bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tailoring the luminescence and photocatalytic activity of KMn4(PO4)3by Anions (N3‐and S2‐) doping
Authors: Chandiri Sudhakar Reddy , Gundeboina Ravi , Perala Venkataswamy , Kurra Sreenu , Baig Uzma , Muga Vithal 
Published: May 2017

AbstractBACKGROUNDPhosphates of bivalent, trivalent, or quadrivalent transition metal cations with alkali or alkaline earth ions are promising materials in the field of materials science and technology. Anions‐doped phosphate materials have attracted considerable attention due to their potential applications in environmental remediation by degrading organic pollutants to less harmful byproducts. Thus, in the present work nitrogen/sulphur was doped into KMn4(PO4)3(KMnPO) to improve its visible light photocatalytic activity.RESULTS or N‐doped KMn4(PO4)3(KMnPOS or KMnPON) were prepared by a solid state method. The photocatalytic activities of these materials were evaluated by photodegradation of methylene blue, methyl violet and 4‐chlorophenol. Quenching studies were carried out to identify the reactive species during the photodegradation of dyes. The photoluminescence properties of phosphate materials were investigated, and the color coordinates were also calculated using CIE 1931 chromaticity.CONCLUSIONThe color coordinates obtained give the information that KMnPO, KMnPON and KMnPOS phosphors were suitable for blue light LEDs. KMnPOS is a novel highly visible light responsive photocatalyst and can be reused at least four times efficiently. The higher photocatalytic activity of KMnPOS can be attributed to its lower electron–hole recombination rate and generation of more•OH radicals during photoreaction. © 2017 Society of Chemical Industry
Biosynthesis of 4‐isopropylbenzoic acid from α‐pinene by using a mutant strain originated from the α‐pinene degrader Pseudomonas veronii ZW
Authors: Cheng Zhuowei , Tao Jinguo , Ye Jiexu , Li Chao , Zhang Xiaomin , Chen Jianmeng 
Published: May 2017

AbstractBACKGROUNDAnthropogenic activities, in particular industrial processes, increase the emissions of volatile organic compounds to the atmosphere. Using special microorganisms to achieve resource recovery is a challenge for pollutant purification.RESULTSThe α‐pinene‐degrading bacterium, Pseudomonas veronii ZW completely mineralized α‐pinene to CO2 and H2O. One important intermediate metabolite, 4‐isopropylbenzoic acid, was chosen as the target accumulated compound. Through mutagenesis technology, the mutant, P. veronii ZW‐A (CCTCC M2015788), was obtained from the wild strain, and its metabolic pathway for α‐pinene was verified to block in the step of 4‐isopropylbenzoic acid. A 663‐bp DNA fragment flanking the transposon insertion site was obtained through self‐formed adaptor PCR, and was designated as gene orfA, displaying 96% deduced amino acid sequence – similar to rulAB‐like protein. Since this protein contained the mono‐aromatic and polyaromatic compounds homologue degradation gene, the mutant ZW‐A might be an orfA‐disrupted strain, incapable of degrading 4‐isopropylbenzoic acid. Through the optimization of cultural medium, the accumulation rate increased from 19% to 30.4%.CONCLUSIONThis research identified the gene which was related to the degradation of 4‐isopropylbenzoic acid. Such results provided a further understanding of microbial metabolism of α‐pinene by Pseudomonas species and a new method for microbial biosynthesis of 4‐isopropylbenzoic acid. © 2017 Society of Chemical Industry
Restoration of Open‐Cut Mining in Semi‐Arid Systems: A Synthesis of Long‐Term Monitoring Data and Implications for Management
Authors: Shackelford Nancy , Miller Ben P. , Erickson Todd E. 
Published: May 2017

