bluuebunny/crossref_metadata_2025_split huggingface dataset:
Diterpene Biosynthesis in Catenulispora acidiphila: On the Mechanism of Catenul‐14‐en‐6‐ol Synthase
Authors: Li Geng , Guo Yue‐Wei , Dickschat Jeroen S. 
Published: November 2020

AbstractA new diterpene synthase from the actinomycete Catenulispora acidiphila was identified and the structures of its products were elucidated, including the absolute configurations by an enantioselective deuteration approach. The mechanism of the cationic terpene cyclisation cascade was deeply studied through the use of isotopically labelled substrates and of substrate analogues with partially blocked reactivity, resulting in derailment products that gave further insights into the intermediates along the cascade. Their chemistry was studied, leading to the biomimetic synthesis of a diterpenoid analogue of a brominated sesquiterpene known from the red seaweed Laurencia microcladia.
Identification of perineural cysts during ultrasound‐guided caudal anaesthesia
Authors: Maniar A. , Upadhye V. , Sai Prasad T. R. 
Published: November 2020

SummaryAn 8‐year‐old boy was scheduled for urethral fistula correction under general anaesthesia with an ultrasound‐guided caudal block. During scanning of the caudal area, we noticed two cystic structures in the caudal space in the region of the intended needle endpoint so we decided against performing the caudal block. Surgery was conducted uneventfully and a penile block was administered as an alternative for analgesia postoperatively. Radiological evaluation of the child 3 weeks later revealed the presence of perineural cysts in the sacral region. Routine use of ultrasound for caudal anaesthesia procedures may reveal unexpected anomalies in the sacral area, which could have implications for optimal patient management.
Effects of in‐situ reactive phenolic resin on shape memory performance of polynorbornene
Authors: Gong Xiaowen , Yin Hao , Zhang Maolin , Lin Zhengwei , Shi Xinyan 
Published: November 2020

AbstractIn this paper, resorcinol prepolymer (HT1005) in‐situ reacted with hexamethoxymethyl melamine (HMMM, formaldehyde donor) to produce cured phenolic resin to modify polynorbornene (PNB) as a shape memory polymer (SMP). A moving die rheometer (MDR) was used to characterize the crosslinking degree of phenolic resin. Fourier transform infrared spectroscopy, differential scanning calorimeter, universal electronic tensile testing machine, dynamic mechanical analysis and X‐ray diffraction was used to investigated the mechanical properties and shape memory performance of PNB composites. Infrared results showed that HT1005 reacted with HMMM forming a chemical cross‐linking network in PNB. With the increase of HT1005 and HMMM, the phenolic resin network was gradually improved. When stress was applied to the composite, the phenolic resin rigid network first beared part of the external force, which improved the mechanical properties of the composite. When the content of HT1005 was too much, its dispersibility will become poor, and the rigid phenolic resin network will be too dense, which limited the recovery of PNB molecular chains. A small amount of HT1005 will be more uniformly dispersed in the PNB, the strength of the phenolic resin network was moderate, and the composite material had excellent shape memory and mechanical properties.
Interfacial region of poly(n‐butyl acrylate)/silicon oxide
Authors: Matsuura Kazuki , Kuboyama Keiichi , Ougizawa Toshiaki 
Published: November 2020

AbstractPoly(n‐butyl acrylate) (PnBA) and silica nanoparticle composites were cast from toluene solutions and investigated via differential scanning calorimetry (DSC), Fourier‐transform infrared spectroscopy (FT‐IR), and X‐ray diffraction (XRD) analysis. The results suggested that the composites contained amorphous bulk and interfacial regions. The mobility of side chains at the interfaces between PnBA and the silica nanoparticles differed from the mobility of side chains in bulk PnBA. FT‐IR analysis showed that the difference in mobility was due to interactions between the carbonyl groups in PnBA and the silica surfaces. These results indicated that PnBA main chains near interfaces with silicon oxide were separated by a smaller distance than main chains in the bulk polymer.
Synthesis of novel cyanine dyes as antitumor agents
Authors: Fadda Ahmed A. , Tawfik Eman H. , Abdel‐Motaal Marwa , Selim Yasser A. 
Published: November 2020

