bluuebunny/crossref_metadata_2025_split huggingface dataset:
High‐throughput LC–MS method for the rapid characterization of multiple chemical constituents and metabolites of Da‐Bu‐Yin‐Wan
Authors: Li Xianna , Sun Hui , Zhang Aihua , Liu Zhidong , Zou Di , Song Yanhua , Liu Liang , Wang Xijun 
Published: August 2017

AbstractTraditional Chinese medicine is the clinical experience accumulated by Chinese people against diseases. Da‐Bu‐Yin‐Wan is a famous traditional Chinese medicine formula consisting of Phellodendri amurensis Rupr., Anemarrhenae asphodeloides Bge., Radix Rehmanniae Preparata and Chinemys reevesii. In this study, ultra high performance liquid chromatography with electrospray ionization quadrupole time‐of‐flight high‐definition mass spectrometry with the control software of Masslynx (V4.1) was established for comprehensive screening and identification of the chemical constituents and serum metabolites of Da‐Bu‐Yin‐Wan in vivo and in vitro. Consequently, 70 peaks in the methanol extract from Da‐Bu‐Yin‐Wan and 38 peaks absorbed into rat blood were characterized. The 70 constituents in vitro included alkaloids, flavonoids, polysaccharide, limonoids, flavonoid, etc. And the 38 constituents consist of 22 absorbed prototypes and 16 metabolites of Da‐Bu‐Yin‐Wan absorbed in vivo. We fully clarified the chemical constituents of Da‐Bu‐Yin‐Wan and provided a scientific strategy for the screening and characterization of the chemical constituents and metabolites of traditional Chinese medicine in vitro and in vivo.
Magnetic ionic liquid assisted single‐drop microextraction of ascorbic acid before its voltammetric determination
Authors: Jahromi Zahra , Mostafavi Ali , Shamspur Tayebeh , Mohamadim Maryam 
Published: August 2017

AbstractFor the first time, we coupled a microextraction technique using a magnetic ionic liquid with voltammetric determination. A hydrophobic magnetic ionic liquid that contains the tetrachloromanganate(II) anion, namely, aliquat tetrachloromanganate(II), was synthesized and used for the extraction of ascorbic acid from aqueous solutions followed by voltammetric determination. The extraction procedure was carried out using a single drop microextraction technique in which the ascorbic acid containing magnetic ionic liquid was separated with a magnet and then cast onto the surface of a carbon paste electrode modified with TiO2 nanoparticles for the voltammetric quantification of the extracted ascorbic acid. Electrochemical quantification was carried out in a blank phosphate buffer solution. After optimizing different experimental conditions, a linear concentration range of 1.50–40.0 nM with a detection limit of 0.43 nM was obtained for the determination of ascorbic acid. The presented approach was successfully applied to the determination of ascorbic acid in samples of vitamin C effervescent tablets and orange juice.
Simultaneous determination of ferulic acid and gastrodin of Tianshu Capsule in rat plasma by ultra‐fast liquid chromatography with tandem mass spectrometry and its application to a comparative pharmacokinetic study in normal and migraine rats
Authors: Guan Jiao , Zhang Xiurong , Feng Bo , Zhao Donghai , Zhao Tong , Chang Sheng , Wang Liming , Zhu Heyun 
Published: August 2017

AbstractTianshu Capsule, consisting of Ligusticum chuanxiong Hort and Gastrodia elata Blume, is a widely used Traditional Chinese Medicine preparation for the treatment of migraine. Ferulic acid and gastrodin are main active constituents in Ligusticum chuanxiong Hort and Gastrodia elata Blume, and have been used as marker components for quality control of Tianshu Capsule. In this study, a selective, sensitive, and reliable ultra‐fast liquid chromatography with tandem mass spectrometry method was developed for simultaneous determination of ferulic acid and gastrodin in rat plasma using geniposide as internal standard. The plasma samples were extracted by protein precipitation with methanol after acidification and separated on a Shim‐Pack XR‐ODS C18 column (75 × 3.0 mm, 2.2 μm) using gradient elution with a mobile phase consisting of water (containing 0.1% formic acid) and acetonitrile at a flow rate of 0.6 mL/min. Detection was performed on 3200 QTRAP mass spectrometry equipped with turbo ion spray source in negative ionization mode. Validation parameters were within acceptable ranges. The validated method was applied to compare the pharmacokinetic profiles of ferulic acid and gastrodin in normal and migraine rats. Our results showed that there were remarkable differences in the pharmacokinetic properties of the analytes between the normal and migraine groups.
The Kelpies, the Falkirk Wheel, and the tourism‐based regeneration of Scottish Canals
Authors: McKean Andrew , Harris John , Lennon John 
Published: August 2017