AbstractRestoration is becoming an increasing global priority. Particularly in high impact developments like open cut mining, restoring ecosystems to pre‐disturbance states is difficult but essential. Successful restoration of vegetation communities requires complex achievements of cover, density, community composition, species richness, and structural elements. This study synthesises 10 years of monitoring surveys to measure restoration success in six mining operations in the semi‐arid Pilbara of Western Australia, with the goal of quantifying current and past restoration performance. We assessed composition, structure, cover, density, and richness. We found that each metric resulted in slightly different performance measures within mining operations. For example, native perennial grasses in restored sites fell short of reference density and cover, while woody species density and cover were regularly within the reference range. Richness was often much higher in restored than in reference sites. Finally, to explore the potential drivers of performance, we analysed the influence of restoration characteristics on each of the vegetation metrics. We found that older restoration had increased cover and density of all vegetation types compared to more recent restoration, while other variables had impacts on restoration results that shifted between metrics and monitoring periods. Compositional similarity with reference sites was higher when restoration occurred on low impact mining activities, when first year rainfall was higher, and when seeding treatments were not applied. Overall, this assessment of long‐term monitoring data highlighted where each performance measure was important to understanding overall restoration patterns in semi‐arid systems and paves the way for improving future restoration practice. Copyright © 2017 John Wiley & Sons, Ltd.
Toward a standard for the evaluation of PET‐Auto‐Segmentation methods following the recommendations of AAPM task group No. 211: Requirements and implementation
Authors: Berthon Beatrice , Spezi Emiliano , Galavis Paulina , Shepherd Tony , Apte Aditya , Hatt Mathieu , Fayad Hadi , De Bernardi Elisabetta , Soffientini Chiara D. , Ross Schmidtlein C. , El Naqa Issam , Jeraj Robert , Lu Wei , Das Shiva , Zaidi Habib , Mawlawi Osama R. , Visvikis Dimitris , Lee John A. , Kirov Assen S. 
Published: May 2017

PurposeThe aim of this paper is to define the requirements and describe the design and implementation of a standard benchmark tool for evaluation and validation of PET‐auto‐segmentation (PET‐AS) algorithms. This work follows the recommendations of Task Group 211 (TG211) appointed by the American Association of Physicists in Medicine (AAPM).MethodsThe recommendations published in the AAPM TG211 report were used to derive a set of required features and to guide the design and structure of a benchmarking software tool. These items included the selection of appropriate representative data and reference contours obtained from established approaches and the description of available metrics. The benchmark was designed in a way that it could be extendable by inclusion of bespoke segmentation methods, while maintaining its main purpose of being a standard testing platform for newly developed PET‐AS methods. An example of implementation of the proposed framework, named PETASset, was built. In this work, a selection of PET‐AS methods representing common approaches to PET image segmentation was evaluated within PETASset for the purpose of testing and demonstrating the capabilities of the software as a benchmark platform.ResultsA selection of clinical, physical, and simulated phantom data, including “best estimates” reference contours from macroscopic specimens, simulation template, and CT scans was built into the PETASset application database. Specific metrics such as Dice Similarity Coefficient (DSC), Positive Predictive Value (PPV), and Sensitivity (S), were included to allow the user to compare the results of any given PET‐AS algorithm to the reference contours. In addition, a tool to generate structured reports on the evaluation of the performance of PET‐AS algorithms against the reference contours was built. The variation of the metric agreement values with the reference contours across the PET‐AS methods evaluated for demonstration were between 0.51 and 0.83, 0.44 and 0.86, and 0.61 and 1.00 for DSC, PPV, and the S metric, respectively. Examples of agreement limits were provided to show how the software could be used to evaluate a new algorithm against the existing state‐of‐the art.ConclusionsPETASset provides a platform that allows standardizing the evaluation and comparison of different PET‐AS methods on a wide range of PET datasets. The developed platform will be available to users willing to evaluate their PET‐AS methods and contribute with more evaluation datasets.
In vivo measurement of T1 and T2 relaxation times in awake pigeon and rat brains at 7T
Authors: Behroozi Mehdi , Chwiesko Caroline , Ströckens Felix , Sauvage Magdalena , Helluy Xavier , Peterburs Jutta , Güntürkün Onur 
Published: May 2017

PurposeEstablishment of regional longitudinal (T1) and transverse (T2) relaxation times in awake pigeons and rats at 7T field strength. Regional differences in relaxation times between species and between two different pigeon breeds (homing pigeons and Figurita pigeons) were investigated.MethodsT1 and T2 relaxation times were determined for nine functionally equivalent brain regions in awake pigeons and rats using a multiple spin‐echo saturation recovery method with variable repetition time and a multi‐slice/multi‐echo sequence, respectively. Optimized head fixation and habituation protocols were applied to accustom animals to the scanning conditions and to minimize movement.ResultsThe habituation protocol successfully limited movement of the awake animals to a negligible minimum, allowing reliable measurement of T1 and T2 values within all regions of interest. Significant differences in relaxation times were found between rats and pigeons but not between different pigeon breeds.ConclusionThe obtained T1 and T2 values for awake pigeons and rats and the optimized habituation protocol will augment future MRI studies with awake animals. The differences in relaxation times observed between species underline the importance of the acquisition of T1/T2 values as reference points for specific experiments. Magn Reson Med 79:1090–1100, 2018. © 2017 International Society for Magnetic Resonance in Medicine.
Measurement of lipid composition in human skeletal muscle and adipose tissue with 1H‐MRS homonuclear spectral editing
Authors: Lindeboom Lucas , de Graaf Robin A. 
Published: May 2017

