bluuebunny/crossref_metadata_2025 huggingface dataset:
Expression of calcification‐related ion transporters during blue mussel larval development
Authors: Ramesh Kirti , Yarra Tejaswi , Clark Melody S. , John Uwe , Melzner Frank
Published: May 2019

The physiological processes driving the rapid rates of calcification in larval bivalves are poorly understood. Here, we use a calcification substrate‐limited approach (low dissolved inorganic carbon, CT) and mRNA sequencing to identify proteins involved in bicarbonate acquisition during shell formation. As a secondary approach, we examined expression of ion transport and shell matrix proteins (SMPs) over the course of larval development and shell formation. We reared four families of Mytilus edulis under ambient (ca. 1865 µmol/kg) and low CT (ca. 941 µmol/kg) conditions and compared expression patterns at six developmental time points. Larvae reared under low CT exhibited a developmental delay, and a small subset of contigs was differentially regulated between ambient and low CT conditions. Of particular note was the identification of one contig encoding an anion transporter (SLC26) which was strongly upregulated (2.3–2.9 fold) under low CT conditions. By analyzing gene expression profiles over the course of larval development, we are able to isolate sequences encoding ion transport and SMPs to enhance our understanding of cellular pathways underlying larval calcification processes. In particular, we observe the differential expression of contigs encoding SLC4 family members (sodium bicarbonate cotransporters, anion exchangers), calcium‐transporting ATPases, sodium/calcium exchangers, and SMPs such as nacrein, tyrosinase, and transcripts related to chitin production. With a range of candidate genes, this work identifies ion transport pathways in bivalve larvae and by applying comparative genomics to investigate temporal expression patterns, provides a foundation for further studies to functionally characterize the proteins involved in larval calcification.
Chemoselective Reduction of Imines Catalyzed by Ruthenium(II) Half‐Sandwich Complexes: A Mechanistic Study
Authors: Reshi Noor U. Din , Kathuria Lakshay , Samuelson Ashoka G.
Published: May 2019

Ruthenium half‐sandwich complexes ligated to chiral 2‐oxazolidinethiones or 2‐thiozolidinethiones in the reduction of N‐benzylideneaniline using silyl hydrides as reductants has been examined. The chemoselective reduction of imines takes place under mild conditions to afford the corresponding amines in nearly quantitative yield. Mechanistic studies indicate that dissociation of the ancillary ligands generate the active catalyst in all the complexes studied, which is the same species generated by [Ru(p‐cymene)(Cl)2]2 under the reaction conditions. This results in the formation of a single catalytic species irrespective of the starting half‐sandwich complex. Detailed mechanistic studies involving trapping of intermediates, in situ studies using mass spectrometry and NMR spectroscopy were carried out using the active catalyst generated by [Ru(p‐cymene)(Cl)2]2. The mechanism of the reaction is dependent on the number of the hydrogen atoms in the reducing silane. The reaction proceeds via Gade‐Hoffman pathway or Zheng‐Chan pathway when a dihydro or trihydrosilane is the reductant. However, the use of a monohydrosilane, leads to longer reaction times presumably due to a change in the reaction pathway.
d‐Fructose Based Spiro‐Fused PHOX Ligands: Palladium Complexes and Application in Catalysis
Authors: Imrich Michael R. , Maichle‐Mössmer Cäcilia , Ziegler Thomas
Published: May 2019

Phosphinooxazoline (PHOX) ligands are an important class of ligands in asymmetric catalysis. Recently we reported on the synthesis of d‐fructose based spiro‐fused PHOX ligands. Here, we now present the application of these ligands in asymmetric alkylation. In addition, we prepared palladium complexes of our previous spiro‐PHOX ligands and characterized them by X‐ray crystallography. With the knowledge of the molecular structure of these spiro‐PHOX palladium complexes we prepared two “improved” d‐fructose based spiro‐fused PHOX ligands the application of which in asymmetric alkylation resulted in high enantioselectivities (er up to 93:7) in a broad substrate range.
Intrinsic Electrocatalysis of RNA as a Label‐free and Reagent‐less Tool for Detection of MicroRNAs
Authors: Římanková Ludmila , Ostatná Veronika , Bartošík Martin
Published: May 2019

We show for the first time that RNA catalyzes hydrogen evolution reaction at mercury‐containing electrodes. We previously showed that DNA is electrocatalytically active, and so we compared heights and potentials of the RNA chronopotentimetric stripping (CPS) peaks with analogous signals of DNA of the same sequence and found out they were very similar. RNA peaks showed differences depending on the RNA base composition. Catalytic nature of CPS peak enabled detection of 25 pM microRNA in electrochemical cell, or 500 pM microRNA in a 5 μL solution drop (corresponding to 2.5 fmole of microRNA). This finding opens the door for simple, label‐free and reagent‐less analysis of low concentrations of RNA molecules.
Immunomodulatory asthma therapy in the equine animal model: A dose‐response study and evaluation of a long‐term effect
Authors: Klier John , Bartl Carolin , Geuder Sabine , Geh Katharina J. , Reese Sven , Goehring Lutz S. , Winter Gerhard , Gehlen Heidrun
Published: May 2019

Introduction

Equine asthma represents a naturally occurring animal model for human allergic neutrophilic asthma. Inhalative nanoparticle‐bound cytosine‐phosphate‐guanosine (CpG‐GNP) immunotherapy, independent of specific allergens, has already shown promising clinical and immunological results in previous studies and offers the possibility to treat the underlying cause of the disease. This study analyses the relationship between dose and response, and evaluates a possible long‐term effect.

