bluuebunny/crossref_metadata_2025_split huggingface dataset:
Energetic Basis of AGCGA‐Rich DNA Folding into a Tetrahelical Structure
Authors: Hadži San , Kocman Vojč , Oblak Domen , Plavec Janez , Lah Jurij 
Published: January 2019

AbstractIt was recently discovered that, besides well‐known G‐quadruplexes and i‐motifs, DNA may adopt another type of noncanonical structure called AGCGA‐quadruplexes. Here, the folding of the VK2 fragment from the regulatory region of the PLEKHG3 gene is studied and, for the first time, the energetic contributions that stabilize this unique fold are described. Similarly to the B‐DNA, it is stabilized by hydrophobic desolvation and, in contrast to G‐quadruplexes, also by specific binding of water molecules. Compared to B‐DNA, VK2 folding is enthalpically less favorable due to poorer base‐stacking interactions, resulting in substantial conformational flexibility. This entropically favorable conformational “breathing” stabilizes the AGCGA‐quadruplexes. In conclusion, AGCGA‐quadruplexes have a distinguishing thermodynamic fingerprint and the corresponding driving forces enabling their folding are consistent with the observed structural features.
Transfer Hydrocyanation of α‐ and α,β‐Substituted Styrenes Catalyzed by Boron Lewis Acids
Authors: Orecchia Patrizio , Yuan Weiming , Oestreich Martin 
Published: January 2019

AbstractA straightforward gram‐scale preparation of cyclohexa‐1,4‐diene‐based hydrogen cyanide (HCN) surrogates is reported. These are bench‐stable but formally release HCN and rearomatize when treated with Lewis acids. For BCl3, the formation of the isocyanide adduct [(CN)BCl3]− and the corresponding Wheland complex was verified by mass spectrometry. In the presence of 1,1‐di‐ and trisubstituted alkenes, transfer of HCN from the surrogate to the C−C double bond occurs, affording highly substituted nitriles with Markovnikov selectivity. The success of this transfer hydrocyanation depends on the Lewis acid employed; catalytic amounts of BCl3 and (C6F5)2BCl are shown to be effective while B(C6F5)3 and BF3⋅OEt2 are not.
Quickly self‐healing hydrogel at room temperature with high conductivity synthesized through simple free radical polymerization
Authors: Yue Lipei , Zhang Xiaoyong , Li Weidong , Tang Ying , Bai Yongping 
Published: January 2019

ABSTRACTThe use of conductive self‐healing hydrogels in electronic devices not only reduces replacement and maintenance costs but also prolongs their lifetime. Therefore, developing hydrogels with autonomous self‐healing properties and electronic conductivity is vital for the advancement of emerging fields, such as conductors, semiconductors, sensors, artificial skin, and electrodes and solar cells. However, it remains a challenge to fabricate a hydrogel with high conductivity that can be healed quickly at room temperature without any external stimulus. In this work, we report an effective and simple free radical polymerization approach to synthesizing a hydrogel using modified rGO and acrylate monomers containing abundant ion groups. The hydrogel exhibits excellent electronic conductivity, extremely fast electronic self‐healing ability, and excellent repeatable restoration performance at 25 °C. The conductivity of the hydrogel reaches 27.2 S/m, the hydrogel recovers its original shape, and scoring scratched on the surface totally disappears after holding at 25 °C for 40 s. This conductive, room‐temperature self‐healing hydrogel takes unique advantage of supramolecular chemistry and polymer nanoscience and has potential applications in various fields such as self‐healing electronics, artificial skin, soft robotics, biomimetic prostheses, and energy storage. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47379.
Grape stalk fibers as reinforcing filler for polymer composites with a polystyrene matrix
Authors: Borsoi Cleide , Menin Cristiano , Lavoratti Alessandra , Zattera Ademir José 
Published: January 2019

ABSTRACTLignocellulosic fibers have been one of the most used reinforcements for different types of composites. In this context, grape stalks—often discarded in landfills—can be a potential reinforcement for composites. The present study aimed to incorporate in natura and alkali treated grape stalks into the polystyrene (PS) matrix. Initially, the grape stalks were treated with NaOH and 10, 20, and 30 wt % of stalks were added into the PS matrix. The alkaline treatment of the grape stalk fibers promoted the removal of hemicellulose and the partial removal of lignin, thus increasing the surface roughness and crystallinity index of the fibers. An improvement in the mechanical and dynamic‐mechanical properties and an increase in the maximum degradation temperature of the composites were observed. In conclusion, the use of grape stalks is a promising alternative for reinforcing composites, and, in addition, a more proper destination can be given to this type of residue. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47427.
Low‐density polyethylene/polyamide 6 blends from multilayer films waste
Authors: Moreno Diego David Pinzón , Saron Clodoaldo 
Published: January 2019

