bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and molecular interaction of tung oil‐based anionic waterborne polyurethane dispersion
Authors: Jiang Lei , Ren Zhiyong , Liu Wentao , Liu Hao , Zhu Chengshen 
Published: June 2020

AbstractIn the present work, four types of anionic waterborne polyurethane dispersions (APUD) based on polytetramethylene ether glycol (PTMG) and two aliphatic diisocyanates, dicyclohexylmethane diisocyanate (HMDI) or isophorone diisocyanate (IPDI), were prepared by polymerization methods which for the first time controlled the location (soft or hard segment) of hydroxylated tung oil (HTO) incorporation into the final APUD. The resulting HTO‐containing APUD polymers (HTO‐APUDs) with postpolymerization crosslinking capability were characterized using FTIR, DMA, AFM and water imbibition methods, and compared to model compounds synthesized to have the same parts of chemical structural linkages for band assignment. A common PUD sample, as well as polypropylene oxide (PPG) with molecular weight similar to HTO (Mn = 400), was used to replace it for preparing control samples to highlight the role of long branched chains and conjugated double bonds in HTO. Based on the analysis of multiple H‐bond interactions, the relationship of HTO location in the APUD polymer structure to the soft/hard segment compatibility and the diisocyanate structure was further studied. This work is expected to provide basic data for properties regulation in practical applications by adjusting the chain and phase structure, as well as the intermolecular interactions, in these APUDs.
Loosen control without losing control: Formalization and decentralization within commons‐based peer production
Authors: Rozas David , Huckle Steven 
Published: June 2020

AbstractThis study considers commons‐based peer production (CBPP) by examining the organizational processes of the free/libre open‐source software community, Drupal. It does so by exploring the sociotechnical systems that have emerged around both Drupal's development and its face‐to‐face communitarian events. There has been criticism of the simplistic nature of previous research into free software; this study addresses this by linking studies of CBPP with a qualitative study of Drupal's organizational processes. It focuses on the evolution of organizational structures, identifying the intertwined dynamics of formalization and decentralization, resulting in coexisting sociotechnical systems that vary in their degrees of organicity.
Grafting Molecular Cobalt‐oxo Cubane Catalyst on Polymeric Carbon Nitride for Efficient Photocatalytic Water Oxidation
Authors: Zhen Wenlong , Yuan Xu , Shi Xiangyan , Xue Can 
Published: June 2020

AbstractIn this work, we have successfully constructed a cobalt–oxo (CoIII4O4) cubane complex on polymeric carbon nitride (PCN) through pyridine linkage. The covalently grafted CoIII4O4 cubane units were uniformly distributed on the PCN surface. The product exhibited greatly enhanced photocatalytic activities for water oxidation under visible‐light irradiation. Further characterizations and spectroscopic analyses revealed that the grafted CoIII4O4 cubane units could effectively capture the photogenerated holes from excited PCN, lower the overpotential of oxygen evolution reaction (OER), and serve as efficient catalysts to promote the multi‐electron water oxidation process. This work provides new insight into the future development of efficient photocatalysts by grafting molecular catalysts for artificial photosynthesis.
CRISPR with a Happy Ending: Non‐Templated DNA Repair for Prokaryotic Genome Engineering
Authors: Finger‐Bou Max , Orsi Enrico , van der Oost John , Staals Raymond H. J. 
Published: June 2020

AbstractThe exploration of microbial metabolism is expected to support the development of a sustainable economy and tackle several problems related to the burdens of human consumption. Microorganisms have the potential to catalyze processes that are currently unavailable, unsustainable and/or inefficient. Their metabolism can be optimized and further expanded using tools like the clustered regularly interspaced short palindromic repeats and their associated proteins (CRISPR‐Cas) systems. These tools have revolutionized the field of biotechnology, as they greatly streamline the genetic engineering of organisms from all domains of life. CRISPR‐Cas and other nucleases mediate double‐strand DNA breaks, which must be repaired to prevent cell death. In prokaryotes, these breaks can be repaired through either homologous recombination, when a DNA repair template is available, or through template‐independent end joining, of which two major pathways are known. These end joining pathways depend on different sets of proteins and mediate DNA repair with different outcomes. Understanding these DNA repair pathways can be advantageous to steer the results of genome engineering experiments. In this review, we discuss different strategies for the genetic engineering of prokaryotes through either non‐homologous end joining (NHEJ) or alternative end joining (AEJ), both of which are independent of exogenous DNA repair templates.
Insights from 20 years of the Molecule of the Month
Authors: Goodsell David S. , Zardecki Christine , Berman Helen M. , Burley Stephen K. 
Published: June 2020