Methods

In the prospective, randomised, double‐blind clinical field study, 29 horses suffering from equine asthma received 10 inhalation treatments with either 187.5 µg CpG‐GNP (CpG single dose [CpGsd]; n = 11), 375 µg CpG‐GNP double dose (CpG double dose [CpGdd]; n = 9) (q48h for 20 days) or 1600 µg beclomethasone (n = 9) (q24h for 10 days). Each horse was examined three times: before the treatment (I), immediately after the 10 inhalations (II), and 8 weeks after the final inhalation (III). The three groups were compared according to clinical and laboratory parameters. The study examined the sustainability of the long‐term effect of the treatment after 8 weeks, as well as the tolerability of the formula as a double dose.

Results

The CpGsd resulted in a significant improvement in 82% of the parameters, the CpGdd in 72%. In the long‐term evaluation, the CpGsd showed a significant improvement in 100% of the parameters in comparison to the initial values, the CpGdd in 67%. On the immunological level, the bronchoalveolar lavage revealed a significant reduction of IL‐4, IL‐8, and interferon‐γ.

Conclusion

Both CpG groups displayed significant improvements in clinical and laboratory parameters, especially regarding the long‐term effect of CpGsd. Doubling the CpG dose did not result in any improvement in comparison to the original single dose. On the immunological level, an anti‐inflammatory, as well as an immunomodulatory effect, apart from a Th2‐dominated immune response, could be observed. This immunomodulatory inhalation treatment could indicate a new possibility for human allergic asthma therapy.
Safety and efficacy of autologous mononuclear cell and stem cell apheresis in very low‐weight children—Experience at a single center
Authors: Mielcarek‐Siedziuk Monika , Gajek Kornelia , Musiał Jakub , Rybka Blanka , Ryczan‐Krawczyk Renata , Stachowiak Mateusz , Ussowicz Marek
Published: May 2019

Background

Apheresis in children with low body weight is technically limited by their tolerance of the extracorporeal blood volume.

Study design and methods

This paper presents a single‐center experience with 23 procedures in 12 children with weights between 5.2 and 9.5 kg using the Spectra Optia mononuclear cell (MNC) protocol with blood priming.

Results

The average procedure duration was 158 minutes, and the median processed blood volume was 316 mL/kg. The white blood cell (WBC), platelet (PLT), and hemoglobin (HGB) values showed a downward trend with increased volume of processed blood. The post‐apheresis HGB concentration was increased in all procedures due to initial priming with packed red blood cells (PRBCs), but this effect disappeared at a level of ~400 mL of processed blood/kg. The median volume of the cellular product was 36 mL, the WBC count was 153 K/μL, the hematocrit (HCT) was 1.5%, the PLT count was 602 K/μL, the WBC collection efficacy (CE2) was 13.2%, and the PLT CE2 was 9.5%. The median CD34+ CE2 was 28%, and interpolation of the CD34+ CE2 yielded a Y‐intercept value of 32%. Higher pre‐collection CD34+ counts resulted in higher CD34+ yields. No correlation was found between the pre‐collection CD34+ results and CD34+ CE2.

CONCLUSION

The analyzed data demonstrated the feasibility and safety of apheresis in very low‐weight children. The laboratory abnormalities were asymptomatic and citrate toxicity was mild. Visual control of clogging with manual adjustment of the citrate infusion rate is important to reduce exposure to citrate.
Upregulated LOX and increased collagen content associated with aggressive clinicopathological features and unfavorable outcome in oral squamous cell carcinoma
Authors: Yu Miao , Shen Weili , Shi Xinzhan , Wang Qiong , Zhu Lifang , Xu Xiaohui , Yu Jinhua , Liu Laikui
Published: May 2019

Objectives

Collagen is a core protein that maintains the homeostasis of the extracellular matrix (ECM), and its dysregulation in human cancers has attracted increasing attention. In tumors, increased lysyl oxidase (LOX)‐catalyzed collagen cross‐linking plays a critical role in collagen dysregulation. However, the expression patterns of LOX and collagen and their clinicopathological significance in oral squamous cell carcinoma (OSCC) have not been well established.

Methods

The LOX mRNA expression in OSCC was measured by RT‐PCR and bioinformatics analysis. LOX protein expression and total collagen content were identified by immunohistochemistry or Masson's trichrome staining in a retrospective cohort of primary OSCC samples, respectively. Moreover, the associations between LOX and collagen expression and various clinicopathological parameters or patient survival were assessed.

Results

LOX mRNA was overexpressed in OSCC samples. Higher expression of LOX, collagen content or co‐overexpression of LOX and collagen was significantly associated with aggressive clinicopathological features. Importantly, aberrant expression of LOX, collagen content, or both were markedly correlated with decreased overall and disease‐free survival (P < 0.05). Moreover, univariate and multivariate Cox models analyses indicated that LOX, collagen content or their combination could serve as an independent prognostic predictor for OSCC patients. ROC analysis further revealed that the combination of LOX and collagen was superior to parameter alone as a prognostic predictor.