ABSTRACTMultilayer films combine properties of different polymers in a single material, attending specifications to applications such as packaging. However, the mechanical recycling for this material king is commercially less interesting because the polymeric components cannot easily be separated and the direct mechanical processing of the material leads to the immiscible and incompatible polymeric blends. The aim of this study was to evaluate properties of the blends of low‐density polyethylene (LDPE) and polyamide 6 (PA6) generated from mechanical recycling of multilayer films constituted by LDPE and PA6, containing maleic anhydride grafted polyethylene (PE‐g‐MA) as compatibilizing agent and different amounts of virgin PA6. The LDPE/PA6 blends are immiscible for all composition and the use of PE‐g‐MA has showed little effect on the compatibility of the blends with high content of PA6. However, LDPE/PA6 blends with PA6 content up to 20 wt % showed considerable performance for mechanical performance that can justify the mechanical recycling of the material. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47456
Colorimetric chemosensor for Ni2+ based on alizarin complexone and a cationic polyelectrolyte in aqueous solution
Authors: Inoue Koshiro , Aikawa Shunichi , Fukushima Yasumasa 
Published: January 2019

ABSTRACTA new and convenient chemosensor for detecting Ni2+ in aqueous buffer has been developed by mixing an anionic organic dye, alizarin complexone (ALC) and a cationic polyelectrolyte, poly(diallyldimethylammonium chloride) (PDADMAC). After addition of Ni2+, the chemosensor exhibits a remarkable bathochromic shift with a significant color change from red to blue, while other metal ions did not induce such a change. The color change may be attributed to the aggregate formation of an ALC‐based Ni2+ complex on the surface of PDADMAC. The results showed that the ALC and PDADMAC mixture can be applied to detect Ni2+ selectively with colorimetric changes. This investigation can lead to the construction of new chemosensors by facile and simple mixture of a water‐soluble dye and an oppositely charged polyelectrolyte. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47496.
Development and characterization of EST‐SSR markers for Vitex negundo var. heterophylla (Lamiaceae)
Authors: Liu Lele , Wang Jingwen , Yin Meiqi , Guo Xiao , Cai Yunfei , Du Ning , Yu Xiaona , Guo Weihua 
Published: January 2019

Premise of the StudyVitex negundo var. heterophylla (Lamiaceae) is a dominant shrub in the warm temperate zone of northern China. Expressed sequence tag–simple sequence repeat (EST‐SSR) markers were developed to investigate its genetic diversity and structure.Methods and ResultsWe detected 12,075 SSRs in V. negundo var. heterophylla using transcriptome sequencing. Primer pairs for 100 SSR loci were designed and amplified in three populations of V. negundo var. heterophylla. Sixty loci were amplified, of which 14 were polymorphic. The number of alleles per locus ranged from two to 15, and levels of observed and expected heterozygosity ranged from 0.241 to 0.828 and from 0.426 to 0.873, respectively. All primer pairs amplified PCR products from V. rotundifolia but only four of them amplified products from Leonurus japonicus.ConclusionsThe identified EST‐SSR markers will be useful for future molecular and reproductive ecology studies of V. negundo var. heterophylla and V. rotundifolia.
Progression of Structural Damage in the Sacroiliac Joints in Patients With Early Axial Spondyloarthritis During Long‐Term Anti–Tumor Necrosis Factor Treatment: Six‐Year Results of Continuous Treatment With Etanercept
Authors: Rios Rodriguez Valeria , Hermann Kay‐Geert , Weiß Anja , Listing Joachim , Haibel Hildrun , Althoff Christian , Proft Fabian , Behmer Olaf , Sieper Joachim , Poddubnyy Denis 
Published: January 2019

