bluuebunny/crossref_metadata_2025 huggingface dataset:
Population genetics and migration pathways of the Mediterranean fruit flyCeratitis capitatainferred with coalescent methods
Authors: Arias Maria Belen , Elfekih Samia , Vogler Alfried P.
Published: August 2018

Background

Invasive species are a growing threat to food biosecurity and cause significant economic losses in agricultural systems. Despite their damaging effect, they are attractive models for the study of evolution and adaptation in newly colonised environments. The Mediterranean fruit fly,Ceratitis capitata, as a member of the family Tephritidae, is one of the most studied invasive species feeding on many fruit crops in the tropics and subtropics worldwide. This study aims to determine the global macrogeographic population structure ofCeratitis capitataand reconstruct its potential migration routes.

Method

A partial mitochondrial cytochrome oxidase I gene from >400 individual medflies and 14 populations from four continents was sequenced and subjected to Bayesian demographic modelling.

Results

The Afrotropical populations (Kenya, South Africa and Ghana) harbour the majority of haplotypes detected, which also are highly divergent, in accordance with the presumed ancestral range of medflies in Sub-Saharan Africa. All other populations in the presumed non-native areas were dominated by a single haplotype also present in South Africa, in addition to a few, closely related haplotypes unique to a single local population or regional set, but missing from Africa. Bayesian coalescence methods revealed recent migration pathways from Africa to all continents, in addition to limited bidirectional migration among many local and intercontinental routes.

Conclusion

The detailed investigation of the recent migration history highlights the interconnectedness of affected crop production regions worldwide and pinpoints the routes and potential source areas requiring more specific quarantine measures.
Triassic pentadactyl tracks from the Los Menucos Group (Río Negro province, Patagonia Argentina): possible constraints on the autopodial posture of Gondwanan trackmakers
Authors: Citton Paolo , Díaz-Martínez Ignacio , de Valais Silvina , Cónsole-Gonella Carlos
Published: August 2018

The Los Menucos locality in Patagonia, Argentina, bears a well-known ichnofauna mostly documented by small therapsid footprints. Within this ichnofauna, large pentadactyl footprints are also represented but to date were relatively underinvestigated. These footprints are here analyzed and discussed based on palaeobiological indications (i.e., trackmaker identification). High resolution digital photogrammetry method was performed to achieve a more objective representation of footprint three-dimensional morphologies. The footprints under study are compared withPentasauropusfrom the Upper Triassic lower Elliot Formation (Stormberg Group) of the Karoo Basin (Lesotho, southern Africa). Some track features suggest a therapsid-grade synapsid as the potential trackmaker, to be sought among anomodont dicynodonts (probably Kannemeyeriiformes). While the interpretation of limb posture in the producer ofPentasauropustracks from the Los Menucos locality agrees with those described from the dicynodont body fossil record, the autopodial posture does not completely agree. The relative distance between the impression of the digital (ungual) bases and the distal edge of the pad trace characterizing the studied tracks likely indicates a subunguligrade foot posture (i.e., standing on the last and penultimate phalanges) in static stance, but plantiportal (i.e., the whole foot skeleton and related soft tissues are weight-bearing) during the dynamics of locomotion. The reconstructed posture might have implied an arched configuration of the articulated metapodials and at least of the proximal phalanges, as well as little movement capabilities of the metapodials. Usually, a subunguligrade-plantiportal autopod has been described for gigantic animals (over six hundreds kilograms of body weight) to obtain an efficient management of body weight. Nevertheless, this kind of autopod is described here for large but not gigantic animals, as the putative trackmakers ofPentasauropuswere. This attribution implies that such an autopodial structure was promoted independently from the body size in the putative trackmakers. From an evolutionary point of view, subunguligrade-plantiportal autopods not necessarily must be related with an increase in body size, but rather the increase in body size requires a subunguligrade or unguligrade, plantiportal foot. Chronostratigraphically,Pentasauropuswas reported from Upper Triassic deposits of South Africa and United States, and from late Middle Triassic and Upper Triassic deposits of Argentina. Based on the stratigraphic distribution of the ichnogenus currently accepted, a Late Triassic age is here proposed for thePentasauropus-bearing levels of the Los Menucos Group.
Mate availability does not influence mating strategies in males of the sexually cannibalistic spiderArgiope bruennichi
Authors: Cory Anna-Lena , Schneider Jutta M.
Published: August 2018

Background

Sexual selection theory predicts that male investment in a current female should be a function of female density and male competition. While many studies have focused on male competition, the impact of female density on male mating investment has been widely neglected. Here, we aimed to close this gap and tested effects of mate density on male mating decisions in the orb-web spiderArgiope bruennichi. Males of this species mutilate their genitalia during copulation, which reduces sperm competition and limits their mating rate to a maximum of two females (bigyny). The mating rate is frequently further reduced by female aggression and cannibalization. Males can reduce the risk of cannibalism if they jump off the female in time, but will then transfer fewer sperm. An alternative solution of this trade-off is to copulate longer, commit self-sacrifice and secure higher minimal paternity. The self-sacrificial strategy may be adaptive if prospective mating chances are uncertain. InA. bruennichi, this uncertainty may arise from quick changes in population dynamics. Therefore, we expected that males would immediately respond to information about low or high mate availability and opt for self-sacrifice after a single copulation under low mate availability. If male survival depends on information about prospective mating chances, we further predicted that under high mate availability, we would find a higher rate of males that leave the first mating partner to follow a bigynous mating strategy.