Conclusions

Our findings reveal that elevated LOX and collagen content significantly corelate with aggressiveness and worse prognosis in OSCC.
A red orange and lemon by‐products extract rich in anthocyanins inhibits the progression of diabetic nephropathy
Authors: Damiano Sara , Lombari Patrizia , Salvi Erika , Papale Massimo , Giordano Antonio , Amenta Margherita , Ballistreri Gabriele , Fabroni Simona , Rapisarda Paolo , Capasso Giovambattista , Forte Iris Maria , Barone Daniela , Ciarcia Roberto
Published: May 2019

The major cause of end‐stage renal disease is the diabetic nephropathy. Oxidative stress contributes to the development of type II diabetes mellitus (T2DM). In this study we have evaluated the effect of a diet with a new standardized of red orange and lemon extract (RLE) rich in anthocyanins (ANT) in the progression of the kidney disease on Zucker diabetic fatty rats. Oxidative stress and renal function were analyzed. In diabetic rats, the RLE restored the blood glucose levels, body weight, and normalized the reactive oxygen species (ROS) total pathways. The kidney inflammation, in diabetic rats, has not shown significant change, showing that the oxidative stress rather than to inflammatory processes is a triggering factor in the renal complication associated with T2DM. Therefore, the administration of the RLE prevents this complication and this effect could be related to the inhibition of ROS production.
Distance matching extension and local structure of graphs
Authors: Aldred R. E. L. , Fujisawa Jun , Saito Akira
Published: May 2019

A matching in a graph is said to be extendable if there exists a perfect matching of containing . Also, is said to be a distance matching if the shortest distance between a pair of edges in is at least . A graph is distance matchable if every distance matching is extendable in , regardless of its size. In this paper, we study the class of distance matchable graphs. In particular, we prove that for every integer with , there exists a positive integer such that every connected, locally ‐connected ‐free graph of even order is distance matchable. We also prove that every connected, locally ‐connected ‐free graph of even order is distance matchable. Furthermore, we make more detailed analysis of ‐free graphs and study their distance matching extension properties.
Analysis of power management and cost minimization in MG—A hybrid GOAPSNN technique
Authors: Roy Kallol
Published: May 2019

This paper presents a hybrid technique for optimal power flow management and production cost minimization of microgrid (MG)‐connected system with renewable energy sources (RES). The hybrid technique is the joint execution of both the particle swarm optimization (PSO)–aided artificial neural network (ANN) and grasshopper optimization algorithm (GOA) named as GOAPSNN technique. The proposed technique is concerned with the mathematical optimization problems that involve more than one objective function to be optimized. At first, the PSO‐ANN technique predicts the load demand in the MG‐connected system by using the inputs of MG‐connected system like photovoltaic (PV) system, wind turbine (WT), microturbine (MT), diesel engine (DE), and battery. According to the load demand, GOA is utilized to choose an optimal configuration of MG, ie, fuel cost minimization, emission factors, operating, and maintenance cost. The proposed technique is executed in MATLAB/Simulink platform and compared with the existing strategies, such as squirrel optimization with gravitational search–aided neural network (SOGSNN), adaptive neuro‐fuzzy interference system and advanced salp swam optimization algorithm (ANFASO). In this paper, the maximum generated power of PV, WT, MT, and battery is 7.9, 9.8, 15.7, and 4.56 kW, respectively. The state of charge (SoC) of the proposed technique is investigated, which is around 83%. In light of the load demand, the proposed approach has less production cost.
Research confidence, interest and experience of an Australian hospital pharmacy population
Authors: Waddell Jason J. , Semciw Adam I.
Published: May 2019

Background

There are few publications evaluating the research experience of hospital pharmacists in Australia.

Aim

This study evaluated the research interest, confidence and experience of an Australian hospital pharmacist population.

Methods

A cross‐sectional survey was undertaken in a health service. Demographic information was collected and study participants completed a validated questionnaire to evaluate their interest, confidence and experience in research. Differences between overall levels of interest, confidence and experience were evaluated using non‐parametric analysis of variance (ANOVA), whereas relationships of these with demographic variables were explored with multilinear regression. Participants listed the number of times they completed a range of research‐related tasks, as well as barriers to and support for participating in research.

Results

Pharmacists exhibited high levels of interest in research but had comparatively lower levels of confidence and experience (p < 0.017 for all). Pharmacists undertook most of the research tasks less than five times in the past 5 years. Research interest was associated with qualifications and belief that research can influence practice (r2 = 0.175, p < 0.05); research confidence was associated with qualifications and gender (r2 = 0.405, p < 0.05); research experience was associated with years of experience and qualifications (r2 = 0.380, p < 0.01). Time was the most common barrier to participation in research. The level of departmental support was high, but one‐third of participants declined to answer this question.

Conclusion

Research interest, confidence and experience were associated with possession of a postgraduate research qualification. Pharmacy professional organisations, pharmacy departments and educational institutions should consider ways to encourage pharmacists to complete a postgraduate qualification.
Effects of ozone postharvest treatment on physicochemical and qualitative traits of Actinidia chinensis ‘Soreli’ during cold storage
Authors: Goffi Valentina , Zampella Luigi , Forniti Roberto , Petriccione Milena , Botondi Rinaldo
Published: May 2019

BACKGROUND

Ozone has been used for improving the postharvest life of fruits and vegetables. Ozonation, an alternative decontamination method, can be applied effectively to perishable commodities immediately after harvest. Kiwifruit is a subtropical climacteric fruit that is less able to acclimate and is susceptible to low temperatures.

In this study, we investigated the influence of ozone and different storage temperatures on the physico‐chemical and qualitative features in Actinidia chinensis ‘Soreli’. The fruits were treated with a continuous flow of ozone in air (300 ppb), stored at 2 and 4 °C for 60 days, and sampled every 15 days.

