bluuebunny/crossref_metadata_2025 huggingface dataset:
Colored, Daytime Radiative Coolers with Thin‐Film Resonators for Aesthetic Purposes
Authors: Lee Gil Ju , Kim Yeong Jae , Kim Hyun Myung , Yoo Young Jin , Song Young Min
Published: August 2018

Recently developed approaches in passive radiative cooling enable daytime cooling via engineered photonic structure layouts. However, the use of these daytime radiative coolers is restricted owing to their nonaesthetic appearance resulted from strong solar reflection. Therefore, this article introduces a colored passive radiative cooler (CPRC) capable of generating potential cooling power, based on a thin‐film optical resonator embedded in an efficient thermal emission structure. This CPRC not only selectively emits infrared wave through the atmospheric transparency window but also displays subtractive primary colors to exhibit the desired appearance. Theoretical analysis and systematic experiments prove the possibility of subambient cooling via CPRC by lowering the temperature to 3.9 °C below the ambient air in the daylight. This is the first example of coloring radiative cooler by photonic structures. Successful demonstration of cooling/coloring behavior with wearable electronic devices under solar irradiation represents a major step forward in the field of temperature‐sensitive, flexible, wearable electronic/optoelectronic devices.
Multifunctional Mesoporous Silica Nanoprobes: Material Chemistry–Based Fabrication and Bio‐Imaging Functionality
Authors: Yu Luodan , Lin Han , Lu Xiangyu , Chen Yu
Published: August 2018

Nanoparticles‐based bioimaging probes are attracting broad attention for various biomedical applications. As one of the mostly explored nanoplatforms, mesoporous silica nanoparticles (MSNs) show high clinical‐translation potential for diagnostic probing/imaging. Based on their tunable morphology, abundant surface chemistry, and well‐defined mesostructure, MSNs are regarded as the desirable platforms for constructing diverse nanoprobes via incorporation of a variety of functional moieties or components. In this review, the authors summarize and discuss recent progress in the rational design and fabrication of multifunctional mesoporous silica‐based composite nanoprobes for versatile bioimaging applications. Four kinds of methodologies for the fabrication of these mesoporous silica‐based nanoprobes are discussed, including encapsulating functional nanoparticles within a mesoporous silica shell, assembling functional nanoparticles on the surface of MSNs, dispersing nanoparticles into the nanometer‐scale mesopores of MSNs, and doping functional moieties into the framework of MSNs. The applications of mesoporous silica nanoprobes in magnetic resonance imaging, ultrasound imaging, computed tomography imaging, fluorescence imaging, positron emission computed tomography, photoacoustic (PA) imaging, and even multimodality imaging are discussed in detail. The biosafety of MSN‐based composite nanoplatforms as bioimaging nanoprobes is also highlighted, accompanied by a deep discussion on facing the challenges and future developments for guaranteeing their further potential clinical translation.
Systemic Risks: Theory and Mathematical Modeling
Authors: Lucas Klaus , Renn Ortwin , Jaeger Carlo
Published: August 2018

In a globally connected world, new opportunities are associated with new types of risks. These new types of risks do not respect national boundaries nor are they restricted to particular locations or systems. Instead, they are characterized by contagion and proliferation processes, frequently on the basis of a network structure, with the result that a seemingly harmless local event is able to cause a complete system collapse. The proposal has been made to refer to these types of new risks as systemic risks. It turns out that key phenomena associated with systemic risks can quite naturally be categorized and analyzed in terms of notions originally established in the natural sciences, such as those of chaos, order, and self‐organization, or, more concisely, of dynamic structure generation in complex open systems. In this Essay, the claim is made that there is a homomorphism within the dynamic structure generation across very different domains of systemic risks. Furthermore, there are structural similarities between complex structures in general, and systemic risks in particular. Based on this assumption, one can use established methodologies of complexity science to reveal general macroscopic patterns that seem to govern the dynamics of complex systems.
N, P, and S Codoped Graphene‐Like Carbon Nanosheets for Ultrafast Uranium (VI) Capture with High Capacity
Authors: Chen Zhe , Chen Wanying , Jia Dashuang , Liu Yang , Zhang Anrui , Wen Tao , Liu Jian , Ai Yuejie , Song Weiguo , Wang Xiangke
Published: August 2018

The development of functional materials for the highly efficient capture of radionuclides, such as uranium from nuclear waste solutions, is an important and challenging topic. Here, few‐layered N, P, and S codoped graphene‐like carbon nanosheets (NPS‐GLCs) that are fabricated in the 2D confined spacing of silicate RUB‐15 and applied as sorbents to remove U(VI)ions from aqueous solutions are presented. The NPS‐GLCs exhibit a large capacity, wide pH suitability, an ultrafast removal rate, stability at high ionic strengths, and excellent selectivity for U(VI) as compared to multiple competing metal ions. The 2D ultrathin structure of NPS‐GLCs with large spacing of 1 nm not only assures the rapid mass diffusion, but also exposes a sufficient active site for the adsorption. Strong covalent bonds such as POU and SOU are generated between the heteroatom (N, P, S) with UO2
2+ according to X‐ray photoelectron spectroscopy analysis and density functional theory theoretical calculations. This work highlights the interaction mechanism of low oxidation state heteroatoms with UO2
2+, thereby shedding light on the material design of uranium immobilization in the pollution cleanup of radionuclides.
Resveratrol and ivacaftor are additive G551D CFTR‐channel potentiators: therapeutic implications for cystic fibrosis sinus disease
Authors: Cho Do‐Yeon , Zhang Shaoyan , Lazrak Ahmed , Grayson Jessica W. , Peña Garcia Jaime A. , Skinner Daniel F. , Lim Dong Jin , Mackey Calvin , Banks Catherine , Matalon Sadis , Woodworth Bradford A.
Published: August 2018

Background

Mutations in the cystic fibrosis transmembrane conductance regulator (CFTR) gene result in defective Cl− transport and cause chronic bacterial infections in the upper and lower airways of cystic fibrosis (CF) patients. Ivacaftor is a CFTR potentiator that improves Cl− transport in CF patients with at least 1 copy of the G551D mutation. Resveratrol is also a potent CFTR potentiator that increases determinants of mucociliary transport. The objective of this study is to determine whether resveratrol and ivacaftor improve Cl− secretion in G551D CFTR over either agent alone.