Method

We used naïve males and compared their mating decisions among two treatments that differed in the number of signalling females. In the high mate availability treatment, males perceived pheromone signals from four adult, virgin females, while in the low mate availability treatment only one of four females was adult and virgin and the other three were penultimate and unreceptive.

Results

Males took more time to start mate searching if mate availability was low. However, a self-sacrificial strategy was not more likely under low mate availability. We found no effects of treatment on the duration of copulation, the probability to survive the first copulation or the probability of bigyny. Interestingly, survival chances depended on male size and were higher in small males.

Discussion

Our results do not support the hypothesis that mate density variation affects male mating investment, although they clearly perceived mate density, which they presumably assessed by pheromone quantity. One reason for the absence of male adjustments to mating tactics could be that adaptations to survive female attacks veil adaptations that facilitate mating decisions.
Profile and clinical implication of circular RNAs in human papillary thyroid carcinoma
Authors: Ren Huihui , Liu Zhelong , Liu Siyue , Zhou Xinrong , Wang Hong , Xu Jinchao , Wang Daowen , Yuan Gang
Published: August 2018

Background

Differently expressed circular RNAs (circRNAs) have been reported to play a considerable role in tumor behavior; however, the expression profile and biological function of circRNAs in papillary thyroid carcinoma (PTC) remains unknown. Thus, the study was aimed to characterize the circRNA expression profile to comprehensively understand the biological behavior of PTC.

Methods

We investigated the expression profile of circRNAs using circRNA microarray in three pairs of PTC and adjacent normal tissues. Quantitative real-time reverse transcription polymerase chain reaction (qRT-PCR) was used to validate eight candidate circRNAs in 40 paired PTC tumors and adjacent normal samples. Next, we employed a bioinformatics tool to identify putative miRNA and circRNA-associated downstream genes, followed by constructing a network map of circRNA-miRNA-mRNA interactions and exploring the potential role of the candidate circRNAs.

Results

In total, 206 up- and 177 downregulated circRNAs were identified in PTC tissues (fold change >1.5; P < 0.05). The expression levels of eight candidate circRNAs confirmed by qRT-PCR were significantly different between the PTC and normal samples. The downstream genes of candidate circRNAs participated in various biological processes and signaling pathways. The most up and downregulated circRNAs were hsa_circRNA_007148 and hsa_circRNA_047771. The lower expression level of hsa_circRNA_047771 was associated BRAFV600 mutation, lymph node metastasis (LNM), as well as with advanced TNM stage (all P < 0.05). The higher expression level of hsa_circRNA_007148 was significantly correlated with LNM (P < 0.05). The areas under receiver operating curve were 0.876 (95% CI [0.78–0.94]) for hsa_circRNA_047771 and 0.846 (95% CI [0.75–0.96]) for hsa_circRNA_007148.

Discussion

The study suggests that dysregulated circRNAs play a critical role in PTC pathogenesis. PTC-related hsa_circRNA_047771 and hsa_circRNA_007148 may serve as potential diagnostic biomarkers and prognostic predictors for PTC patients.
Incidental catch of loggerhead sea turtles (Caretta caretta) along the Sicilian coasts by longline fishery
Authors: Caracappa Santo , Persichetti Maria Flaminia , Piazza Antonio , Caracappa Giulia , Gentile Antonino , Marineo Sandra , Crucitti Daniela , Arculeo Marco
Published: August 2018

It has been estimated that 44,000 Caretta caretta turtles die every year due to anthropomorphic activity in the Mediterranean Sea, and that longline fishing is one of the most significant causes of mortality. A total of 482 specimens of C. caretta were rescued from different parts of the Sicilian coast (Mediterranean Sea) from 2014 to 2016. The most numerous stranding was recorded during the spring and summer seasons, mainly along the north and eastern coasts of Sicily. The curved carapace length for all the specimens ranged from between 19 and 95 cm and most of these were young or sub adults. The highest number of strandings was recorded in 2014 and 2015, with 206 and 169 individuals, respectively. A total of 66 live specimens out of 239 were successfully rehabilitated and released after surgery or drug therapy; fishing hooks were found in 129 specimens in different parts of the digestive tract with greater frequency in the oesophagus (47.3%) followed by the gut (24.8%), stomach (14.7%), and mouth (13.2%). This paper will highlight the incidence of the incidental catch by longline fishing of C. caretta along the Sicilian coasts and also relate the size of ingested hooks to the size of examined specimens.
Are some individuals generally more behaviorally plastic than others? An experiment with sailfin mollies
Authors: Gibelli Julie , Aubin-Horth Nadia , Dubois Frédérique
Published: August 2018

Individuals within the same population generally differ among each other not only in their behavioral traits but also in their level of behavioral plasticity (i.e., in their propensity to modify their behavior in response to changing conditions). If the proximate factors underlying individual differences in behavioral plasticity were the same for any measure of plasticity, as commonly assumed, one would expect plasticity to be repeatable across behaviors and contexts. However, this assumption remains largely untested. Here, we conducted an experiment with sailfin mollies (Poecilia latipinna) whose behavioral plasticity was estimated both as the change in their personality traits or mating behavior across a social gradient and using their performance on a reversal-learning task. We found that the correlations between pairwise measures of plasticity were weak and non-significant, thus indicating that the most plastic individuals were not the same in all the tests. This finding might arise because either individuals adjust the magnitude of their behavioral responses depending on the benefits of plasticity, and/or individuals expressing high behavioral plasticity in one context are limited by neural and/or physiological constraints in the amount of plasticity they can express in other contexts. Because the repeatability of behavioral plasticity may have important evolutionary consequences, additional studies are needed to assess the importance of trade-offs between conflicting selection pressures on the maintenance of intra-individual variation in behavioral plasticity.
Phosphorylation of translation initiation factor eIF2α at Ser51 depends on site‐ and context‐specific information
Authors: Uppala Jagadeesh Kumar , Ghosh Chandrima , Sathe Leena , Dey Madhusudan
Published: August 2018

