bluuebunny/crossref_metadata_2025 huggingface dataset:
X-ray-activated long persistent phosphors featuring strong UVC afterglow emissions
Authors: Yang Yan-Min , Li Zhi-Yong , Zhang Jun-Ying , Lu Yue , Guo Shao-Qiang , Zhao Qing , Wang Xin , Yong Zi-Jun , Li Hong , Ma Ju-Ping , Kuroiwa Yoshihiro , Moriyoshi Chikako , Hu Li-Li , Zhang Li-Yan , Zheng Li-Rong , Sun Hong-Tao
Published: November 2018

Phosphors emitting visible and near-infrared persistent luminescence have been explored extensively owing to their unusual properties and commercial interest in their applications such as glow-in-the-dark paints, optical information storage, and in vivo bioimaging. However, no persistent phosphor that features emissions in the ultraviolet C range (200–280 nm) has been known to exist so far. Here, we demonstrate a strategy for creating a new generation of persistent phosphor that exhibits strong ultraviolet C emission with an initial power density over 10 milliwatts per square meter and an afterglow of more than 2 h. Experimental characterizations coupled with first-principles calculations have revealed that structural defects associated with oxygen introduction-induced anion vacancies in fluoride elpasolite can function as electron traps, which capture and store a large number of electrons triggered by X-ray irradiation. Notably, we show that the ultraviolet C afterglow intensity of the yielded phosphor is sufficiently strong for sterilization. Our discovery of this ultraviolet C afterglow opens up new avenues for research on persistent phosphors, and it offers new perspectives on their applications in terms of sterilization, disinfection, drug release, cancer treatment, anti-counterfeiting, and beyond.
Experience with bruxism in the everyday oral implantology practice in the Netherlands: a qualitative study
Authors: Thymi Magdalini , Rollman Annemiek , Visscher Corine M. , Wismeijer Daniel , Lobbezoo Frank
Published: November 2018

Objective

To explore how bruxism is dealt with by accredited oral implantologists within daily clinical practice.

Materials and methods

Nine semi-structured interviews of oral implantologists practicing in non-academic clinical practices in the Netherlands were performed, and thematic analysis was conducted using a framework-based approach.

Results

Oral implant treatments in bruxing patients were a generally well-accepted practice. Complications were often expected, with most being of minor impact. Contradictive attitudes emerged on the topic of bruxism being an etiologic factor for peri-implant bone loss and loss of osseointegration. Views on the ideal treatment plan varied, though the importance of the superstructure’s occlusion and articulation features was repeatedly pointed at. Similarly, views on protective splints varied, regarding their necessity and material choice. Bruxism was diagnosed mainly by clinical examination, alongside with patient anamnesis and clinician’s intuition. There was little attention for awake bruxism.

Discussion

Bruxism was generally not considered a contraindication for implantological treatments by accredited oral implantologists. Views on the interaction between bruxism and bone loss/loss of osseointegration varied, as did views on the ideal treatment plan.

Conclusions

There is a need for better understanding of the extent to which, and under which circumstances, sleep and/or awake bruxism can be seen as causal factors for the occurrence of oral implant complications.
Fungal spores as a source of sodium salt particles in the Amazon basin
Authors: China Swarup , Burrows Susannah M. , Wang Bingbing , Harder Tristan H. , Weis Johannes , Tanarhte Meryem , Rizzo Luciana V. , Brito Joel , Cirino Glauber G. , Ma Po-Lun , Cliff John , Artaxo Paulo , Gilles Mary K. , Laskin Alexander
Published: November 2018

In the Amazon basin, particles containing mixed sodium salts are routinely observed and are attributed to marine aerosols transported from the Atlantic Ocean. Using chemical imaging analysis, we show that, during the wet season, fungal spores emitted by the forest biosphere contribute at least 30% (by number) to sodium salt particles in the central Amazon basin. Hydration experiments indicate that sodium content in fungal spores governs their growth factors. Modeling results suggest that fungal spores account for ~69% (31–95%) of the total sodium mass during the wet season and that their fractional contribution increases during nighttime. Contrary to common assumptions that sodium-containing aerosols originate primarily from marine sources, our results suggest that locally-emitted fungal spores contribute substantially to the number and mass of coarse particles containing sodium. Hence, their role in cloud formation and contribution to salt cycles and the terrestrial ecosystem in the Amazon basin warrant further consideration.
Winding around non-Hermitian singularities
Authors: Zhong Qi , Khajavikhan Mercedeh , Christodoulides Demetrios N. , El-Ganainy Ramy
Published: November 2018

Non-Hermitian singularities are ubiquitous in non-conservative open systems. Owing to their peculiar topology, they can remotely induce observable effects when encircled by closed trajectories in the parameter space. To date, a general formalism for describing this process beyond simple cases is still lacking. Here we develop a general approach for treating this problem by utilizing the power of permutation operators and representation theory. This in turn allows us to reveal a surprising result that has so far escaped attention: loops that enclose the same singularities in the parameter space starting from the same point and traveling in the same direction, do not necessarily share the same end outcome. Interestingly, we find that this equivalence can be formally established only by invoking the topological notion of homotopy. Our findings are general with far reaching implications in various fields ranging from photonics and atomic physics to microwaves and acoustics.
Atomic scale insights into structure instability and decomposition pathway of methylammonium lead iodide perovskite
Authors: Chen Shulin , Zhang Xiaowei , Zhao Jinjin , Zhang Ying , Kong Guoli , Li Qian , Li Ning , Yu Yue , Xu Ningan , Zhang Jingmin , Liu Kaihui , Zhao Qing , Cao Jian , Feng Jicai , Li Xinzheng , Qi Junlei , Yu Dapeng , Li Jiangyu , Gao Peng
Published: November 2018