AbstractThis paper examines the transformation of the Scottish Canals network for the purposes of leisure visitation as an element of tourism. It focuses on 2 iconic developments, The Kelpies and the Falkirk Wheel, which are considered in relation to their impact on destination awareness and tourism development in a particular locale. The key attraction sites illustrate successful brownfield regeneration, enduring visitation and the role of canals as multifaceted tourism assets in a specific region of Scotland. In addition, the paper provides a context for the decline and resurgence of canals in lowland Scotland.
Production planning of Pakistan Tobacco Company (PTC) using quantitative and multiple‐criteria decision analysis—A case in‐point
Authors: Yousaf Salman , Ali Yousaf , Sabir Muhammad , Masood Muhammad Tahir 
Published: August 2017

AbstractThe main purpose of this paper is to improve the production planning of Pakistan Tobacco Company by selecting the most preferred brand and subsequently generating maximum profit from it. As the company produces a variety of products, the technique of multi criteria decision making is used to select the most preferred brand. To generate the maximum output from the preferred brand, different methods of qualitative managerial analysis are used, which include decision analysis to decide “why and where” the manufacturing should be carried out, transportation model to minimize the logistics cost while meeting the demand, and linear programming technique to maximize the profit generated in 2014–2015. The result obtained from analytical hierarchy process shows that the most preferred brand of the company with respect to price, quality, and comfort is John Player Gold Leaf. The decision analysis explains that this brand should be manufactured in the Jhelum factory of the company as it is more cost‐effective to produce and there is a high availability of resources. Transportation model minimizes the logistics cost of this brand from the 2 factories while meeting the demand at each provinces, central warehouse. Linear programming contributes in generating a profit of 32.738 billion PKR with an amount of 0.35 million PKR, which is more than that of the current profit of the company in the year. These results will allow the top management of the company to take corrective decisions well in time, gain a core competency in cost reduction, and make the supply chain process more efficient.
Strategic hybrid approach for selecting suppliers of high‐density polyethylene
Authors: Ortiz‐Barrios Miguel A. , Kucukaltan Berk , Carvajal‐Tinoco Daniel , Neira‐Rodado Dionicio , Jiménez Genett 
Published: August 2017

AbstractSupplier selection is an important process for companies in the plastic sector due to its influence on firm performance and competitiveness. For a proper selection, a number of criteria from different aspects need to be considered by decision makers. Yet, as in different fields, because there are numerous criteria and alternatives to be considered in the plastic industry, choosing an appropriate multicriteria decision‐making approach has become a critical step for selecting suppliers. Therefore, the aim of this research is to define the most suitable supplier of high‐density polyethylene through the integration of powerful multicriteria decision‐making methods. For this purpose, the fuzzy analytic hierarchy process (FAHP) is initially applied to define initial weights of factors and subfactors under uncertainty, followed by the use of decision‐making trial and evaluation laboratory (DEMATEL) to evaluate interrelations between the elements of the hierarchy. Then, after combining FAHP and DEMATEL to calculate the final contributions of both factors and subfactors on the basis of interdependence, the technique for order of preference by similarity to ideal solution is used to assess the supplier alternatives. In addition, this paper also explores the differences between the judgments of decision makers for both AHP and DEMATEL methods. To do these, a case study is presented to demonstrate the validity of the proposed approach.
Prospective motion correction with NMR markers using only native sequence elements
Authors: Aranovitch Alexander , Haeberlin Maximilian , Gross Simon , Dietrich Benjamin E. , Wilm Bertram J. , Brunner David O. , Schmid Thomas , Luechinger Roger , Pruessmann Klaas P. 
Published: August 2017