Protein kinases phosphorylate specific amino acid residues of substrate proteins and regulate many cellular processes. Specificity for phosphorylation depends on the accessibility of these residues, and more importantly, kinases have preferences for certain residues flanking the phospho‐acceptor site. Translation initiation factor 2α [eukaryotic translation initiation factor 2α (eIF2α)] kinase phosphorylates serine51 (Ser51) of eIF2α and downregulates cellular protein synthesis. Structural information on eIF2α reveals that Ser51 is located within a flexible loop, referred to as the Ser51 loop. Recently, we have shown that conformational change of the Ser51 loop increases the accessibility of Ser51 to the kinase active site for phosphorylation. Here, we show that the specificity of Ser51 phosphorylation depends largely on its relative position in the Ser51 loop and minimally on the flanking residues.
Importance of Val567 on heme environment and substrate recognition of neuronal nitric oxide synthase
Authors: Olsbu Inger K. , Zoppellaro Giorgio , Andersson K. Kristoffer , Boucher Jean‐Luc , Hersleth Hans‐Petter
Published: August 2018

Nitric oxide (NO) produced by mammalian nitric oxide synthases (mNOSs) is an important mediator in a variety of physiological functions. Crystal structures of mNOSs have shown strong conservation of the active‐site residue Val567 (numbering for rat neuronal NOS, nNOS). NOS‐like proteins have been identified in several bacterial pathogens, and these display striking sequence identity to the oxygenase domain of mNOS (NOSoxy), with the exception of a Val to Ile mutation at the active site. Preliminary studies have highlighted the importance of this Val residue in NO‐binding, substrate recognition, and oxidation in mNOSs. To further elucidate the role of this valine in substrate and substrate analogue recognition, we generated five Val567 mutants of the oxygenase domain of the neuronal NOS (nNOSoxy) and used UV‐visible and EPR spectroscopy to investigate the effects of these mutations on the heme distal environment, the stability of the heme‐FeII‐CO complexes, and the binding of a series of substrate analogues. Our results are consistent with Val567 playing an important role in preserving the integrity of the active site for substrate binding, stability of heme‐bound gaseous ligands, and potential NO production.
A Facile Preparative Route of Nanoscale Perovskites over Mesoporous Metal Oxide Films and Their Applications to Photosensitizers and Light Emitters
Authors: Lee Hyo Joong , Cho Kyung Taek , Paek Sanghyun , Lee Yonghui , Huckaba Aron J. , Queloz Valentin I. E. , Zimmermann Iwan , Grancini Giulia , Oveisi Emad , Yoo So‐Min , Lee Seul‐Yi , Shin Taeho , Kim Myoung , Nazeeruddin Mohammad Khaja
Published: August 2018

By two‐step sequential Pb2+ adsorption and reaction with methylammonium‐iodide (MAI) or ‐bromide (MABr) at a low concentration level of 0.06–0.10 m over mesoporous TiO2 or ZrO2 film, a well‐defined nanoscale CH3NH3PbI3 (MAPbI3) photosensitizer or CH3NH3PbBr3 (MAPbBr3) light emitter could be prepared in situ, respectively in a reproducible and atom‐economical way. The as‐prepared nanoscale perovskites are compared with their thin film counterparts in terms of light absorption/emission, crystallinity, surface morphology, and energy‐conversion efficiency. The nanoscale perovskite‐decorated films display more transparency than the bulky film due to the much lower amount deposited, while blueshifted and overwhelmingly brighter photoluminescence is observed in the “nano” relative to the “bulk” due to quantum size confinement. Transmission electron microscopy images also clearly show that a few nanometer‐sized perovskite dots are deposited homogeneously over the surface of TiO2‐ or ZrO2‐particulate film in the course of the current preparative route. When the nano‐MAPbI3 is tested as a photosensitizer in a solid‐state dye‐sensitized solar cell configuration with a very thin (≈650 nm) TiO2 mesoporous film, it has a promising initial power conversion efficiency of 6.23%, which outperformed the result of 2.28% from a typical organic molecular dye coded as MK‐2.
Semiconducting Photosensitizer‐Incorporated Copolymers as Near‐Infrared Afterglow Nanoagents for Tumor Imaging
Authors: Cui Dong , Xie Chen , Li Jingchao , Lyu Yan , Pu Kanyi
Published: August 2018

The fact that cancer metastasis is the main cause of death for most cancer patients necessitates the development of imaging tools for sensitive detection of metastases. Although optical imaging has high temporospatial resolution, tissue autofluorescence compromises the sensitivity for in vivo imaging of cancer metastasis. Herein, the synthesis of a series of photosensitizer‐incorporated poly(p‐phenylenevinylene)‐based semiconducting copolymers and their utility as near‐infrared (NIR) afterglow imaging nanoagents that emit light after cessation of light irradiation are reported. As compared with nondoped nanoparticles, the nanoparticles derived from the photosensitizer‐incorporated copolymers have red‐shifted NIR luminescence and amplified afterglow signals, allowing the detection of tiny peritoneal metastatic tumors almost invisible to naked eye. Moreover, the intrinsic oxygen‐sensitive nature of afterglow makes those nanoagents potentially useful for in vivo imaging of oxygen levels. Thus, this study introduces a generation of light‐excitation‐free background‐minimized optical imaging agents for the sensitive detection of diseased tissues in vivo.
Solution‐Based Micro‐ and Nanoscale Metal Oxide Structures Formed by Direct Patterning for Electro‐Optical Applications
Authors: Yeh Chun‐Cheng , Zan Hsiao‐Wen , Soppera Olivier
Published: August 2018