Methods

Fisher rat thyroid cells (FRT) transfected with G551D CFTR and human sinonasal epithelial cells (HSNE) containing the CFTR G551D mutation were subjected to pharmacologic manipulation of transepithelial ion transport in Ussing chambers. Activity was further evaluated using whole‐cell patch clamp methods in G551D FRT cells.

Results

In G551D FRT cells, resveratrol (100 μM) and ivacaftor (10 μM) significantly increased Cl− transport (change in short‐circuit current, δISC = μA/cm2) compared with single‐agent and dimethylsulfoxide vehicle controls (resveratrol + ivacaftor 4.97 ± 0.57 vs ivacaftor 0.74 ± 0.12 vs resveratrol 2.96 ± 0.52 vs control 0.74 ± 0.12; p < 0.001). Maximal Cl− secretion (20 μM forskolin) was also significantly enhanced (p < 0.0001). Activity was confirmed in G551D HSNE (resveratrol + ivacaftor 4.48 ± 0.39 vs ivacaftor 1.05 ± 0.11 vs. resveratrol 0.84 ± 0.3 vs control, 0.0 ± 0.02; p < 0.001), and whole‐cell patch clamp analysis in G551D FRT cells (resveratrol + ivacaftor −2535 ± 179.3 pA vs ivacaftor −1408.9 ± 101.3 pA vs resveratrol; −766.2 ± 71.2 pA; p < 0.0001).

Conclusion

Additive improvement in G551D CFTR‐mediated Cl− secretion suggests that resveratrol could enhance ivacaftor therapy in these patients and improve CF‐related rhinosinusitis.
Revisiting Arene C(sp2)−H Amidation by Intramolecular Transfer of Iridium Nitrenoids: Evidence for a Spirocyclization Pathway
Authors: Hwang Yeongyu , Park Yoonsu , Kim Yeong Bum , Kim Dongwook , Chang Sukbok
Published: August 2018

Two mechanistic pathways, that is, electrocyclization and electrophilic aromatic substitution, are operative in most intramolecular C−H amination reactions proceeding by metal nitrenoid catalysis. Reported here is an alternative mechanistic scaffold leading to benzofused δ‐lactams selectively. Integrated experimental and computational analysis revealed that the reaction proceeds by a key spirocyclization step followed by a skeletal rearrangement. Based on this mechanistic insight, a new synthetic route to spirolactams has been developed.
Biobased waterborne, tough hyperbranched polyester thermosets as environmentally benign polymeric materials
Authors: Hazarika Deepshikha , Karak Niranjan
Published: August 2018

High‐performing water‐dispersible polyester synthesized under facile and ecofriendly reaction conditions has gained substantial interest because it has zero volatile organic compounds and is nontoxic. However, such polyester suffers from poor mechanical performance, so it is unsuitable for modern applications. In the present study, we focused on synthesis of a water‐dispersible polyester that contains aromatic and aliphatic moieties in the polymer backbone and can be readily synthesized from biobased and well‐defined reactants. We have synthesized water‐dispersible hyperbranched polyesters using three different weight percents of glycerol‐based hyperbranched polyol as a branch‐generating moiety containing both aromatic and aliphatic units along with citric acid, poly(ethylene glycol), and 2,2‐bis(hydroxymethyl) propionic acid through a solvent‐, catalyst‐, and neutralizing agent‐free facile route. The chemical structures of these polyesters were elucidated using various instrumental analyses. Hyperbranched epoxy and poly(amido amine) cured thermosets of these polyesters exhibited high tensile strength, toughness, impact resistance, scratch resistance, high gloss, biodegradability, and good chemical resistance without much effect on their elongation at break. Therefore, this high‐performing, sustainable, tough water‐dispersible thermosetting polyester has strong potential as an environmentally friendly polymeric material. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46738.
Preparation of a novel supermacroporous molecularly imprinted cryogel membrane with a specific ionic liquid for protein recognition and permselectivity
Authors: Fan Jie‐Ping , Zhang Feng‐Yan , Yang Xue‐Meng , Zhang Xue‐Hong , Cao Ya‐Hui , Peng Hai‐Long
Published: August 2018

