bluuebunny/crossref_metadata_2025_split huggingface dataset:
Functionalized Proline‐Rich Peptides Bind the Bacterial Second Messenger c‐di‐GMP
Authors: Foletti Carlotta , Kramer Rolf A. , Mauser Harald , Jenal Urs , Bleicher Konrad H. , Wennemers Helma 
Published: March 2018

Abstractc‐di‐GMP is an attractive target in the fight against bacterial infections since it is a near ubiquitous second messenger that regulates important cellular processes of pathogens, including biofilm formation and virulence. Screening of a combinatorial peptide library enabled the identification of the proline‐rich tetrapeptide Gup‐Gup‐Nap‐Arg, which binds c‐di‐GMP selectively over other nucleotides in water. Computational and CD spectroscopic studies provided a possible binding mode of the complex and enabled the design of a pentapeptide with even higher binding strength towards c‐di‐GMP. Biological studies showed that the tetrapeptide inhibits biofilm growth by the opportunistic pathogen P. aeruginosa.
Recent Advances in Analytical Pyrolysis to Investigate Organic Materials in Heritage Science
Authors: Degano Ilaria , Modugno Francesca , Bonaduce Ilaria , Ribechini Erika , Colombini Maria Perla 
Published: March 2018

AbstractThe molecular characterization of organic materials in samples from artworks and historical objects traditionally entailed qualitative and quantitative analyses by HPLC and GC. Today innovative approaches based on analytical pyrolysis enable samples to be analysed without any chemical pre‐treatment. Pyrolysis, which is often considered as a screening technique, shows previously unexplored potential thanks to recent instrumental developments. Organic materials that are macromolecular in nature, or undergo polymerization upon curing and ageing can now be better investigated. Most constituents of paint layers and archaeological organic substances contain major insoluble and chemically non‐hydrolysable fractions that are inaccessible to GC or HPLC. To date, molecular scientific investigations of the organic constituents of artworks and historical objects have mostly focused on the minor constituents of the sample. This review presents recent advances in the qualitative and semi‐quantitative analyses of organic materials in heritage objects based on analytical pyrolysis coupled with mass spectrometry.
Silica‐Protection‐Assisted Encapsulation of Cu2O Nanocubes into a Metal–Organic Framework (ZIF‐8) To Provide a Composite Catalyst
Authors: Li Bo , Ma Jian‐Gong , Cheng Peng 
Published: March 2018

AbstractThe integration of metal/metal oxide nanoparticles (NPs) into metal–organic frameworks (MOFs) to form composite materials has attracted great interest due to the broad range of applications. However, to date, it has not been possible to encapsulate metastable NPs with high catalytic activity into MOFs, due to their instability during the preparation process. For the first time, we have successfully developed a template protection–sacrifice (TPS) method to encapsulate metastable NPs such as Cu2O into MOFs. SiO2 was used as both a protective shell for Cu2O nanocubes and a sacrificial template for forming a yolk–shell structure. The obtained Cu2O@ZIF‐8 composite exhibits excellent cycle stability in the catalytic hydrogenation of 4‐nitrophenol with high activity. This is the first report of a Cu2O@MOF‐type composite material. The TPS method provides an efficient strategy for encapsulating unstable active metal/metal oxide NPs into MOFs or maybe other porous materials.
Electrochemical characterization of laser‐carbonized polyacrylonitrile nanofiber nonwovens
Authors: Go Dennis , Opitz Martin , Lott Philipp , Rahimi Khosrow , Stollenwerk Jochen , Thomas Helga , Möller Martin , Roling Bernhard , Kuehne Alexander J. C. 
Published: March 2018

ABSTRACTPorous carbon materials represent prospective materials for absorbers, filters, and electronic applications. Carbon fibers with high surface areas can be produced from polyacrylonitrile and spun as thin fibers from solution. The resulting polymer fibers are first stabilized to obtain conjugated ribbons and then carbonized to graphitic structures in a second high‐temperature step in an inert atmosphere. In this study, we investigated a previously described fast laser‐heating process that delivered fibers with a higher crystallinity and surface area compared to the thermally carbonized fibers. In a subsequent KOH‐activation step, the crystalline domains were exfoliated, and the surface of the fibers became macroporous. This led to a reduced specific surface area but a higher capacitance compared to thermally carbonized nanofibers. We report the electrochemical properties of the electrochemical cells and discuss their potential applications. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46398.
A simple coordination strategy for preparing a complex hydrophobic association hydrogel
Authors: Liu Yudong , Li Zhiying , Niu Na , Zou Jiayun , Liu Fengqi 
Published: March 2018

