bluuebunny/crossref_metadata_2025 huggingface dataset:
Analysis of the mixture toxicity burden in 17 rivers in north eastern Australia – implications for the Great Barrier Reef.
Authors: Spilsbury Francis , Warne Michael St.J , Backhaus Thomas
Published: July 2018

The Great Barrier Reef (GBR) is a protected ecosystem, listed as a UNESCO World Heritage site since 1981. It runs for approximately 3000km along the coastline in north-eastern Australia. A total of thirty-five major river basins discharge to the GBR and many transport large loads of pesticides, suspended sediment, nutrients from agricultural land. Over the past 6 years an extensive program has been conducted by the Queensland Government to monitor concentrations of 51 pesticides and their breakdown products in 17 rivers that discharge to the GBR. To explore the potential impact that the pesticides pose to the riverine environments and to the GBR we analysed the risk posed by the individual pesticides and their mixtures. Australia currently does not have water quality guidelines for 17 of the 38 pesticides detected. For those, we calculated ecotoxicity thresholds using a simplified version of the Australian methodology for determining water quality guideline values, based on species-sensitivity distributions. In all rivers, multiple pesticides were routinely detected at concentrations greater than their level of reporting. All rivers had at least one sample where the combined toxicity was greater than 1 toxic unit (TU), i.e. exposure situations where the total pesticide concentration exceeded acceptable levels. In a number of rivers more than 50% of samples had a combined toxicity greater than 1 TU. Average TU’s per river ranged from 13.47 to 0.10, with substantial fluctuations over the seasons but without clear trends between years. The patterns indicate that specific events such as severity of wet/dry seasons and cyclone events impact the combined toxicity found. We also found land use patterns affected the combined toxicity in the river ecosystems. In each of the rivers, 90% of the expected mixture toxicity was caused by only between 2 and 6 pesticides, although the individual pesticides that dominated the combined toxicity differed between rivers.
Impaired spatial memory codes in a mouse model of Rett syndrome
Authors: Kee Sara E , Mou Xiang , Zoghbi Huda Y , Ji Daoyun
Published: July 2018

The Mecp2+/- mouse model recapitulates many phenotypes of patients with Rett syndrome (RTT), including learning and memory deficits. It is unknown, however, how the disease state alters memory circuit functions in vivo in RTT mice. Here we recorded from hippocampal place cells, which are thought to encode spatial memories, in freely moving RTT mice and littermate controls. We found that place cells in RTT mice are impaired in their experience-dependent increase of spatial information. This impairment is accompanied by an enhanced baseline firing synchrony of place cells within ripple oscillations during rest, which consequently occludes the increase in synchrony after a novel experience. Behaviorally, contextual memory is normal at short but not long time scale in RTT mice. Our results suggest that hypersynchrony interferes with memory consolidation and leads to impaired spatial memory codes in RTT mice, providing a possible circuit mechanism for memory deficits in Rett Syndrome.
Novel functions for integrin-associated proteins revealed by analysis of myofibril attachment in Drosophila
Authors: Green Hannah J , Griffiths Annabel GM , Ylänne Jari , Brown Nicholas H
Published: July 2018

We use the myotendinous junction of Drosophila flight muscles to explore why many integrin associated proteins (IAPs) are needed and how their function is coordinated. These muscles revealed new functions for IAPs not required for viability: Focal Adhesion Kinase (FAK), RSU1, tensin and vinculin. Genetic interactions demonstrated a balance between positive and negative activities, with vinculin and tensin positively regulating adhesion, while FAK inhibits elevation of integrin activity by tensin, and RSU1 keeps PINCH activity in check. The molecular composition of myofibril termini resolves into 4 distinct layers, one of which is built by a mechanotransduction cascade: vinculin facilitates mechanical opening of filamin, which works with the Arp2/3 activator WASH to build an actin-rich layer positioned between integrins and the first sarcomere. Thus, integration of IAP activity is needed to build the complex architecture of the myotendinous junction, linking the membrane anchor to the sarcomere.
Ligand discrimination and gating in cyclic nucleotide-gated ion channels from apo and partial agonist-bound cryo-EM structures
Authors: Rheinberger Jan , Gao Xiaolong , Schmidpeter Philipp AM , Nimigean Crina M
Published: July 2018

Cyclic nucleotide-modulated channels have important roles in visual signal transduction and pacemaking. Binding of cyclic nucleotides (cAMP/cGMP) elicits diverse functional responses in different channels within the family despite their high sequence and structure homology. The molecular mechanisms responsible for ligand discrimination and gating are unknown due to lack of correspondence between structural information and functional states. Using single particle cryo-electron microscopy and single-channel recording, we assigned functional states to high-resolution structures of SthK, a prokaryotic cyclic nucleotide-gated channel. The structures for apo, cAMP-bound, and cGMP-bound SthK in lipid nanodiscs, correspond to no, moderate, and low single-channel activity, respectively, consistent with the observation that all structures are in resting, closed states. The similarity between apo and ligand-bound structures indicates that ligand-binding domains are strongly coupled to pore and SthK gates in an allosteric, concerted fashion. The different orientations of cAMP and cGMP in the ‘resting’ and ‘activated’ structures suggest a mechanism for ligand discrimination.
In silico-guided sequence modifications of K-ras epitopes improve immunological outcome against G12V and G13D mutant KRAS antigens
Authors: Ng Allan Wee Ren , Tan Pei Jun , Hoo Winfrey Pui Yee , Liew Dek Shen , Teo Michelle Yee Mun , Siak Pui Yan , Ng Sze Man , Tan Ee Wern , Abdul Rahim Raha , Lim Renee Lay Hong , Song Adelene Ai Lian , In Lionel Lian Aun
Published: July 2018

