategy due to the high sensitivity and ability to handle complex biological samples. Interpretation of LC/MS data is a major bottleneck in high‐throughput glycomics LC/MS‐based analysis. The complexity of LC/MS data associated with biological samples prompts the needs to develop computational tools capable of facilitating automated data annotation and quantitation.METHODSAn LC/MS‐based automated data annotation and quantitation software, MultiGlycan‐ESI, was developed and utilized for glycan quantitation. Data generated by the software from LC/MS analysis of permethylated N‐glycans derived from fetuin were initially validated by manual integration to assess the performance of the software. The performance of MultiGlycan‐ESI was then assessed for the quantitation of permethylated fetuin N‐glycans analyzed at different concentrations or spiked with permethylated N‐glycans derived from human blood serum.RESULTSThe relative abundance differences between data generated by the software and those generated by manual integration were less than 5%, indicating the reliability of MultiGlycan‐ESI in quantitation of permethylated glycans analyzed by LC/MS. Automated quantitation resulted in a linear relationship for all six N‐glycans derived from 50 ng to 400 ng fetuin with correlation coefficients (R2) greater than 0.93. Spiking of permethylated fetuin N‐glycans at different concentrations in permethylated N‐glycan samples derived from a 0.02 μL of HBS also exhibited linear agreement with R2 values greater than 0.9.CONCLUSIONSWith a variety of options, including mass accuracy, merged adducts, and filtering criteria, MultiGlycan‐ESI allows automated annotation and quantitation of LC/ESI‐MS N‐glycan data. The software allows the reliable quantitation of glycan LC/MS data. The software is reliable for automated glycan quantitation, thus facilitating rapid and reliable high‐throughput glycomics studies. Copyright © 2014 John Wiley & Sons, Ltd.
Shape‐Persistent Arylene Ethynylene Organic Hosts for Fullerenes
Authors: Yu Chao , Jin Yinghua , Zhang Wei 
Published: December 2014

AbstractShape‐persistent host molecules that are constructed solely through covalent bonds have been extensively investigated as alternatives to supramolecular architectures, which have shown interesting applications such as guest encapsulation and release, catalysis, and molecular recognition. Similar to the supramolecular self‐assembly process, recent rapid development of dynamic covalent chemistry has enabled the covalent assembly of complex organic molecules that exhibit a finite cavity of well‐defined shape and size. Alkyne metathesis represents an emerging dynamic covalent reaction, which provides rigid and linear acetylene linkages. In this account, we describe the dynamic assembly of shape‐persistent arylene ethynylene cages with various shapes and sizes through one‐step alkyne metathesis. The controlled cage–fullerene binding and the potential application of these cages in fullerene purification are also discussed.
A Tetranuclear Gadolinium(III) Macrocyclic Complex: Towards High Relaxivity with the Rigid Linkers for Magnetic Resonance Imaging Contrast Agent
Authors: Zhang Wenwen , Lu Cuige , Zhao Guiyan , Zhang Jinrui , Fang Xinxiu , Wang Pixin , Fang Xuexun , Xu Jingwei , Yang Wei 
Published: December 2014

AbstractA tetranuclear neutral MRI contrast agent, (Gd‐DO3A)4‐TPM, was designed and synthesized by appending four Gd‐DO3A moieties upon the tetraphenylmethane derivatives. The longitudinal relaxivity of (Gd‐DO3A)4‐TPM measured at 20 MHz, 37 °C and pH 7.0 is 6.8 mM–1·s–1 per Gd atom, which is one‐fold higher than that of the mononuclear clinical agent [Gd(DOTA)(H2O)]–. In addition, the thermodynamic stability of (Gd‐DO3A)4‐TPM was higher than that of [Gd(DTPA)(H2O)]2–. The luminescence lifetime study on the (Eu‐DO3A)4‐TPM analogue suggested that the complex contains one inner water molecule coordinated to each Ln3+ ion. The cytotoxicity study of (Gd‐DO3A)4‐TPM indicated quite low toxicity.
Structural and Vibrational Properties of the CF3XXCF3 (X = O, S, Se, Te) Molecules
Authors: Coronel Angelina C. , Fernández Lis E. , Varetti Eduardo L. 
Published: December 2014

AbstractThe structural and vibrational data for the CF3XXCF3 (X = O, S, Se, Te) molecules were compared using DFT quantum chemistry calculations. The experimental vibrational frequencies and their assignments to the different normal modes of vibration could be confirmed. The data was also used to define a scaled quantum mechanics force field and sets of derived internal force constants for each molecule. A linear relationship between the experimental X–X bond lengths and the corresponding force constants was found. Additionally, some calculations for the mixed molecule CF3SOCF3 were made.
“Is General Surgery Still Relevant to the Subspecialised Trainee?” A 10 Year Comparison of General Versus Specialty Surgical Practice
Authors: Fleming C. A. , Khan Z. , Andrews E. J. , Fulton G. J. , Redmond H. P. , Corrigan M. A. 
Published: December 2014

