bluuebunny/crossref_metadata_2025_split huggingface dataset:
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.
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

AbstractNanoscale 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

AbstractA 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.magnified image
Transmission of Quantum Fisher Information through Fluctuating Quantum Fields
Authors: Jin Yao 
Published: July 2018

AbstractTransmission 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

AbstractDie 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

AbstractThe 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.
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

ABSTRACTCarboxyl‐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

AbstractThis 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

AbstractWe 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

AbstractWe 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

AbstractThis 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.SignificanceKCs 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.
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

AbstractTandem 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.
Microfluidic Analyte Transport to Nanorods for Photonic and Electrochemical Sensing Applications
Authors: Lynn N. Scott , Homola Jiří 
Published: July 2018

AbstractThere 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

AbstractThe 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.