A novel supermacroporous molecularly imprinted cryogel membrane (MICM) was prepared via cryopolymerization using a functionalized ionic liquid {(1‐vinyl‐3–(2‐amino‐2‐oxoethyl) imidazolium chloride, [VAMIM]Cl]} as functional monomer. Bovine serum albumin (BSA) was selected as the model protein. The novel membrane has the advantages of several concepts, such as, the easy mass transport of cryogel, the multiple weak interactions of ionic liquid with protein, high selectivity of molecularly imprinted polymer, and continuous separation of membrane separation. The membrane was characterized by scanning electron microscopy (SEM), Fourier transform infrared spectrum (FT‐IR), thermal gravimetric analysis (TGA), and X‐ray photoelectron spectroscopy (XPS). Ovalbumin (Ova), lysozyme (Lys), and bovine hemoglobin (BHb) were selected as reference proteins to examine the selective recognition of BSA on MICM. The results of SEM images and the swelling ratios showed that MICM had a larger amount of interconnected supermacropores compared with NMICM, which was beneficial for BSA to be adsorbed onto and pass through MICM. The adsorption and permeation results indicated that MICM had better recognition selectivity and permselectivity to the objective protein BSA than NMICM. Overall, the results showed that the functionalized ionic liquid was a good choice to prepare supermacroporous MICM via cryopolymerization for selective recognition of BSA. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2018,135, 46740.
Smart behavior of elastomeric composites produced by injection molding
Authors: Volpe V. , Davino D. , Sorrentino L. , Gorrasi G. , Pantani R.
Published: August 2018

This work reports the preparation and characterization of composites based on ethylene vinyl acetate (EVA) and iron based powder produced by an injection molding machine specifically designed to host an electromagnet connected to a power supply which generates a magnetic field during the forming phases. The magnetic field allows the repositioning of the particles along the magnetic field lines leading to an anisotropic structural reinforcement. Thermogravimetric analyses show that the addition of iron powder to the EVA allows thermal stabilization, delaying the first degradation step ascribed to the loss of acetic acid. Mechanical characterizations show that the samples present a higher tensile modulus in the direction of the magnetic field with respect to the same property measured in the direction perpendicular to the magnetic field and considerably higher than the modulus of the samples obtained without the application of magnetic field. Furthermore, the samples obtained in the presence of magnetic field present sensitivity to the application of an external magnetic field. These results demonstrate that the application of a magnetic field during the injection molding process of EVA/Fe composite induced an alignment of the particles, which therefore induce peculiar properties to the samples. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46863.
Associative and Dissociative Processes in Non‐Covalent Polymer‐Mediated Intracellular Protein Delivery
Authors: Posey Nicholas D. , Tew Gregory N.
Published: August 2018

Functional protein delivery has created new opportunities for studying intracellular processes and discovering new therapeutics. To that end, researchers have pursued intracellular protein delivery by using an increasing number of methods. This focus review will highlight polymeric carriers that non‐covalently bind and deliver protein cargo in vitro. The correlation between polymer–protein binding and delivery as well as the correlation between complex–membrane binding and delivery is reviewed. Finally, binding and its relation to the intracellular function of the protein post‐delivery is considered. The purpose of this review is to evaluate the role that binding interactions play in the non‐covalent protein‐delivery landscape. Presently, the literature does not adequately resolve how binding throughout the process ultimately affects delivery. The field does contain preliminary insights that are expected to impact future delivery applications when developed further.
Enzyme‐Embedded Metal–Organic Framework Colloidosomes via an Emulsion‐Based Approach
Authors: Zhu Guixian , Zhang Mizhen , Bu Yang , Lu Lidan , Lou Xiaoping , Zhu Lianqing
Published: August 2018

Improving the activity and stability of enzymes is significant in enzyme immobilization. Here a facile approach to prepare ring‐like ZIF‐8 colloidosomes and spherical catalase‐embedded ZIF‐8 colloidosomes is developed via one‐step emulsion‐based technique at the water/butanol interface. The influence of the concentrations of ZIF‐8 nanocrystals and Pluronic F127 as well as the oil‐water ratio was investigated. Compared with in situ biomineralization, the colloidosomes prepared via the pickering emulsion method show successful encapsulation of positively charged enzymes. By using catalase as an immobilized model, the immobilized catalase exhibits high biocatalytic activity, stability and recyclability compared with free catalase.
Rhodium(III)‐Catalyzed Oxidative Annulation of Acrylic Acid with Alkynes: An Easy Approach to the Synthesis of α‐Pyrones
Authors: Li Yu‐Ting , Zhu Yan , Tu Guang‐Liang , Zhang Jing‐Yu , Zhao Ying‐Sheng
Published: August 2018

A highly efficient rhodium(III)‐catalyzed direct oxidative annulation of acrylic acid with alkynes to form α‐pyrones was developed. Various substituted acrylic acids were compatible in this transformation, affording the corresponding products in moderate to excellent yields under mild conditions.
Catalytic dehydration of hexose sugars to 5‐hydroxymethylfural
Authors: Zou Xianli , Zhu Chang , Wang Qian , Yang Gang
Published: August 2018

The catalytic conversion of cellulosic biomass to downstream products provides a viable solution to alleviate the energy crisis and global warming. This article provides a relatively comprehensive review of the dehydration of glucose (the monomer of cellulose) and fructose considering various catalyst and solvent systems. Biphasic solvents and heterogeneous systems are recommended from the point of view of industrial applications. A two‐step catalytic conversion of glucose via fructose has been envisaged: first, isomerization of glucose to fructose, which has been extensively discussed in this review, and then transformation of fructose to downstream products. Two‐step tandem catalytic reactions from glucose to downstream products (i.e., one‐pot synthesis via fructose) are also attractive for industrial applications and should be given more attention. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd
The syndrome of proximal femur, fibula, and midline metatarsal long bone deficiencies
Authors: Hootnick David R. , Vargesson Neil
Published: August 2018

Human lower limb congenital long bone deficiencies cluster primarily at three distinct skeletal locations. Proximal femoral and fibular reductions are known phenomena. In contrast, midline metatarsal deficiencies have been misrepresented as lateral. The popular term, “fibular hemimelia,” is inaccurate and its use is discouraged.