PurposeTo develop a method of tracking active NMR markers that requires no alterations of common imaging sequences and can be used for prospective motion correction (PMC) in brain MRI.MethodsLocalization of NMR markers is achieved by acquiring short signal snippets in rapid succession and evaluating them jointly. To spatially encode the markers, snippets are timed such that signal phase is accrued during sequence intervals with suitably diverse gradient actuation. For motion tracking and PMC in brain imaging, the markers are mounted on a lightweight headset. PMC is then demonstrated with high‐resolution T2*‐ and T1‐weighted imaging sequences in the presence of instructed as well as residual unintentional head motion.ResultsWith both unaltered sequences, motion tracking was achieved with precisions on the order of 10 µm and 0.01° and temporal resolution of 48 and 39 ms, respectively. On this basis, PMC improved image quality significantly throughout.ConclusionThe proposed approach permits high‐precision motion tracking and PMC with standard imaging sequences. It does so without altering sequence design and thus overcomes a key hindrance to routine motion tracking with NMR markers. Magn Reson Med 79:2046–2057, 2018. © 2017 International Society for Magnetic Resonance in Medicine.
Simultaneous multi‐slice MRI using cartesian and radial FLASH and regularized nonlinear inversion: SMS‐NLINV
Authors: Rosenzweig Sebastian , Holme Hans Christian Martin , Wilke Robin N. , Voit Dirk , Frahm Jens , Uecker Martin 
Published: August 2017

PurposeThe development of a calibrationless parallel imaging method for accelerated simultaneous multi‐slice (SMS) MRI based on Regularized Nonlinear Inversion (NLINV), evaluated using Cartesian and radial fast low‐angle shot (FLASH).Theory and MethodsNLINV is a parallel imaging method that jointly estimates image content and coil sensitivities using a Newton‐type method with regularization. Here, NLINV is extended to SMS‐NLINV for reconstruction and separation of all simultaneously acquired slices. The performance of the extended method is evaluated for different sampling schemes using phantom and in vivo experiments based on Cartesian and radial SMS‐FLASH sequences.ResultsThe basic algorithm was validated in Cartesian experiments by comparison with ESPIRiT. For Cartesian and radial sampling, improved results are demonstrated compared to single‐slice experiments, and it is further shown that sampling schemes using complementary samples outperform schemes with the same samples in each partition.ConclusionThe extension of the NLINV algorithm for SMS data was implemented and successfully demonstrated in combination with a Cartesian and radial SMS‐FLASH sequence. Magn Reson Med 79:2057–2066, 2018. © 2017 International Society for Magnetic Resonance in Medicine.
Extent and risks of antidepressant off‐label use in children and adolescents in Germany between 2004 and 2011
Authors: Schröder Carsten , Dörks Michael , Kollhorst Bianca , Blenk Tilo , Dittmann Ralf W. , Garbe Edeltraut , Riedel Oliver 
Published: August 2017

AbstractPurposeSo far, only little is known about antidepressant off‐label use in pediatric patients. This is the first study examining the prevalence and the risks of off‐label antidepressant prescriptions in minors over time in Germany and analyzing patterns regarding age, sex, drug class, and type of off‐label use.MethodsWe used claims data of about two million individuals (<18 y) to calculate the share of off‐label antidepressant prescriptions for the years 2004 to 2011, stratified by age, sex, and drug class. Off‐label prescriptions were analyzed regarding underlying diagnoses, the prescribing doctor's specialty, and the type of off‐label use. Incidence rates of adverse events were calculated for off‐ and on‐label use, and the risk of suicidal events associated with off‐ or on‐label use was examined in a nested case‐control study.ResultsThe prevalence of off‐label prescriptions decreased from 58.0% to 40.9%. Selective serotonin reuptake inhibitors were more frequently prescribed off‐label than tricyclic antidepressants (37.7% vs 17.5% in 2011). The most common type of off‐label use was off‐label use by age, followed by off‐label use by indication, and off‐label use by contraindication. Adverse events were rare with no significant differences between on‐ and off‐label use.ConclusionsAlthough off‐label antidepressant use in minors decreased over time, it is still common. However, this rather indicates a lack of approved drugs for the treatment of depression in this population than inappropriate medical treatment. This is supported by the fact that off‐label use was not associated with a higher risk of adverse events than on‐label use.
A theoretical study of antioxidant activity of some Schiff bases derived from biologically important phenolic aldehydes and phenylenediamines
Authors: Borgohain Romesh , Handique Jyotirekha G. , Guha Ankur Kanti , Pratihar Sanjay 
Published: August 2017