AbstractFor 20 years, Molecule of the Month articles have highlighted the functional stories of 3D structures found in the Protein Data Bank (PDB). The PDB is the primary archive of atomic structures of biological molecules, currently providing open access to more than 150,000 structures studied by researchers around the world. The wealth of knowledge embodied in this resource is remarkable, with structures that allow exploration of nearly any biomolecular topic, including the basic science of genetic mechanisms, mechanisms of photosynthesis and bioenergetics, and central biomedical topics like cancer therapy and the fight against infectious disease. The central motivation behind the Molecule of the Month is to provide a user‐friendly introduction to this rich body of data, charting a path for users to get started with finding and exploring the many available structures. The Molecule of the Month and related materials are updated regularly at the education portal PDB‐101 (http://pdb101.rcsb.org/), offering an ongoing resource for molecular biology educators and students around the world.
Evaluation of the safety and efficacy of the Cobra PzF NanoCoated coronary stent in routine, consecutive, prospective, and high‐risk patients: The e‐Cobra study
Authors: Maillard Luc , de Labriolle Axel , Brasselet Camille , Faurie Benjamin , Durel Nicolas , de Poli Fabien , Bosle Sébastien , Madiot Hend , Berland Jacques , Belle Loic 
Published: June 2020

AbstractBackgroundThe Cobra PzF coronary stent is cobalt chromium with flat thin struts, nano‐coated with Polyzene‐F that enhance rapid reendothelialization and reduce the risk of stent thrombosis and restenosis. It is designed to overcome shortfalls of BMS and DES in patients requiring short DAPT duration.AimsTo report procedural and 1‐year clinical outcomes following Cobra PzF stent implantation in routine practice PCI.Methodse‐Cobra registry is a multicenter prospective study to evaluate Cobra PzF stent in routine practice in patients deemed appropriate for short DAPT after PCI. The primary endpoint was MACE rate at 12 months (Cardiac death, MI, TLR). The secondary endpoint was definite stent thrombosis at 12 months.ResultsAmong 940 patients (72% men, 72.8 ± 13.4 years) with multiple co‐morbidities, 47% had acute coronary syndromes, and 62% were defined as high bleeding risk. A total of 1,229 lesions were treated with 1,314 stents. 36% of patients had lesion type B2 or C classification. Angiographic success was achieved in all cases. One‐year follow‐up was available for 97% of patients. The primary endpoint occurred in 9.0% of patients, including cardiac death 3.7%, MI 4.8%, and TLR 4.3%. Definite stent thrombosis occurred in six out of 915 (0.7%).ConclusionThe Cobra PzF stent was safe and effective in routine practice patients and seems feasible in situations when short DAPT or Mono Antiplatelet Therapy (MAPT) is needed. One‐year follow‐up was associated with satisfactory clinical outcomes and validate previously reported data.
Klebsiella pneumoniae invasive syndrome in a diabetic patient with gallbladder abscess
Authors: Zheng Shuhua , Florescu Samuel , Mendoza Mari 
Published: June 2020

AbstractThe mortality rates for Klebsiella pneumoniae invasive syndrome range from 4% to 11% with diabetes as a major risk factor. Early diagnosis of KPIS can decrease mortality rate with good outcomes due to sensitivity of K pneumoniae to antibiotics in KPIS.
Mixed connective tissue disease: Not always an obvious diagnosis
Authors: Rahmouni Safa , Maatallah Kaouther , Ferjani Hanene , Abid Leila , Kaffel Dhia , Hamdi Wafa 
Published: June 2020

AbstractMixed connective tissue disease (MCTD) is characterized by a mixture of clinical features. The initial presentation is often incomplete, and the features of MCTD usually develop as the disease evolves. We present a 37‐year‐old female patient with overlapping symptoms. The most plausible diagnosis was MCTD.
Supramolecular Assembly of TPE‐Based Glycoclusters with Dicyanomethylene‐4H‐pyran (DM) Fluorescent Probes Improve Their Properties for Peroxynitrite Sensing and Cell Imaging
Authors: Dong Lei , Fu Mengqi , Liu Lifang , Han Hai‐Hao , Zang Yi , Chen Guo‐Rong , Li Jia , He Xiao‐Peng , Vidal Sébastien 
Published: June 2020