All three locations correspond to discrete sites of evolving angiogenesis during transition from a single embryonic axial limb artery to the familiar and complex adult arterial pattern. Initiation of bone formation of cartilaginous primordia of the long bones at all three sites occurs in proximity to, and depends upon, successful invasion by mature nutrient vessels, formed during the 6th and 7th weeks of embryonic development. The adult arterial pattern is fully established by 8th embryonic week.

Arterial transitions occur later in development, around the time of cessation of the molecular processes of patterning/specification of the embryonic limb. Evidence of flawed embryonic arterial transitions, involving missing, reduced and/or retained primitive vessels in association with congenital skeletal reductions have been demonstrated at all three sites.

Current molecular models of limb development do not explain the distribution of this triad of congenital skeletal reductions. These dysmorphologies are most accurately described as post‐specification errors of limb development. Recognition of this distinctive model of limb maldevelopment demands further investigation to create a more exact taxonomy, one consistent with both clinical and molecular criteria. The established terminologies originated by Frantz and O'Rahilly should be reconsidered or abandoned. Designation of this clinical triad as a syndrome of proximal femur, fibula, and midline metatarsal dystrophisms initiates that endeavor.
An Emerging System to Study Photosymbiosis, Brain Regeneration, Chronobiology, and Behavior: The Marine Acoel Symsagittifera roscoffensis
Authors: Arboleda Enrique , Hartenstein Volker , Martinez Pedro , Reichert Heinrich , Sen Sonia , Sprecher Simon , Bailly Xavier
Published: August 2018

The acoel worm Symsagittifera roscoffensis, an early offshoot of the Bilateria and the only well‐studied marine acoel that lives in a photosymbiotic relationship, exhibits a centralized nervous system, brain regeneration, and a wide repertoire of complex behaviors such as circatidal rhythmicity, photo/geotaxis, and social interactions. While this animal can be collected by the thousands and is studied historically, significant progress is made over the last decade to develop it as an emerging marine model. The authors here present the feasibility of culturing it in the laboratory and describe the progress made on different areas, including genomic and tissue architectures, highlighting the associated challenges. In light of these developments, and on the ability to access abundant synchronized embryos, the authors put forward S. roscoffensis as a marine system to revisit questions in the areas of photosymbiosis, regeneration, chronobiology, and the study of complex behaviors from a molecular and evolutionary perspective.
Oral fluorouracil vs vinorelbine plus cisplatin as adjuvant chemotherapy for stage II‐IIIA non‐small cell lung cancer: Propensity score‐matched and instrumental variable analyses
Authors: Urushiyama Hirokazu , Jo Taisuke , Yasunaga Hideo , Michihata Nobuaki , Matsui Hiroki , Hasegawa Wakae , Takeshima Hideyuki , Sakamoto Yukiyo , Hiraishi Yoshihisa , Mitani Akihisa , Fushimi Kiyohide , Nagase Takahide , Yamauchi Yasuhiro
Published: August 2018

Background

Adjuvant chemotherapy with vinorelbine plus cisplatin (VNR/CDDP) is a standard regimen for treatment of postoperative stage II‐IIIA non‐small cell lung cancer (NSCLC). However, oral fluorouracil offers a feasible alternative adjuvant chemotherapeutic regimen. We compared the prognoses of patients with NSCLC treated with adjuvant chemotherapy with either VNR/CDDP or oral fluorouracil.

Methods

We identified patients with stage II‐IIIA NSCLC who underwent lung surgery followed by adjuvant chemotherapy with VNR/CDDP (n = 384) or oral fluorouracil (n = 268) between July 2010 and March 2015, using the national Japanese inpatient and outpatient Diagnosis Procedure Combination database. We compared recurrence‐free survival between the groups by multivariable Cox regression analysis for one‐to‐one propensity score‐matched patients and by instrumental variable analysis.

Results

Younger patients and patients with positive N2 nodes were more likely to receive VNR/CDDP, while older patients and those with T3N0 classification were more likely to receive oral fluorouracil. Among 172 pairs of propensity‐matched patients, time to adjuvant chemotherapy was shorter for oral fluorouracil compared with VNR/CDDP. Oral fluorouracil was also significantly associated with improved recurrence‐free survival compared with VNR/CDDP, according to multivariable Cox regression analysis (hazard ratio, 0.41; 95% confidence interval, 0.26‐0.64). Instrumental variable analysis showed a similar relationship (hazard ratio, 0.19; 95% confidence interval, 0.038‐0.92).

Conclusions

On a large nationwide cohort, adjuvant chemotherapy with oral fluorouracil prolonged recurrence‐free survival in patients with postoperative stage II‐IIIA NSCLC, compared with VNR/CDDP. Oral fluorouracil may thus be a useful alternative to VNR/CDDP for the adjuvant treatment of these patients.
Differentiation of atypical pancreatic neuroendocrine tumors from pancreatic ductal adenocarcinomas: Using whole‐tumor CT texture analysis as quantitative biomarkers
Authors: Li Jiali , Lu Jingyu , Liang Ping , Li Anqin , Hu Yao , Shen Yaqi , Hu Daoyu , Li Zhen
Published: August 2018

Background

To explore the application value of computed tomography (CT) texture analysis in differentiating atypical pancreatic neuroendocrine tumors (pNET) from pancreatic ductal adenocarcinomas (PDAC).

Materials and methods

This single‐center retrospective study was approved by local institutional review board, and the requirement for informed consent was waived. We retrospectively analyzed 127 patients with 50 PDACs and 77 pNETs in pathology database between January 2012 and May 2017.These patients successfully finished preoperative contrast‐enhanced CT test. Texture parameters (mean, median, 5th, 10th, 25th, 75th, 90th percentiles, skewness, kurtosis and entropy) were extracted from portal images and compared between PDAC and 77 pNET groups using proper statistical method. The optimal parameters for differentiating PDACs and atypical pNETs were gained through receiver operating characteristic (ROC) curves.