Background

Somatic point substitution mutations in the KRAS proto-oncogene primarily affect codons 12/13 where glycine is converted into other amino acids, and are highly prevalent in pancreatic, colorectal, and non-small cell lung cancers. These cohorts are non-responsive to anti-EGFR treatments, and are left with non-specific chemotherapy regimens as their sole treatment options. In the past, the development of peptide vaccines for cancer treatment was reported to have poor AT properties when inducing immune responses. Utilization of bioinformatics tools have since become an interesting approach in improving the design of peptide vaccines based on T- and B-cell epitope predictions.

Methods

In this study, the region spanning exon 2 from the 4th to 18th codon within the peptide sequence of wtKRAS was chosen for sequence manipulation. Mutated G12V and G13D K-ras controls were generated in silico, along with additional single amino acid substitutions flanking the original codon 12/13 mutations. IEDB was used for assessing human and mouse MHC class I/II epitope predictions, as well as linear B-cell epitopes predictions, while RNA secondary structure prediction was performed via CENTROIDFOLD. A scoring and ranking system was established in order to shortlist top mimotopes whereby normalized and reducing weighted scores were assigned to peptide sequences based on seven immunological parameters. Among the top 20 ranked peptide sequences, peptides of three mimotopes were synthesized and subjected to in vitro and in vivo immunoassays. Mice PBMCs were treated in vitro and subjected to cytokine assessment using CBA assay. Thereafter, mice were immunized and sera were subjected to IgG-based ELISA.

Results

In silico immunogenicity prediction using IEDB tools shortlisted one G12V mimotope (68-V) and two G13D mimotopes (164-D, 224-D) from a total of 1,680 candidates. Shortlisted mimotopes were predicted to promote high MHC-II and -I affinities with optimized B-cell epitopes. CBA assay indicated that: 224-D induced secretions of IL-4, IL-5, IL-10, IL-12p70, and IL-21; 164-D triggered IL-10 and TNF-α; while 68-V showed no immunological responses. Specific-IgG sera titers against mutated K-ras antigens from 164-D immunized Balb/c mice were also elevated post first and second boosters compared to wild-type and G12/G13 controls.

Discussion

In silico-guided predictions of mutated K-ras T- and B-cell epitopes were successful in identifying two immunogens with high predictive scores, Th-bias cytokine induction and IgG-specific stimulation. Developments of such immunogens are potentially useful for future immunotherapeutic and diagnostic applications against KRAS(+) malignancies, monoclonal antibody production, and various other research and development initiatives.
Green synthesis of nanoparticles with extracellular and intracellular extracts of basidiomycetes
Authors: Vetchinkina Elena , Loshchinina Ekaterina , Kupryashina Maria , Burov Andrey , Pylaev Timofey , Nikitina Valentina
Published: July 2018

Au, Ag, Se, and Si nanoparticles were synthesized from aqueous solutions of HAuCl4, AgNO3, Na2SeO3, and Na2SiO3with extra- and intracellular extracts from the xylotrophic basidiomycetesPleurotus ostreatus,Lentinus edodes,Ganoderma lucidum, andGrifola frondosa. The shape, size, and aggregation properties of the nanoparticles depended both on the fungal species and on the extract type. The bioreduction of the metal-containing compounds and the formation rate of Au and Ag nanoparticles depended directly on the phenol oxidase activity of the fungal extracts used. The biofabrication of Se and Si nanoparticles did not depend on phenol oxidase activity. When we used mycelial extracts from different fungal morphological structures, we succeeded in obtaining nanoparticles of differing shapes and sizes. The cytotoxicity of the noble metal nanoparticles, which are widely used in biomedicine, was evaluated on the HeLa and Vero cell lines. The cytotoxicity of the Au nanoparticles was negligible in a broad concentration range (1–100 µg/mL), whereas the Ag nanoparticles were nontoxic only when used between 1 and 10 µg/mL.
Combined accelerometer and genetic analysis to differentiate essential tremor from Parkinson’s disease
Authors: Molparia Bhuvan , Schrader Brian N. , Cohen Eli , Wagner Jennifer L. , Gupta Sandeep R. , Gould Sherrie , Hwynn Nelson , Spencer Emily G. , Torkamani Ali
Published: July 2018

Essential tremor (ET) and Parkinson’s disease (PD) are among the most common adult-onset tremor disorders. Clinical and pathological studies suggest that misdiagnosis of PD for ET, and vice versa, occur in anywhere from 15% to 35% of cases. Complex diagnostic procedures, such as dopamine transporter imaging, can be powerful diagnostic aids but are lengthy and expensive procedures that are not widely available. Preliminary studies suggest that monitoring of tremor characteristics with consumer grade accelerometer devices could be a more accessible approach to the discrimination of PD from ET, but these studies have been performed in well-controlled clinical settings requiring multiple maneuvers and oversight from clinical or research staff, and thus may not be representative of at-home monitoring in the community setting. Therefore, we set out to determine whether discrimination of PD vs. ET diagnosis could be achieved by monitoring research subject movements at home using consumer grade devices, and whether discrimination could be improved with the addition of genetic profiling of the type that is readily available through direct-to-consumer genetic testing services. Forty subjects with PD and 27 patients with ET were genetically profiled and had their movements characterized three-times a day for two weeks through a simple procedure meant to induce rest tremors. We found that tremor characteristics could be used to predict diagnosis status (sensitivity = 76%, specificity = 65%, area under the curve (AUC) = 0.75), but that the addition of genetic risk information, via a PD polygenic risk score, did not improve discriminatory power (sensitivity = 80%, specificity = 65%, AUC = 0.73).
Shark and ray diversity in the Tropical America (Neotropics)—an examination of environmental and historical factors affecting diversity
Authors: Carrillo-Briceño Jorge Domingo , Carrillo Juan D. , Aguilera Orangel Antonio , Sanchez-Villagra Marcelo R.
Published: July 2018