AbstractTwo red‐emitting dicyanomethylene‐4H‐pyran (DM) based fluorescent probes were designed and used for peroxynitrite (ONOO−) detection. Nevertheless, the aggregation‐caused quenching effect diminished the fluorescence and restricted their further applications. To overcome this problem, tetraphenylethylene (TPE) based glycoclusters were used to self‐assemble with these DM probes to obtain supramolecular water‐soluble glyco‐dots. This self‐assembly strategy enhanced the fluorescence intensity, leading to an enhanced selectivity and activity of the resulting glyco‐dot comparing to DM probes alone in PBS buffer. The glyco‐dots also exhibited better results during fluorescence sensing of intracellular ONOO− than the probes alone, thereby offering scope for the development of other similar supramolecular glyco‐systems for chemical biological studies.
Enhancing DPCD in Liquid Products by Mechanical Inactivation Effects: Assessment of Feasibility
Authors: Hoferick Ratka , Gockel Frank , Müller Mareike , Schönherr Holger , Barbe Stéphan 
Published: June 2020

AbstractThe enhancement of standard dense phase carbon dioxide (DPCD) pasteurization by additional mechanical effects was assessed in this work. These effects were induced during pasteurization by the sudden depressurization in a narrow minitube. The high flow velocities, moderate pressures (40–80 bar) and low temperatures (25–45 °C) lead to intense degasification and shear stress. The inactivation of the test microorganism Escherichia coli DH5α (E. coli DH5α) was determined before and after depressurization in the minitube, representing entirely chemical DPCD via dissolved CO2 and total inactivation comprising the effects of dissolved CO2 and mechanical effects, respectively. Compared to conventional DPCD pasteurization, which is mostly attributed to chemical effects, the additional mechanical effects increased the inactivation efficiency considerably.
Real‐world use of nonvitamin K antagonist oral anticoagulant in atrial fibrillation patients with liver disease: A meta‐analysis
Authors: Dai Qixin , Deng Xiaohong , Zhou Lin , Zhang Long , Xiao Xiulin , Liao Yonghui 
Published: June 2020

AbstractSeveral studies have investigated the effectiveness and safety of nonvitamin K antagonist oral anticoagulants (NOACs) vs vitamin K antagonists (VKAs) in patients with atrial fibrillation (AF) and liver disease. Herein, we conducted a meta‐analysis to compare the effect of NOACs with VKAs in patients with AF and liver disease. We also conducted a subsidiary analysis to compare the risk of liver injury between NOACs and VKA in AF patients. We systematically searched the PubMed and Embase databases from January 2009 to May 2020 for the relevant studies. Hazard ratios (HRs) with 95% confidence intervals (CIs) were selected and pooled using a random‐effects model. A total of six cohorts were included. Compared with VKA use, the use of NOACs was associated with reduced risks of stroke or systemic embolism (HR 0.68, 95% CI 0.49‐0.93), all‐cause death (HR 0.69, 95% CI 0.63‐0.75), and intracranial bleeding (HR 0.49, 95% CI 0.40‐0.59), whereas the outcomes of major bleeding (HR 0.72, 95% CI 0.51‐1.01) and gastrointestinal bleeding (HR 0.84, 95% CI 0.51‐1.36) were not significantly different between groups in AF patients with liver disease. Moreover, compared with VKA use, the use of NOACs was associated with a reduced risk of liver injury (HR 0.72, 95% CI 0.61‐0.84) in AF patients. Compared with VKAs, the use of NOACs was associated with reduced risks of stroke or systemic embolism, all‐cause death, and intracranial bleeding in AF patients with liver disease, and associated with a reduced risk of liver injury in AF patients.
A Primary Evaluation of Potential Small‐Molecule Inhibitors of the Astacin Metalloproteinase Ovastacin, a Novel Drug Target in Female Infertility Treatment
Authors: Körschgen Hagen , Jäger Christian , Tan Kathrin , Buchholz Mirko , Stöcker Walter , Ramsbeck Daniel 
Published: June 2020