ObjectiveTo evaluate radiographic progression in the sacroiliac (SI) joints and to identify its predictors during long‐term treatment (up to 6 years) with the tumor necrosis factor (TNF) inhibitor etanercept in patients with early axial spondyloarthritis (SpA).MethodsPatients with early axial SpA who were treated with etanercept for up to 6 years in the Etanercept versus Sulfasalazine in Early Axial Spondyloarthritis (ESTHER) trial were selected based on the availability of radiographs of the SI joints. Two readers who were blinded with regard to clinical data scored the radiographs according to the modified New York criteria (range 0–4 per SI joint). A sacroiliitis sum score (total range 0–8) was calculated as the mean of the scores of the 2 readers. Active and chronic inflammatory changes in the SI joints on magnetic resonance imaging (MRI) performed at baseline, year 2, and year 4 were assessed according to the Berlin MRI scoring system.ResultsOf the 76 patients originally included in the study, 42 had radiographs of the SI joints available at baseline and at least 1 follow‐up time point (year 2, 4, or 6). The mean ± SD change in the sacroiliitis sum score was 0.13 ± 0.73, −0.27 ± 0.76, and −0.09 ± 0.68, in the time intervals baseline to year 2, year 2 to year 4, and year 4 to year 6, respectively. In the longitudinal mixed model analysis, elevated C‐reactive protein level (β = 0.58 [95% confidence interval 0.24, 0.91]) and MRI SI joint osteitis score (β = 0.06 [95% confidence interval 0.03, 0.10]) were independently associated with progression of the sacroiliitis sum score.ConclusionOur findings indicate that long‐term anti‐TNF therapy decelerates the progression of structural damage in the SI joints. Elevated CRP level and presence of osteitis on MRI were independently associated with radiographic sacroiliitis progression.
Identification of Low‐Abundance Urinary Biomarkers in Lupus Nephritis Using Electrochemiluminescence Immunoassays
Authors: Stanley Samantha , Mok Chi Chiu , Vanarsa Kamala , Habazi Deena , Li Jennifer , Pedroza Claudia , Saxena Ramesh , Mohan Chandra 
Published: January 2019

ObjectiveTo investigate the utility of a sensitive platform using electrochemiluminescence (ECL) for the identification of low‐abundance urinary protein biomarkers in lupus nephritis (LN).MethodsForty‐eight urine samples were obtained from subjects in 2 independent cohorts, each consisting of 3 groups (matched for age, sex, and race) of 8 patients with active LN (renal Systemic Lupus Erythematosus Disease Activity Index [SLEDAI] >0), 8 patients with inactive SLE (renal SLEDAI 0), and 8 healthy controls. Samples were tested using a preexisting 40‐plex ECL panel. A custom 5‐plex ECL panel was then developed for further validation studies and used to test 140 urine samples (from 44 patients with active LN, 41 patients with inactive SLE, 28 healthy controls, and 27 patients with other kidney diseases).ResultsLevels of 17 urinary proteins were elevated (P < 0.05 by 2‐tailed Mann‐Whitney U test) in samples from patients with active LN compared to samples from patients with inactive SLE and healthy controls in cohort 1, while 9 were similarly elevated in cohort 2. Of these, interleukin‐7 (IL‐7), IL‐12p40, IL‐15, interferon‐γ–inducible protein 10 (IP‐10), and thymus and activation–regulated chemokine (TARC) were chosen for further validation. These 5 proteins were undetectable by enzyme‐linked immunosorbent assay (ELISA). Hence, a custom 5‐plex ECL panel was developed and used to validate the results from the initial 40‐plex screening panel. Urinary IL‐7, IL‐12p40, IL‐15, IP‐10, and TARC levels were again significantly elevated in patients with active LN compared to those with inactive SLE and healthy controls, and correlated well with the renal SLEDAI and physician's global assessment of disease activity (R > 0.67, P < 0.05). All 5 urinary proteins were more frequently elevated in LN compared to controls with other chronic kidney diseases, although overall group differences attained significance only for urinary IL‐7 and IL‐15.ConclusionUrinary levels of IL‐7, IL‐12p40, IL‐15, IP‐10, and TARC are potentially useful diagnostic tools in LN. The use of ECL assays may allow detection of urinary biomarkers that are below ELISA detection limits.
Variable‐Temperature Resonance Raman Studies to Probe Interchain Ordering for Semiconducting Conjugated Polymers with Different Chain Curvature
Authors: Sutton Joshua J. , Nguyen Thanh Luan , Woo Han Young , Gordon Keith C. 
Published: January 2019