AbstractIn this study, some novel cyanine dyes, 1, 3, and 5−15, were synthesized by a one‐pot step reaction of pyridinium salts 2 and/or 4 with benzenaminium salt 1. N‐{[1‐Chloro‐3,4‐dihydronaphthalen‐2‐yl)methylene]benzenaminium} chloride 1 was obtained by the reaction of α‐tetralone with Vilsmeier−Haack reagent, followed by a mixture of an equimolar ratio of anilin/ethanol (1:1). All new cyanine dyes were evaluated in vitro for their anticancer activity against two cell lines, that is, HepG2 (human hepatocellular liver carcinoma) and MCF‐7 (breast cancer). The obtained results were compared with human lung fibroblasts (WI‐38) and Vero cells (derived from the kidney of an African green monkey) as normal cells. In particular, some of these compounds, 6, 9, 13, and 14, were found to be the most potent derivatives against all the cancer cell lines, without effect on the normal cells. According to the structure–activity relationship, compound 13 (IC50 = 8.8 µg/ml) exhibited a higher activity against HepG2 cells, as it contains the azo group and two phenyl rings and due to the presence of the π‐conjugated system attached to the two pyridine rings. Compound 6 (IC50 = 8 µg/ml) exhibited a higher activity against MCF‐7 cells, as it contains two chlorine atoms and the π‐conjugated system of the pyridine rings.
Bayesian piecewise stochastic frontier model to estimate initial public offering pricing efficiency under issuance policy reforms
Authors: Jin Shijie , Wang Xinyu , Wang Zhuqing , Xu Yan 
Published: November 2020

AbstractPrevious studies measure the pricing efficiency of initial public offerings (IPOs) using stochastic frontier analysis, but it is conventionally assumed that all IPOs have the same stochastic frontier function. We study how to measure IPO pricing efficiency under successional issuance policy reforms such as China's Growth Enterprise Market (GEM), where IPOs issued in different time periods might have their own pricing frontiers. In this article, we propose a stochastic frontier model with multiple change points in the time dimension based on the piecewise stochastic frontier function and develop a Bayesian inference and Markov Chain Monte Carlo sampling approach to estimate parameters. An empirical analysis finds two significant structural breaks in the frontier function for China's GEM from October 30, 2009, to January 9, 2018. China's developed provinces have more listed companies but lower average pricing efficiency. After 2012, the average IPO efficiency in public utilities dropped from the first place to the end, but the average IPO efficiency in the conglomerates rosed from the last to the first. Furthermore, a cross‐efficiency analysis proves that gradual market‐oriented issuance mechanism reforms have improved IPO pricing ability.
Magnetic Powdered Activated Carbon: A Promising Adsorbent for Water Treatment?
Authors: Lompe Kim Maren , Menard David , Barbeau Benoit 
Published: November 2020

Key TakeawaysWhile researchers have been proposing magnetic powdered activated carbon (MPAC) for more than a decade, these materials are not yet commercially available in North America (though they are in Japan).MPAC combines two important characteristics: efficient separation from water using a magnetic field and good adsorption properties for organic micropollutants.The slightly higher costs of MPAC can be offset by its separability and reusability. Easy recirculation of PAC would allow working at high enough PAC age to colonize it with heterotrophic and nitrifying bacteria.Magnetic separation of MPAC requires the use of high‐gradient magnetic separators, which might limit the adsorbent's application to low‐flow systems.
Ionic Conductivity of Na3V2P3O12 as a Function of Electrochemical Potential and its Impact on Battery Performance
Authors: Lan Tu , Ma Qianli , Tsai Chih‐Long , Tietz Frank , Guillon Olivier 
Published: November 2020

AbstractNa3V2(PO4)3 (NVP) is a promising electrode material for sodium‐ion batteries. However, many of its electrochemical properties like ionic conductivities have never been systematically studied. In the present paper, a battery cell with controlled morphology of NVP was prepared and the electrochemical impedance spectra were measured at various voltages. The ionic conductivity of NVP was calculated in dependence on applied potentials. NVP has a total conductivity of 1×10−6 S cm−1 at 2.9 V, which decreases to 8×10−8 S cm−1 at 3.5 V. This low conductivity, especially at higher voltages, influences the performance of batteries with an NVP electrode, especially by limiting the high‐rate cycling of solid‐state batteries.
The changing chromatome as a driver of disease: A panoramic view from different methodologies
Authors: Espejo Isabel , Di Croce Luciano , Aranda Sergi 
Published: November 2020