Organic–inorganic hybrid perovskites are promising candidates for the next-generation solar cells. Many efforts have been made to study their structures in the search for a better mechanistic understanding to guide the materials optimization. Here, we investigate the structure instability of the single-crystalline CH3NH3PbI3 (MAPbI3) film by using transmission electron microscopy. We find that MAPbI3 is very sensitive to the electron beam illumination and rapidly decomposes into the hexagonal PbI2. We propose a decomposition pathway, initiated with the loss of iodine ions, resulting in eventual collapse of perovskite structure and its decomposition into PbI2. These findings impose important question on the interpretation of experimental data based on electron diffraction and highlight the need to circumvent material decomposition in future electron microscopy studies. The structural evolution during decomposition process also sheds light on the structure instability of organic–inorganic hybrid perovskites in solar cell applications.
Metastable silica high pressure polymorphs as structural proxies of deep Earth silicate melts
Authors: Bykova E. , Bykov M. , Černok A. , Tidholm J. , Simak S. I. , Hellman O. , Belov M. P. , Abrikosov I. A. , Liermann H.-P. , Hanfland M. , Prakapenka V. B. , Prescher C. , Dubrovinskaia N. , Dubrovinsky L.
Published: November 2018

Modelling of processes involving deep Earth liquids requires information on their structures and compression mechanisms. However, knowledge of the local structures of silicates and silica (SiO2) melts at deep mantle conditions and of their densification mechanisms is still limited. Here we report the synthesis and characterization of metastable high-pressure silica phases, coesite-IV and coesite-V, using in situ single-crystal X-ray diffraction and ab initio simulations. Their crystal structures are drastically different from any previously considered models, but explain well features of pair-distribution functions of highly densified silica glass and molten basalt at high pressure. Built of four, five-, and six-coordinated silicon, coesite-IV and coesite-V contain SiO6 octahedra, which, at odds with 3rd Pauling’s rule, are connected through common faces. Our results suggest that possible silicate liquids in Earth’s lower mantle may have complex structures making them more compressible than previously supposed.
Parity transitions in the superconducting ground state of hybrid InSb–Al Coulomb islands
Authors: Shen Jie , Heedt Sebastian , Borsoi Francesco , van Heck Bernard , Gazibegovic Sasa , Op het Veld Roy L. M. , Car Diana , Logan John A. , Pendharkar Mihir , Ramakers Senja J. J. , Wang Guanzhong , Xu Di , Bouman Daniël , Geresdi Attila , Palmstrøm Chris J. , Bakkers Erik P. A. M. , Kouwenhoven Leo P.
Published: November 2018

The number of electrons in small metallic or semiconducting islands is quantised. When tunnelling is enabled via opaque barriers this number can change by an integer. In superconductors the addition is in units of two electron charges (2e), reflecting that the Cooper pair condensate must have an even parity. This ground state (GS) is foundational for all superconducting qubit devices. Here, we study a hybrid superconducting–semiconducting island and find three typical GS evolutions in a parallel magnetic field: a robust 2e-periodic even-parity GS, a transition to a 2e-periodic odd-parity GS, and a transition from a 2e- to a 1e-periodic GS. The 2e-periodic odd-parity GS persistent in gate-voltage occurs when a spin-resolved subgap state crosses zero energy. For our 1e-periodic GSs we explicitly show the origin being a single zero-energy state gapped from the continuum, i.e., compatible with an Andreev bound states stabilized at zero energy or the presence of Majorana zero modes.
Targeting fidelity of adenine and cytosine base editors in mouse embryos
Authors: Lee Hye Kyung , Willi Michaela , Miller Shannon M. , Kim Sojung , Liu Chengyu , Liu David R. , Hennighausen Lothar
Published: November 2018

Base editing directly converts a target base pair into a different base pair in the genome of living cells without introducing double-stranded DNA breaks. While cytosine base editors (CBE) and adenine base editors (ABE) are used to install and correct point mutations in a wide range of organisms, the extent and distribution of off-target edits in mammalian embryos have not been studied in detail. We analyze on-target and proximal off-target editing at 13 loci by a variety of CBEs and ABE in more than 430 alleles generated from mouse zygotic injections using newly generated and published sequencing data. ABE predominantly generates anticipated A•T-to-G•C edits. Among CBEs, SaBE3 and BE4, result in the highest frequencies of anticipated C•G-to-T•A products relative to editing byproducts. Together, these findings highlight the remarkable fidelity of ABE in mouse embryos and identify preferred CBE variants when fidelity in vivo is critical.
Insights into the Chemistry of Non-Enzymatic Browning Reactions in Different Ribose-Amino Acid Model Systems
Authors: Hemmler Daniel , Roullier-Gall Chloé , Marshall James W. , Rychlik Michael , Taylor Andrew J. , Schmitt-Kopplin Philippe
Published: November 2018

Reactions between sugars and amino acids in the Maillard reaction produce a multitude of compounds through interconnected chemical pathways. The course of the pathways changes depending on the nature of the amino acids and sugars as well as the processing conditions (e.g. temperature, water activity). Some partial pathways have been elucidated using labelled precursors but the process is very time intensive. Here, we use rapid, non-targeted analysis with Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) to deliver the molecular formulae and ion intensities of the compounds generated from reaction of four amino acids with ribose (10 h at 100 °C) to study the effect of amino acid side chains on the reaction pathways. Using van Krevelen diagrams, known chemical changes during the reaction (e.g. dehydration or decarboxylation) can be studied. Comparison of the data from the four amino acids studied, showed a common pathway, which involved 73 Maillard reaction products (MRPs) where the differences were due only to the nature of the amino acid side chain. From the more than 1400 different molecular formulae found, pathways unique to the amino acids were also identified and the order of reactivity was lysine >cysteine >isoleucine ≈ glycine. While unequivocal identification of the compounds cannot be achieved with FT-ICR-MS, applying known chemical transformations found in the Maillard reaction, not only identifies new and known pathways, but also integrates the MRPs into a general Maillard reaction scheme that better represents the totality of the Maillard reaction.
Functional traits of a native and an invasive clam of the genus Ruditapes occurring in sympatry in a coastal lagoon
Authors: Lopes Marta Lobão , Rodrigues Joana Patrício , Crespo Daniel , Dolbeth Marina , Calado Ricardo , Lillebø Ana Isabel
Published: November 2018