ABSTRACTHydrophobic association hydrogels (HA gels) have been proven to be one of the most popular research interests in physically crosslinking hydrogels. Meanwhile, the association mode of hydrophobic monomers and the structure of the hydrophobic microdomain is crucial to their mechanical properties. In this study, we designed high‐performance complex HA gels by novel complex micelles and acrylamide without small‐molecule surfactants. The complex micelles were prepared by a simple complex of two polymerizable amphiphilic dodecanol polyoxyethylene (n) acrylate monomers (alcohol ethoxylate (n)‐acryloyl chloride, AEO‐3‐AC, AEO‐23‐AC). The coordination effect between these amphiphilic monomers with a large hydrophilic difference greatly improved the strength of the gels. The mechanical properties, including the breaking elongation ratio and tensile strength, could be easily adjusted through the variation of the complex ratio in a relatively broad range. The mechanical strength of the resulting hydrogels with composite micelles were improved almost 200% over those of the hydrogels having either AEO‐3–AC or AEO‐23–AC. Dynamic light scattering and transmission electron microscopy testing revealed the sizes and morphologies of the complex hydrogels and their composite micelles. The discovery of the coordination provides a new route for preparing high‐performance hydrogels. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46400.
Detection of metronidazole in honey and metronidazole tablets using carbon dots‐based sensor via the inner filter effect
Authors: Zhao Jianru , Pan Xiaohua , Sun Xiaobo , Pan Wei , Yu Guifeng , Wang Jinping 
Published: March 2018

AbstractIn this work, carbon dots (CDs) with a high quantum yield (22.3%) were easily prepared by hydrothermal pyrolysis of acid fuchsin 6B and hydrogen peroxide at 180°C for 10 h. The resultant CDs possess a narrow size distribution in the range of 2.6 to 3.2 nm and emit blue fluorescence. Interestingly, the absorption band of metronidazole (MTZ) centered at 318 nm can complementary overlap with the excitation band of the as‐prepared CDs centered at 320 nm, resulting in an inner filter effect (IFE) in high efficiency. In fact, the fluorescence quenching of the CDs depends on the concentration of MTZ. Therefore, a simple method for the detection of MTZ can be established using the CDs‐based sensor via the IFE. The linear range of the proposed method was 0–10 μg mL−1 with the limit of detection as low as 0.257 μg mL−1. This CDs‐based sensor had been applied for the detection of MTZ in honey and MTZ tablets with the recoveries in the range of 98.0% to 105.1% and 95.7% to 106.5%, respectively. Therefore, the as‐prepared CDs have a potential to be developed as a MTZ sensor with high selectivity, sensitivity and accuracy.
Tailor‐made computational protocols for precise characterization of small biological building blocks using QM and MM approaches
Authors: Chandramouli Balasubramanian , Del Galdo Sara , Mancini Giordano , Tasinato Nicola , Barone Vincenzo 
Published: March 2018

AbstractComputational modeling involving Quantum Mechanics (QM) and Molecular Mechanics (MM) calculations are widely utilized to unveil the atomic‐molecular properties that underpin their inherent characteristic features. The choice over the either of the QM and MM methods or a multiscale composite approach is driven by the target property of interest, and of course, the molecular size. Often, tailor‐made schemes need to be devised to match the specific study purpose. Herein, we provide a perspective of these approaches addressing their effectiveness in terms of the delicate balance between the accuracy and computational feasibility. We focus on representative examples to highlight how different approaches can be fruitfully exploited for modeling the conformational landscape, and possibly, the spectroscopic behavior of biochemical molecules, especially amino acids building blocks.
Impact of environmental knowledge and product quality on student attitude toward products with recycled/remanufactured content: Implications for environmental education and green manufacturing
Authors: Sun Hongyi , Teh Pei‐Lee , Linton Jonathan D. 
Published: March 2018