We present the first comprehensive review of the present and past shark and ray diversity in marine waters of Tropical America, examining the patterns of distribution in the Eastern Central Pacific (EP) and Western Central Atlantic (WA) realms. We identified the major regions of diversity and of endemism, and explored the relations to physical variables. We found a strong relationship between shark and ray diversity with area and coastal length of each province. The Tropical Northwestern Atlantic Province is characterized by high diversity and greater occurrence of endemic species, suggesting this province as the hotspot of sharks and rays in Tropical America. The historical background for the current biogeography is explored and analyzed. Referential data from 67 geological units in 17 countries, from both shallow and deep-water habitats, across five time-clusters from the Miocene to the Pleistocene were studied. New data include 20 new assemblages from six countries. The most diverse Neogene and extant groups of shark and ray are Carcharhiniformes and Myliobatiformes, respectively. The differentiation between Pacific and Atlantic faunas goes to at least the middle Miocene, probably related with the increasing closure of the Central American Seaway acting as a barrier. The highest faunal similarity between the assemblages from the EP and the WA at the early Miocene could be related to the lack of a barrier back then, but increased sampling is needed to substantiate this hypothesis.
Habitat and landscape factors influence pollinators in a tropical megacity, Bangkok, Thailand
Authors: Stewart Alyssa B. , Sritongchuay Tuanjit , Teartisup Piyakarn , Kaewsomboon Sakonwan , Bumrungsri Sara
Published: July 2018

Background

Pollinators are well known for the ecosystem services they provide, and while urban areas are generally perceived as low-quality habitat for most wildlife, these cities often support a surprising degree of pollinator diversity. The current rapid growth of urban areas and concern over global pollinator declines have spurred numerous studies examining pollinator communities in temperate cities, but knowledge about tropical urban pollinators remains scarce.

Methods

This study investigated the effects of habitat and landscape factors on pollinator richness and abundance in a highly-populated, tropical city: Bangkok, Thailand. We conducted pollinator observations in 52 green areas throughout the city and collected data on patch size, floral abundance, plant richness, location type, and percent vegetation at five spatial scales.

Results

Of the 18,793 pollinators observed, over 98% were bees. Both patch size and floral abundance generally had positive effects on pollinators, although there was a significant interaction between the two factors; these findings were generally consistent across all focal taxa (Tetragonula stingless bees, Apis honey bees, Xylocopa carpenter bees, and butterflies).

Discussion

Our results demonstrate the importance of maintaining large green areas in cities, since small green areas supported few pollinators, even when floral resources were abundant. Moreover, most pollinator taxa utilized a variety of location types (e.g., public parks, school campuses, temple grounds), with the exception of butterflies, which preferred parks. Our findings are generally consistent with those of temperate urban studies, but additional studies in the tropics are needed before global patterns can be assessed.
Hybrid Vesicular Drug Delivery Systems for Cancer Therapeutics
Authors: Mohammadi Marzieh , Taghavi Sahar , Abnous Khalil , Taghdisi Seyed Mohammad , Ramezani Mohammad , Alibolandi Mona
Published: July 2018

Nanoscale vesicles have provided a versatile platform for the transportation of various types of anticancer and diagnostic agents. Vesicular carriers comprised of liposomes, polymersomes, and peptide‐based vesicles have exhibited potential characteristics for nanomedicine developments. However, the represented systems and current therapeutic approaches to cancers are confronted with serious limitations that hinder their clinical translation. The aforementioned limitations could be minimized by implementing combinatorial hybrid systems. With this method, hybrid vesicular systems can integrate the advantages of several carriers into one structure thereby resulting in an increased therapeutic index and better clinical outcome. The current study has reviewed recently introduced types of hybrid vesicles made of polymer–lipids, polymer–peptides, and lipid–peptides, and its main focus is on multiple metallic‐based nanoparticles incorporated into vesicular carriers to provide theranostic platforms and to boost the efficient cytotoxic effects of the delivered agents.
Cobalt(III)‐Catalyzed C−H Activation: Counter Anion Triggered Desilylative Direct ortho‐Vinylation of Secondary Benzamides
Authors: Muniraj Nachimuthu , Prabhu Kandikere Ramaiah
Published: July 2018

A Co(III)‐catalyzed counter anion triggered desilylative direct ortho‐vinylation of secondary benzamides is reported. The reaction furnishes the alkenylated product, exclusively, and no formation of the possible cyclic products was observed. Mechanistic studies suggest that the counter anion, [SbF6]−, plays a crucial role in the desilylation. The utility of alkynylsilanes instead of terminal alkynes turned out to be a potential and practical approach to obtain the corresponding vinylated products. The developed methodology is compatible with a variety of functional groups.