The main objective of this study was to evaluate the functional traits regarding bioturbation activity and its influence in the nutrient cycling of the native clam species Ruditapes decussatus and the invasive species Ruditapes philippinarum in Ria de Aveiro lagoon. Presently, these species live in sympatry and the impact of the invasive species was evaluated under controlled microcosmos setting, through combined/manipulated ratios of both species, including monospecific scenarios and a control without bivalves. Bioturbation intensity was measured by maximum, median and mean mix depth of particle redistribution, as well as by Surface Boundary Roughness (SBR), using time-lapse fluorescent sediment profile imaging (f-SPI) analysis, through the use of luminophores. Water nutrient concentrations (NH4-N, NOx-N and PO4-P) were also evaluated. This study showed that there were no significant differences in the maximum, median and mean mix depth of particle redistribution, SBR and water nutrient concentrations between the different ratios of clam species tested. Significant differences were only recorded between the control treatment (no bivalves) and those with bivalves. Thus, according to the present work, in a scenario of potential replacement of the native species by the invasive species, no significant differences are anticipated in short- and long-term regarding the tested functional traits.
Large modulation capacity in graphene-based slot modulators by enhanced hybrid plasmonic effects
Authors: Hao Ran , Ye Ziwei , Gu YiJie , Peng Xiliang , Chen Hongsheng , Li Erping
Published: November 2018

We present an effective scheme to improve the modulation capacity in graphene-based silicon modulator by employing the double slots configuration with hybrid plasmonic effects. Two modulators, i.e., metal-insulator-metal and insulator-metal-insulator configurations have been demonstrated, showing that the double slots design can significantly improve the modulation efficiency. The obtained modulation efficiency is up to 0.525 dB/μm per graphene layer, far exceeding previous studies. It can be found that the light-graphene interaction plays a pivotal role in the modulation efficiency, whereas the height of metal has profound influence on the modulation. Our results may promote various future modulation devices based on graphene.
Defense sequestration associated with narrowing of diet and ontogenetic change to aposematic colours in the spotted lanternfly
Authors: Song Soorim , Kim Shinae , Kwon Sung Won , Lee Sang-Im , Jablonski Piotr G.
Published: November 2018

Bright colours in distasteful prey warn off predators, but processes associated with ontogenetic acquisition of warning colours and distasteful compounds have been studied in only a few organisms. Here, we study spotted lanternflies (Lycorma delicatula; Fulgoridae) that change to red colouration when they narrow their host plant preferences to primarily the tree of heaven (Ailanthus altissima; Simaroubaceae), which is chemically defended by quassinoids. In experiments, we showed that birds taste-avoided lanternflies collected on Ailanthus but not those collected on the secondary hosts. Birds also taste-avoided seeds infused with ailanthone, the main quassinoid sequestered from Ailanthus by lanternflies as shown through mass spectrometry analyses. Hence, the narrowing of host preferences by lanternflies synchronizes the timing of change to red colour with the acquisition of quassinoid defenses. A schematic graphical population-level model of these processes is provided. This is the first report of quassinoid sequestration by insects and the first evidence that Simaroubaceae plants provide defensive chemicals to insects. This is the first report of a fulgoroid insect sequestering identified chemical defenses. The results highlight the importance of the pan-tropical taxon Fulgoridae for evolutionary biology of complex aposematic strategies and for understanding the links between timing of defense sequestration, timing of host plant preference shifts, and timing of colour change.
Developmental dynamics of butterfly wings: real-time in vivo whole-wing imaging of twelve butterfly species
Authors: Iwata Masaki , Tsutsumi Motosuke , Otaki Joji M.
Published: November 2018

Colour pattern development of butterfly wings has been studied from several different approaches. However, developmental changes in the pupal wing tissues have rarely been documented visually. In this study, we recorded real-time developmental changes of the pupal whole wings of 9 nymphalid, 2 lycaenid, and 1 pierid species in vivo, from immediately after pupation to eclosion, using the forewing-lift method. The developmental period was roughly divided into four sequential stages. At the very early stage, the wing tissue was transparent, but at the second stage, it became semi-transparent and showed dynamic peripheral adjustment and slow low-frequency contractions. At this stage, the wing peripheral portion diminished in size, but simultaneously, the ventral epithelium expanded in size. Likely because of scale growth, the wing tissue became deeply whitish at the second and third stages, followed by pigment deposition and structural colour expression at the fourth stage. Some red or yellow (light-colour) areas that emerged early were “overpainted” by expanding black areas, suggesting the coexistence of two morphogenic signals in some scale cells. The discal spot emerged first in some nymphalid species, as though it organised the entire development of colour patterns. These results indicated the dynamic wing developmental processes common in butterflies.
Association between aromatase in human brains and personality traits
Authors: Takahashi Kayo , Hosoya Takamitsu , Onoe Kayo , Takashima Tadayuki , Tanaka Masaaki , Ishii Akira , Nakatomi Yasuhito , Tazawa Shusaku , Takahashi Kazuhiro , Doi Hisashi , Wada Yasuhiro , Watanabe Yasuyoshi
Published: November 2018