Results

On the basis of arterial enhancement, 52 pNETs (67%, 52/77) were typical hypervascular and 25 pNETs (32%, 25/77) were atypical hypovascular. Compared with PDACs, atypical pNETs had statistically higher mean, median, 5th, 10th, and 25th percentiles (P = 0.006, 0.024, 0.000, 0.001, 0.021, respectively) and statistically lower skewness (P = 0.017). However, there were no difference for 75th, 90th percentiles, kurtosis and entropy between these two tumors (P = 0.232, 0.415, 0.143, 0.291, respectively). For differentiating PDACs and atypical pNETs, 5th percentile and 5th+skewness were optimal parameters for alone and combined diagnosis, respectively.

Conclusion

Volumetric CT texture features, especially combined diagnosis of 5th+skewness can be used as a quantitative tool to distinguish atypical pNETs from PDACs.
Optimal Thickness of a Porous Micro‐Electrode Operating a Single Redox Reaction
Authors: Le Tien D. , Zhang Lin , Reculusa Stéphane , Vignoles Gérard , Mano Nicolas , Kuhn Alexander , Lasseux Didier
Published: August 2018

This article reports on a procedure to predict the optimal thickness of cylindrical porous electrodes operating a single redox reaction. This is obtained from a macroscopic model for the coupled diffusion‐reaction process that is first validated with voltammetry experiments of the H2O2/H2O reduction reaction carried out with a series of porous electrodes elaborated in this work. An analytical solution to this model is developed in the steady regime and for electrodes featuring a thickness to mean radius ratio small enough compared to unity. An analytical expression of the optimal electrode thickness is derived corresponding to the crossover value of two asymptotic regimes characterizing the dependence of the volume current density produced by the electrode upon its thickness. The predictive tool of the optimal thickness is general, regardless of the porous microstructure. The case of the electrodes used in the reported experiments illustrates that the optimal thickness is not intrinsic to the microsctructure characterized by the size of the representative volume, its specific area and effective diffusion coefficient. It also depends on the operating conditions reflected in the kinetic number, Ki, and the thickness of the diffusion layer surrounding the electrode. The dependence of the optimal thickness on these two parameters is quite significant in a range of very small values of Ki but remains quasi constant beyond a threshold value.
Improved Specific Capacity of Nb2O5 by Coating on Carbon Materials for Lithium‐Ion Batteries
Authors: Yang Fan , Li Weiyang , Rui Yichuan , Tang Bohejin
Published: August 2018

Materials for lithium‐ion batteries (LIBs) with excellent electrochemical performance are of significance to meet the increasing demand for rechargeable batteries. Niobium pentoxide (Nb2O5), as an intercalation material with promising electrochemical properties has caught our attention. In this study, Nb2O5 nanoparticles were successfully synthesized through a classical sol‐gel process. The nanoparticles with a size of less than 5 nm were uniformly coated on carbon materials, i. e., reduced graphene oxide (rGO) and three‐dimensionally ordered macroporous (3DOM) carbon, under the same proportion, to explore which kind of carbon materials is more suitable to improve the electrochemical performance of Nb2O5 as an anode for LIBs. Nb2O5/3DOM carbon composite exhibited a superior electrochemical performance to the other two materials, where a high reversible capacity of 519 mA h g−1 could be maintained at the current density of 5.0C (C=201.7 mA g−1). Furthermore, the specific capacity of Nb2O5/3DOM carbon composite maintained 1163 mA h g−1 at the current density of 0.2C (C=201.7 mA g−1) after 100 cycles.
Directed OmniChange Evolution Converts P450 BM3 into an Alkyltrimethylammonium Hydroxylase
Authors: Ji Yu , Mertens Alan Maurice , Gertler Christoph , Fekiri Sallama , Keser Merve , Sauer Daniel F. , Smith Kilian E. C. , Schwaneberg Ulrich
Published: August 2018

Cetyl‐trimethylammonium bromide (CTAB) is a widely used cationic surfactant that is biodegradable in nature. CTAB biodegradation requires hydroxylation in the first step, which is rate‐limiting and crucial for solubility in water. In this study, the OmniChange multi‐site mutagenesis method was applied to reengineer the P450 BM3 substrate specificity towards the hydroxylation of CTAB by simultaneous mutagenesis of four previously reported positions (R47, Y51, F87, and L188). 1740 clones from the P450 BM3 OmniChange library were screened with the NADPH depletion assay. A total of 696 clones were rescreened with the NADPH depletion and an Ampliflu™ Red/ horseradish peroxidase based H2O2 detection assay. Several improved P450 BM3 variants were identified and finally four were kinetically characterized with respect to CTAB hydroxylation, based on both performance and coupling efficiency. Based on NADPH consumption, the P450 BM3 variant P3A8 (R47E/Y51M/F87V/L188E) displayed an initial activity (64.9±4.8 s−1, 13.5‐fold increased activity compared with wild‐type P450 BM3), which nearly matches the specific activity for its natural fatty acid substrate (palmitic acid (32–122 s−1)). Variant P3A8 showed high coupling efficiency (92.5 %), whereas wild‐type P450 BM3 displayed a low coupling efficiency (0.5 %). HPLC‐MS/MS detection confirmed that P3A8 and P2E7 (R47D/Y51L/F87V/L188A) form 13 and 35 times more 2‐hydroxylated CTAB than P450 BM3. In addition, di‐hydroxylated CTAB products were detected for all four investigated P450 BM3 variants (up to a yield of 77 %; P3A8). Di‐hydroxylated quaternary amines are highly interesting bolaform surfactants with a high hydrophilicity (surface contact angle: θ=16.7°).
Prodrugs of Nucleoside Triphosphates as a Sound and Challenging Approach: A Pioneering Work That Opens a New Era in the Direct Intracellular Delivery of Nucleoside Triphosphates
Authors: Camarasa María‐José
Published: August 2018