AbstractBecause of their numerous biological as well as industrial importance, the study of Schiff bases is an emerging field for the researchers, in recent time. In this study, we have designed some Schiff bases derived from biologically important precursors. The antioxidant activities of the designed compounds are thoroughly studied theoretically using density functional theory taking various parameters like bond dissociation enthalpy, ionization enthalpy, proton dissociation enthalpy, and electron transfer enthalpy followed by the study of effects of solvent, spin density, and molecular orbital on antioxidant activity of the compounds. The comparison of antioxidant activity of the compounds with that of phenol and their parent aldehydes reveals the superior antioxidant activity of the designed compounds. This study contributes towards the information of an important bridge between bioorganic and computational chemistry.
Partially bio‐based poly(amide imide)s by polycondensation of aromatic diacylhydrazides based on lignin‐derived phenolic acids and aromatic dianhydrides: Synthesis, characterization, and computational studies
Authors: Kuhire Sachin S. , Sharma Pragati , Chakrabarty Suman , Wadgaonkar Prakash P. 
Published: August 2017

ABSTRACTTwo new bio‐based diacylhydrazide monomers, namely, 4,4′‐(propane‐1,3‐diylbis(oxy))bis(3‐methoxybenzohydrazide) and 4,4′‐(propane‐1,3‐diylbis(oxy))bis(3,5‐dimethoxybenzohydrazide) were synthesized starting from lignin‐derived phenolic acids, namely, vanillic acid and syringic acid. A series of poly(amide imide)s was synthesized by polycondensation of these diacylhydrazide monomers with commercially available aromatic dianhydrides. Poly(amide imide)s showed inherent viscosity in the range 0.44–0.56 dL g−1 and exhibited good solubility in organic solvents. Poly(amide imide)s could be cast into transparent, flexible, and tough films from their N,N‐dimethylacetamide solutions. Poly(amide imide)s showed 10% weight loss in the temperature range 340–364 °C indicating their good thermal stability. Glass transition temperature (Tg) of poly(amide imides)s were measured by DSC and DMA which were in the range 201–223 °C and 214–248 °C, respectively. The Tg values of poly(amide imide)s were dependent on the number methoxy substituents on aromatic rings of diacylhydrazide monomers. Molecular dynamics simulation studies revealed that chain rigidity is the dominant factor for observed trends in Tg. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 3636–3645
Synthesis of supramolecular precision polymers: Crystallization under conformational constraints
Authors: Reimann Sophie , Danke Varun , Beiner Mario , Binder Wolfgang H. 
Published: August 2017

ABSTRACTPlacing artificial folding elements into precision polymers is an important strategy to systematically study structure formation in self‐assembly, particularly in the semicrystalline state. To this purpose, a series of precision polymers bearing either a N‐protected or N‐unprotected diaminopyridine (DAP) unit after every 16th, 18th, and 20th carbon as well as a urea unit after every 20th carbon along a polyethylene‐like polymer were synthesized via acyclic diene metathesis polymerization and subsequent hydrogenation. The polymers thus contain either H‐bonds (urea/DAP), π–π‐elements (DAP), or no H‐bonds (respective Nprotected urea/DAP‐units) in their main chain, able to consequently study the crystallization behavior under influence of such supramolecular moieties. Therefore, the thermal properties and crystallization behavior were analyzed via differential scanning calorimetry (DSC) as well as wide angle X‐ray diffraction. The obtained crystalline polymer is influenced by the different supramolecular interactions existing between adjacent polymer chains and the varying defect size exerted by the incorporated functional groups. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 3736–3748
Identification of Highly Expressed Plasmodium Vivax Proteins from Clinical Isolates Using Proteomics
Authors: Venkatesh Apoorva , Lahiri Anwesha , Reddy Panga Jaipal , Shastri Jayanthi , Bankar Sheetal , Patankar Swati , Srivastava Sanjeeva 
Published: August 2017