Aromatase, an enzyme that converts androgens to estrogens, has been reported to be involved in several brain functions, including synaptic plasticity, neurogenesis, neuroprotection, and regulation of sexual and emotional behaviours in rodents, pathophysiology of Alzheimer’s disease and autism spectrum disorders in humans. Aromatase has been reported to be involved in aggressive behaviours in genetically modified mice and in personality traits by genotyping studies on humans. However, no study has investigated the relationship between aromatase in living brains and personality traits including aggression. We performed a positron emission tomography (PET) study in 21 healthy subjects using 11C-cetrozole, which has high selectivity and affinity for aromatase. Before performing PET scans, subjects answered the Buss-Perry Aggression Questionnaire and Temperament and Character Inventory to measure their aggression and personality traits, respectively. A strong accumulation of 11C-cetrozole was detected in the thalamus, hypothalamus, amygdala, and medulla. Females showed associations between aromatase levels in subcortical regions, such as the amygdala and supraoptic nucleus of the hypothalamus, and personality traits such as aggression, novelty seeking, and self-transcendence. In contrast, males exhibited associations between aromatase levels in the cortices and harm avoidance, persistence, and self-transcendence. The association of aromatase levels in the thalamus with cooperativeness was common to both sexes. The present study suggests that there might exist associations between aromatase in the brain and personality traits. Some of these associations may differ between sexes, while others are likely common to both.
Electric field-controlled transformation of the eigenmodes in a twisted-nematic Fabry–Pérot cavity
Authors: Gunyakov V. A. , Timofeev I. V. , Krakhalev M. N. , Lee W. , Zyryanov V. Ya.
Published: November 2018

The polarized optical states in the transmission spectrum of a twisted-nematic Fabry–Pérot cavity with the distinctly broken Mauguin’s waveguide regime have been theoretically and experimentally investigated. Specific features of the electric field-induced transformation of the polarization and spectral characteristics of eigenmodes of the neighboring series at the overlap resonant frequencies have been examined. It is demonstrated that the linear polarizations of eigenmodes at the cavity boundaries remain nearly orthogonal and their frequency trajectories reproduce the avoided crossing phenomenon. The experimental data are confirmed analytically and by the numerical simulation of light transmission through the investigated anisotropic multilayer with the use of a Berreman matrix method. The results obtained can be generalized to any materials with the helix response.
Developmental induction of human T-cell responses against Candida albicans and Aspergillus fumigatus
Authors: Vogel Katrin , Pierau Mandy , Arra Aditya , Lampe Karen , Schlueter Dirk , Arens Christoph , Brunner-Weinzierl Monika C.
Published: November 2018

The origin of human T-cell responses against fungal pathogens early in life is not clearly understood. Here, we show that antifungal T-cell responses are vigorously initiated within the first years of life against lysates and peptides of Candida albicans or Aspergillus fumigatus, presented by autologous monocytes. The neonatal responding T-cell pool consists of 20 different TCR-Vβ families, whereas infant and adult pools display dramatically less variability. Although we demonstrate no bias for anti-fungal IL-4 expression early in life, there was a strong bias for anti-fungal IL-17 production. Of note, only T-cells from neonates and infants show an immediate co-expression of multiple cytokines. In addition, only their T-cells co-express simultaneously transcription factors T-bet and RORγt in response to fungi and subsequently their target genes IL-17 and IFNγ. Thus, T-cells of neonates and infants are predetermined to respond quickly with high plasticity to fungal pathogens, which might give an excellent opportunity for therapeutic interventions.
T1-weighted Grey Matter Signal Intensity Alterations After Multiple Administrations of Gadobutrol in Patients with Multiple Sclerosis, Referenced to White Matter
Authors: Kelemen Peter , Alaoui Jamila , Sieron Dominik , Chan Andrew , Kamm Christian P. , Heldner Mirjam R. , Gralla Jan , Wiest Roland , Verma Rajeev K.
Published: November 2018

The aim of the study was to investigate the signal-intensity-(SI)-ratio changes in the basal ganglia, the pulvinar thalami (PN), and the dentate nucleus (DN) using frontal white matter (FWM) as reference area, in patients with multiple sclerosis after frequent administrations of gadobutrol. A control group (group I) was compared to three stratified patient groups (group II: mean applications of gadobutrol 3.7; group III: 7.5 applications; group IV: 13.8 applications). SI-ratios of the pallidum, putamen, caudate nucleus, and pulvinar thalami were calculated with: 1. FWM, and 2. PN. DN-to-pons and DN-to-FWM ratios were also calculated. The most significant SI-ratio-changes were found by comparing group I and IV for both reference values. However, by using FWM as reference an SI-ratio increase was observed, while an SI-ratio decrease was seen if referenced to the PN. DN-to-FWM showed an SI-ratio increase, too. The PN revealed a significant SI-ratio increase itself, correlating with the number of gadolinium applications, when referenced to FWM. Therefore, SI-ratio calculations using the thalamus as reference might be flawed. In addition, a minor gadolinium accumulation is possible, if FWM was used as reference area. Further studies are necessary to verify our results.
Characterisation of a diazinon-metabolising glutathione S-transferase in the silkworm Bombyx mori by X-ray crystallography and genome editing analysis
Authors: Yamamoto Kohji , Higashiura Akifumi , Hirowatari Aiko , Yamada Naotaka , Tsubota Takuya , Sezutsu Hideki , Nakagawa Atsushi
Published: November 2018