AbstractChromatin‐bound proteins underlie several fundamental cellular functions, such as control of gene expression and the faithful transmission of genetic and epigenetic information. Components of the chromatin proteome (the “chromatome”) are essential in human life, and mutations in chromatin‐bound proteins are frequently drivers of human diseases, such as cancer. Proteomic characterization of chromatin and de novo identification of chromatin interactors could, thus, reveal important and perhaps unexpected players implicated in human physiology and disease. Recently, intensive research efforts have focused on developing strategies to characterize the chromatome composition. In this review, we provide an overview of the dynamic composition of the chromatome, highlight the importance of its alterations as a driving force in human disease (and particularly in cancer), and discuss the different approaches to systematically characterize the chromatin‐bound proteome in a global manner.
In situ detection of protein interactions for recombinant therapeutic enzymes
Authors: Samoudi Mojtaba , Kuo Chih‐Chung , Robinson Caressa M. , Shams‐Ud‐Doha Km , Schinn Song‐Min , Kol Stefan , Weiss Linus , Petersen Bjorn Sara , Voldborg Bjorn G. , Rosa Campos Alexandre , Lewis Nathan E. 
Published: November 2020

AbstractDespite their therapeutic potential, many protein drugs remain inaccessible to patients since they are difficult to secrete. Each recombinant protein has unique physicochemical properties and requires different machinery for proper folding, assembly, and posttranslational modifications (PTMs). Here we aimed to identify the machinery supporting recombinant protein secretion by measuring the protein–protein interaction (PPI) networks of four different recombinant proteins (SERPINA1, SERPINC1, SERPING1, and SeAP) with various PTMs and structural motifs using the proximity‐dependent biotin identification (BioID) method. We identified PPIs associated with specific features of the secreted proteins using a Bayesian statistical model and found proteins involved in protein folding, disulfide bond formation, and N‐glycosylation were positively correlated with the corresponding features of the four model proteins. Among others, oxidative folding enzymes showed the strongest association with disulfide bond formation, supporting their critical roles in proper folding and maintaining the ER stability. Knockdown of disulfide‐isomerase PDIA4, a measured interactor with significance for SERPINC1 but not SERPINA1, led to the decreased secretion of SERPINC1, which relies on its extensive disulfide bonds, compared to SERPINA1, which has no disulfide bonds. Proximity‐dependent labeling successfully identified the transient interactions supporting synthesis of secreted recombinant proteins and refined our understanding of key molecular mechanisms of the secretory pathway during recombinant protein production.
Universal law for diffusive mass transport through mycelial networks
Authors: Schmideder Stefan , Müller Henri , Barthel Lars , Friedrich Tiaan , Niessen Ludwig , Meyer Vera , Briesen Heiko 
Published: November 2020

AbstractFilamentous fungal cell factories play a pivotal role in biotechnology and circular economy. Hyphal growth and macroscopic morphology are critical for product titers; however, these are difficult to control and predict. Usually pellets, which are dense networks of branched hyphae, are formed during industrial cultivations. They are nutrient‐ and oxygen‐depleted in their core due to limited diffusive mass transport, which compromises productivity of bioprocesses. Here, we demonstrate that a generalized law for diffusive mass transport exists for filamentous fungal pellets. Diffusion computations were conducted based on three‐dimensional X‐ray microtomography measurements of 66 pellets originating from four industrially exploited filamentous fungi and based on 3125 Monte Carlo simulated pellets. Our data show that the diffusion hindrance factor follows a scaling law with respect to the solid hyphal fraction. This law can be harnessed to predict diffusion of nutrients, oxygen, and secreted metabolites in any filamentous pellets and will thus advance the rational design of pellet morphologies on genetic and process levels.
Using microalgae for remediation of crude petroleum oil–water emulsions
Authors: Kuttiyathil Mohamed S. , Mohamed Mohamed M. , Al‐Zuhair Sulaiman 
Published: November 2020

AbstractCrude petroleum oil spills are among the most important organic contaminations. While the separated oils accumulated on the surface water are relatively easily removed, the emulsified portions are more difficult to remove and pose significant threats to the environment. Bioremediation using bacteria has proven to be an effective method, but the biomass produced in this case does not have any significant remunerative value. In this work, microalgae were proposed to combine emulsified oil remediation process with the potential of microalgae as a biofuel feedstock, thus enhancing the economic and environmental benefits of the process. A freshwater strain of Chlorella vulgaris was grown in water containing different concentrations of emulsified crude oil at different temperatures. The specific growth rate (μmax) of the microalgae for each initial oil concentration was determined and was found to increase with the increase in initial oil concentration. For example, at 30°C, the specific growth rate, μ increased from 0.477 to 0.784 per day as the oil concentration increased from 57 to 222 mg/L. At 30°C, the effect of substrate concentration agreed with that of the microalgae growth, whereas at 40°C, the drop in oil concentration decreased with the increase in concentration. The results were fitted to a modified Monod kinetics model that used specific interfacial area as the influential substrate instead of the actual concentration. The results of this study clearly show the potential of using microalgae for emulsified oil remediation at relatively high concentrations.
RICK regulates the odontogenic differentiation of dental pulp stem cells through activation of TNF‐α via the ERK and not through NF‐κB signaling pathway
Authors: Zhang Ye , Lian Min , Zhao Xin , Cao Peipei , Xiao Jingwen , Shen Shuling , Tang Wanxian , Zhang Jiaxuan , Hao Jie , Feng Xingmei 
Published: November 2020