Due to their transparency and tunable electrical, optical, and magnetic properties, metal oxide thin films and structures have many applications in electro‐optical devices. In recent years, solution processing combined with direct‐patterning techniques such as micro‐/nanomolding, inkjet printing, e‐jet printing, e‐beam writing, and photopatterning has drawn much attention because of the inexpensive and simple fabrication process that avoids using capital‐intensive vacuum deposition systems and chemical etching. Furthermore, practical applications of solution direct‐patterning techniques with metal oxide structures are demonstrated in thin‐film transistors and biochemical sensors on a wide range of substrates. Since direct‐patterning techniques enable low‐cost fabrication of nanoscale metal oxide structures, these methods are expected to accelerate the development of nanoscale devices and systems based on metal oxide components in important application fields such as flexible electronics, the Internet of Things (IoT), and human health monitoring. Here, a review of the fabrication procedures, advantages, limitations, and applications of the main direct‐patterning methods for making metal oxide structures is presented. The goal is to highlight the examples with the most promising perspective from the recent literature.
Electron Mobility of 24 cm2 V−1 s−1 in PbSe Colloidal‐Quantum‐Dot Superlattices
Authors: Balazs Daniel M. , Matysiak Bartosz M. , Momand Jamo , Shulga Artem G. , Ibáñez Maria , Kovalenko Maksym V. , Kooi Bart J. , Loi Maria Antonietta
Published: August 2018

Colloidal quantum dots (CQDs) are nanoscale building blocks for bottom‐up fabrication of semiconducting solids with tailorable properties beyond the possibilities of bulk materials. Achieving ordered, macroscopic crystal‐like assemblies has been in the focus of researchers for years, since it would allow exploitation of the quantum‐confinement‐based electronic properties with tunable dimensionality. Lead‐chalcogenide CQDs show especially strong tendencies to self‐organize into 2D superlattices with micrometer‐scale order, making the array fabrication fairly simple. However, most studies concentrate on the fundamentals of the assembly process, and none have investigated the electronic properties and their dependence on the nanoscale structure induced by different ligands. Here, it is discussed how different chemical treatments on the initial superlattices affect the nanostructure, the optical, and the electronic‐transport properties. Transistors with average two‐terminal electron mobilities of 13 cm2 V−1 s−1 and contactless mobility of 24 cm2 V−1 s−1 are obtained for small‐area superlattice field‐effect transistors. Such mobility values are the highest reported for CQD devices wherein the quantum confinement is substantially present and are comparable to those reported for heavy sintering. The considerable mobility with the simultaneous preservation of the optical bandgap displays the vast potential of colloidal QD superlattices for optoelectronic applications.
High‐Efficiency, Solution‐Processed White Quantum Dot Light‐Emitting Diodes with Serially Stacked Red/Green/Blue Units
Authors: Cao Fan , Zhao Dewei , Shen Piaoyang , Wu Jialong , Wang Haoran , Wu Qianqian , Wang Feijiu , Yang Xuyong
Published: August 2018

Despite the fast advances in monochrome quantum dots (QDs) based light‐emitting diodes (QLEDs), the performance for white QLEDs (WQLEDs) with great potential for illumination and backlight applications to date has fallen short of that of state‐of‐the‐art white organic LEDs. Here, a highly efficient all‐solution‐processed WQLED with a serially stacked red/green/blue tandem structure, which displays an almost perfect white emission with the Commission Internationale de l'Enclairage coordinates of (0.34, 0.33) is reported. The white device exhibits peak current efficiency of 79.9 cd A−1 and external quantum efficiency of 28.0%, which are the highest efficiency values ever reported in WQLEDs. The record performance for the WQLEDs is achieved by the effective interconnecting layer with excellent charge generation and the insertion of a polyethylenimine ethoxylated interlayer between the ZnO electron transport layer and QDs emissive layer in each unit for better balancing charge injection and suppressing the quenching of QDs emission due to the contact with ZnO.
Boosting the Activity of Ligand‐on Atomically Precise Pd3Cl Cluster Catalyst by Metal‐Support Interaction from Kinetic and Thermodynamic Aspects
Authors: Yun Yapei , Sheng Hongting , Yu Jie , Bao Linquan , Du Yuanxin , Xu Fengqing , Yu Haizhu , Li Peng , Zhu Manzhou
Published: August 2018

Atomically precise nanoclusters (APNCs), as ideal model catalysts, revealed great advantages to deep‐understand of reaction mechanisms in heterogeneous catalysis. Boosting the activity of APNCs is the most critical issue under the premise of maintaining structure invariance. Herein, utilizing Metal‐Support Interaction (MSI) strategy, we prepared an excellent and recyclable catalyst for aerobic oxidation by combination of an otherwise inert nanocluster [Pd3Cl(PPh2)2(PPh3)3]+[SbF6]− (denoted as Pd3Cl) with functional titanate nanotubes (TNT). The promising Pd3Cl/TNT composite gives rise to excellent conversion with 100% selectivity without any additives at 30 °C under an oxygen pressure. This result is unprecedented in ligand‐on nanocluster catalysts without high temperature calcination. The distinct difference between their activities of Pd3Cl/TNT composite and fresh Pd3Cl nanocluster is explained by the presence of the MSI effect, as confirmed using X‐ray photoelectron spectroscopy (XPS) analysis. Theoretical simulations are further carried out to elucidate the catalytic mechanism, indicating the MSI effect promotes the crucial β‐H elimination step in both kinetic and thermodynamic aspects. This work presents the example of atomic‐level understanding of the effect of MSI on facilitating the APNCs catalytic properties.