Previously, we found an unclassified glutathione S-transferase 2 (bmGSTu2) in the silkworm Bombyx mori that conjugates glutathione to 1-chloro-2,4-dinitrobenzene and also metabolises diazinon, an organophosphate insecticide. Here, we provide a structural and genome-editing characterisation of the diazinon-metabolising glutathione S-transferase in B. mori. The structure of bmGSTu2 was determined at 1.68 Å by X-ray crystallography. Mutation of putative amino acid residues in the substrate-binding site showed that Pro13, Tyr107, Ile118, Phe119, and Phe211 are crucial for enzymatic function. bmGSTu2 gene disruption resulted in a decrease in median lethal dose values to an organophosphate insecticide and a decrease in acetylcholine levels in silkworms. Taken together, these results indicate that bmGSTu2 could metabolise an organophosphate insecticide. Thus, this study provides insights into the physiological role of bmGSTu2 in silkworms, detoxification of organophosphate insecticides, and drug targets for the development of a novel insecticide.
Controlling aflatoxin contamination and propagation of Aspergillus flavus by a soy-fermenting Aspergillus oryzae strain
Authors: Alshannaq Ahmad F. , Gibbons John G. , Lee Mi-Kyung , Han Kap-Hoon , Hong Seung-Beom , Yu Jae-Hyuk
Published: November 2018

Aflatoxins (AFs) are a group of carcinogenic and immunosuppressive mycotoxins that threaten global food safety. Globally, over 4.5 billion people are exposed to unmonitored levels of AFs. Aspergillus flavus is the major source of AF contamination in agricultural crops. One approach to reduce levels of AFs in agricultural commodities is to apply a non-aflatoxigenic competitor, e.g., Afla-Guard, to crop fields. In this study, we demonstrate that the food fermenting Aspergillus oryzae M2040 strain, isolated from Korean Meju (a brick of dry-fermented soybeans), can inhibit aflatoxin B1 (AFB1) production and proliferation of toxigenic A. flavus in lab culture conditions and peanuts. In peanuts, 1% inoculation level of A. oryzae M2040 could effectively displace the toxigenic A. flavus and inhibit AFB1 production. Moreover, cell-free culture filtrate of A. oryzae M2040 effectively inhibited AFB1 production and A. flavus growth, suggesting A. oryzae M2040 secretes inhibitory compounds. Whole genome-based comparative analyses indicate that the A. oryzae M2040 and Afla-Guard genomes are 37.9 and 36.4 Mbp, respectively, with each genome containing ~100 lineage specific genes. Our study establishes the idea of using A. oryzae and/or its cell-free culture fermentate as a potent biocontrol agent to control A. flavus propagation and AF contamination.
Synergistic effect of surface phosphorylation and micro-roughness on enhanced osseointegration ability of poly(ether ether ketone) in the rabbit tibia
Authors: Fukuda Naoyuki , Kanazawa Masayuki , Tsuru Kanji , Tsuchiya Akira , Sunarso  , Toita Riki , Mori Yoshihide , Nakashima Yasuharu , Ishikawa Kunio
Published: November 2018

This study was aimed to investigate the osseointegration ability of poly(ether ether ketone) (PEEK) implants with modified surface roughness and/or surface chemistry. The roughened surface was prepared by a sandblast method, and the phosphate groups on the substrates were modified by a two-step chemical reaction. The in vitro osteogenic activity of rat mesenchymal stem cells (MSCs) on the developed substrates was assessed by measuring cell proliferation, alkaline phosphatase activity, osteocalcin expression, and bone-like nodule formation. Surface roughening alone did not improve MSC responses. However, phosphorylation of smooth substrates increased cell responses, which were further elevated in combination with surface roughening. Moreover, in a rabbit tibia implantation model, this combined surface modification significantly enhanced the bone-to-implant contact ratio and corresponding bone-to-implant bonding strength at 4 and 8 weeks post-implantation, whereas modification of surface roughness or surface chemistry alone did not. This study demonstrates that combination of surface roughness and chemical modification on PEEK significantly promotes cell responses and osseointegration ability in a synergistic manner both in vitro and in vivo. Therefore, this is a simple and promising technique for improving the poor osseointegration ability of PEEK-based orthopedic/dental implants.
Species distribution models of European Turtle Doves in Germany are more reliable with presence only rather than presence absence data
Authors: Marx Melanie , Quillfeldt Petra
Published: November 2018

Species distribution models (SDMs) can help to describe potential occurrence areas and habitat requirements of a species. These data represent key information in ecology and conservation, particularly for rare or endangered species. Presence absence (PA) and presence only (PO) records of European Turtle Doves Streptopelia turtur in Germany were used to run SDMs, whilst climate and land coverage variables provided environmental information. GLM (Generalised Linear model), GBM (Generalised Boosted model), CTA (Classification Tree analysis), SRE (Surface Range Envelope) and RF (Random Forests) algorithms were run with both datasets. Best model quality was obtained with PO in the RF algorithm (AUC 0.83). PA and PO probability maps differed substantially, but both excluded mountainous regions as potential occurrence areas. However, PO probability maps were more discriminatory and highlighted a possible distribution of Turtle Doves near Saarbrucken, west of Dusseldorf, in the Black Forest lowlands and Lusatia. Mainly, the climate variables ‘minimum temperature in January’ and ‘precipitation of the warmest quarter’ shaped these results, but variables like soil type or agricultural management strategy could improve future SDMs to specify local habitat requirements and develop habitat management strategies. Eventually, the study demonstrated the utility of PO data in SDMs, particularly for scarce species.
Interspecific formation of the antimicrobial volatile schleiferon
Authors: Kai Marco , Effmert Uta , Lemfack Marie Chantal , Piechulla Birgit
Published: November 2018