PurposeAccumulation of triglycerides in nonadipose tissue (e.g. ectopic lipids) is characteristic of metabolic derangements and is linked to insulin resistance and cardiovascular disease. Although the detrimental effects of the total amount of ectopic fat has been established, the role of composition of the ectopic lipid stores is unknown. In this study we used proton magnetic resonance spectroscopy (1H‐MRS) homonuclear spectral editing to characterize lipid stores in adipose tissue and skeletal muscle at 4 T.MethodsA MEGA‐sLASER sequence was used to selectively detect lipid resonances that are scalar coupled to the methine resonance at 5.31 ppm and that can be used to estimate saturated fatty acid and mono‐ and polyunsaturated fatty acids. Phantom experiments were performed to empirically determine correction factors for editing efficiency of the different lipid groups.ResultsThe spectral editing approach enabled the estimation of saturated, mono‐unsaturated, and polyunsaturated fatty acid contributions in phantoms and in vivo. These estimations are in the same order as reported in studies using invasive biopsies.ConclusionsIn this study, we have shown the feasibility of spectral editing techniques for ectopic lipid store characterization with 1H‐MRS, regardless of spectral resolution (e.g., B0‐field strength). This new approach offers the opportunity to study ectopic lipid composition in relation to metabolic diseases. Magn Reson Med 79:619–627, 2018. © 2017 International Society for Magnetic Resonance in Medicine.
The INTERGROWTH‐21st gestational weight gain standard and interpregnancy weight increase: A population‐based study of successive pregnancies
Authors: Hutcheon Jennifer A. , Chapinal Nuria , Bodnar Lisa M. , Lee Lily 
Published: May 2017

ObjectiveTo link the INTERGROWTH‐21st gestational weight gain standard with the risks of excess maternal postpartum weight retention, approximated by women's weight change between successive pregnancies.MethodsA population‐based retrospective cohort study of 58,534 women delivering successive pregnancies in British Columbia, Canada (2000‐2015) was conducted. Pregnancy weight gain (kg) in the index pregnancy was converted into a gestational age‐standardized z‐score using the INTERGROWTH‐21st standard. Excess interpregnancy weight gain was defined as weight increases of 5 kg, 10 kg, or obesity (≥30 kg/m2) at the next pregnancy. Weight gain z‐scores and excess interpregnancy weight change were associated using logistic regression.ResultsFor all definitions of excess interpregnancy weight gain, risks remained low and stable below a weight gain z‐score of 0 (50th percentile) but rose sharply with increasing z‐scores above zero. Compared with women gaining −1 to 0 SD (16th to 50th percentiles), women gaining > 0 to +1 SD (51st to 84th percentiles) were 55% to 84% more likely to retain excess weight between pregnancies. Risks were three‐ to sixfold higher in women gaining >+1 SD.ConclusionsA large range of the INTERGROWTH‐21st percentiles were associated with increased risks of excess interpregnancy weight gain. The standard may normalize high weight gains of women at increased risk of excess weight retention.
Prospective evaluation of quality of life in children treated in UKALL 2003 for acute lymphoblastic leukaemia: A cohort study
Authors: Eiser C. , Stride C.B. , Vora A. , Goulden N. , Mitchell C. , Buck G. , Adams M. , Jenney M.E.M. ,   the National Cancer Research Institute Childhood Leukaemia Sub‐Group and UK Childhood Leukaemia Clinicians Network
Published: May 2017