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Transmission of Quantum Fisher Information through Fluctuating Quantum Fields
Authors: Jin Yao
Published: July 2018

Transmission of quantum Fisher information (QFI) of initially disentangled parties is studied and the results show that the indirect correlations generated by the environment, which is considered as a bath of fluctuating quantum fields, will help transmit the quantum information. Specifically, using N initially disentangled atoms—one in an excited state carried by one party (the sender, Alice) and the other in the ground state carried by the other parties (the receivers: Bob1, Bob2,…, Bob(N−1)), the phase factor of the state of another atom held by Alice can be transmitted from Alice to Bob with proper time. The transmitted QFI of the phase factor for each receiver has been calculated as a function of the transmitted distance as well as the measurement time and is found to be in relation with the concurrence of the pair of atoms that the sender and the receiver carry. For each transmitted distance, there exists an optimal measurement time to obtain the maximal transmitted QFI, which is in relation with the total number of receivers.
Ein Helicat‐basierter Schalter mit drei adressierbaren Zuständen
Authors: Chen Xiaofei , Gerger Thomas M. , Räuber Christoph , Raabe Gerhard , Göb Christian , Oppel Iris M. , Albrecht Markus
Published: July 2018

Die Kontrolle von Strukturveränderungen, die durch externe Signale gesteuert werden, ist von enormer Wichtigkeit für die Entwicklung neuer funktionaler Einheiten. In der vorliegenden Studie wird gezeigt, dass Helicate synthetisiert werden können, die auf die Anwesenheit unterschiedlicher Gegenionen strukturell reagieren und entweder eine gestauchte oder gestreckte Geometrie einnehmen. Reversibles Schalten ist nicht nur zwischen diesen beiden Zuständen möglich, vielmehr kann die Verdrillung der helikalen Gebilde ebenfalls kontrolliert werden. Drei von vier möglichen Zuständen des Helicats (gestreckt/linksgängig, gestreckt/rechtgängig, gestaucht/linksgängig) können im Fall eines chiralen Biscatecholesterliganden erreicht werden, indem Kationen eingeführt, ausgetauscht oder entfernt werden. Dies wird genutzt, um zwischen den drei Zuständen zu schalten oder sie gezielt zu adressieren.
A Helicate‐Based Three‐State Molecular Switch
Authors: Chen Xiaofei , Gerger Thomas M. , Räuber Christoph , Raabe Gerhard , Göb Christian , Oppel Iris M. , Albrecht Markus
Published: July 2018

The control of structural transformations triggered by external signals is important for the development of novel functional devices. In the present study, it is demonstrated that helicates can be designed to structurally respond to the presence of different counterions and to adopt either a compressed or an expanded structure. Reversible switching is not only possible between those two states, furthermore, the twist of the aggregate also can be controlled. Thus, three out of four possible states of a helicate (expanded/left‐handed, expanded/right‐handed, compressed/left‐handed) based on an enantiomerically pure ester bridged dicatecholate ligand are specifically addressed by introduction, exchange, or removal of countercations. This approach is used to reversibly switch between the different states or to successively address them.
Synthesis and cytotoxic evaluation of some substituted pyrazole zirconium (IV) complexes and their biological assay
Authors: El‐Shwiniy Walaa H. , Shehab Wesam S. , Mohamed Soha F. , Ibrahium Hend G.
Published: July 2018

Pyrazole and their derivatives are found to have intense biological efficiency. In the present work some substituted pyrazole derivatives were synthesized and used as ligands (4‐[2‐vinylthiophene]‐3‐methyl pyrozolin‐5(4H) ‐ one (L1), 4‐[4‐chloro benzylidine]‐3‐methyl pyrozolin‐5(4H) ‐ one (L2) and 4‐[4‐dimethylnitro benzylidine]‐3‐methylpyrozolin‐5(4H) ‐ one (L3)) to prepare the zirconium (IV) complexes. The synthesized ligands and their complexes were obtained as colored powdered materials and were characterized using magnetic measurements, melting point, molar conductance, infrared, electronic, 1HNMR, mass spectra and thermogravimetric analyses. All of the tested compounds showed good microbial activity against pathogenic microorganisms. The tested compounds exhibited considerable antitumor activity and cytotoxic specificity towards human colon carcinoma cell line (HCT‐116).
Facile access to carboxyl‐terminated polybutadiene and polyethylene fromcis‐polybutadiene rubber
Authors: Dai Lu , Wang Xixi , Bu Zhiyang , Li Bo‐Geng , Jie Suyun
Published: July 2018

Carboxyl‐terminated polybutadiene (CTPB) is a widely used telechelic liquid rubber, which is mainly prepared by anionic or free‐radical polymerization of 1,3‐butadiene. It is known that the microstructure of liquid polybutadiene rubber largely affects its processability and mechanical properties. However, it is hard to control its microstructure in the free radical or anionic polymerization. In this study, a series of CTPB with highcis‐1,4 content has been prepared for the first time via the oxidolysis and selective oxidation ofcis‐polybutadiene rubber (BR). Hydrogenation of their CC double bonds withp‐toluenesulfonyl hydrazide/tri‐n‐propylamine (TSH/TPA) reagents afforded carboxyl‐terminated polyethylenes (CTPE). For comparison, commercial CTPB (FCTPB), prepared by free‐radical polymerization of 1,3‐butadiene, was also hydrogenated and gave FCTPE with more ethyl branches. Linear CTPE (L‐CTPE) was synthesized by ring‐opening metathesis polymerization of 1,5‐cyclooctadiene in the presence of maleic acid and subsequent hydrogenation. The microstructure of the polymers was established by FT‐IR,1H NMR,13C NMR, and GPC and their thermal properties were determined by DSC and TGA. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2019,136, 46934.
A combined filtering approach to high‐frequency volatility estimation with mixed‐type microstructure noises
Authors: Tang Yinfen , Zhang Zhiyuan
Published: July 2018