Synthetic nucleosides, designed to mimic naturally occurring nucleosides, are important antiviral and anticancer chemotherapeutic agents. However, nucleosides are not active as such and need to be metabolized, step by step, to their corresponding active nucleoside triphosphates (NTPs). This is mediated by phosphorylating enzymes, mainly host cellular kinases with strong specificity for their substrates; in many cases, this specificity prevents efficient conversion into the NTPs. To circumvent this metabolic handicap, successful nucleo(s/t)ide prodrugs have been developed as a valuable concept in the design of effective drugs. The unique concept of the TriPPPro approach, developed by Chris Meier and colleagues, is a powerful tool for the intracellular delivery of active NTPs, bypassing all the phosphorylation steps required by nucleosides to yield the active NTP metabolites. This concept is illustrated herein with general examples.
Folates in Trypanosoma brucei: Achievements and Opportunities
Authors: Cullia Gregorio , Tamborini Lucia , Conti Paola , De Micheli Carlo , Pinto Andrea
Published: August 2018

Trypanosoma brucei is the agent of human African trypanosomiasis (HAT), a neglected disease that threatens the lives of 65 million people in sub‐Saharan Africa every year. Unfortunately, available therapies are unsatisfactory, due primarily to safety issues and development of drug resistance. Over the last decades significant effort has been made in the discovery of new potential anti‐HAT agents, with help from the World Health Organization (WHO) and private–public partnerships such as the Drugs for Neglected Diseases Initiative (DNDi). Whereas antifolates have been a valuable source of drugs against bacterial infections and malaria, compounds effective against T. brucei have not yet been identified. Considering the relatively simple folate metabolic pathway in T. brucei, along with results obtained in this research field so far, we believe that further investigations might lead to effective chemotherapeutic agents. Herein we present a selection of the more promising results obtained so far in this field, underlining the opportunities that could lead to successful therapeutic approaches in the future.
A comparative study of porous medium CFD models for flow diverter stents: Advantages and shortcomings
Authors: Dazeo Nicolás , Dottori Javier , Boroni Gustavo , Larrabide Ignacio
Published: August 2018

In computational fluid dynamics, there is a high interest in modeling flow diverter stents as porous media due to its reduced computational loads. One of the main difficulties of such models is proper parameter setup. Most authors assume flow diverter's wire screen as an isotropic and homogeneous medium, while others proposes anisotropic configurations, yet very little is discussed about the effect of these assumptions on model's accuracy. In this paper, we compare the effect of different models on hemodynamics in relation to their parameters. The fidelity and efficiency of the different models to capture wire screen effect on fluid flow are quantitatively analyzed and compared.
Global Regularity of 2D Density Patches for Viscous Inhomogeneous Incompressible Flow with General Density: Low Regularity Case
Authors: Liao Xian , Zhang Ping
Published: August 2018

This paper presents some progress toward an open question proposed by P.‐L. Lions [26] concerning the propagation of regularities of density patches for viscous inhomogeneous incompressible flow. We first establish the global‐in‐time well‐posedness of the two‐dimensional inhomogeneous incompressible Navier‐Stokes system with initial density. Hereis any pair of positive constants and Ω0is a bounded, simply connecteddomain. We then prove that for any positive timet, the density, with the domain Ω(t) preserving the‐boundary regularity. © 2018 Wiley Periodicals, Inc.
cuThomasBatch and cuThomasVBatch, CUDA Routines to compute batch of tridiagonal systems on NVIDIA GPUs
Authors: Valero‐Lara Pedro , Martínez‐Pérez Ivan , Sirvent Raül , Martorell Xavier , Peña Antonio J.
Published: August 2018

The solving of tridiagonal systems is one of the most computationally expensive parts in many applications, so that multiple studies have explored the use of NVIDIA GPUs to accelerate such computation. However, these studies have mainly focused on using parallel algorithms to compute such systems, which can efficiently exploit the shared memory and are able to saturate the GPUs capacity with a low number of systems, presenting a poor scalability when dealing with a relatively high number of systems. The gtsvStridedBatch routine in the cuSPARSE NVIDIA package is one of these examples, which is used as reference in this article. We propose a new implementation (cuThomasBatch) based on the Thomas algorithm. Unlike other algorithms, the Thomas algorithm is sequential, and so a coarse‐grained approach is implemented where one CUDA thread solves a complete tridiagonal system instead of one CUDA block as in gtsvStridedBatch. To achieve a good scalability using this approach, it is necessary to carry out a transformation in the way that the inputs are stored in memory to exploit coalescence (contiguous threads access to contiguous memory locations). Different variants regarding the transformation of the data are explored in detail. We also explore some variants for the case of variable batch, when the size of the systems of the batch has different size (cuThomasVBatch). The results given in this study prove that the implementations carried out in this work are able to beat the reference code, being up to 5× (in double precision) and 6× (in single precision) faster using the latest NVIDIA GPU architecture, the Pascal P100.
MADPTM: Mix zones and dynamic pseudonym trust management system for location privacy
Authors: Memon Imran , Mirza Hamid Turab
Published: August 2018