AbstractThis study investigates the impact of environmental knowledge and perceived product quality on purchasing intention and purchasing behavior of recycled products: A4 paper, mobile phones and printers. The intent is to understand how to move future generations toward more sustainable behavior, as currently unsustainable amounts of waste are generated across the Far East. Expectancy value theory and the theory of reasoned action are applied to the purchase of products with recovered and/or recycled content (n= 215). The study indicates: (1) a significant positive relationship was found between both theintention to purchaseand thepurchase of recycled products; (2) theperception of recycled product riskhas a significant negative impact on theperception of recycled product qualityand theattitude toward environmental protection; (3)perceived quality of recycled productis positively related toattitude toward environmental protection; (4)perceived quality of recycled productandattitude to environmental protectionare positively related tointention to purchase recycled products; and (5) surprisingly, knowledge regarding environmental damage and pollution is unrelated toattitude toward environmental protection. This study offers new insights into the impact of education on environmental protection, purchasing of greener products and the need for environmental education to move from a goal of understanding to that of action.
The role of primary lymph node sites in survival and mortality prediction in Hodgkin lymphoma: a SEER population‐based retrospective study
Authors: Ebied Amr , Thanh Huan Vuong , Makram Omar Mohamed , Sang To Kim , Ghorab Mohamed , Ngo Huyen Thi , Iraqi Ahmed , Kamel Mohamed Gomaa , Dang Tran Ngoc , Vuong Nguyen Lam , Hirayama Kenji , Huy Nguyen Tien 
Published: March 2018

AbstractAs diagnostic and therapeutic modalities for Hodgkin's Lymphoma (HL) continue to improve, patient‐related factors affecting survival become more difficult to identify. Very little is known about the relationship between the primary site of lymph node (LN) involvement and survival of HL patients. We retrospectively analyzed the United States Surveillance, Epidemiology and End Results (SEER) database for 12,658 HL patients reported between 1973 and 2010 using survival analysis and time‐interval multiple logistic regression (MLR) to disclose that relationship. The effect of all primary LN sites on the survival of HL patients was supported. The intra‐abdominal (IAB) primary LN site was significantly associated with the worst survival. The pelvic (P) LN sites were significantly and independently associated with nearly 2 times and 2.5 times the probability of having 1‐year overall mortality (OM) and 1‐year cancer‐specific mortality (CSM), respectively. Head, face and neck (HFN) primary LN sites were significant and independent predictors of better overall and HL‐specific survival. A worse survival with the intra‐abdominal primary LN site was probably related to their association with higher age, or advanced stages of HL. The biological basis behind the aggressiveness of intra‐abdominal and pelvic LN sites is yet to be investigated.
Antitumor effects of duvelisib on Epstein–Barr virus‐associated lymphoma cells
Authors: Kawada Jun‐ichi , Ando Shotaro , Torii Yuka , Watanabe Takahiro , Sato Yoshitaka , Ito Yoshinori , Kimura Hiroshi 
Published: March 2018

AbstractEpstein–Barr virus (EBV) is a ubiquitous oncogenic virus that is associated with B cell lymphomas, including Burkitt lymphoma and Hodgkin lymphoma. Previous studies have shown that the phosphatidylinositol 3‐kinase (PI3K)/Akt pathway is activated in EBV‐associated lymphomas and can be a novel therapeutic target. An oral dual inhibitor of PI3Kγ and PI3Kδ, duvelisib, is in clinical trials for the treatment of lymphoid malignancies. In this study, we evaluated how duvelisib affects the activity of the PI3K/Akt signaling pathway and if it has antitumor effects in EBV‐associated lymphoma cell lines. We found that the PI3K/Akt signaling pathway was activated in most of the B and T cell lymphoma cell lines tested. Additionally, duvelisib treatment inhibited cellular growth in the tested cell lines. Overall, B cell lines were more susceptible to duvelisib than T and NK cell lines in vitro regardless of EBV infection. However, the additional influence of duvelisib on the tumor microenvironment was not assessed. Duvelisib treatment induced both apoptosis and cell cycle arrest in EBV‐positive and ‐negative B cell lines, but not in T cell lines. Furthermore, duvelisib treatment reduced the expression of EBV lytic genes (BZLF1 and gp350/220) in EBV‐positive B cell lines, suggesting that duvelisib suppresses the lytic cycle of EBV induced by B cell receptor signaling. However, duvelisib did not induce a remarkable change in the expression of EBV latent genes. These results may indicate that there is therapeutic potential for duvelisib administration in the treatment of EBV‐associated B cell lymphomas and other B cell malignancies.
Gene panel testing of 5589 BRCA1/2‐negative index patients with breast cancer in a routine diagnostic setting: results of the German Consortium for Hereditary Breast and Ovarian Cancer
Authors: Hauke Jan , Horvath Judit , Groß Eva , Gehrig Andrea , Honisch Ellen , Hackmann Karl , Schmidt Gunnar , Arnold Norbert , Faust Ulrike , Sutter Christian , Hentschel Julia , Wang‐Gohrke Shan , Smogavec Mateja , Weber Bernhard H. F. , Weber‐Lassalle Nana , Weber‐Lassalle Konstantin , Borde Julika , Ernst Corinna , Altmüller Janine , Volk Alexander E. , Thiele Holger , Hübbel Verena , Nürnberg Peter , Keupp Katharina , Versmold Beatrix , Pohl Esther , Kubisch Christian , Grill Sabine , Paul Victoria , Herold Natalie , Lichey Nadine , Rhiem Kerstin , Ditsch Nina , Ruckert Christian , Wappenschmidt Barbara , Auber Bernd , Rump Andreas , Niederacher Dieter , Haaf Thomas , Ramser Juliane , Dworniczak Bernd , Engel Christoph , Meindl Alfons , Schmutzler Rita K. , Hahnen Eric 
Published: March 2018