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Blending Electronics with the Human Body: A Pathway toward a Cybernetic Future
Authors: Mehrali Mehdi , Bagherifard Sara , Akbari Mohsen , Thakur Ashish , Mirani Bahram , Mehrali Mohammad , Hasany Masoud , Orive Gorka , Das Paramita , Emneus Jenny , Andresen Thomas L. , Dolatshahi‐Pirouz Alireza
Published: August 2018

At the crossroads of chemistry, electronics, mechanical engineering, polymer science, biology, tissue engineering, computer science, and materials science, electrical devices are currently being engineered that blend directly within organs and tissues. These sophisticated devices are mediators, recorders, and stimulators of electricity with the capacity to monitor important electrophysiological events, replace disabled body parts, or even stimulate tissues to overcome their current limitations. They are therefore capable of leading humanity forward into the age of cyborgs, a time in which human biology can be hacked at will to yield beings with abilities beyond their natural capabilities. The resulting advances have been made possible by the emergence of conformal and soft electronic materials that can readily integrate with the curvilinear, dynamic, delicate, and flexible human body. This article discusses the recent rapid pace of development in the field of cybernetics with special emphasis on the important role that flexible and electrically active materials have played therein.
An Intravascular Magnetic Catheter Enables the Retrieval of Nanoagents from the Bloodstream
Authors: Iacovacci Veronica , Ricotti Leonardo , Sinibaldi Edoardo , Signore Giovanni , Vistoli Fabio , Menciassi Arianna
Published: August 2018

The clinical adoption of nanoscale agents for targeted therapy is still hampered by the quest for a balance between therapy efficacy and side effects on healthy tissues, due to nanoparticle biodistribution and undesired drug accumulation issues. Here, an intravascular catheter able to efficiently retrieve from the bloodstream magnetic nanocarriers not contributing to therapy, thus minimizing their uncontrollable dispersion and consequently attenuating possible side effects, is proposed. The device consists of a miniature module, based on 27 permanent magnets arranged in two coaxial series, integrated into a clinically used 12 French catheter. This device can capture ≈94% and 78% of the unused agents when using as carriers 500 and 250 nm nominal diameter superparamagnetic iron oxide nanoparticles, respectively. This approach paves the way to the exploitation of new “high‐risk/high‐gain” drug formulations and supports the development of novel therapeutic strategies based on magnetic hyperthermia or magnetic microrobots.
Light‐Controllable Digital Coding Metasurfaces
Authors: Zhang Xin Ge , Tang Wen Xuan , Jiang Wei Xiang , Bai Guo Dong , Tang Jian , Bai Lin , Qiu Cheng‐Wei , Cui Tie Jun
Published: August 2018

Since the advent of digital coding metamaterials, a new paradigm is unfolded to sample, compute and program electromagnetic waves in real time with one physical configuration. However, one inconvenient truth is that actively tunable building blocks such as diodes, varactors, and biased lines must be individually controlled by a computer‐assisted field programmable gate array and physically connected by electrical wires to the power suppliers. This issue becomes more formidable when more elements are needed for more advanced and multitasked metadevices and metasystems. Here, a remote‐mode metasurface is proposed and realized that is addressed and tuned by illuminating light. By tuning the intensity of light‐emitting diode light, a digital coding metasurface composed of such light‐addressable elements enables dynamically reconfigurable radiation beams in a control‐circuitry‐free way. Experimental demonstration is validated at microwave frequencies. The proposed dynamical remote‐tuning metasurface paves a way for constructing unprecedented digital metasurfaces in a noncontact remote fashion.
Lewis‐Adduct Mediated Grain‐Boundary Functionalization for Efficient Ideal‐Bandgap Perovskite Solar Cells with Superior Stability
Authors: Zong Yingxia , Zhou Zhongmin , Chen Min , Padture Nitin P. , Zhou Yuanyuan
Published: August 2018

State‐of‐the‐art perovskite solar cells (PSCs) have bandgaps that are invariably larger than 1.45 eV, which limits their theoretically attainable power conversion efficiency. The emergent mixed‐(Pb, Sn) perovskites with bandgaps of 1.2–1.3 eV are ideal for single‐junction solar cells according to the Shockley–Queisser limit, and they have the potential to deliver higher efficiency. Nevertheless, the high chemical activity of Sn(II) in these perovskites makes it extremely challenging to control their physical properties and chemical stability, thereby leading to PSCs with relatively low PCE and stability. In this work, the authors employ the Lewis‐adduct SnF2·3FACl additive in the solution‐processing of ideal‐bandgap halide perovskites (IBHPs), and prepare uniform large‐grain perovskite thin films containing continuously functionalized grain boundaries with the stable SnF2 phase. Such Sn(II)‐rich grain‐boundary networks significantly enhance the physical properties and chemical stability of the IBHP thin films. Based on this approach, PSCs with an ideal bandgap of 1.3 eV are fabricated with a promising efficiency of 15.8%, as well as enhanced stability. The concept of Lewis‐adduct‐mediated grain‐boundary functionalization in IBHPs presented here points to a new chemical route for approaching the Shockley–Queisser limit in future stable PSCs.
Quantum chemistry calculation aided design of chiral ionic liquid‐based extraction system for amlodipine separation
Authors: Ding Qi , Cui Xing , Xu Guo‐Hua , He Chao‐Hong , Wu Ke‐Jun
Published: August 2018