This paper introduces a solution that combines the Kalman and particle filters to the challenging problem of estimating integrated volatility using high‐frequency data where the underlying prices are perturbed by a mixture of random noise and price discreteness. An explanation is presented of how the proposed combined filtering approach is able to correct for bias due to this mixed‐type microstructure effect. Simulation and empirical studies on the tick‐by‐tick trade price data for four US stocks in the year 2009 show that our method has clear advantages over existing high‐frequency volatility estimation methods.
Comparative performance analysis of the Cumulative Sum chart and the Shiryaev‐Roberts procedure for detecting changes in autocorrelated data
Authors: Polunchenko Aleksey S. , Raghavan Vasanthan
Published: July 2018

We consider the problem of quickest changepoint detection where the observations form a first‐order autoregressive (AR(1)) process driven by temporally independent standard white Gaussian noise. Subject to possible change are both the drift of the AR(1) process (μ) and its correlation coefficient (λ), which are both known. The change is abrupt and persistent, and of known magnitude, with |λ|<1 throughout. For this scenario, we carry out a comparative performance analysis of the popular cumulative sum (CUSUM) chart and its less well‐known but worthy competitor, ie, the Shiryaev‐Roberts (SR) procedure. Specifically, the performance is measured through Pollak's supremum (conditional) average delay to detection (SADD) constrained to a pre‐specified level of the average run length (ARL) to false alarm. Particular attention is drawn to the sensitivity of each procedure's SADD and ARL with respect to the value of λ before and after the change. The performance is studied through the solution of the respective integral renewal equations obtained via Monte Carlo simulations. The simulations are designed to estimate the sought performance metrics in an unbiased and consistent manner, and within a prescribed proportional closeness (also asymptotically). Our extensive numerical studies suggest that both the CUSUM chart and the SR procedure are asymptotically second‐order optimal, even though the CUSUM chart is found to be slightly better than the SR procedure, irrespective of the model parameters. Moreover, the existence of a worst‐case post‐change correlation parameter corresponding to the poorest detectability of the change for a given ARL to false alarm is established as well. To the best of our knowledge, this is the first time that the performance of the SR procedure is studied for autocorrelated data.
Dual doped biocompatible multicolor luminescent carbon dots for bio labeling, UV‐active marker and fluorescent polymer composite
Authors: Das Poushali , Ganguly Sayan , Mondal Subhadip , Ghorai Uttam Kumar , Maity Priti Prasanna , Choudhary Sumita , Gangopadhyay Subhashis , Dhara Santanu , Banerjee Susanta , Das Narayan Ch.
Published: July 2018

We report on metal–non‐metal doped carbon dots with very high photoluminescent properties in solution. Magnesium doping to tamarind extract associated with nitrogen‐doping is for the first time reported here which also produce very high quantum yield. Our aim is to develop such dual doped carbon dots which can also serve living cell imaging with easy permeation towards cells and show non‐cytotoxic attributes. More importantly, the chemical signatures of the carbon dots unveiled in this work can support their easy solubilization into water; even in sub‐ambient temperature. The cytotoxicity assay proves the almost negligible cytotoxic effect against human cell lines. Moreover, the use of carbon dots in UV‐active marker and polymer composites are also performed which gave clear distinguishable features of fluorescent nanoparticles. Hitherto, the carbon dots can be commercially prepared without adopting any rigorous methods and also can be used as non‐photo‐bleachable biomarkers of living cells.
Preventive justice: A paradigm in need of testing
Authors: Slobogin Christopher
Published: July 2018

This article is a revision of an address made at the 2016 annual conference of the American Psychology‐Law Society, in honor of receiving that organization's Distinguished Contribution Award. It sets forth a vision of the criminal justice system, and in particular the sentencing process, that is oriented toward preventive, rather than retributive, justice. After explaining preventive justice – a concept that in one form or another has been discussed for decades – and why it is worth revisiting at this time, the article proposes a number of hypotheses about the assumptions underlying preventive and retributive justice regimes. In the course of doing so, it references how the articles in this Special Issue of Behavioral Sciences and the Law address these hypotheses, and calls for further research from psychologists and other social scientists designed to test the fundamental assumptions of criminal law.
Phytochemical Profiles of Alpine Plant Horminum pyrenaicum L. during Phenological Growth Stages
Authors: Raudone Lina , Motiekaityte Vida , Vainoriene Rimanta , Zymone Kristina , Marksa Mindaugas , Janulis Valdimaras
Published: July 2018