AbstractBackgroundHealth‐related quality of life (HRQoL) from diagnosis until end of treatment for children with acute lymphoblastic leukaemia was investigated, examining effects of age, gender, risk‐stratified treatment regimen, and therapy intensity (one vs. two ‘delayed intensifications’ [DIs]).MethodIn a multi‐centre prospective study, parents reported their child's generic and disease‐specific HRQoL and their own care‐giving burden at five time points. From 1,428 eligible patients, 874 parents completed questionnaires at least once during treatment.ResultsAt each time point, generic HRQoL was significantly lower than equivalent norm scores for healthy children. HRQoL decreased significantly at the start of treatment, before recovering gradually (but remained below pre‐treatment levels). Parents reported that older children worried more about side effects and their appearance, but showed less procedural anxiety than younger children. Concern for appearance was greater among girls than boys. Compared to Regimen B (i.e. additional doxorubicin during induction and additional cyclophosphamide and cytarabine during consolidation chemotherapy), patients receiving Regimen A had fewer problems with pain and nausea. There were no statistically significant differences in HRQoL by number of DI blocks received.InterpretationHRQoL is compromised at all stages of treatment, and is partly dependent on age. The findings increase understanding of the impact of therapy on children's HRQoL and parental care‐giving burden, and will contribute to the design of future trials.
Long‐term follow‐up of endocrine function among young children with newly diagnosed malignant central nervous system tumors treated with irradiation‐avoiding regimens
Authors: Cochrane Anne M. , Cheung Clement , Rangan Kasey , Freyer David , Nahata Leena , Dhall Girish , Finlay Jonathan L. 
Published: May 2017

AbstractBackgroundThe adverse effects of irradiation on endocrine function among patients with pediatric brain tumor are well documented. Intensive induction chemotherapy followed by marrow‐ablative chemotherapy with autologous hematopoietic cell rescue (AuHCR) without central nervous system (CNS) irradiation has demonstrated efficacy in a proportion of very young children with some malignant CNS tumors. This study assessed the long‐term endocrine function of young children following chemotherapy‐only treatment regimens.ProceduresA retrospective chart review was performed on 99 patients under 6 years of age with malignant brain tumors newly diagnosed between May 1991 and October 2010 treated with irradiation‐avoiding strategies. Thirty patients survived post‐AuHCR without cranial irradiation for a mean of 8.1 years (range 3.0–22.25 years). The patient cohort included 18 males and 12 females (mean age at AuHCR of 2.5 years, range 0.8–5.1 years).ResultsAll 30 surviving patients had documented normal age‐related thyroid function, insulin‐like growth factor binding protein 3 (IGF‐BP3), prolactin, testosterone, and estradiol levels. Insulin‐like growth factor 1 age‐related levels were abnormal in one child with normal height. Ninety‐seven percent of patients had normal cortisol levels, while follicle‐stimulating hormone and LH levels among females were normal in 83% and 92%, respectively, and in 100% of males. Growth charts demonstrated age‐associated growth within 2 standard deviations of the mean in 67% of patients. Of 10 patients (33%) with short stature, 6 had proportional diminutions in both height and weight.ConclusionsThese findings demonstrate that the use of relatively brief, intensive chemotherapy regimens including marrow‐ablative chemotherapy with AuHCR results in fewer endocrine sequelae than treatment schemes utilizing CNS irradiation.
A Click‐Generated Triethoxysilane Tethered Ferrocene‐Chalcone‐Triazole Triad for Selective and Colorimetric Detection of Cu2+ Ions
Authors: Singh Gurjaspreet , Arora Aanchal , Rani Sunita , Kalra Pooja , Kumar Manoj 
Published: May 2017

AbstractThis article describes an efficient synthetic approach to design ferrocene tailed chalcone appended triazole encapped organosilanes (7‐12) from acetylinic ferrocene precursors (1‐6). The synthesized compounds were well characterized by general spectroscopic techniques. The framed ligands were then evaluated for their ion sensing properties and were found to display significant perturbation in their absorption and emission behaviour upon addition of Cu2+ ions. Their sensing ability is highly reversible on addition of ethylenediaminetetraacetic acid (EDTA) and hence can be employed as potential Cu(II) sensing materials. In addition, the presence of ferrocene functionality overtures an electro active unit generating a multiple signalling sensor that also offers naked eye detection of Cu(II) ions with analytical detection limit of as low as 10 μM. Above all, the designed chemosensor exhibits tolerance against other metal ions which enables the Cu2+ ion detection even in a complex matrix. Complexation behaviour of one of the silanes, FCTS 12 was also deliberated by computational analysis following DFT approach.
Graphene Oxide Nanosheets as An Efficient and Reusable Sorbents for Eosin Yellow Dye Removal from Aqueous Solutions
Authors: Veerakumar Pitchaimani , Tharini Jeyapragasam , Ramakrishnan Muneeswaran , Panneer Muthuselvam I. , Lin King‐Chuen 
Published: May 2017