AbstractDental pulp stem cells (DPSCs) are capable of both self‐renewal and multilineage differentiation, which play a positive role in dentinogenesis. Studies have shown that tumor necrosis factor‐α (TNF‐α) is involved in the differentiation of DPSCs under pro‐inflammatory stimuli, but the mechanism of action of TNF‐α is unknown. Rip‐like interacting caspase‐like apoptosis‐regulatory protein kinase (RICK) is a biomarker of an early inflammatory response that plays a key role in modulating cell differentiation, but the role of RICK in DPSCs is still unclear. In this study, we identified that RICK regulates TNF‐α‐mediated odontogenic differentiation of DPSCs via the ERK signaling pathway. The expression of the biomarkers of odontogenic differentiation dental matrix protein‐1 (DMP‐1), dentin sialophosphoprotein (DSPP), biomarkers of odontogenic differentiation, increased in low concentration (1–10 ng/ml) of TNF‐α and decreased in high concentration (50–100 ng/ml). Odontogenic differentiation increased over time in the odontogenic differentiation medium. In the presence of 10 ng/L TNF‐α, the expression of RICK increased gradually over time, along with odontogenic differentiation. Genetic silencing of RICK expression reduced the expression of odontogenic markers DMP‐1 and DSPP. The ERK, but not the NF‐κB signaling pathway, was activated during the odontogenic differentiation of DPSCs. ERK signaling modulators decreased when RICK expression was inhibited. PD98059, an ERK inhibitor, blocked the odontogenic differentiation of DPSCs induced by TNF‐α. These results provide a further theoretical and experimental basis for the potential use of RICK in targeted therapy for dentin regeneration.
Carbon‐based materials for all‐solid‐state zinc–air batteries
Authors: Yang Dan , Chen Dong , Jiang Yu , Ang Edison Huixiang , Feng Yuezhan , Rui Xianhong , Yu Yan 
Published: November 2020

AbstractSolid‐state Zn–air batteries (ZABs) hold great potential for application in wearable and flexible electronics. However, further commercialization of current ZABs is still limited by the poor stability and low energy efficiency. It is, thus, crucial to develop efficient catalysts as well as optimize the solid electrolyte system to unveil potential of the ZAB technology. Due to the low cost and versatility in tailoring the structures and properties, carbon materials have been extensively used as the conductive substrates, catalytic air electrodes, and important components in the electrolytes for the solid‐state ZABs. Within this context, we discuss the challenges facing current solid‐state ZABs and summarize the strategies developed to modify properties of carbon‐based electrodes and electrolytes. We highlight the metal−organic framework/covalent organic framework‐based electrodes, heteroatom‐doped carbon, and the composites formed of carbon with metal oxides/sulfides/phosphides. We also briefly discuss the progress of graphene oxide‐based solid electrolyte.
Construction of Hyaluronic Acid‐Covered Hierarchically Porous MIL‐nanoMOF for Loading and Controlled Release of Doxorubicin
Authors: Yao Yi‐Ran , Jin Ya‐Jun , Jia Xin , Yang Yang 
Published: November 2020