AbstractDespite huge progress in hormonal therapy and improved in vitro fertilization methods, the success rates in infertility treatment are still limited. A recently discovered mechanism revealed the interplay between the plasma protein fetuin‐B and the cortical granule‐based proteinase ovastacin to be a novel key mechanism in the regulation of fertilization. Upon sperm–egg fusion, cleavage of a distinct zona pellucida component by ovastacin destroys the sperm receptor, enhances zona robustness, and eventually provides a definitive block against polyspermy. An untimely onset of this zona hardening prior to fertilization would consequently result in infertility. Physiologically, this process is controlled by fetuin‐B, an endogenous ovastacin inhibitor. Here we aimed to discover small‐molecule inhibitors of ovastacin that could mimic the effect of fetuin‐B. These compounds could be useful lead structures for the development of specific ovastacin inhibitors that can be used in infertility treatment or in vitro fertilization
Exploring Proprotein Convertase Subtilisin/Kexin 9 (PCSK9) Autoproteolysis Process by Molecular Simulations: Hints for Drug Design
Authors: Sgrignani Jacopo , Fassi Enrico M. A. , Lammi Carmen , Roda Gabriella , Grazioso Giovanni 
Published: June 2020

AbstractProprotein convertase subtilisin/kexin 9 (PCSK9) is a notable target for the treatment of hypercholesterolemia because it regulates the population of the low‐density lipoprotein receptor (LDLR) on liver cells. The PCSK9 zymogen is a serine protease that spontaneously undergoes a double self‐cleavage step. Available X‐ray structures depict the PCSK9 mature state, but the atomic details of the zymogen state of the enzyme are still unknown. Additionally, why the protease activity of PCSK9 is blocked after the second autoprocessing step remains unclear, as this deviates from other members of the PCSK family. By performing constant‐pH molecular dynamics (MD) simulations, we investigated the protonation state of the catalytic triad of PCSK9 and found that it strongly influences the catalytic properties of the enzyme. Moreover, we determined the final step of the maturation process by classical and steered MD simulations. This study could facilitate the identification of ligands capable of interfering with the PCSK9 maturation process.
Effect of renal function on neutrophil decreases following eribulin administration
Authors: Suzuki Norifumi , Tanaka Hiroyuki , Murakami Hirotoshi , Tomioka Nobumoto , Watanabe Kenichi , Endo Masayuki , Takahashi Masato 
Published: June 2020

AbstractBackgroundEribulin therapy has recently attracted attention from various viewpoints, including quality of life, and is considered a standard therapy for inoperable or recurrent breast cancer. Although a reduction in renal function reportedly decreases total eribulin clearance, its association with dose‐limiting toxicity and the reduction of neutrophils remain unclear.AimThis study was aimed at analyzing the association between decreased renal function prior to eribulin administration and the occurrence of neutrophil reduction and time to treatment failure in patients with breast cancer.Methods and ResultsWe retrospectively assessed patients with breast cancer, who underwent eribulin therapy between July 2011 and March 2018. Multivariate analysis revealed creatinine clearance <70 mL/min and serum albumin levels <3.9 mg/dL as predictive factors for neutrophil reduction. Even on increasing the relative dose intensity by these factors, no difference in time to treatment failure was observed, suggesting that treatment efficacy is potentially unaffected.ConclusionsFor continuous eribulin therapy, eribulin may need to be administered to individual patients in accordance with renal function and albumin levels before treatment initiation.
A High‐Performing Metal‐Free Photoactivatable Nitric Oxide Donor with a Green Fluorescent Reporter
Authors: Parisi Cristina , Seggio Mimimorena , Fraix Aurore , Sortino Salvatore 
Published: June 2020

AbstractAbstract: We report herein a novel nitric oxide (NO) donor activatable by visible blue light with an in‐built green fluorescence reporter. This NO photodonor, based on the amino‐nitro‐benzofurazan chromogenic skeleton, releases NO in solution with a quantum yield ΦNO=0.15 which increases up to 0.80 in Pluronic® micelles, the largest values ever reported for nonmetal‐containing NO donors activatable by visible light. Besides, the large contrast between the fluorescence emission of the chromogenic moiety after and before the NO release (>10) permits the easy and in real‐time quantification of the amount of NO released, without the addition of external fluorescent probes. This NO photodonor can also be effectively entrapped in a Pluronic‐based thermoresponsive hydrogel with excellent preservation of its photochemical and photophysical behaviour. These properties, together with the facile synthetic procedure, make the present compound an intriguing candidate for fundamental and potential applicative research studies where spatiotemporally regulated NO delivery is required.
Behavioral constraints on local adaptation and counter‐gradient variation: Implications for climate change
Authors: Quinby Brandon M. , Belk Mark C. , Creighton J. Curtis 
Published: June 2020