AbstractThe prevalence of germ line mutations in non‐BRCA1/2 genes associated with hereditary breast cancer (BC) is low, and the role of some of these genes in BC predisposition and pathogenesis is conflicting. In this study, 5589 consecutive BC index patients negative for pathogenic BRCA1/2 mutations and 2189 female controls were screened for germ line mutations in eight cancer predisposition genes (ATM, CDH1, CHEK2, NBN, PALB2, RAD51C, RAD51D, and TP53). All patients met the inclusion criteria of the German Consortium for Hereditary Breast and Ovarian Cancer for germ line testing. The highest mutation prevalence was observed in the CHEK2 gene (2.5%), followed by ATM (1.5%) and PALB2 (1.2%). The mutation prevalence in each of the remaining genes was 0.3% or lower. Using Exome Aggregation Consortium control data, we confirm significant associations of heterozygous germ line mutations with BC for ATM (OR: 3.63, 95%CI: 2.67–4.94), CDH1 (OR: 17.04, 95%CI: 3.54–82), CHEK2 (OR: 2.93, 95%CI: 2.29–3.75), PALB2 (OR: 9.53, 95%CI: 6.25–14.51), and TP53 (OR: 7.30, 95%CI: 1.22–43.68). NBN germ line mutations were not significantly associated with BC risk (OR:1.39, 95%CI: 0.73–2.64). Due to their low mutation prevalence, the RAD51C and RAD51D genes require further investigation. Compared with control datasets, predicted damaging rare missense variants were significantly more prevalent in CHEK2 and TP53 in BC index patients. Compared with the overall sample, only TP53 mutation carriers show a significantly younger age at first BC diagnosis. We demonstrate a significant association of deleterious variants in the CHEK2, PALB2, and TP53 genes with bilateral BC. Both, ATM and CHEK2, were negatively associated with triple‐negative breast cancer (TNBC) and estrogen receptor (ER)‐negative tumor phenotypes. A particularly high CHEK2 mutation prevalence (5.2%) was observed in patients with human epidermal growth factor receptor 2 (HER2)‐positive tumors.
Long‐term clinical and quality of life outcomes after stenting of femoropopliteal artery stenosis: 3‐year results from the STROLL study
Authors: Bunte Matthew C. , Cohen David J. , Jaff Michael R. , Gray William A. , Magnuson Elizabeth A. , Li Haiyan , Feiring Andrew , Cioppi Marco , Hibbard Robert , Gray Bruce , Khatib Yazan , Jessup David , Patarca Roberto , Du Jing , Stoll Hans‐Peter , Massaro Joe , Safley David M. ,   STROLL Study Investigators
Published: March 2018