AbstractThe porous nano‐sized metal–organic framework (nanoMOF) and its proper surface modification could greatly promote the drug loading capability and introduce biocompatibility, biodegradability, and targeting functions into nano‐drug delivery systems. Herein, the HACD@ADA‐PA/MIL‐101_NH2 (Fe)‐P nanoparticle was successfully fabricated through supramolecular and coordination interactions from three building blocks, including hierarchically porous MIL‐101_NH2 (Fe)‐P nanoMOF, phosphite‐modified adamantane (ADA‐PA), and β‐cyclodextrin (β‐CD)‐modified hyaluronic acid (HACD). The obtained HACD@ADA‐PA/MIL‐101_NH2 (Fe)‐P nanoparticle was nano‐sized and highly stable in physiological fluids. The porous structure of HACD@ADA‐PA/MIL‐101_NH2 (Fe)‐P nanoparticle could effectively load the commercial chemotherapeutic drug doxorubicin (DOX) with an encapsulation rate of 41.20 % and a loading rate of 48.84 %. The obtained drug‐loaded HACD@ADA‐PA/MIL‐101_NH2 (Fe)‐P@DOX nanoparticle was pH‐sensitive and relatively stable at neutral condition (pH 7.2) but could release DOX in a controlled way in subacid solution at pH 5.7. The simulated in vitro DOX release experiment signified that the HACD@ADA‐PA/MIL‐101_NH2 (Fe)‐P@DOX nanoparticle could realize the controlled release of DOX in tumor issues.
Bifunctional Hydrogen Bond Donor‐Catalyzed Diels–Alder Reactions: Origin of Stereoselectivity and Rate Enhancement
Authors: Vermeeren Pascal , Hamlin Trevor A. , Bickelhaupt F. Matthias , Fernández Israel 
Published: November 2020

AbstractThe selectivity and rate enhancement of bifunctional hydrogen bond donor‐catalyzed Diels–Alder reactions between cyclopentadiene and acrolein were quantum chemically studied using density functional theory in combination with coupled‐cluster theory. (Thio)ureas render the studied Diels–Alder cycloaddition reactions exo selective and induce a significant acceleration of this process by lowering the reaction barrier by up to 7 kcal mol−1. Our activation strain and Kohn–Sham molecular orbital analyses uncover that these organocatalysts enhance the Diels–Alder reactivity by reducing the Pauli repulsion between the closed‐shell filled π‐orbitals of the diene and dienophile, by polarizing the π‐orbitals away from the reactive center and not by making the orbital interactions between the reactants stronger. In addition, we establish that the unprecedented exo selectivity of the hydrogen bond donor‐catalyzed Diels–Alder reactions is directly related to the larger degree of asynchronicity along this reaction pathway, which is manifested in a relief of destabilizing activation strain and Pauli repulsion.
Association of psychosocial factors with all‐cause hospitalizations in patients with atrial fibrillation
Authors: Meyre Pascal B. , Springer Anne , Aeschbacher Stefanie , Blum Steffen , Rodondi Nicolas , Beer Juerg H. , Di Valentino Marcello , Ammann Peter , Blum Manuel , Mathys Rebecca , Meyer‐Zürn Christine , Bonati Leo H. , Sticherling Christian , Schwenkglenks Matthias , Kühne Michael , Conen David , Osswald Stefan ,   Swiss‐AF investigators
Published: November 2020

AbstractBackgroundA high burden of cardiovascular comorbidities puts patients with atrial fibrillation (AF) at high risk for hospitalizations, but the role of other factors is less clear.HypothesisTo determine the relationship between psychosocial factors and the risk of unplanned hospitalizations in AF patients.MethodsProspective observational cohort study of 2378 patients aged 65 or older with previously diagnosed AF across 14 centers in Switzerland. Marital status and education level were defined as social factors, depression and health perception were psychological components. The pre‐defined outcome was unplanned all‐cause hospitalization.ResultsDuring a median follow‐up of 2.0 years, a total of 1713 hospitalizations occurred in 37% of patients. Compared to patients who were married, adjusted rate ratios (aRR) for all‐cause hospitalizations were 1.28 (95% confidence interval [CI], 0.97‐1.69) for singles, 1.31 (95%CI, 1.06‐1.62) for divorced patients, and 1.02 (95%CI, 0.82‐1.25) for widowed patients. The aRRs for all‐cause hospitalizations across increasing quartiles of health perception were 1.0 (highest health perception), 1.15 (95%CI, 0.84‐1.59), 1.25 (95%CI, 1.03‐1.53), and 1.66 (95%CI, 1.34‐2.07). No different hospitalization rates were observed in patients with a secondary or primary or less education as compared to patients with a college degree (aRR, 1.06; 95%CI, 0.91‐1.23 and 1.05; 95%CI, 0.83‐1.33, respectively). Presence of depression was not associated with higher hospitalization rates (aRR, 0.94; 95%CI, 0.68‐1.29).ConclusionsThe findings suggest that psychosocial factors, including marital status and health perception, are strongly associated with the occurrence of hospitalizations in AF patients. Targeted psychosocial support interventions may help to avoid unnecessary hospitalizations.Trial registrationClinicalTrials.gov Identifier NCT02105844.