Microorganisms release a plethora of volatile secondary metabolites. Up to now, it has been widely accepted that these volatile organic compounds are produced and emitted as a final product by a single organism e.g. a bacterial cell. We questioned this commonly assumed perspective and hypothesized that in diversely colonized microbial communities, bacterial cells can passively interact by emitting precursors which non-enzymatically react to form the active final compound. This hypothesis was inspired by the discovery of the bacterial metabolite schleiferon A. This bactericidal volatile compound is formed by a non-enzymatic reaction between acetoin and 2-phenylethylamine. Both precursors are released by Staphylococcus schleiferi cells. In order to provide evidence for our hypothesis that these precursors could also be released by bacterial cells of different species, we simultaneously but separately cultivated Serratia plymuthica 4Rx13 and Staphylococcus delphini 20771 which held responsible for only one precursor necessary for schleiferon A formation, respectively. By mixing their headspace, we demonstrated that these two species were able to deliver the active principle schleiferon A. Such a joint formation of a volatile secondary metabolite by different bacterial species has not been described yet. This highlights a new aspect of interpreting multispecies interactions in microbial communities as not only direct interactions between species might determine and influence the dynamics of the community. Events outside the cell could lead to the appearance of new compounds which could possess new community shaping properties.
A 5′-BODIPY End-label for Monitoring DNA Duplex-Quadruplex Exchange
Authors: Deore Prashant S. , Soldatov Dmitriy V. , Manderville Richard A.
Published: November 2018

Fluorescent probes that can distinguish different DNA topologies through changes in optical readout are sought after for DNA-based diagnostics. In this work, the 4,4-difluoro-4-bora-3a, 4a-diaza-s-indacene (BODIPY) chromophore attached to cyanophenyl substituents (BODIPY-CN) has been tethered to the 5′-end of the 15-mer thrombin binding aptamer (TBA) that contains the guanine (G) nucleobase. TBA folds into a unimolecular antiparallel G-quadruplex (GQ) upon binding thrombin and certain metal ions. The 5′-BODIPY-CN-TBA sample possesses a Stokes shift of ~40 nm with wavelengths of excitation/emission at 550/590 nm and exhibits a 2-fold increase in emission intensity compared to the free BODIPY-CN in aqueous buffer that possesses a brightness (εΦfl) of ~16,956 M−1. cm−1. However, when 5′-BODIPY-CN-TBA is base-paired to a complementary strand in the B-form duplex, the emission of the BODIPY-CN end-label increases 7-fold, 14-fold compared to the free-dye. This signal-on response enables the BODIPY-CN end-label to serve as a quencher-free fluorescent probe for monitoring duplex-GQ exchange. The visible end-label minimally perturbs GQ stability and thrombin binding affinity, and the modified TBA can act as a combinatorial logic circuit having INHIBIT logic functions. These attributes make BODIPY-CN a highly useful end-label for creating nanomolecular devices derived from G-rich oligonucleotides.
On the Hydrogen Bond Strength and Vibrational Spectroscopy of Liquid Water
Authors: Ojha Deepak , Karhan Kristof , Kühne Thomas D.
Published: November 2018

In the present work, we introduce two new metrics i.e. hydrogen-bond strength and charge-transfer between the donor/acceptor water molecules as a measure of hydrogen-bond rearrangement dynamics. Further, we also employ a simple model based on energy flux through the donor-acceptor water pairs to quantify the extent of the local hydrogen-bond network reorganization. Most importantly, we report a linear relationship between the OH stretch frequency and the charge and energy transfer through donor-acceptor water pairs. We demonstrate that the vibrational frequency fluctuations, which are used to determine third-order non-linear spectroscopic observables like the short-time slope of three pulse photon echo, can be used as an analog of the fluctuations in the hydrogen-bond strength and charge-transfer. The timescales obtained from our hydrogen-bond strength correlation and charge-transfer correlation decay are in excellent agreement with the computed frequency-time correlation function, as well as with recent vibrational echo experiments.
Author Correction: Deep Learning and Radiomics predict complete response after neo-adjuvant chemoradiation for locally advanced rectal cancer
Authors: Bibault Jean-Emmanuel , Giraud Philippe , Housset Martin , Durdux Catherine , Taieb Julien , Berger Anne , Coriat Romain , Chaussade Stanislas , Dousset Bertrand , Nordlinger Bernard , Burgun Anita
Published: November 2018

A correction to this article has been published and is linked from the HTML and PDF versions of this paper. The error has been fixed in the paper.
Roles of oxides of nitrogen on quality enhancement of soybean sprout during hydroponic production using plasma discharged water recycling technology
Authors: Lee Eun-Jung , Khan Muhammad Saiful Islam , Shim Jaewon , Kim Yun-Ji
Published: November 2018

This study was performed to assess the effect of plasma-discharged water recycling technology as irrigation water on soybean sprout production. Two different types of irrigation water were used individually for cultivation, including plasma discharged water as a source of oxides of nitrogen and tap water, irrigation water was recycled for every 30 minutes. Plasma discharged irrigation water reduced overall 4.3 log CFU/ml aerobic microbe and 7.0 log CFU/ml of artificially inoculated S. Typhimurium within 5 minutes and 2 minutes, respectively, therefore sprout production occurs in a hygienic environment. Using of plasma-discharged water for cultivation, increases the amount of ascorbate, asparagine, and γ-aminobutyric acid (GABA) significantly (p < 0.05), in the part of cotyledon and hypocotyl of soybean sprout during 1 to 4 days of farming. A NO scavenger, 2-(4-carboxy-phenyl)-4,4,5,5-tetramethylimidazoline-1-oxy-3-oxide (cPTIO), was added in irrigation water to elucidate the roles of the oxides of nitrogen such as NO3−, NO2− generated in plasma discharged water. It was observed that all three nutrients decreased in the cotyledon part, whereas ascorbate and GABA contents increased in the hypocotyl and radicle part of bean sprout for the same duration of farming. The addition of NO scavenger in the irrigation water also reduced growth and overall yield of the soybean sprouts. A recycling water system with plasma-discharged water helped to reduce the amount of water consumption and allowed soybean sprouts growth in a hygienic environment during the hydroponic production.
Regenerating infected bone defects with osteocompatible microspheres possessing antibacterial activity
Authors: Wei Peng-Fei , Yuan Zuo-Ying , Jing Wei , Guan Bin-Bin , Liu Zi-Hao , Zhang Xu , Mao Jian-Ping , Chen Da-Fu , Cai Qing , Yang Xiao-Ping
Published: November 2018