AbstractThe morphology and crystallinity of the polymers used to fabricate bulk heterojuction (BHJ) solar cells significantly influences the efficiency of the cells. We have used variable‐temperature (VT) spectroscopy techniques, namely VT emission and VT resonance Raman spectroscopy (VT‐RRS), to examine how the backbone linearity of a conducting polymer affects its electronic response to temperature and variations in solution behavior. We have studied two types of donor–acceptor polymers used in BHJ cells with differing backbone structures; they are poly‐{5,6‐bis(tetradecyloxy)‐4‐(thiophen‐2‐yl)benzo[c]‐1,2,5‐thiadiazole} (PTBT) which has a curved backbone and poly‐{5,6‐bis(tetradecyloxy)‐4‐(thieno[3,2‐b]‐thiophen‐2‐yl)benzo[c]‐1,2,5‐thiadiazole} (PTTBT) which has a linear chain structure. Time‐dependent density functional theory (TD‐DFT) calculations and resonance Raman spectra (RRS) of PTTBT revealed the presence of three electronic transitions, with character that varies between π to π*, mixed π to π*/charge transfer and pure charge transfer in nature. Emission spectra of PTTBT showed spectral changes at 650 and 710 nm with varied temperature (−10 to 60 °C). Variable‐temperature RRS was measured in resonance with the lowest and highest energy electronic transitions. The changes were interpreted using two‐dimensional correlation spectroscopy (2DCOS) analysis. PTTBT showed gradual shifts to lower wavenumbers of modes at around 1425, 1450 and 1500 cm−1. For PTBT larger and more rapid spectral changes are observed at 1440 and 1460 cm−1 consistent with greater variation in the electronic nature upon heating. Further study into the influence of polymer linearity on crystallinity and long range order was carried out using low‐frequency Raman (LFR) to examine drop cast films under a variety of different conditions. LFR spectra showed that PTTBT has a band at 73 cm−1. This is observed under a variety of film‐forming conditions. PTBT does not show distinct low frequency modes, consistent with its low crystallinity.
Synthesis of Bioactive Side‐Chain Analogues of TAN‐2483B
Authors: Somarathne Kalpani K. , McCone Jordan A. J. , Brackovic Amira , Rivera José Luis Pinedo , Fulton J. Robin , Russell Euan , Field Jessica J. , Orme Christopher L. , Stirrat Hedley L. , Riesterer Jasmin , Teesdale‐Spittle Paul H. , Miller John H. , Harvey Joanne E. 
Published: January 2019

AbstractThe fungal metabolite TAN‐2483B has a 2,6‐trans‐relationship across the pyran ring of its furo[3,4‐b]pyran‐5‐one core, which has thwarted previous attempts at its synthesis. We have now developed a chiral pool approach to this core and prepared side‐chain analogues of TAN‐2483B. The synthesis relies on ring expansion of a reactive furan ring‐fused dibromocyclopropane and alkynylation of the resulting pyran. The furan ring is constructed by palladium‐catalysed carbonylative lactonisation. Various side‐chains are appended through Wittig‐type chemistry. The prepared analogues showed micromolar activity towards cancer cell lines HL‐60, 1A9 and MCF‐7 and certain human disease‐relevant kinases, including Bruton's tyrosine kinase (Btk).
Prepregnancy asthma and the subsequent risk of central nervous system defects in offspring
Authors: Auger Nathalie , Arbour Laura , Kabageni Adeline , Healy‐Profitós Jessica , Ayoub Aimina , Fraser William D. 
Published: January 2019

BackgroundThe relationship between childhood asthma and central nervous system defects in offspring is poorly understood. We assessed if childhood asthma was associated with the risk of having an infant with neural tube or other nervous system defects compared with asthma during pregnancy.MethodsWe analyzed a longitudinal cohort of 128,060 women who were 5 years or less at study entry and later delivered an infant in Quebec, Canada (1989–2014). We identified women hospitalized for asthma before pregnancy, including childhood and adolescence, and determined if asthma was present during pregnancy based on obstetric records. Main outcomes were neural tube and non‐neural tube defects in pregnancy. We used log‐binomial regression models to determine risk ratios (RR) and 95% confidence intervals (CI) for the association between asthma and risk of nervous system defects, adjusting for patient characteristics.ResultsAsthma was associated with a greater risk of neural tube defects in offspring (RR 2.39, 95% CI 1.03–5.53) compared with no asthma, but not non‐neural tube defects (RR 1.10, 95% CI 0.71–1.71). Women whose asthma resolved before pregnancy had a greater risk of neural tube defects (RR 3.43, 95% CI 1.35–8.69), while women with asthma during pregnancy were at greater risk of non‐neural tube defects, especially microcephaly (RR 2.80, 95% CI 1.23–6.40).ConclusionsAsthma that resolved before pregnancy was associated with an increased risk of neural tube defects in offspring but not non‐neural tube defects. Further investigation is needed to determine the pathophysiology connecting childhood asthma with nervous system defects in offspring.
Metabolite Profiling of Anti‐Addictive Alkaloids from Four Mexican Tabernaemontana Species and the Entheogenic African Shrub Tabernanthe iboga (Apocynaceae)
Authors: Krengel Felix , Chevalier Quentin , Dickinson Jonathan , Herrera Santoyo Josefina , Reyes Chilpa Ricardo 
Published: January 2019