AbstractPlasmodium vivax is the most geographically widespread species responsible for malaria in humans. Our study focused on identifying highly expressed parasite proteins using a shotgun proteomics approach. Parasites (P. vivax) are isolated from seven patient samples using saponin lysis. Protein extracts from these parasites are processed and subjected to LC‐MS/MS analysis. An overall proteome coverage of 605 P. vivax proteins along with 1670 human host proteins are obtained upon combining the data from LC‐MS/MS runs. While a major proportion of the P. vivax proteins are either hypothetical or involved in basic cellular activities, few proteins such as tryptophan‐rich antigen (Pv‐fam‐a; PVX_090265), Pv‐fam‐d protein (PVX_101520), Plasmodium exported protein (PVX_003545), Pvstp1 (PVX_094303) and hypothetical protein (PVX_083555) are detected in more than 80% of the clinical isolates and found to be unique to P. vivax without orthologs in P. falciparum. Our proteomics study on individual parasite isolates reveals highly expressed P. vivax proteins, few of which may be good candidates for vivax malaria diagnosis due to their abundance and absence in P. falciparum. This study represents the first step towards the identification of biomarkers for P. vivax malaria. In future, their clinical diagnostic values must be explored and validated on large patient cohorts.
Parents, local house prices, and leaving home in Britain
Authors: Bayrakdar Sait , Coulter Rory 
Published: August 2017

AbstractLeaving the parental home is a significant step in young adults' housing careers and pathways to independence. Although a large literature examines how life course trajectories influence leaving home, much less is known about how the “linked lives” of parents and the local cost of housing shape young people's departures from the family residence. By enriching the U.K. Household Longitudinal Study with house price data, this study investigates how parental attributes and the geography of local housing costs influence home leaving in contemporary Britain. The results show that higher local house prices are associated with delayed departure from the parental home, although the relative magnitude of this effect is modest. By contrast, the effects of parental factors are more nuanced. Parental characteristics have little impact on the odds of leaving home to form partnerships, whereas the likelihood of departing to live alone or in shared accommodation is reduced by parental homeownership or living with both biological parents. Taken together, these findings suggest that young adults' residential pathways are shaped by the complex patterns of choice and constraint that are generated by disparities in family circumstances and local opportunity structures.
The geographical distance between nonresident parents and children in Norway
Authors: Dommermuth Lars 
Published: August 2017

AbstractAs union dissolution rates increase in most modern societies, a growing number of children are living in post‐separation families. The geographical distance between parental households shapes the possibilities for contact between nonresident parents and children, but empirical studies are lacking. This study investigates the geographical distance between nonresident parents and children in Norway using a total population sample, including exact geographical coordinates for residency. Results show that most children are registered in the maternal household, indicating a strong social norm favouring motherhood after union dissolution. The majority of nonresident parents live within a 10‐km radius of their child, but the average distance is greater for nonresident fathers than for nonresident mothers. Multilevel analysis show that the distance between the parental households decreases with regional level of urbanisation. There is evidence that the distance between the two parental households is greater if the child was either relatively young or old at parents' union dissolution. Parents' income at this time is negatively correlated with distance. This underlines the long‐lasting impact of family characteristics at the time of parents' union dissolution on subsequent residential moves. Also different events after parents' union dissolution are associated with the geographical distance between nonresident parents and children. Time since the break‐up, the formation of a new coresidential union, and the birth of subsequent children are positively correlated with the distance between the two parental households. If children move from one parental household to the other, this is associated with longer distances, especially to nonresident mothers.