AbstractBackgroundThe splintering of general surgery into subspecialties in the past decade has brought into question the relevance of a continued emphasis on traditional general surgical training. With the majority of trainees now expressing a preference to subspecialise early, this study sought to identify if the requirement for proficiency in managing general surgical conditions has reduced over the past decade through comparison of general and specialty surgical admissions at a tertiary referral center.MethodsA cross‐sectional review of all surgical admissions at Cork University Hospital was performed at three individual time points: 2002, 2007 & 2012. Basic demographic details of both elective & emergency admissions were tabulated & analysed. Categorisation of admissions into specialty relevant or general surgery was made using International guidelines.Results11,288 surgical admissions were recorded (2002:2773, 2007:3498 & 2012:5017), showing an increase of 81 % over the 10‐year period. While growth in overall service provision was seen, the practice of general versus specialty relevant emergency surgery showed no statistically significant change in practice from 2002 to 2012 (p = 0.87). General surgery was mostly practiced in the emergency setting (84 % of all emergency admissions in 2012) with only 28 % elective admissions for general surgery. A reduction in length of stay was seen in both elective (3.62–2.58 bed days, p = 0.342) & emergency admissions (7.36–5.65, p = 0.026).ConclusionsGeneral surgical emergency work continues to constitute a major part of the specialists practice. These results emphasize the importance of general surgical training even for those trainees committed to sub‐specialisation.
Metabolic pathway engineering for fatty acid ethyl ester production in Saccharomyces cerevisiae using stable chromosomal integration
Authors: de Jong Bouke Wim , Shi Shuobo , Valle-Rodríguez Juan Octavio , Siewers Verena , Nielsen Jens 
Published: December 2014

Abstract
Fatty acid ethyl esters are fatty acid derived molecules similar to first generation biodiesel (fatty acid methyl esters; FAMEs) which can be produced in a microbial cell factory. Saccharomyces cerevisiae is a suitable candidate for microbial large scale and long term cultivations, which is the typical industrial production setting for biofuels. It is crucial to conserve the metabolic design of the cell factory during industrial cultivation conditions that require extensive propagation. Genetic modifications therefore have to be introduced in a stable manner. Here, several metabolic engineering strategies for improved production of fatty acid ethyl esters in S. cerevisiae were combined and the genes were stably expressed from the organisms’ chromosomes. A wax ester synthase (ws2) was expressed in different yeast strains with an engineered acetyl-CoA and fatty acid metabolism. Thus, we compared expression of ws2 with and without overexpression of alcohol dehydrogenase (ADH2), acetaldehyde dehydrogenase (ALD6) and acetyl-CoA synthetase (acs SE L641P) and further evaluated additional overexpression of a mutant version of acetyl-CoA decarboxylase (ACC1S1157A,S659A ) and the acyl-CoA binding protein (ACB1). The combined engineering efforts of the implementation of ws2, ADH2, ALD6 and acs SE L641P , ACC1S1157A,S659A and ACB1 in a S. cerevisiae strain lacking storage lipid formation (are1Δ, are2Δ, dga1Δ and lro1Δ) and β-oxidation (pox1Δ) resulted in a 4.1-fold improvement compared with sole expression of ws2 in S. cerevisiae.
Applications of genome-scale metabolic network model in metabolic engineering
Authors: Kim Byoungjin , Kim Won Jun , Kim Dong In , Lee Sang Yup 
Published: December 2014

Abstract
Genome-scale metabolic network model (GEM) is a fundamental framework in systems metabolic engineering. GEM is built upon extensive experimental data and literature information on gene annotation and function, metabolites and enzymes so that it contains all known metabolic reactions within an organism. Constraint-based analysis of GEM enables the identification of phenotypic properties of an organism and hypothesis-driven engineering of cellular functions to achieve objectives. Along with the advances in omics, high-throughput technology and computational algorithms, the scope and applications of GEM have substantially expanded. In particular, various computational algorithms have been developed to predict beneficial gene deletion and amplification targets and used to guide the strain development process for the efficient production of industrially important chemicals. Furthermore, an Escherichia coli GEM was integrated with a pathway prediction algorithm and used to evaluate all possible routes for the production of a list of commodity chemicals in E. coli. Combined with the wealth of experimental data produced by high-throughput techniques, much effort has been exerted to add more biological contexts into GEM through the integration of omics data and regulatory network information for the mechanistic understanding and improved prediction capabilities. In this paper, we review the recent developments and applications of GEM focusing on the GEM-based computational algorithms available for microbial metabolic engineering.