AbstractResource allocation to growth, reproduction, and body maintenance varies within species along latitudinal gradients. Two hypotheses explaining this variation are local adaptation and counter‐gradient variation. The local adaptation hypothesis proposes that populations are adapted to local environmental conditions and are therefore less adapted to environmental conditions at other locations. The counter‐gradient variation hypothesis proposes that one population out performs others across an environmental gradient because its source location has greater selective pressure than other locations. Our study had two goals. First, we tested the local adaptation and counter‐gradient variation hypotheses by measuring effects of environmental temperature on phenotypic expression of reproductive traits in the burying beetle, Nicrophorus orbicollis Say, from three populations along a latitudinal gradient in a common garden experimental design. Second, we compared patterns of variation to evaluate whether traits covary or whether local adaptation of traits precludes adaptive responses by others. Across a latitudinal range, N. orbicollis exhibits variation in initiating reproduction and brood sizes. Consistent with local adaptation: (a) beetles were less likely to initiate breeding at extreme temperatures, especially when that temperature represents their source range; (b) once beetles initiate reproduction, source populations produce relatively larger broods at temperatures consistent with their local environment. Consistent with counter‐gradient variation, lower latitude populations were more successful at producing offspring at lower temperatures. We found no evidence for adaptive variation in other adult or offspring performance traits. This suite of traits does not appear to coevolve along the latitudinal gradient. Rather, response to selection to breed within a narrow temperature range may preclude selection on other traits. Our study highlights that N. orbicollis uses temperature as an environmental cue to determine whether to initiate reproduction, providing insight into how behavior is modified to avoid costly reproductive attempts. Furthermore, our results suggest a temperature constraint that shapes reproductive behavior.
Mobility costs and energy uptake mediate the effects of morphological traits on species' distribution and abundance
Authors: Pinkert Stefan , Friess Nicolas , Zeuss Dirk , Gossner Martin M. , Brandl Roland , Brunzel Stefan 
Published: June 2020

AbstractIndividuals of large or dark‐colored ectothermic species often have a higher reproduction and activity than small or light‐colored ones. However, investments into body size or darker colors should negatively affect the fitness of individuals as they increase their growth and maintenance costs. Thus, it is unlikely that morphological traits directly affect species’ distribution and abundance. Yet, this simplification is frequently made in trait‐based ecological analyses. Here, we integrated the energy allocation strategies of species into an ecophysiological framework to explore the mechanisms that link species’ morphological traits and population dynamics. We hypothesized that the effects of morphological traits on species’ distribution and abundance are not direct but mediated by components of the energy budget and that species can allocate more energy towards dispersal and reproduction if they compensate their energetic costs by reducing mobility costs or increasing energy uptake. To classify species’ energy allocation strategies, we used easily measured proxies for the mobility costs and energy uptake of butterflies that can be also applied to other taxa. We demonstrated that contrasting effects of morphological traits on distribution and abundance of butterfly species offset each other when species’ energy allocation strategies are not taken into account. Larger and darker butterfly species had wider distributions and were more abundant if they compensated the investment into body size and color darkness (i.e., melanin) by reducing their mobility costs or increasing energy uptake. Adults of darker species were more mobile and foraged less compared to lighter colored ones, if an investment into melanin was indirectly compensated via a size‐dependent reduction of mobility costs or increase of energy uptake. Our results indicate that differences in the energy allocations strategies of species account for a considerable part of the variation in species’ distribution and abundance that is left unexplained by morphological traits alone and ignoring these differences can lead to false mechanistic conclusions. Therefore, our findings highlight the potential of integrating proxies for species’ energy allocation strategies into trait‐based models not only for understanding the physiological mechanisms underlying variation in species’ distribution and abundance, but also for improving predictions of the population dynamics of species.