RESULTS

It was found that ozone treatment induced the ripening process; this was evident at the end of the storage, with higher soluble solids content for ozone‐treated fruits at 2 and 4 °C. Storage temperatures and gaseous ozone treatment influenced in a different manner the bioactive compounds, such as polyphenols, flavonoids, ascorbic acid, and carotenoids. Additionally, under gaseous ozone storage, microbial growth was delayed, improving the microbial quality index when the fruits were stored at the lowest storage temperature (2 °C).

Principal component analysis highlighted that the effects of storage temperature on physico‐chemical and bioactive compounds were greater than the postharvest treatment.

CONCLUSION

Storage temperature influenced the postharvest life of ‘Soreli’. Storage at 2 °C and under 300 ppb gaseous ozone improved the yellow‐fleshed fruit storage life. However, storage at 4 °C under 300 ppb gaseous ozone did not show advantages in preserving the fruit quality. © 2019 Society of Chemical Industry
Comparison of Carotenoids for Their Antifibrogenic Effects in Hepatic Stellate Cells
Authors: Bae Minkyung , Kim Mi‐Bo , Kang Hyunju , Park Young‐Ki , Lee Ji‐Young
Published: May 2019

Hepatic stellate cells (HSC) have an important role in the development of liver fibrosis by producing extracellular matrix proteins when they are activated upon liver injury. We previously demonstrated that astaxanthin (ASTX), a xanthophyll carotenoid, attenuates HSC activation. The objective of this study was to compare the anti‐fibrogenic effects of ASTX with those of other common carotenoids. LX‐2 cells, a human HSC cell line, were treated with ASTX, lycopene, lutein (LT), zeaxanthin, or canthaxanthin, to measure messenger RNA (mRNA) and protein expression of pro‐fibrogenic genes. Pro‐fibrogenic gene expressions were also measured in ASTX‐ or LT‐treated primary mouse HSC. To determine the underlying mechanisms of the anti‐fibrogenic effect of ASTX and LT, SMA‐related and MAD‐related protein 3 (SMAD3) pathways and the accumulation of reactive oxygen species (ROS) were measured in LX‐2 cells. Among five carotenoids tested, ASTX and LT attenuated HSC activation in LX‐2 cells by reducing the mRNA and protein levels of pro‐fibrogenic genes, such as smooth muscle α actin and procollagen type I α1 (COL1A1). In addition, both ASTX and LT significantly decreased the expression of pro‐fibrogenic genes, including COL1A1, COL3A1, and COL6A1, in activated primary mouse HSC, with ASTX being more potent than LT. The anti‐fibrogenic effect of ASTX was mediated by inhibiting the phosphorylation of SMAD3 and cellular ROS accumulation, while LT only prevented the accumulation of ROS in LX‐2 cells. In conclusion, ASTX showed the most potent anti‐fibrogenic effect among the five carotenoids via inhibition of SMAD3 phosphorylation and cellular ROS accumulation while LT only prevented ROS levels in HSC.
Preparation of Nonspherical Fluorinated Acrylate Polymer Particles by a “Surface Tension Controlling” Method and Their Applications in Light‐Diffusing Films
Authors: Wu Gang , Li Wei , Ni Weinan , Chen Lei , Sun Gang , You Bo
Published: May 2019

A facile “surface tension controlling” method is proposed for the preparation of nonspherical fluorinated acrylate polymer particles (FANPPs) with four different morphologies by adjusting the compositions of polystyrene (PS) cores and monomers in shell layers. The FANPPs are fabricated through an inexpensive and template‐free emulsion polymerization process that allows control of their morphologies. Scanning electronic microscopy, the Wilhelmy plate method, and differential scanning calorimetry are applied to investigate the structures and properties of the FANPPs. The formation mechanism of these unique morphologies is rationalized in terms of a selective wetting process, whereby surface tension and incompatibility between the PS cores and fluorinated shell layers are modified. These novel nanoparticles are first applied to fabricate light‐diffusing films that show both high transmittance and high haze value. The light‐diffusing properties are tested by means of a haze meter. The nonspherical structure of the FANPPs greatly influences their light‐diffusing properties.
Tracing zoonotic parasite infections throughout human evolution
Authors: Ledger Marissa L. , Mitchell Piers D.
Published: May 2019

Parasites are useful pathogens to explore human–animal interactions because they have diverse life cycles that often rely on both as hosts. Moreover, some species are not host specific and are transmitted between animals and humans. Today most emerging infections are zoonoses. Here, we take a specific look at the emergence and re‐emergence of zoonotic parasites throughout hominin evolution and consider evolutionary, cultural, and ecological factors involved in this. We combine genetic studies focused on molecular phylogenetic reconstructions, most often using the ribosomal RNA gene unit and mitochondrial genes from modern parasites, archaeological evidence in the form of preserved parasite eggs and antigens in skeletal and mummified remains, and modern epidemiological data to explore parasite infections throughout hominin evolution. We point out the considerably ancient origins of some key zoonotic parasites and their long coevolutionary history with humans and discuss factors contributing to the presence of many zoonotic parasites in the past and today including dietary preferences, urbanization, waste disposal, and the population density of both humans and domesticated animals.
Novel drug‐eluting soy‐protein structures for wound healing applications
Authors: Baranes‐Zeevi Maya , Goder Daniella , Zilberman Meital
Published: May 2019