Treatment of infected bone defects still remains a formidable clinical challenge, and the design of bone implants with both anti-bacterial activity and osteogenesis effects is nowadays regarded as a powerful strategy for infection control and bone healing.
A pH-responsive hydrogel with potent antibacterial activity against both aerobic and anaerobic pathogens
Authors: Hu Jingjing , Zheng Zhao , Liu Cenxi , Hu Qianyu , Cai Xiaopan , Xiao Jianru , Cheng Yiyun
Published: November 2018

A pH-responsive hydrogel prepared by oxidized dextran with aminoglycoside and an ornidazole analogue can kill both aerobic and anaerobic pathogens.
Fewer-layer conductive metal–organic nanosheets enable ultrahigh mass activity for the oxygen evolution reaction
Authors: Zhang Mingdao , Zheng Bao-Hui , Xu Jing , Pan Na , Yu Jianghua , Chen Mindong , Cao Hui
Published: November 2018

A simple and scalable strategy to construct 2D fewer-layer π-conjugated conductive metal–organic nanosheets was developed to enable ultrahigh mass activity (>200 times of RuO2) for the oxygen evolution reaction.
High temperature expulsion of thermolabile groups for pore-space expansion in metal–organic frameworks
Authors: Bryant Macguire R. , Ablott Timothy A. , Telfer Shane G. , Liu Lujia , Richardson Christopher
Published: November 2018

Direct radiative heating at 200 °C quantitatively converts sulfoxide-tags to desirable vinyl groups on a porous zinc(ii) metal–organic framework analogue of IRMOF-9.
Automated calculation of thermal rate coefficients using ring polymer molecular dynamics and machine-learning interatomic potentials with active learning
Authors: Novikov I. S. , Suleimanov Y. V. , Shapeev A. V.
Published: November 2018

We propose a methodology for the fully automated calculation of thermal rate coefficients of gas phase chemical reactions, which is based on combining ring polymer molecular dynamics (RPMD) and machine-learning interatomic potentials actively learning on-the-fly.
Mesoporous Mn–Ti amorphous oxides: a robust low-temperature NH3-SCR catalyst
Authors: Yang Yanran , Wang Minghong , Tao Zuliang , Liu Qing , Fei Zhaoyang , Chen Xian , Zhang Zhuxiu , Tang Jihai , Cui Mifen , Qiao Xu
Published: November 2018

Mn–Ti amorphous oxides prepared by the combinedin situdeposition and freeze-drying strategy exhibited excellent activities and stability in low-temperature NH3-SCR.
Facile fabrication of well-polarized Bi2WO6 nanosheets with enhanced visible-light photocatalytic activity
Authors: Zhang Ganghua , Cao Jianwu , Huang Guoquan , Li Jian , Li Dezeng , Yao Weifeng , Zeng Tao
Published: November 2018

A universal and facile strategy is proposed to fabricate polarized Bi2WO6 nanoparticles with the assistance of a soluble organic–inorganic composite film.
Boosting the photocatalytic hydrogen evolution activity of g-C3N4 nanosheets by Cu2(OH)2CO3-modification and dye-sensitization
Authors: Liu Yumin , Wu Xinxin , Lv Hua , Cao Yafei , Ren Hao
Published: November 2018

The positive synergetic effects among g-C3N4, Cu2(OH)2CO3 and fluorescein dramatically boost the H2-evolution activity over a fluorescein-sensitized Cu2(OH)2CO3/g-C3N4 photocatalyst.
Highly luminescent 2-phenylpyridine-free diiridium complexes with bulky 1,2-diarylimidazole cyclometalating ligands
Authors: Congrave Daniel G. , Batsanov Andrei S. , Bryce Martin R.
Published: November 2018

While a number of highly emissive dinuclear Ir(iii) complexes have been reported, they have generally been restricted to structures based on 2-phenylpyridine (Hppy) cyclometalates.
Impact of individual flue gas components on mercury oxidation over a V2O5–MoO3/TiO2 catalyst
Authors: Zhao Bo , Han Jun , Qin Linbo , Chen Wangsheng , Zhou Zijian , Xing Futang
Published: November 2018

Mercury oxidation by HCl over V2O5–MoO3/TiO2 followed the Langmuir–Hinshelwood mechanism and showed resistance to SO2.
Correction: Boosted visible light photodegradation activity of boron doped rGO/g-C3N4 nanocomposites: the role of C–O–C bonds
Authors: Li Shaobo , Zhu Tao , Dong Lichun , Dong Mingdong
Published: November 2018

Correction for ‘Boosted visible light photodegradation activity of boron doped rGO/g-C3N4 nanocomposites: the role of C–O–C bonds’ by Shaobo Li et al., New J. Chem., 2018, 42, 17644–17651.
Probing the SERS brightness of individual Au nanoparticles, hollow Au/Ag nanoshells, Au nanostars and Au core/Au satellite particles: single-particle experiments and computer simulations
Authors: Tran Vi , Thiel Christian , Svejda Jan Taro , Jalali Mandana , Walkenfort Bernd , Erni Daniel , Schlücker Sebastian
Published: November 2018