Amlodipine is a widely used medication in treating hypertension, which is also known as a chiral compound. So far efforts have been made to obtain optically pure (S)‐amlodipine because (R)‐amlodipine has poor efficacy and is related to undesirable side effects. However, the available separation methods for amlodipine are still unsatisfactory. Recently, chiral separation has become a promising application of chiral ionic liquids (CILs), because the structural designability enables them adjustable separation efficiency for specific tasks. In this work, a high‐efficient CIL‐based liquid–liquid extraction system was developed for racemic amlodipine separation with the assistance of quantum chemistry calculations. Enantioselectivity up to 1.35 achieved by the novel system at 298.15 K is significantly higher than other available extraction systems. Moreover, the recycling of CIL can be easily realized by backward extraction of amlodipine, which is important for the industrial application of CILs. © 2018 American Institute of Chemical Engineers AIChE J, 64: 4080–4088, 2018
A model for drop and bubble breakup frequency based on turbulence spectra
Authors: Lalanne Benjamin , Masbernat Olivier , Risso Frédéric
Published: August 2018

In this article, a new Eulerian model for breakup frequency of drops induced by inertial stress in homogeneous isotropic turbulence is developed for moderately viscous fluids, accounting for the finite response time of drops to deform. The dynamics of drop shape in a turbulent flow is described by a linear damped oscillator forced by the instantaneous turbulent fluctuations at the drop scale. The criterion for breakup is based on a maximum value of drop deformation, in contrast with the usual critical Weber criterion. The breakup frequency is then modeled as a function of the power spectrum of Weber number (or velocity square), based on the theory of oscillators forced by a random signal, which can be related to classical statistical quantities, such as dissipation rate and velocity variance. Moreover, the effect of viscosities of both phases is included in the breakup frequency model without resorting to any additional parameter. © 2018 American Institute of Chemical Engineers AIChE J, 65: 347–359, 2019
Exploring relationships between joint hypermobility and neurodevelopment in children (4–13 years) with hereditary connective tissue disorders and developmental coordination disorder
Authors: Piedimonte Caterina , Penge Roberta , Morlino Silvia , Sperduti Isabella , Terzani Andrea , Giannini Maria Teresa , Colombi Marina , Grammatico Paola , Cardona Francesco , Castori Marco
Published: August 2018

Joint hypermobility (JH) is a common, though largely ignored physical trait with increasing clinical reverberations. A few papers suggest a link between JH and selected neurodevelopmental disorders, such as developmental coordination disorder (DCD). JH is also the hallmark of various hereditary connective tissue disorders (HCTDs). Children with HCTDs may present abnormal neurodevelopment but its manifestations remain undetermined. This study examined 23 children (group 1), aged 4–13 years, with different HCTDs (i.e., 19 with hypermobile Ehlers‐Danlos syndrome (EDS)/hypermobility spectrum disorder, 3 with molecularly confirmed classical EDS, and 1 with Loeys‐Dietz syndrome type 1 due to TGFBR2 mutation) and 23, age‐ and sex‐matched children with DCD (group 2). All underwent 14 different psychometric tests exploring motor, cognitive, executive‐attentive, and emotional‐behavior features. In group 1, 30%, 22%, and 13% patients presented DCD (with or without dysgraphia), learning disabilities, and attention deficit‐hyperactivity disorder, respectively. None had cognitive delay. In group 2, 17% patients presented generalized JH and none had HCTDs. DCD children presented more motor and coordination troubles than HCTDs patients, while quality of life of children with HCTDs resulted more deteriorated due to somatic manifestations and behavioral traits. This study presents the full overview of neurodevelopmental attributes in HCTDs, and compares with standardized tools the neurodevelopmental profile of children with DCD and HCTDs. While the high rate of neurodevelopmental comorbidities in HCTDs deserves attention, the impact of a dysfunctional connective tissue in children with a primary diagnosis of DCD needs more research.
Somatic Depdc5 deletion recapitulates electroclinical features of human focal cortical dysplasia type IIA
Authors: Hu Shuntong , Knowlton Robert C. , Watson Brendon O. , Glanowska Katarzyna M. , Murphy Geoffrey G. , Parent Jack M. , Wang Yu
Published: August 2018

Epileptogenic mechanisms in focal cortical dysplasia (FCD) remain elusive, as no animal models faithfully recapitulate FCD seizures, which have distinct electrographic features and a wide range of semiologies. Given that DEPDC5 plays significant roles in focal epilepsies with FCD, we used in utero electroporation with clustered regularly interspaced short palindromic repeats gene deletion to create focal somatic Depdc5 deletion in the rat embryonic brain. Animals developed spontaneous seizures with focal pathological and electroclinical features highly clinically relevant to FCD IIA, paving the way toward understanding its pathogenesis and developing mechanistic‐based therapies. Ann Neurol 2018;83:140–146
A Supramolecular Crosslinker To Give Salt‐Resistant Polyion Complex Micelles and Improved MRI Contrast Agents
Authors: Wang Jiahua , Wang Junyou , Ding Peng , Zhou Wenjuan , Li Yuehua , Drechsler Markus , Guo Xuhong , Cohen Stuart Martien A.
Published: August 2018