Naturally derived materials are becoming widely used in the biomedical field. Soy protein has advantages over the various types of natural proteins employed for biomedical applications due to its low price, nonanimal origin, and relatively long storage time and stability. In the current study, novel drug‐eluting soy‐protein films for wound healing applications were developed and studied. The films were prepared using the solvent casting technique. The analgesic drug bupivacaine and two types of wide range antibiotics (gentamicin and clindamycin) were incorporated into the soy‐protein films. The effect of drug incorporation and plasticizers content on the films' mechanical properties, drug release profiles, and cell viability was studied. Drug incorporation had a softening effect of the films, lowering mechanical strength and increasing ductility. Release profiles of bupivacaine and clindamycin exhibited high burst release of 80% to 90% of encapsulated drug within 6 hours, followed by continuous release in a decreasing rate for a period of 2 to 4 days. Gentamicin release was prolonged, probably due to interaction between the gentamicin and the polymer chains. Hybrid soy‐protein/poly (Dl‐lactic‐co‐glycolic acid) (PDLGA) microspheres structure showed potential for long and sustained release of bupivacaine. Films with no drugs and films loaded with gentamicin were found to be noncytotoxic for human fibroblasts, while bupivacaine and clindamycin were found to have some effect on cell growth. In conclusion, our new drug‐loaded soy‐protein films combine good mechanical properties and biocompatibility, with desired drug release profiles, and can therefore be potentially very useful as burn and ulcer dressings.
Effect of biodiesel on polyamide‐6‐based polymers
Authors: Zhao Jianwei , Mallick Pankaj K.
Published: May 2019

Biodiesel is considered one of the best alternative fuel sources in the transportation industry, but it has shown aggressive characteristics on materials that are used in fuel storage and delivery systems in vehicles. In this study, the effect of biodiesel (B100) on the properties of two polyamide‐6‐based semicrystalline polymers was studied and compared with that of diesel and a 20/80 blend of biodiesel and diesel (B20). Experiments were conducted using room temperature immersion tests in the three fuels for 720 h followed by postimmersion thermal and mechanical tests. In all three fuels, the polymers exhibited non‐Fickian weight increase during immersion and did not achieve equilibrium level of absorption in 720 h. The glass transition temperature (Tg), yield and tensile strengths, storage modulus, and peak tan δ decreased after immersion, while the degree of crystallinity and loss modulus increased. Fourier transform infrared spectroscopy study showed that no chemical changes occurred due to immersion. It is concluded that all three fuels absorbed into the polymers acted as plasticizers which caused the observed changes in the properties of the two polymers investigated in this research. POLYM. ENG. SCI., 59:1445–1454 2019. © 2019 Society of Plastics Engineers
Bipolar charge transport in organic electron donor‐acceptor systems with stable organic radicals as electron‐withdrawing moieties
Authors: Bobet Ares , Cuadrado Alba , Fajarí Lluís , Sirés Ignasi , Brillas Enric , Almajano Maria Pilar , Jankauskas Vygintas , Velasco Dolores , Juliá Luis
Published: May 2019

Two very stable organic radical adducts 1 and 2 formed by an electron donor‐acceptor system with bipolar charge transport behavior have been investigated. Both present the same electron donor moiety, 3,6‐bis(N‐carbazolyl)carbazole, and are distinguished by the paramagnetic electron‐withdrawing moiety, tris(2,3,5,6‐tetrachlorophenyl)methyl radical (DTM) in 1 and tris(2,4,6‐trichlorophenyl)methyl radical (TTM) in 2. They exhibit low band gaps (difference between HOMO and LUMO orbitals), 1.54 and 1.81 eV for 1 and 2, respectively, absorbing in the visible rang of the electromagnetic spectrum. Both radical adducts present suitable charge transport results with the DTM derivative 1 showing the best performance. Thus, 1 with higher structural congestion displays a well‐balanced ambipolar behavior and the highest hole and electron mobility values.
Experimental Evaluation of Undersampling Schemes for Electron Tomography of Nanoparticles
Authors: Vanrompay Hans , Béché Armand , Verbeeck Johan , Bals Sara
Published: May 2019

One of the emerging challenges in the field of 3D characterization of nanoparticles by electron tomography is to avoid degradation and deformation of the samples during the acquisition of a tilt series. In order to reduce the required electron dose, various undersampling approaches have been proposed. These methods include lowering the number of 2D projection images, reducing the probe current during the acquisition, and scanning a smaller number of pixels in the 2D images. A comparison is made between these approaches based on tilt series acquired for a gold nanoparticle.
Progress in Additive Manufacturing of Energetic Materials: Creating the Reactive Microstructures with High Potential of Applications
Authors: Muravyev Nikita V. , Monogarov Konstantin A. , Schaller Uwe , Fomenkov Igor V. , Pivkina Alla N.
Published: May 2019

The modern “energetic‐on‐a‐chip” trend envisages reducing size and cost while increasing safety and maintaining the performance of energetic articles. However, the fabrication of reactive structures at micro‐ and nanoscales remains a challenge due to the spatial limitations of traditional tools and technologies. These mature techniques, such as melt casting or slurry curing, represent the formative approach to design as distinct from the emerging additive manufacturing (3D printing). The present review discusses various methods of additive manufacturing based on their governing principles, robustness, sample throughput, feasible compositions and available geometries. For chemical composition, nanothermites are among the most promising systems due to their high ignition fidelity and energetic performance. Applications of reactive microstructures are highlighted, including initiators, thrusters, gun propellants, caseless ammunition, joining and biocidal agents. A better understanding of the combustion and detonation phenomena at the micro‐ and nanoscale along with the advancement of deposition technologies will bring further developments in this field, particularly for the design of micro/nanoelectromechanical systems (MEMS/NEMS) and propellant grains with improved performance.
Coupling dynamics and evolutionary information with structure to identify protein regulatory and functional binding sites
Authors: Mishra Sambit K. , Kandoi Gaurav , Jernigan Robert L.
Published: May 2019