In intelligent transportation systems, the messages transmitted and received from one vehicle to another vehicle may enhance location privacy scheme; falsification message forwarding collusion attack, timing, and transition attacks all are serious issues and must be addressed in event trust management. Without which, decision making on event message may endanger the whole transportation system and may even threat the human life. In addition, pseudonym expiry is another critical issue of location privacy. The time interval of decision waiting even has been the critical accident response time. In this paper, we proposed a new novel mix zones and dynamic pseudonym trust management system, called MADPTM, which aims to prevent against attackers under privacy‐enhanced road networks. On shortening the pseudonym expiry, we propose dynamic pseudonym trust management system, with the assistance of reported server. We performed a set of simulations under many trust attack models to evaluate the performance and efficiency of the proposed system. Our proposed MADPTM method proved to be highly resilient to various attacks, and simulation results verified that our method outperforms other existing methods.
Synthesis and pharmacology of new psychoactive substance 5F‐CUMYL‐P7AICA, a scaffold‐ hopping analog of synthetic cannabinoid receptor agonists 5F‐CUMYL‐PICA and 5F‐CUMYL‐PINACA
Authors: Banister Samuel D. , Adams Axel , Kevin Richard C. , Macdonald Christa , Glass Michelle , Boyd Rochelle , Connor Mark , McGregor Iain S. , Havel Christopher M. , Bright Stephen J. , Vilamala Mireia Ventura , Lladanosa Cristina Gil , Barratt Monica J. , Gerona Roy R.
Published: August 2018

Synthetic cannabinoid receptor agonists (SCRAs) are a dynamic class of new psychoactive substances (NPS), with novel chemotypes emerging each year. Following the putative detection of 5F‐CUMYL‐P7AICA in Australia in 2016, the scaffold‐hopping SCRAs 5F‐CUMYL‐PICA, 5F‐CUMYL‐PINACA, and 5F‐CUMYL‐P7AICA were synthesized and characterized by nuclear magnetic resonance (NMR) spectroscopy, gas chromatography–mass spectrometry (GC–MS), and liquid chromatography–quadrupole time‐of‐flight–MS (LC–QTOF–MS). Since little is known of the pharmacology of 7‐azaindole SCRAs like 5F‐CUMYL‐P7AICA, the binding affinities and functional activities of all compounds at cannabinoid type 1 and type 2 receptors (CB1 and CB2, respectively) were assessed using tritiated radioligand competition experiments and fluorescence‐based plate reader membrane potential assays. Despite CB1 binding affinities differing by over two orders of magnitude (Ki = 2.95–174 nM), all compounds were potent and efficacious CB1 agonists (EC50 = 0.43–4.7 nM), with consistent rank order for binding and functional activity (5F‐CUMYL‐PINACA >5F‐CUMYL‐PICA >5F‐CUMYL‐P7AICA). Additionally, 5F‐CUMYL‐P7AICA was found to exert potent cannabimimetic effects in mice, inducing hypothermia (6°C, 3 mg/kg) through a CB1‐dependent mechanism.
Pre‐fire drought and competition mediate post‐fire conifer mortality in western U.S. National Parks
Authors: van Mantgem Phillip J. , Falk Donald A. , Williams Emma C. , Das Adrian J. , Stephenson Nathan L.
Published: August 2018

Tree mortality is an important outcome of many forest fires. Extensive tree injuries from fire may lead directly to mortality, but environmental and biological stressors may also contribute to tree death. However, there is little evidence showing how the combined effects of two common stressors, drought and competition, influence post‐fire mortality. Geographically broad observations of three common western coniferous trees subjected to prescribed fire showed the likelihood of post‐fire mortality was related to intermediate‐term (10 yr) pre‐fire average radial growth, an important component of tree vigor. Path analysis showed that indices of competition and drought stress prior to fire can be described in terms of joint effects on growth, indirectly affecting post‐fire mortality. Our results suggest that the conditions that govern the relationship between growth and mortality in unburned stands may also apply to post‐fire environments. Thus, biotic and abiotic changes that affect growth negatively (e.g., drought stress) or positively (e.g., growth releases following thinning treatments) prior to fire may influence expressed fire severity, independent of fire intensity (e.g., heat flux, residence time). These relationships suggest that tree mortality may increase under stressful climatic or stand conditions even if fire behavior remains constant.
Chemical and Electrochemical Oxidation of Tris(3,5‐di‐tert‐butylphenyl)phosphine – High Z′ Crystal Structures and Conformational Effects Associated with Bulky meta Substituents
Authors: Dimbarre Lao Guimarães Ivelise , Garcia Jarem Raul , Wohnrath Karen , Boeré René T.
Published: August 2018

Invited for the cover of this issue is the group of Karen Wohnrath of Universidade Estadual de Ponta Grossa, Paraná, Brazil, and collaborator René Boeré of the University of Lethbridge, Alberta, Canada, focused on enhancing ruthenium metallodrug design for antiproliferative and antibacterial agents. The cover image shows the shape of a highly lipophilic organophosphine ligand used in these studies.
Mechanical characterization of HIV‐1 with a solid‐state nanopore sensor
Authors: Darvish Armin , Lee Jung Soo , Peng Bin , Saharia Jugal , VenkatKalyana Sundaram Ramalingam , Goyal Gaurav , Bandara Nuwan , Ahn Chi Won , Kim Jungsuk , Dutta Prashanta , Chaiken Irwin , Kim Min Jun
Published: August 2018