AbstractObjectivesTo evaluate the clinical and health status outcomes of patients undergoing superficial femoral artery (SFA) revascularization using the Shape Memory Alloy Recoverable Technology (S.M.A.R.T.®) nitinol self‐expanding stent through 3 years of follow‐up.BackgroundLimited long‐term data are available describing the durability of benefits after femoropopliteal revascularization.MethodsIn a multicenter, prospective, core‐lab adjudicated study, 250 subjects with de novo or restenotic femoropopliteal arterial lesions were treated with the S.M.A.R.T.® stent. The primary endpoint of target vessel patency, a composite of ultrasound‐assessed patency and freedom from clinically driven target lesion revascularization (TLR), was evaluated through 3 years. Secondary endpoints included stent fracture and health status. Health status was measured using generic and disease‐specific instruments, including the Peripheral Artery Questionnaire (PAQ).ResultsAt 3‐year follow‐up, Kaplan‐Meier estimated target vessel patency was 72.7%, freedom from clinically driven TLR was 78.5%, and the incidence of stent fracture was 3.6%. The PAQ summary score was markedly impaired at baseline (mean 37.3 ± 19.6 points) and improved substantially at 1 month (mean change from baseline of 31.4 points, 95% CI: 28.5‐34.3; P < 0.001). Disease‐specific health status benefits assessed by the PAQ were largely preserved through 3 years of follow‐up (mean change from baseline, 28.0 points, 95% CI: 24.3‐31.7; P < 0.0001).ConclusionsIn patients undergoing revascularization for moderately complex SFA disease, use of the self‐expanding S.M.A.R.T® stent was associated with a high rate of target vessel patency through 3 years and led to substantial and sustained health status benefits.
Density Functional Theory Simulations of Water Adsorption and Activation on the (−201) β‐Ga2O3 Surface
Authors: Anvari Roozbeh , Spagnoli Dino , Parish Giacinta , Nener Brett 
Published: March 2018

AbstractDensity functional theory calculations are used to study the molecular and dissociative adsorption of water on the (−201) β‐Ga2O3 surface. The effect of adsorption of different water‐like species on the geometry, binding energies, vibrational spectra and the electronic structure of the surface are discussed. The study shows that although the hydrogen evolution reaction requires a small amount of energy to become energetically favourable, the over potential for activating the oxygen evolution reaction is quite high. The results of our calculations provide insight as to why a high voltage is required in experiments to activate the water‐splitting reaction, whereas previous studies of gallium oxide predicted very low activation energies for other energetically more favourable facets. Application of this work to studies of GaN‐based chemical sensors with gallium oxide surfaces shows that it is possible to select the gate bias so that the sensors are not influenced by water‐splitting reactions. It was also found that in the region where water splitting does not occur, the surface can exist in two states, that is, water or hydroxyl terminated.
Dual‐Selective and Dual‐Enhanced SERS Nanoprobes Strategy for Circulating Hepatocellular Carcinoma Cells Detection
Authors: Pang Yuanfeng , Wang Chongwen , Xiao Rui , Sun Zhiwei 
Published: March 2018

AbstractThe detection of hepatocellular carcinoma (HCC) circulating tumor cells (CTCs) from a blood sample can be a very powerful noninvasive approach for the early detection and therapy of liver cancer. However, the extreme rarity of tumor cells in blood containing billions of other cells makes the capture and identification of CTCs with sufficient sensitivity and specificity a real challenge. Here, a magnetically assisted surface‐enhanced Raman scattering (SERS) biosensor for HCC CTC detection is reported for the first time. The biosensor consists of two basic elements: anti‐ASGPR antibody‐Fe3O4@Ag magnetic nanoparticles and anti‐GPC3 antibody‐Au@Ag@DTNB nanorods. According to the dual‐selectivity of the anti‐ASGPR and anti‐GPC3 antibodies and the dual‐enhancement SERS signal of the MNPs silver shell and the Au@Ag NRs SERS tags, a limit of detection of 1 cell mL−1 for HCC CTC in human peripheral blood samples with a linear relationship from 1 to 100 cells mL−1 can be obtained. The system shows good performance in real serum, which suggests it may be a promising tool for HCC clinical diagnosis.
Circularly polarized luminescence of helically assembled pyrene π‐stacks on RNA and DNA duplexes
Authors: Nakamura Mitsunobu , Ota Fuyuki , Takada Tadao , Akagi Kazuo , Yamana Kazushige 
Published: March 2018

AbstractIn this report, we describe the circularly polarized luminescence (CPL) of the RNA duplexes having one to four 2′‐O‐pyrene modified uridines (Upy) and the DNA duplexes having two, four, and six pyrene modified non‐nucleosidic linkers (Py). Both the pyrene π‐stack arrays formed on the RNA and DNA double helical structures exhibited pyrene excimer fluorescence. In the pyrene‐modified RNA systems, the RNA duplex having four Upys gives CPL emission with glum value of <0.01 at 480 nm. The structure of pyrene stacks on the RNA duplex may be rigidly regulated with increase in the Upy domains, which resulted in the CPL emission. In the DNA systems, the pyrene‐modified duplexes containing two and four Pys exhibited CPL emission with glum values of <0.001 at 505 nm. The pyrene π‐stack arrays presented here show CPL emission. However, the glum values are relatively small when compared with our previous system consisting of the pyrene‐zipper arrays on RNA.