Horminum pyrenaicum L. is a medicinal, aromatic and ornamental plant native to the Pyrenees and Alps. The phytochemical composition is affected by various ecological factors, climatic conditions and cultivating factors, and especially phenological growth stages. Flavonoids, phenolic acids and triterpenic acids were identified and quantified in the above‐ground parts of H. pyrenaicum during the phenological stages. The massive flowering was distinguished with the greatest total amounts of phenolic compounds (22232.8 μg/g), and rosmarinic acid was the predominant compound. The amounts of triterpenic compounds were at the lowest during the intense growth stage and significantly increased up to the massive flowering. The prevailing compounds were ursolic acid and betulinic acid, 12092.4 μg/g and 2618.9 μg/g, respectively. The major essential oil compounds were β‐phellandrene (56.6%), caryophyllene oxide (5.9%), (Z)‐caryophyllene (4.4%), myrcene (4.1%) and thymol (3.6%). Selecting the optimal harvesting time could ensure the herbal raw material rich with preferred bioactive compounds.
Nicotinamide adenine dinucleotide phosphate (NADPH) oxidase (NOX) and liver fibrosis: A review
Authors: Mortezaee Keywan
Published: July 2018

Nicotinamide adenine dinucleotide phosphate (NADPH) oxidases (NOXs) are key producer of reactive oxygen species in liver cells. Hepatic stellate cells (HSCs) and Kupffer cells (KCs) are the two key cells for expression of NOX in liver. KCs produce only NOX2, while HSCs produce NOX1, 2, and 4, all of which play essential roles in the process of fibrogenesis within liver. These NOX subtypes are contributed to induction of liver fibrosis by acting through multiple pathways including induction of HSC activation, proliferation, survival and migration, stimulation of hepatocyte apoptosis, enhancement of fibrogenic mediators, and mediation of an inflammatory cascade in both KCs and HSCs.

Significance

KCs and HSCs are two key cells for production of NOX in liver in relation to the pathology of liver fibrosis. NOX subtypes 1, 2, and 4 are inducers of fibrogenesis in liver. NOX activation favors hepatocyte apoptosis, HSC activation, and KC‐mediated inflammatory cascade in liver, all of which are responsible for generation of liver fibrosis.
Insulin‐like growth factor binding protein 4 inhibits proliferation of bone marrow mesenchymal stem cells and enhances growth of neurospheres derived from the stem cells
Authors: Li Huiwen , Yu Shukui , Hao Fei , Sun Xiaohong , Zhao Junpeng , Xu Qunyuan , Duan Deyi
Published: July 2018

Insulin‐like growth factor binding protein 4 (IGFBP‐4) was reported to trigger cellular senescence and reduce cell growth of bone marrow mesenchymal stem cells (BMSCs), but its contribution to neurogenic differentiation of BMSCs remains unknown. In the present study, BMSCs were isolated from the femur and tibia of young rats to investigate effects of IGFBP‐4 on BMSC proliferation and growth of neurospheres derived from BMSCs. Bone marrow mesenchymal stem cell proliferation was assessed using CCK‐8 after treatment with IGFBP‐4 or blockers of IGF‐IR and β‐catenin. Phosphorylation levels of Akt, Erk, and p38 in BMSCs were analysed by Western blotting. Bone marrow mesenchymal stem cells were induced into neural lineages in NeuroCult medium; the number and the size of BMSC‐derived neurospheres were counted after treatment with IGFBP‐4 or the blockers. It was shown that addition of IGFBP‐4 inhibited BMSC proliferation and immunodepletion of IGFBP‐4 increased the proliferation. The blockade of IGF‐IR with AG1024 increased BMSC proliferation and reversed IGFBP‐4‐induced proliferation inhibition; however, blocking of β‐catenin with FH535 did not. p‐Erk was significantly decreased in IGFBP‐4‐treated BMSCs. IGFBP‐4 promoted the growth of neurospheres derived from BMSCs, as manifested by the increases in the number and the size of the derived neurospheres. Both AG1024 and FH535 inhibited the formation of NeuroCult‐induced neurospheres, but FH535 significantly inhibited the growth of neurospheres in NeuroCult medium with EGF, bFGF, and IGFBP‐4. The data suggested that IGFBP‐4 inhibits BMSC proliferation through IGF‐IR pathway and promotes growth of BMSC‐derived neurospheres via stabilizing β‐catenin.
Squaramide‐IRMOF‐16 Analogue for Catalysis of Solvent‐Free, Epoxide Ring‐Opening Tandem and Multicomponent Reactions
Authors: Vignatti Claudia , Luis‐Barrera Javier , Guillerm Vincent , Imaz Inhar , Mas‐Ballesté Rubén , Alemán José , Maspoch Daniel
Published: July 2018

Tandem and multicomponent one‐pot reactions are highly attractive because they enable synthesis of target molecules in a single reaction vessel. However, they are difficult to control, as they can lead to the formation of many undesired side‐products. Herein we report the use of metal‐organic framework (MOF) pores decorated with organocatalytic squaramide moieties to confine ring‐opening epoxide reactions of diverse substrates. Controlled mono‐addition or tandem reactions inside the pores yield 1,2‐aminoalcohols or 1,2,2′‐aminodialcohols, respectively, in good yields. In addition, this squaramide‐functionalised MOF enables catalysis of higher‐complexity multicomponent reactions such as the catalytic ring‐opening of two different epoxides by a single amine to afford 1,2,2′‐aminodialcohols.
5th International Symposium on Reliable Flow of Particulate Solids(RELPOWFLO V)
Authors: Ratnayake Chandana , RamírezߚGómez Álvaro
Published: July 2018

No abstract.
Microfluidic Analyte Transport to Nanorods for Photonic and Electrochemical Sensing Applications
Authors: Lynn N. Scott , Homola Jiří
Published: July 2018