AbstractIn this study, 2D graphene oxide nanosheets (GONS) were synthesized and characterized by XRD, Raman, SEM, FE‐SEM, TEM, XPS, TGA, UV‐vis and FTIR spectral techniques. The efficiency of eosin yellow (EY) dye adsorption on the GONS under various experimental parameters such as contact time, pH and temperature was investigated. Adsorption kinetic data were characterized appropriately using pseudo second‐order‐kinetics and intraparticle diffusion methods. Free energy of adsorption (ΔG0), enthalpy (ΔH0), entropy (ΔS0) changes, activation energy and Arrhenius factors were also calculated. The endothermic and spontaneous nature of the adsorption process was confirmed by the positive value of the enthalpy change (ΔH0) and the negative value of free energy change (ΔG0). The adsorption mechanism was investigated by FTIR spectra of GONS before and after adsorption of EY dye molecules. The remarkable adsorption capacity of EY onto the GONS can be attributed to the various adsorption interaction mechanisms such as hydrogen bonding, π‐π electron, and electrostatic interactions. The maximum adsorption capacity for EY was calculated to be 217.33 mg g‐1.
Mechanistic Study on Electrocatalytic Hydrogen Evolution by High Efficiency Graphene/MoS2 Heterostructure
Authors: Behera Sushant Kumar , Deb Pritam , Ghosh Arghya 
Published: May 2017

AbstractImproved efficiency of N‐doped graphene in van der Waals heterostructure (vdW) for hydrogen evolution reaction (HER) can complement future hydrogen economy. The local electronic environment of layered graphene/MoS2 interface is significantly influenced by doping with foreign atoms. Moreover, electrochemical robust hydrogen evolution at basal planes of vdW heterostructure and the underneath atomic‐scale reaction mechanism is yet to be realised. We have investigated the mechanism of substitutional N‐doping and its catalytic efficiency towards HER process on the basis of density functional theory. By analysing the electronic structure, free‐energy diagrams, Volmer reaction paths and volcano plot analysis, it is inferred that nitrogen doping on graphene layer significantly modulate the hydrogen binding energies resulting in numerous orders of magnitude enhancement in HER activity. This study shows an optimal way to tune hydrogen binding on graphene/MoS2 heterostructure, an efficient electrocatalyst tending towards the value gained by platinum.
Conformation‐Independent QSAR Study on Human Epidermal Growth Factor Receptor‐2 (HER2) Inhibitors
Authors: Duchowicz Pablo R. , Fioressi Silvina E. , Castro Eduardo , Wróbel Karolina , Ibezim Nnenna E. , Bacelo Daniel E. 
Published: May 2017

AbstractInhibition of HER2 (human epidermal growth factor receptor 2) expression and function is required in several cancer treatments. Numerous compounds with very different molecular structures have been suggested as HER2 inhibitors. Here we perform quantitative structure‐activity relationship (QSAR) analysis on 444 of such compounds to investigate the molecular properties that may influence its efficiency. Models based on 1D and 2D flexible molecular descriptors are proposed to develop simple models based solely on constitutional and topological molecular features. A large number of non‐conformational descriptors (17974) was used to thoroughly explore the structural characteristics that influence the HER2 inhibitory activity. Three different approaches were explored using: 1) Molecular Descriptors, 2) Flexible Molecular Descriptors, and 3) Hybrid Descriptors. A QSAR model for HER2 inhibitors was successfully developed. Some properties such as electronegativity, aromatic character, and the presence of amino groups appear as molecular characteristics that may have influence in the HER2 inhibitory activity.
Preparation and Characterization of Functional Alkoxysilanes via Catalyst‐Free Aza‐Michael Reaction
Authors: Feng Linglong , Zhu Siyu , Zhang Wenyu , Mei Kai , Wang Hua , Feng Shengyu 
Published: May 2017

AbstractIt is challenging to functionalize alkoxysilanes since they are moisture sensitive. The aza‐Michael reaction is reported as a simple and efficient way to prepare functional alkoxysilanes. The alkoxysilanes were synthesized by reacting amino‐alkoxysilanes with electron‐deficient alkenes under mild reaction conditions without any catalyst. The yield was very high, and a wide range of functional groups could be tolerated in this methodology to form monofunctional or multifunctional alkoxysilanes.