Enveloped viruses fuse with cells to transfer their genetic materials and infect the host cell. Fusion requires deformation of both viral and cellular membranes. Since the rigidity of viral membrane is a key factor in their infectivity, studying the rigidity of viral particles is of great significance in understating viral infection. In this paper, a nanopore is used as a single molecule sensor to characterize the deformation of pseudo‐type human immunodeficiency virus type 1 at sub‐micron scale. Non‐infective immature viruses were found to be more rigid than infective mature viruses. In addition, the effects of cholesterol and membrane proteins on the mechanical properties of mature viruses were investigated by chemically modifying the membranes. Furthermore, the deformability of single virus particles was analyzed through a recapturing technique, where the same virus was analyzed twice. The findings demonstrate the ability of nanopore resistive pulse sensing to characterize the deformation of a single virus as opposed to average ensemble measurements.
Heterogeneity of colon and rectum cancer incidence across 612 SEER counties, 2000–2014
Authors: Chernyavskiy Pavel , Kennerley Victoria M. , Jemal Ahmedin , Little Mark P. , Rosenberg Philip S.
Published: August 2018

Recent analyses have suggested decreases over time in colorectal cancer incidence at older ages (≥55 years) but increases at younger ages (20–54 years). Understanding the geographic heterogeneity of incidence facilitates resource allocation for potential interventions and advances our knowledge of differential etiologies for these cancers. We performed age‐period‐cohort analysis using 2000–2014 county‐level incidence from the Surveillance, Epidemiology, and End Results (SEER) database, estimating relative risk (RR) and age‐adjusted annual percent change (Net Drifts) simultaneously for 612 counties via a hierarchical model, separately for colon and rectum cancer, stratified by age group (20–54 vs. 55–84). We also studied correlates of RR and Net Drift with various county‐level characteristics. In all SEER counties, colon and rectum cancer incidence rates increased at ages 20–54, whereas rates decreased at ages 55–84. There was marked heterogeneity in both RR and Net Drift among states and counties for both cancer types. Maps of county RR and Net Drift revealed localized clusters in several states. For both cancer types, counties with high RR and unfavorable Net Drift tended to have higher prevalence of obesity and diabetes and to be of a lower socioeconomic status. Counties with higher overall screening rates tended to have lower Net Drifts for both cancer types. Increasing colorectal cancer incidence in the younger age group is geographically widespread, although there is significant heterogeneity in temporal trends and risk both within and between states. These geographic patterns correlate with different county‐level characteristics depending on cancer type and age group.
Inhibition of CYP2E1 With Propylene Glycol Does Not Protect Against Hepatocellular Injury in Human Acetaminophen Daily‐Dosing Model
Authors: Ganetsky Michael , Berg Anders H. , Solano Joshua J. , Salhanick Steven
Published: August 2018

Acetaminophen (APAP)‐induced liver injury is initiated by metabolism of APAP by the cytochrome P‐450 (CYP) system, primarily CYP2E1. We previously demonstrated CYP inhibition following administration of a liquid APAP formulation containing propylene glycol, a CYP2E1 inhibitor, and other excipients. This study was undertaken to determine if propylene glycol specifically inhibits production of CYP‐derived metabolites and if propylene glycol reduces the rise in alanine aminotransferase (ALT) seen following prolonged APAP dosing. Human subjects were randomized to receive 4 g of APAP daily in one arm of the study or 4 g of APAP with 5 mL of 99% propylene glycol in the other arm, both for 14 days. After a washout period of at least 14 days, subjects were crossed over between arms. Outcomes were rise of ALT greater than 2 times baseline (responders) and proportion of randomly sampled CYP‐derived metabolites relative to total metabolites produced. There was no difference in percentage of responders between treatment groups: 6 of 21 in the APAP group (29%) compared with 8 of 20 in the APAP + propylene glycol group (40%); chi‐square, P = .59. For all subjects, the mean percentage of CYP‐derived metabolites produced was 5.8% (APAP) versus 4.3% (APAP + propylene glycol); P = .018. This effect was solely attributable to the responders: the mean percentage of CYP metabolites of responders was 7.7% (APAP) versus 4.6% (APAP + propylene glycol), P = .050, whereas there was no difference for the nonresponders. Five subjects were responders in both arms (2% probability of random occurrence). Our data indicates that propylene glycol inhibits CYP2E1 metabolism of APAP in some subjects but does not effect hepatocellular indury at the dose given.
Exposure assessment of rainfall to interannual variability using the wavelet transform
Authors: Zeri Marcelo , Cunha‐Zeri Gisleine , Gois Givanildo , Lyra Gustavo B. , Oliveira‐Júnior José Francisco
Published: August 2018

It is generally accepted that El Niño–Southern Oscillation (ENSO) is the main modulator of rainfall variability over Northern South America in the interannual scale. Assuming that, an index is proposed to quantify this expected interannual variability in time series of rainfall. The result is the exposure assessment to the effects of droughts, measured with the Standardized Precipitation Index (SPI) for the monthly scale. The SPI is calculated from rainfall series, and wavelet analysis is used to estimate the variance for different frequencies present in the signal. The Wavelet Interannual Variability Index (WIVI) is calculated as the sum of the wavelet coefficients over a predetermined range of modes of variability (with periods longer than 2 year and shorter than 8 years). The index was tested using a dataset of rainfall records from Tocantins state, Central Brazil. Most of the series ranged from 1974 to 2012. On average, the series had 3.2% of gaps which were not filled to avoid the effect of artificial trends on the data. The state lies mostly over the Cerrado biome and is a new frontier of agricultural development in Brazil. According to the results, the Northern region is under higher exposure of interannual variability, with higher values of WIVI. The assessment is in agreement with large‐scale features of South American climate, specifically considering the influences of the Pacific and Atlantic Oceans and their patterns of sea surface temperature (SST).