There has recently been a growing use of surface bound nanorods within electrochemical and optical sensing applications. Predictions of the microfluidic rate of analyte transport to such nanorods (either individual or to an array) remain important for sensor design and data analysis; however, such predictions are difficult, as nanorod aspect ratios can vary by several orders of magnitude. In this study, through the use of numerical simulation, we propose an explicit analytical approach to predict the steady‐state diffusion‐limited rate of mass transport to (individual) surface bound nanorods of variable aspect ratio. We show that, when compared to simulation, this approach provides accurate estimations across a wide range of Péclet numbers.
Redox Isomeric Surface Structures Are Preferred over Odd‐Electron Pt1+
Authors: Tempas Christopher D. , Skomski Daniel , Cook Brian J. , Le Duy , Smith Kevin A. , Rahman Talat S. , Caulton Kenneth G. , Tait Steven L.
Published: July 2018

The formation of metal–ligand coordination networks on surfaces that contain redox isomers is a topic of considerable interest and is important for bifunctional metallochemistry, including heterogeneous catalysis. Towards this end, a tetrazine with two electron withdrawing pyrimidinyl substituents was co‐deposited with platinum metal on the Au(100) surface. In a 2:1 metal:ligand ratio, only half of the platinum is oxidized to the +2 oxidation state, with the remainder coordinating to the ligand without charge transfer, as Pt0. The resultant Pt0/PtII mixed valence structure is thought to form due to the aversion of the ligand towards a four‐electron reduction and the strong preference of Pt towards 0 and +2 oxidation states. These results were confirmed through a series of experiments varying the on‐surface metal:ligand stoichiometry in the redox assembly formed: added oxidant does not oxidize the already complexed Pt0. Scanning tunneling microscopy reveals irregular chain structures that are attributed to the mixture of Pt valence states, each with distinct local coordination geometries. Density functional theory calculations give further detail about these local geometries. These results demonstrate the formation of a mixture of valence states in on‐surface redox assembly of metal‐organic networks that extends the library of single‐site metal structures for surface chemistry and catalysis. Redox‐isomeric Pt0 versus Pt2+ surface structures can coexist in this ligand environment.
Phase‐Engineered Growth of Ultrathin InSe Flakes by Chemical Vapor Deposition for High‐Efficiency Second Harmonic Generation
Authors: Huang Wenjuan , Gan Lin , Li Huiqiao , Ma Ying , Zhai Tianyou
Published: July 2018

As a novel layered indium selenide (InSe) semiconductor has been attracting considerable interest in the field of modern (opto)‐electronics. Despite current progress, the synthesis of ultrathin InSe nanoflakes still poses quite a challenge, due to its universal co‐existing varied stoichiometric compounds. In this work, a novel phase‐engineered route is proposed for synthesizing ultrathin single‐crystalline InSe nanoflakes with the assistance of a stable mass‐transfer process in a space‐confined chemical vapor deposition (CVD) system. By finely tuning the growth parameters, InSe can be obtained through engineering a phase‐transition thereby eliminating the undesirable In2Se3 phase, revealed by the synergistic effect of high‐content H2 and deficient Se. Furthermore, owing to the non‐centrosymmetric structure, the CVD‐grown InSe nanoflakes exhibit a high‐performance second harmonic generation (SHG), making it very promising for future SHG applications in 2D configurations. This approach paves the way for the synthesis of other similar ultrathin materials with multiphase homologous compounds.
Infrared absorbance spectroscopy of aqueous proteins: Comparison of transmission and ATR data collection and analysis for secondary structure fitting
Authors: Corujo Marco Pinto , Sklepari Meropi , Ang Dale L. , Millichip Mark , Reason Andrew , Goodchild Sophia C. , Wormell Paul , Amarasinghe Don Praveen , Lindo Viv , Chmel Nikola P. , Rodger Alison
Published: July 2018

Attenuated total reflectance (ATR) infrared absorbance spectroscopy of proteins in aqueous solution is much easier to perform than transmission spectroscopy, where short path‐length cells need to be assembled reproducibly. However, the shape of the resulting ATR infrared spectrum varies with the refractive index of the sample and the instrument configuration. Refractive index in turn depends on the absorbance of the sample. In this work, it is shown that a room temperature triglycine sulfate detector and a ZnSe ATR unit can be used to collect reproducible spectra of proteins. A simple method for transforming the protein ATR spectrum into the shape of the transmission spectrum is also given, which proceeds by approximating a Kramers‐Krönig–determined refractive index of water as a sum of four linear components across the amide I and II regions. The light intensity at the crystal surface (with 45° incidence) and its rate of decay away from the surface is determined as a function of the wave number–dependent refractive index as well as the decay of the evanescent wave from the surface. The result is a single correction factor at each wave number. The spectra were normalized to a maximum of 1 between 1600 cm−1 and 1700 cm−1 and a self‐organizing map secondary structure fitting algorithm, SOMSpec, applied using the BioTools reference set. The resulting secondary structure estimates are encouraging for the future of ATR spectroscopy for biopharmaceutical characterization and quality control applications.
Decision support systems for assessment of biorefinery transformation strategies
Authors: Benali Marzouk , Jeaidi Jawad , Mansoornejad Behrang , Ajao Olumoye , Gilani Banafsheh , Ghavidel Mehr Nima
Published: July 2018