Three‐component mixtures (diblock copolymer/metal ion/oligoligand) can assemble into micellar particles owing to a combination of supramolecular polymerization and electrostatic complex formation. Such particles cover a large range of compositions, but the electrostatic forces keeping them together make them rather susceptible to disintegration by added salt. Now it is shown how the salt stability can be tuned continuously by employing both a bis‐ligand and a tris‐ligand, and varying the ratio of these in the mixture. For magnetic ions such as MnII and FeIII, the choice of the multiligand also affects the ion/water interaction and, hence, the magnetic relaxivity. As an example, MnII‐based nanoparticles with a very high longitudinal relaxivity (10.8 mm−1 s−1) were investigated that are not only biocompatible but also feature strong contrast enhancement in target organs (liver, kidney), as shown by T1‐weighted in vivo magnetic resonance imaging (MRI).
Global Aromaticity in Macrocyclic Cyclopenta‐Fused Tetraphenanthrenylene Tetraradicaloid and Its Charged Species
Authors: Lu Xuefeng , Gopalakrishna Tullimilli Y. , Phan Hoa , Herng Tun Seng , Jiang Qing , Liu Chunchen , Li Guangwu , Ding Jun , Wu Jishan
Published: August 2018

A stable cyclopenta‐fused tetraphenanthrenylene macrocycle, CPTP‐M, was synthesized, and the structure was confirmed by X‐ray crystallographic analysis. It exhibits a large radical character (number of unpaired electron, NU=3.52) and a small singlet–triplet energy gap (ΔES‐T=−2.8 kcal mol−1 by SQUID). Its backbone contains 60 ([4n]) conjugated π electrons and is globally antiaromatic. NMR measurements and theoretical calculations revealed that its dication/dianion is globally aromatic owing to the existence of [4n−2]/[4n+2] π‐conjugated electrons. Remarkably, the ring‐current map of the tetraanion shows a unique ring‐in‐ring structure, with a diamagnetic outer ring and a paramagnetic inner ring. Accordingly, both the inner‐rim and outer‐rim protons are deshielded in its 1H NMR spectrum. The tetraanion can be regarded as an isoelectronic structure of the known octulene, which shows similar electronic properties.
All‐Inorganic CsPb1−xGexI2Br Perovskite with Enhanced Phase Stability and Photovoltaic Performance
Authors: Yang Fu , Hirotani Daisuke , Kapil Gaurav , Kamarudin Muhammad Akmal , Ng Chi Huey , Zhang Yaohong , Shen Qing , Hayase Shuzi
Published: August 2018

Compared with organic‐inorganic perovskites, all‐inorganic cesium‐based perovskites without volatile organic compounds have gained extensive interests because of the high thermal stability. However, they have a problem on phase transition from cubic phase (active for photo‐electric conversion) to orthorhombic phase (inactive for photo‐electric conversion) at room temperature, which has hindered further progress. Herein, novel inorganic CsPb1−xGexI2Br perovskites were prepared in humid ambient atmosphere without a glovebox. The phase stability of the all‐inorganic perovskite was effectively enhanced after germanium addition. In addition, the highest power conversion efficiency of 10.8 % with high open‐circuit voltage (VOC) of 1.27 V in a planar solar cell based on CsPb0.8Ge0.2I2Br perovskite was achieved. Furthermore, the highest VOC up to 1.34 V was obtained by CsPb0.7Ge0.3I2Br perovskite, which is a remarkable record in the field of all‐inorganic perovskite solar cells. More importantly, all the photovoltaic parameters of CsPb0.8Ge0.2I2Br perovskite solar cells showed nearly no decay after 7 h measurement in 50–60 % relative humidity without encapsulation.
Synthesis of Fucosylated Chondroitin Sulfate Nonasaccharide as a Novel Anticoagulant Targeting Intrinsic Factor Xase Complex
Authors: Zhang Xiao , Liu Huiying , Lin Lisha , Yao Wang , Zhao Jinhua , Wu Mingyi , Li Zhongjun
Published: August 2018

Fucosylated chondroitin sulfate (FuCS) is a structurally distinct glycosaminoglycan, and its oligosaccharides exhibit excellent anticoagulant activity with lower risks of adverse effects and bleeding. Herein we report a facile approach to the synthesis of FuCS hexa‐ and nonasaccharides on the basis of the enzymatic degradation of chondroitin over 12 linear steps. As compared with a clinical low‐molecular‐weight heparin drug (enoxaparin), the nonasaccharide synthesized in this study displayed similar APTT activity and selective intrinsic factor Xase complex inhibitory activity ((12.9±0.83) nm) by binding to factor IXa with high affinity, thus offering promise for the development of new anticoagulant agents targeting the intrinsic coagulation pathway.
Metallaphotoredox Difluoromethylation of Aryl Bromides
Authors: Bacauanu Vlad , Cardinal Sébastien , Yamauchi Motoshi , Kondo Masaru , Fernández David F. , Remy Richard , MacMillan David W. C.
Published: August 2018

Herein, we report a convenient and broadly applicable strategy for the difluoromethylation of aryl bromides by metallaphotoredox catalysis. Bromodifluoromethane, a simple and commercially available alkyl halide, is harnessed as an effective source of difluoromethyl radical by silyl‐radical‐mediated halogen abstraction. The merger of this fluoroalkyl electrophile activation pathway with a dual nickel/photoredox catalytic platform enables the difluoromethylation of a diverse array of aryl and heteroaryl bromides under mild conditions. The utility of this procedure is showcased in the late‐stage functionalization of several drug analogues.
Reductions in child mortality by preventing spina bifida and anencephaly: Implications in achieving Target 3.2 of the Sustainable Development Goals in developing countries
Authors: Kancherla Vijaya , Redpath Ben , Oakley Godfrey P.
Published: August 2018

Background

There is an opportunity to reduce child mortality by preventing folic acid‐preventable spina bifida and anencephaly (FAP SBA) in developing countries. We estimated reductions in FAP SBA‐associated child mortality in 69 countries with an immediate potential for mandatory fortification of wheat flour.