Binding sites in proteins can be either specifically functional binding sites (active sites) that bind specific substrates with high affinity or regulatory binding sites (allosteric sites), that modulate the activity of functional binding sites through effector molecules. Owing to their significance in determining protein function, the identification of protein functional and regulatory binding sites is widely acknowledged as an important biological problem. In this work, we present a novel binding site prediction method, Active and Regulatory site Prediction (AR‐Pred), which supplements protein geometry, evolutionary, and physicochemical features with information about protein dynamics to predict putative active and allosteric site residues. As the intrinsic dynamics of globular proteins plays an essential role in controlling binding events, we find it to be an important feature for the identification of protein binding sites. We train and validate our predictive models on multiple balanced training and validation sets with random forest machine learning and obtain an ensemble of discrete models for each prediction type. Our models for active site prediction yield a median area under the curve (AUC) of 91% and Matthews correlation coefficient (MCC) of 0.68, whereas the less well‐defined allosteric sites are predicted at a lower level with a median AUC of 80% and MCC of 0.48. When tested on an independent set of proteins, our models for active site prediction show comparable performance to two existing methods and gains compared to two others, while the allosteric site models show gains when tested against three existing prediction methods. AR‐Pred is available as a free downloadable package at https://github.com/sambitmishra0628/AR-PRED_source.
Structures of Hsp90α and Hsp90β bound to a purine‐scaffold inhibitor reveal an exploitable residue for drug selectivity
Authors: Huck John D. , Que Nanette L. S. , Sharma Sahil , Taldone Tony , Chiosis Gabriela , Gewirth Daniel T.
Published: May 2019

Hsp90α and Hsp90β are implicated in a number of cancers and neurodegenerative disorders but the lack of selective pharmacological probes confounds efforts to identify their individual roles. Here, we analyzed the binding of an Hsp90α‐selective PU compound, PU‐11‐trans, to the two cytosolic paralogs. We determined the co‐crystal structures of Hsp90α and Hsp90β bound to PU‐11‐trans, as well as the structure of the apo Hsp90β NTD. The two inhibitor‐bound structures reveal that Ser52, a nonconserved residue in the ATP binding pocket in Hsp90α, provides additional stability to PU‐11‐trans through a water‐mediated hydrogen‐bonding network. Mutation of Ser52 to alanine, as found in Hsp90β, alters the dissociation constant of Hsp90α for PU‐11‐trans to match that of Hsp90β. Our results provide a structural explanation for the binding preference of PU inhibitors for Hsp90α and demonstrate that the single nonconserved residue in the ATP‐binding pocket may be exploited for α/β selectivity.
Reduced cadherin expression associated with resistance to Bt toxin Cry1Ac in pink bollworm
Authors: Fabrick Jeffrey A , Mathew Lolita G , LeRoy Dannialle M , Hull J Joe , Unnithan Gopalan C , Yelich Alex J , Carrière Yves , Li Xianchun , Tabashnik Bruce E
Published: May 2019

BACKGROUND

Better understanding of the molecular basis of resistance is needed to improve management of pest resistance to transgenic crops that produce insecticidal proteins from Bacillus thuringiensis (Bt). Here we analyzed resistance of the pink bollworm (Pectinophora gossypiella) to Bt toxin Cry1Ac, which is used widely in transgenic Bt cotton. Field‐evolved practical resistance of pink bollworm to Cry1Ac is widespread in India, but not in China or the United States. Previous work with laboratory‐ and field‐selected pink bollworm indicated that resistance to Cry1Ac is caused by changes in the amino acid sequence of a midgut cadherin protein (PgCad1) that binds Cry1Ac in susceptible larvae.

RESULTS

Relative to a susceptible strain, the laboratory‐selected APHIS‐R strain had 530‐fold resistance to Cry1Ac with autosomal recessive inheritance. Unlike previous results, resistance in this strain was not consistently associated with insertions or deletions in the expected amino acid sequence of PgCad1. However, this resistance was associated with 79‐ to 190‐fold reduced transcription of the PgCad1 gene and markedly lower abundance of PgCad1 protein.

CONCLUSION

The ability of pink bollworm and other major pests to evolve resistance to Bt toxins via both qualitative and quantitative changes in receptor proteins demonstrates their remarkable adaptability and presents challenges for monitoring and managing resistance to Bt crops. © 2019 Society of Chemical Industry
Annealing and LEEBI Effects on the Stacking Fault Expansion and Shrinking in 4H‐SiC
Authors: Orlov Valery I. , Yakimov Eugene E. , Yakimov Eugene B.
Published: May 2019

The expansion of generated by indentation Shockley‐type stacking faults (SSFs) due to e‐beam irradiation is studied. It is shown that SSFs can expand even outside the irradiation region. The dislocation velocity is independent of SSF size and practically linear increases with beam current. These results allow to conclude that the dislocation glide is enhanced by the excess carrier recombination. It is shown that the driving force for the SSF expansion is mainly determined by the energy gain due to electron capture into quantum wells associated with SSFs.
Fundamental Characteristics of Cyanide‐Related Multielement Molecular Ion‐Implanted Epitaxial Si Wafers for High‐Performance CMOS Image Sensors
Authors: Suzuki Akihiro , Kadono Takeshi , Hirose Ryo , Okuyama Ryosuke , Masada Ayumi , Shigematsu Satoshi , Kobayashi Koji , Koga Yoshihiro , Kurita Kazunari
Published: May 2019