Different classes of plasmonic nanoparticles are tested for their SERS signal brightness at the single-particle level.
Stapling of two PEGylated side chains increases the conformational stability of the WW domainviaan entropic effect
Authors: Xiao Qiang , Bécar Natalie A. , Brown Nathaniel P. , Smith Mason S. , Stern Kimberlee L. , Draper Steven R. E. , Thompson Katherine P. , Price Joshua L.
Published: November 2018

PEGylation + stapling contributes more to conformational stability when the two linked sites are close in tertiary structure but far apart in primary sequence.
Synthesis of peptide–vinyl polymer multiblock hybrids by nitroxide-mediated polymerization: breaking the limitations of monomer compatibility
Authors: Nishimura Shin-nosuke , Higashi Nobuyuki , Koga Tomoyuki
Published: November 2018

Nitroxide-mediated polymerization of a wide variety of vinyl monomers using a novel TIPNO-based cyclic peptide successfully provided multiblock architectures composed of sequential peptides and vinyl polymers in one step.
Alteration of vitrified intermediate level nuclear waste in alkaline media: effects of cementitious materials, pH and temperature
Authors: Suzuki-Muresan Tomo , Abdelouas A. , Landesman C. , Ait-Chaou A. , El Mendili Y. , Ribet S. , Perrigaud K. , Shitara D. , Martin C. , Bourbon X.
Published: November 2018

Alteration experiments involving intermediate level nuclear waste (ILW) glass in contact with hardened cement paste (HCP) were performed to assess its behavior under simulated repository conditions.
Hemostatic effect of novel carbon dots derived from Cirsium setosum Carbonisata
Authors: Luo Juan , Zhang Meiling , Cheng Jinjun , Wu Shuhong , Xiong Wei , Kong Hui , Zhao Yan , Qu Huihua
Published: November 2018

We discovered novel water-soluble carbon dots from aqueous extracts of Cirsium setosum Carbonisata, which have a remarkable hemostatic effect. The study provides evidence to support the further investigation of considerable potential of carbon dots.
Novel near-infrared II aggregation-induced emission dots for in vivo bioimaging
Authors: Lin Jiacheng , Zeng Xiaodong , Xiao Yuling , Tang Lin , Nong Jinxia , Liu Yufang , Zhou Hui , Ding Bingbing , Xu Fuchun , Tong Hanxing , Deng Zixin , Hong Xuechuan
Published: November 2018

Novel biocompatible NIR-II aggregation-induced emission dots are facilely assembled and used for NIR-II biomedical fluorescence imaging.
Ambipolar charge transport in an organic/inorganic van der Waals p–n heterojunction
Authors: Yan Jie , Hao Yang , Cui Yutao , Zhang Jiajia , Zou Ye , Zhang Weifeng , Yu Gui , Zheng Jian , Xu Wei , Zhu Daoben
Published: November 2018

This is the first time that a van der Waals p–n heterojunction contains a semiconducting polymer processed from solution, displaying a sensitive photoresponse.
NIR polymers and phototransistors
Authors: Ma Lanchao , Chen Bing , Guo Yunlong , Liang Yongri , Zeng Dongmei , Zhan Xiaowei , Liu Yunqi , Chen Xingguo
Published: November 2018

A novel bisthiophene-fused diketopyrrolopyrrole unit (4,11-bis(2-octyldodecyl)-7H,14H-thieno[3′,2′:7,8]indolizino[2,1-a]thieno[3,2-g]indolizine-7,14-dione, BTI) has been designed as an electron acceptor and used to copolymerize with thiophene and bithiophene as electron donors to construct two D–A conjugated polymers, P1 and P2via Stille coupling, respectively.
Fabrication of a high performance ZnIn2S4/Si heterostructure photodetector array for weak signal detection
Authors: Zheng Zhaoqiang , Yao Jiandong , Li Weijia , Huang Le , Xiao Ye , Mu Zhongfei , Yang Guowei , Li Jingbo
Published: November 2018

We report the facile synthesis of layered ZnIn2S4 nanosheets and the construction of a ZnIn2S4/Si photodetector array for weak signal detection.
G protein subunit phosphorylation as a regulatory mechanism in heterotrimeric G protein signaling in mammals, yeast, and plants
Authors: Chakravorty David , Assmann Sarah M.
Published: November 2018

Heterotrimeric G proteins composed of Gα, Gβ, and Gγ subunits are vital eukaryotic signaling elements that convey information from ligand-regulated G protein-coupled receptors (GPCRs) to cellular effectors. Heterotrimeric G protein-based signaling pathways are fundamental to human health [Biochimica et Biophysica Acta (2007) 1768, 994–1005] and are the target of >30% of pharmaceuticals in clinical use [Biotechnology Advances (2013) 31, 1676–1694; Nature Reviews Drug Discovery (2017) 16, 829–842]. This review focuses on phosphorylation of G protein subunits as a regulatory mechanism in mammals, budding yeast, and plants. This is a re-emerging field, as evidence for phosphoregulation of mammalian G protein subunits from biochemical studies in the early 1990s can now be complemented with contemporary phosphoproteomics and genetic approaches applied to a diversity of model systems. In addition, new evidence implicates a family of plant kinases, the receptor-like kinases, which are monophyletic with the interleukin-1 receptor-associated kinase/Pelle kinases of metazoans, as possible GPCRs that signal via subunit phosphorylation. We describe early and modern observations on G protein subunit phosphorylation and its functional consequences in these three classes of organisms, and suggest future research directions.