Methods

Using data from multiple sources, we estimated the percent reductions in neonatal, infant, and under‐five mortality that would have occurred by preventing FAP SBA; and the contributions of these reductions toward each country's Sustainable Development Goals (SDG) for child mortality reduction. We used the combined prevalence of spina bifida and anencephaly in selected countries before fortification, and estimated preventable child mortality associated with FAP SBA, assuming 0.5 per 1,000 live births as minimum achievable prevalence from mandatory fortification.

Results

Annually, 56,785 live births with FAP SBA occurred in the 69 countries examined. Of these, about 49,680 (87%) would have resulted in deaths under age 5 years, and are preventable through mandatory folic acid fortification. On average, compared to current rates, prevention of FAP SBA would have reduced the neonatal, infant, and under‐five mortality by 19% (95% uncertainty interval [UI]: 16–24%), 15% (UI: 13–17%), and 14%, (95% UI: 13–17%), respectively. Prevention of FAP SBA seemed to contribute toward achieving SDG on neonatal and under‐five mortality in developing countries.

Conclusions

Prevention of FAP SBA will lead to notable and immediate reductions in child mortality. Many countries have an opportunity to effectively move toward child mortality‐related SDG targets with existing milling infrastructure for food fortification.
Predicting risk of rupture and rupture-preventing reinterventions following endovascular abdominal aortic aneurysm repair
Authors: Grootes I , Barrett J K , Ulug P , Rohlffs F , Laukontaus S J , Tulamo R , Venermo M , Greenhalgh R M , Sweeting M J
Published: August 2018

Background

Clinical and imaging surveillance practices following endovascular aneurysm repair (EVAR) for intact abdominal aortic aneurysm (AAA) vary considerably and compliance with recommended lifelong surveillance is poor. The aim of this study was to develop a dynamic prognostic model to enable stratification of patients at risk of future secondary aortic rupture or the need for intervention to prevent rupture (rupture-preventing reintervention) to enable the development of personalized surveillance intervals.

Methods

Baseline data and repeat measurements of postoperative aneurysm sac diameter from the EVAR-1 and EVAR-2 trials were used to develop the model, with external validation in a cohort from a single-centre vascular database. Longitudinal mixed-effects models were fitted to trajectories of sac diameter, and model-predicted sac diameter and rate of growth were used in prognostic Cox proportional hazards models.

Results

Some 785 patients from the EVAR trials were included, of whom 155 (19·7 per cent) experienced at least one rupture or required a rupture-preventing reintervention during follow-up. An increased risk was associated with preoperative AAA size, rate of sac growth and the number of previously detected complications. A prognostic model using predicted sac growth alone had good discrimination at 2 years (C-index 0·68), 3 years (C-index 0·72) and 5 years (C-index 0·75) after operation and had excellent external validation (C-index 0·76–0·79). More than 5 years after operation, growth rates above 1 mm/year had a sensitivity of over 80 per cent and specificity over 50 per cent in identifying events occurring within 2 years.

Conclusion

Secondary sac growth is an important predictor of rupture or rupture-preventing reintervention to enable the development of personalized surveillance intervals. A dynamic prognostic model has the potential to tailor surveillance by identifying a large proportion of patients who may require less intensive follow-up.
The General Explanation Method with NMR Spectroscopy Enables the Identification of Metabolite Profiles Specific for Normal and Tumor Cell Lines
Authors: Pečnik Klemen , Todorović Vesna , Bošnjak Maša , Čemažar Maja , Kononenko Igor , Serša Gregor , Plavec Janez
Published: August 2018

Machine learning models in metabolomics, despite their great prediction accuracy, are still not widely adopted owing to the lack of an efficient explanation for their predictions. In this study, we propose the use of the general explanation method to explain the predictions of a machine learning model to gain detailed insight into metabolic differences between biological systems. The method was tested on a dataset of 1H NMR spectra acquired on normal lung and mesothelial cell lines and their tumor counterparts. Initially, the random forests and artificial neural network models were applied to the dataset, and excellent prediction accuracy was achieved. The predictions of the models were explained with the general explanation method, which enabled identification of discriminating metabolic concentration differences between individual cell lines and enabled the construction of their specific metabolic concentration profiles. This intuitive and robust method holds great promise for in‐depth understanding of the mechanisms that underline phenotypes as well as for biomarker discovery in complex diseases.
Fluorescence Spectroscopic Insight into the Supramolecular Interactions in DNA‐Based Enantioselective Sulfoxidation
Authors: Cheng Yu , Cheng Mingpan , Hao Jingya , Jia Guoqing , Li Can
Published: August 2018

Interactions of copper(II)–bipyridine cofactors and thioanisole substrate with human telomeric G‐quadruplex DNA were studied by UV/Vis absorption, circular dichroism, and fluorescence quenching titration. Three copper(II)–bipyridine complexes are equivalently anchored to the G‐quadruplex scaffold at all five fluorescently labeled sites. Thioanisole interacts with the DNA architecture at both the second loop and 3′ terminus in the absence or presence of copper(II)–bipyridine complexes. These nonspecificities in the weak interactions of CuII complexes and thioanisole with G‐quadruplex might explain why DNA only affords a modest enantioselectivity in the oxidation of thioanisole. These findings provide insights toward the construction of highly enantioselective DNA‐based catalysts.