Fundamental characteristics such as metal‐gettering capability and defect morphology of a cyanide‐related multielement molecular (CH4N) ion‐implanted epitaxial silicon (Si) wafer are investigated. It is found that the CH4N ion‐implanted epitaxial Si wafer has a higher gettering capability for transition metallic impurities than a hydrocarbon molecular (C3H5) ion‐implanted epitaxial Si wafer. This higher metal‐gettering capability of the CH4N ion‐implanted epitaxial Si wafer may be due to the formation of stacking faults as well as carbon (C) agglomeration defects in the CH4N ion‐implanted region during the epitaxial Si layer growth process. The formation of stacking faults may be a specific phenomenon in the case of the CH4N ion implantation. In addition, the CH4N ion‐implanted region can trap high concentrations of hydrogen (H) and nitrogen (N) atoms during the epitaxial Si growth. This fact suggests that the distribution of N atoms is strongly associated with the defect morphology and C distribution in the CH4N ion‐implanted region. The CH4N ion‐implanted epitaxial Si wafer with these characteristics has the potential to improve the performance of complementary metal‐oxide‐semiconductor (CMOS) image sensors.
Enhanced Second‐Harmonic Generation in a Single Microwire Based on Localized Surface Plasmon
Authors: Li Jinyu , Zhu Hai , Chen Zhiyang , Huang Ying , Zheng Huying , Tang Ziying , Gui Xuchun , Wang Shuangpeng , Tang Zikang , Ni Peinan , Genevet Patrice
Published: May 2019

The properties of enhanced second‐harmonic generation (SHG) in microwires (MWs) through surface plasmonics have been investigated comprehensively. Here, the high Q‐factor hexagonal microcavity of a single MW can significantly confine the fundamental frequency of light. Moreover, randomly distributed Ag nanoparticles are fabricated on a template plate, which is used to enhance the SHG through localized surface plasmon (LSP). Compared with a bare MW, the intensity of the SHG based on LSP can be enhanced twofold at room temperature. It is seen that the LSP effect on SHG is sensitive to temperature, and the enhancement ratio partly increases linearly with decreasing temperature, which can be explained by the dependence of the metal dielectric permittivity on the temperature according to the Drude model.
Design of an X̅ control chart with guaranteed joint in‐control and out‐of‐control performances when the mean and variance are estimated
Authors: Mosquera Jaime , Aparisi Francisco , Epprecht Eugenio K.
Published: May 2019

During phase I analysis, the mean and variability of the process are estimated, in order to obtain the control limits for the chart. The effect of the estimation errors in the performance of the chart (phase II) has been widely studied in the literature. However, the papers have been mainly orientated to the in‐control performance of the chart. In this paper, the in‐control and out‐of‐control performances of the
control chart are considered at the same time. Therefore, the number of samples to be taken in the phase I analysis is calculated, taking into account the possible deterioration of both metrics. In addition, an adjustment in the control limit is proposed, to reduce this number of samples.
How effectively bonding evolution theory retrieves and visualizes curly arrows: The cycloaddition reaction of cyclic nitrones
Authors: Adjieufack Abel I. , Mbah Bake Maraf , Ketcha Mbadcam Joseph , Mbouombouo Ndassa Ibrahim , Andrés Juan , Oliva Mónica , Safont Vicent S.
Published: May 2019

In the present work, the electron density flows involved throughout the progress of the four reaction pathways associated with the intramolecular [3 + 2] cycloaddition of cyclic nitrones Z‐1 and E‐1 are analyzed using the bonding evolution theory. The present study highlights the nonconcerted nature of the processes, which can be described as taking place in several stages. The first stage consists in the depopulation of the initial CN and CC double bonds to render the N lone pair and the corresponding CN and CC single bonds, and these electronic flows initiate the reactions. The CC and CO sigma bond formations take place later on, once the transition states have been overcome. Along the bridged pathways, the CC bond formation process precedes the OC bond formation event, although, along the fused paths, the OC bond formation process occurs first and the formation of the CC bond is the last electronic flow to take place. Finally, curly arrow representations accounting for the timing of the electron flows are obtained from the bonding evolution theory results.
External stability of Caputo fractional‐order nonlinear control systems
Authors: Wu Cong , Ren Jiaojiao
Published: May 2019

This paper investigates external stability of Caputo fractional‐order nonlinear control systems. Following the idea of a traditional Lyapunov function method, we point out the problems that would appear when applying it for fractional external stability. These problems are shown to be solvable by employing results on smoothness of solutions, but this method generalized for Caputo fractional‐order nonlinear control systems requires strong conditions to be imposed on vector field functions and inputs. To further explore the fractional external stability, diffusive realizations and Lyapunov‐like functions are taken into consideration. Specifically, a Caputo fractional‐order nonlinear control system with certain assumptions proves to be equivalent to its diffusive realization; a Lyapunov‐like function based on the realization exhibits properties useful to prove the external stability. As expected, this Lyapunov‐like method has weaker requirements. Finally, it is applied to the external stabilization of a Caputo fractional‐order Chua's circuits with inputs.
Gene Modification and Three-Dimensional Scaffolds as Novel Tools to Allow the Use of Postnatal Thymic Epithelial Cells for Thymus Regeneration Approaches
Authors: Bortolomai Ileana , Sandri Monica , Draghici Elena , Fontana Elena , Campodoni Elisabetta , Marcovecchio Genni Enza , Ferrua Francesca , Perani Laura , Spinelli Antonello , Canu Tamara , Catucci Marco , Di Tomaso Tiziano , Sergi Sergi Lucia , Esposito Antonio , Lombardo Angelo , Naldini Luigi , Tampieri Anna , Hollander Georg A. , Villa Anna , Bosticardo Marita
Published: May 2019