AbstractIbogaine and other ibogan type alkaloids present anti‐addictive effects against several drugs of abuse and occur in different species of the Apocynaceae family. In this work, we used gas chromatography‐mass spectrometry (GC/MS) and principal component analysis (PCA) in order to compare the alkaloid profiles of the root and stem barks of four Mexican Tabernaemontana species with the root bark of the entheogenic African shrub Tabernanthe iboga. PCA demonstrated that separation between species could be attributed to quantitative differences of the major alkaloids, coronaridine, ibogamine, voacangine, and ibogaine. While T. iboga mainly presented high concentrations of ibogaine, Tabernaemontana samples either showed a predominance of voacangine and ibogaine, or coronaridine and ibogamine, respectively. The results illustrate the phytochemical proximity between both genera and confirm previous suggestions that Mexican Tabernaemontana species are viable sources of anti‐addictive compounds.
Promotion of Glycerol Oxidation by Selective Ru Decoration of (100) Domains at Nanostructured Pt Electrodes
Authors: Tam Brian , Duca Matteo , Wang Andrew , Fan Mengyang , Garbarino Sébastien , Guay Daniel 
Published: January 2019

AbstractGlycerol (GlOH) electrooxidation is a potential route to GlOH valorisation. In this work, we show that GlOH oxidation can be enhanced at bimetallic Pt−Ru electrodes with respect to bare Pt in sulphuric acid. We electrodeposited high‐surface area Pt electrodes comprising of 40 % (100) sites, along with a smaller amount of (111) domains. Spontaneous Ru deposition was carried out by immersion in a RuCl3 solution for a varying amount of time. Voltammetric methods demonstrated that (100) sites are decorated most readily. Pt−Ru electrodes display an earlier onset potential for COads oxidation, which translates into an anticipation of the main GlOH oxidation wave. Under prolonged Ru deposition, Ru decoration also proceeds close to (111) Pt domains, as highlighted by CO stripping. We suggest that such ensembles may play a critical role in achieving optimal GlOH activity at Pt−Ru.
Thermally Activated Multilayered Carbon Cloth as Flexible Supercapacitor Electrode Material with Significantly Enhanced Areal Energy Density
Authors: Wang Qinghua , Ren Wenhao , Gao Feng , Qiu Chunyu , Wang Qingxiang , Gao Fei , Zhao Chuan 
Published: January 2019

AbstractCarbon cloth, an inexpensive and conductive textile, holds great promise as substrate for constructing electrical double‐layer capacitors due to its mechanical and electrochemical superiority. However, its widespread application is significantly hampered by the intrinsic low specific capacity. In this work, we demonstrate that the areal capacitance of commercial carbon cloth is raised for 800‐folds by a direct thermal activation strategy. When evaluated as the symmetric supercapacitor electrodes, thermally activated carbon cloth (TACC) displays the outstanding performance with areal capacitance up to 3291 mF cm−2 and the energy density of 740 μW h cm−2 at a power density of 9000 μW cm−2. In addition, the TACC‐based electrode reserves 95.2 % capacitance after 10,000 charge‐discharge cycles in a neutral NaBF4 electrolyte, showing outstanding cycle durability of the material. This work offers a foolproof and scalable method to prepare flexible electrode materials for wearable energy storage devices.
Polyaniline‐Intercalated FeOCl Cathode Material for Chloride‐Ion Batteries
Authors: Yu Tingting , Yang Renjie , Zhao Xiangyu , Shen Xiaodong 
Published: January 2019

AbstractIron oxychloride is regarded as a promising cathode material for chloride‐ion batteries, owing to its high theoretical capacity and abundant elemental resources. Its cycling stability, however, is limited by the intrinsic low conductivity and large volume change during cycling. Herein, the polyaniline‐intercalated iron oxychloride, in which the interlayer spacing along the b‐axis direction is greatly expanded from 0.79 to 1.4 nm, is developed as a cathode material for chloride‐ion batteries. Benefiting from the uniform expanded laminated structure and high structural integrity, the fully polyaniline‐intercalated iron oxychloride cathode delivers a short activation process, significantly improved charge transfer, and superior cycling stability. For example, a high reversible capacity of 120 mAh g−1, owing to the redox reaction based on chloride ion transfer, is achieved after 50 cycles, showing good capacity retention of 82 %. In contrast, the pure iron oxychloride cathode suffers from severe capacity decay and only 61 mAh g−1 (42 % capacity retention) is kept. This work demonstrates a new strategy for designing high‐performance layered electrodes of chloride ion batteries.