The development of integrated biorefineries is one of the currently proposed strategies for transforming into a low carbon bio‐economy. Although different biorefining technologies can be integrated into host mills such as the Kraft and thermomechanical pulp processes, it is important to select the most appropriate technology taking into consideration the specificities and on‐site constraints. In this work, a decision support tool was developed and applied to industrial case studies for biorefinery implementation. Firstly, the tool was used for scenario‐based simultaneous analysis of the technical, economic, and environmental impacts in a single platform for different biorefinery implementation strategies. Its robustness and flexibility were demonstrated by two comprehensive industrial cases covering biorefinery transformation strategies for a Kraft pulp corporation involving three sites and a newsprint corporation with two sites. The tool made it possible to elucidate the advantages of lignin recovery implementation at modern and median Kraft pulping sites. Also, it revealed the objective basis for selecting between lignin recovery, hemicelluloses extraction, and thermochemical platforms biorefineries. The most suitable plant capacity for profitability was determined in the case of repurposing a median or average integrated newsprint mill into a biofuel production facility based on the pyrolysis platform. In a modern integrated newsprint mill, it was shown that phenol‐formaldehyde (PF) resins production can significantly decrease production costs, diversify the product portfolio, and mitigate risks associated with the core product line.
Effects of Plasma Pretreatment on ZnO Deposition by SILAR on SiO2, HfO2, and Glass Substrates
Authors: Higgins Marissa , Pintor‐Monroy Maria Isabel , Quevedo‐Lopez Manuel
Published: July 2018

Zinc oxide (ZnO) films are deposited onto glass, silicon oxide, and hafnium oxide substrates via the successive ionic layer adsorption and reaction (SILAR) method. The substrates are subjected to an oxygen plasma treatment prior to the deposition to increase the hydrophilic character of the film surface and improve the morphological and structural properties of the resulting ZnO films. Crystallinity, surface morphology, and thickness of the films with and without the plasma treatment are thoroughly evaluated by multiple characterization techniques. The oxygen plasma treatment increases the substrate's surface roughness significantly which results in an increase in the nucleation sites. The plasma treatment yields thicker films in all the substrates compared with substrates without the plasma treatment. The thickness of the ZnO deposited on glass substrates increases as the rinsing time increases, while the opposite is observed for films deposited on both silicon and hafnium oxide substrates. The higher porosity of the ZnO films grown on silicon dioxide and hafnium dioxide substrates leads to a higher surface area that increases the removal of the deposited ZnO on these substrates with the rinsing during the SILAR deposition, resulting in an overall thickness reduction of the film.
A rail‐to‐rail low‐power latch comparator with time domain bulk‐tuned offset cancellation for low‐voltage applications
Authors: Shahpari Nima , Habibi Mehdi
Published: July 2018

Low‐voltage high‐precision comparators are the main building blocks of many low‐power mixed‐mode electronic devices. In this paper, a rail‐to‐rail high‐precision comparator is introduced. The proposed comparator uses 2 parallel input P‐type metal‐oxide‐semiconductor pairs with a dynamic level shifter to ensure rail‐to‐rail operation. Moreover, the proposed circuit incorporates a rail‐to‐rail offset cancellation circuit. The offset cancellation circuit works based on a time domain bulk‐tuned negative feedback loop. The proposed comparator and offset cancellation circuits are designed to work correctly when the input common mode voltage varies from rail to rail. The rail‐to‐rail scheme allows the use of the proposed comparator in nanometer technologies, where the acceptable input range is limited. The proposed circuit was simulated in a standard 180 nm complementary metal‐oxide‐semiconductor technology, and the results proved the rail‐to‐rail comparison ability in addition to the rail‐to‐rail offset cancellation function. The overall power consumption of the comparator was only increased by 11% compared with the conventional non–rail‐to‐rail approach. The maximum clock frequency of the proposed circuit is 833 MHz, which is slightly more than its counterpart at similar operation conditions.
Cerebrospinal fluid flow increases from newborn to adult stages
Authors: Di Palma Camille , Goulay Romain , Chagnot Sebastien , Martinez De Lizarrondo Sara , Anfray Antoine , Salaun Jean‐Philippe , Maubert Eric , Lechapt‐Zalcman Emmanuèle , Andreiuolo Felipe , Gakuba Clément , Emery Evelyne , Vivien Denis , Gauberti Maxime , Gaberel Thomas
Published: July 2018

Solute transport through the brain is of major importance for the clearance of toxic molecules and metabolites, and it plays key roles in the pathophysiology of the central nervous system. This solute transport notably depends on the cerebrospinal fluid (CSF) flow, which circulates in the subarachnoid spaces, the ventricles and the perivascular spaces. We hypothesized that the CSF flow may be different in the perinatal period compared to the adult period. Using in vivo magnetic resonance imaging (MRI) and near‐infrared fluorescence imaging (NIRF), we assessed the dynamic of the CSF flow in rodents at different ages. By injecting a contrast agent into the CSF, we first used MRI to demonstrate that CSF flow gradually increases with age, with the adult pattern observed at P90. This observation was confirmed by NIRF, which revealed an increased CSF flow in P90 rats when compared with P4 rats not only at the surface of the brain but also deep in the brain structures. Lastly, we evaluated the exit routes of the CSF from the brain. We demonstrated that indocyanine green injected directly into the striatum spread throughout the parenchyma in adult rats, whereas it stayed at the injection point in P4 rats. Moreover, the ability of CSF to exit through the nasal mucosa was increased in the adult rodents. Our results provide evidence that the perinatal brain has nonoptimal CSF flow and exit and, thus, may have impaired clean‐up capacity. © 2018 Wiley Periodicals, Inc. Develop Neurobiol, 2018