Defective functionality of thymic epithelial cells (TECs), due to genetic mutations or injuring causes, results in altered T-cell development, leading to immunodeficiency or autoimmunity. These defects cannot be corrected by hematopoietic stem cell transplantation (HSCT), and thymus transplantation has not yet been demonstrated to be fully curative. Here, we provide proof of principle of a novel approach toward thymic regeneration, involving the generation of thymic organoids obtained by seeding gene-modified postnatal murine TECs into three-dimensional (3D) collagen type I scaffolds mimicking the thymic ultrastructure. To this end, freshly isolated TECs were transduced with a lentiviral vector system, allowing for doxycycline-induced Oct4 expression. Transient Oct4 expression promoted TECs expansion without drastically changing the cell lineage identity of adult TECs, which retain the expression of important molecules for thymus functionality such as Foxn1, Dll4, Dll1, and AIRE. Oct4-expressing TECs (iOCT4 TEC) were able to grow into 3D collagen type I scaffolds both in vitro and in vivo, demonstrating that the collagen structure reproduced a 3D environment similar to the thymic extracellular matrix, perfectly recognized by TECs. In vivo results showed that thymic organoids transplanted subcutaneously in athymic nude mice were vascularized but failed to support thymopoiesis because of their limited in vivo persistence. These findings provide evidence that gene modification, in combination with the usage of 3D biomimetic scaffolds, may represent a novel approach allowing the use of postnatal TECs for thymic regeneration. Stem Cells Translational Medicine  2019;8:1107–1122
3‐1: Psychophysical Evaluation of Persistence‐ and Frequency‐Limited Displays for Virtual and Augmented Reality
Authors: Scott Murdison T. , McIntosh Christopher , Hillis James , MacKenzie Kevin J.
Published: May 2019

Little is known about user sensitivity to flicker and eye movement‐induced ghosting at refresh rates and persistence levels relevant for head‐mounted displays (HMDs). In this report, we describe a pair of psychophysical experiments that we performed to comprehensively quantify these artifacts and make general recommendations for HMD design.
4‐5: Quantum Dot Design Criteria for Color Conversion in MicroLED Displays
Authors: Osinski Julian , Palomaki Peter
Published: May 2019

Published absorption values of common types of colloidal quantum dots have been used to calculate the loading requirements in a thin polymer film for application in color‐converted microLED displays. The loading requirements as a function of the QD material and design are explored and discussed, with the goal of maximizing blue photon absorption for conversion to red and green in a model layer 5 microns thick.
5‐4: High Efficiency Top‐Emission Organic Light Emitting Diodes Realized Using Newly Developed Low Absorption Pure Ag cathode Configuration
Authors: Kim Seong Keun , Yang Hye In , Lampande Raju , Kwon Jang Hyuk
Published: May 2019

We report, highly efficient red top emission organic light emitting diodes (TEOLEDs) having thin pristine Ag cathode unit with low absorption, uniform surface morphology and good electron injection property. TEOLEDs with Ag cathode unit exhibit almost 1.4 times improvement in current efficiency as well as low driving voltage compared with widely used Mg:Ag cathode and almost identical lifetime with Mg:Ag cathode.
11‐1: Invited Paper: Technologies for the Crystal LED Display System
Authors: Biwa Goshi , Doi Masato , Yasuda Atsushi , Kadota Hisashi
Published: May 2019

We have developed a novel active matrix driving technology integrating RGB micro LEDs and a micro IC in each pixel for the Crystal LED display system. With precise tiling technology, a large‐scale image with superior quality can be produced. We will present related key technologies in this paper.
14‐1: Invited Paper: Advances in Automotive Interior Lighting
Authors: Blankenbach Karlheinz , Hertlein Franziska , Hoffmann Stefan
Published: May 2019

Interior lighting in cars will evolve towards 1,000s of RGB LEDs. This requires new concepts for e.g. driving, daylight performance, uniformity and mixing of RGB with white. We report a new calibration method, a daylight threshold evaluation with subjects and uniformity for direct‐lit RGB light guides.
15‐2: Distinguished Paper: Integrated Gate Driver Circuit Technology with IGZO TFT for Sensing Operation
Authors: Kim In June , Noh Seok , Ban Myung Ho , Son Ki Min , Han In Hyo , Shin Hun Ki , Oh Kil Hwan , Kim Bum Sik , Kang In Byeong
Published: May 2019

In this paper, we propose a new integrated gate driver circuit for sensing operation of external compensated OLED display using IGZO TFT. Using these technologies, we successfully launched 55‐inch and 65‐inch ultra‐high‐definition OLED TVs.
15‐4: Multi‐Output Oxide TFT Shift Register without Bootstrapping Degradation
Authors: Kim Young In , Park Seongjun , Nam Hyoungsik
Published: May 2019

This paper suggests a method which can reduce the number of TFTs of oxide TFT shift registers for narrow bezel display devices. The proposed circuit is the extended version of a previous study that contains node‐sharing structure with LTPS TFTs. With further consideration about the depletion‐mode oxide TFT, this circuit also achieves a stable operation with node‐sharing structure. The simulation results verify that all the pull‐up nodes with separating TFTs are boosted enough without any voltage degradation of output pulses.