bluuebunny/crossref_metadata_2025 huggingface dataset:
Proteomic and structural differences in lumpfish skin among the dorsal, caudal and ventral regions
Authors: Patel Deepti M. , Bhide Katarina , Bhide Mangesh , Iversen Martin H. , Brinchmann Monica F.
Published: May 2019

Fish skin is a vital organ that serves a multitude of functions including mechanical protection, homeostasis, osmoregulation and protection against diseases. The expression of skin proteins changes under different physiological conditions. However, little is known about differences in protein expression among various body sites in naïve fish. The objectives of this work is to study potential differences in protein and gene expression among dorsal, caudal and ventral regions of lumpfish skin employing 2D gel based proteomics and real-time PCR and to assess structural differences between these regions by using Alcian blue and Periodic acid Schiff stained skin sections. The proteins collagen alfa-1, collagen alfa-2, heat shock cognate 71 kDa, histone H4, parvalbumin, natterin-2, 40S ribosomal protein S12, topoisomerase A and topoisomerase B were differentially expressed among the three regions. mRNA expression of apoa1, hspa8 and hist1h2b showed significant differences between regions. Skin photomicrographs showed differences in epidermal thickness and goblet cell counts. The ventral region showed relatively high protein expression, goblet cell count and epidermal thickness compared to dorsal and caudal regions. Overall, this study provides an important benchmark for comparative analysis of skin proteins and structure between different parts of the lumpfish body.
Genotyping by sequencing provides new insights into the diversity of Napier grass (Cenchrus purpureus) and reveals variation in genome-wide LD patterns between collections
Authors: Muktar Meki S. , Teshome Abel , Hanson Jean , Negawo Alemayehu T. , Habte Ermias , Domelevo Entfellner Jean-Baka , Lee Ki-Won , Jones Chris S.
Published: May 2019

Napier grass is an important tropical forage-grass and of growing potential as an energy crop. One-hundred-five Napier grass accessions, encompassing two independent collections, were subjected to genotyping by sequencing which generated a set of high-density genome-wide markers together with short sequence reads. The reads, averaging 54 nucleotides, were mapped to the pearl millet genome and the closest genes and annotation information were used to select candidate genes linked to key forage traits. 980 highly polymorphic SNP markers, distributed across the genome, were used to assess population structure and diversity with seven-subgroups identified. A few representative accessions were selected with the objective of distributing subsets of a manageable size for further evaluation. Genome-wide linkage disequilibrium (LD) analyses revealed a fast LD-decay, on average 2.54 kbp, in the combined population with a slower LD-decay in the ILRI collection compared with the EMBRAPA collection, the significance of which is discussed. This initiative generated high-density markers with a good distribution across the genome. The diversity analysis revealed the existence of a substantial amount of variation in the ILRI collection and identified some unique materials from the EMBRAPA collection, demonstrating the potential of the overall population for further genetic and marker-trait-association studies.
Enhancement of HIFU ablation by sonosensitizer-loading liquid fluorocarbon nanoparticles with pre-targeting in a mouse model
Authors: Zhang Yong , Yong Lijun , Luo Yong , Ding Xiaoya , Xu Die , Gao Xuan , Yan Sijing , Wang Qi , Luo Jie , Pu Darong , Zou Jianzhong
Published: May 2019

High intensity focused ultrasound (HIFU) is a noninvasive thermal ablation technique for the treatment of benign and malignant solid masses. To improve the efficacy of HIFU ablation, we developed poly (lactide-co-glycolide) (PLGA) nanoparticles encapsulating perfluoropentane (PFP) and hematoporphyrin monomethyl ether (HMME) as synergistic agents (HMME+PFP/PLGA). Two-step biotin-avidin pre-targeting technique was applied for the HIFU ablation. We further modified the nanoparticles with streptavidin (HMME+PFP/PLGA-SA). HMME+PFP/PLGA-SA were highly dispersed with spherical morphology (477.8 ± 81.8 nm in diameter). The encapsulation efficiency of HMME and PFP were 46.6 ± 3.3% and 40.1 ± 2.6%, respectively. The binding efficiency of nanoparticles to streptavidin was 95.5 ± 2.5%. The targeting ability of the HMME+PFP/PLGA-SA nanoparticles was tested by parallel plate flow chamber in vitro. In the pre-targeting group (HMME+PFP/PLGA-SA), a large number of nanoparticles bound to the peripheral and surface of the cell. In the HIFU ablation experiment in vivo, compared with the other groups, the largest gray-scale changes and coagulation necrosis areas were observed in the pre-targeting (HMME+PFP/PLGA-SA) group, with the lowest energy efficiency factor value. Moreover, the microvessel density and proliferation index declined, while the apoptotic index increased, in the tumor tissue surrounding the coagulation necrosis area in the pre-targeting group. Meanwhile, the survival time of the tumor-bearing nude mice in the pre-targeting group was significantly longer than that in the HIFU treatment group. These results suggest that HMME+PFP/PLGA-SA have high potential to act as synergistic agents in HIFU ablation.
In vitro evolution of enhanced RNA replicons for immunotherapy
Authors: Li Yingzhong , Teague Brian , Zhang Yuan , Su Zhijun , Porter Ely , Dobosh Brian , Wagner Tyler , Irvine Darrell J. , Weiss Ron
Published: May 2019

Self-replicating (replicon) RNA is a promising new platform for gene therapy, but applications are still limited by short persistence of expression in most cell types and low levels of transgene expression in vivo. To address these shortcomings, we developed an in vitro evolution strategy and identified six mutations in nonstructural proteins (nsPs) of Venezuelan equine encephalitis (VEE) replicon that promoted subgenome expression in cells. Two mutations in nsP2 and nsP3 enhanced transgene expression, while three mutations in nsP3 regulated this expression. Replicons containing the most effective mutation combinations showed enhanced duration and cargo gene expression in vivo. In comparison to wildtype replicon, mutants expressing IL-2 injected into murine B16F10 melanoma showed 5.5-fold increase in intratumoral IL-2 and 2.1-fold increase in infiltrating CD8 T cells, resulting in significantly slowed tumor growth. Thus, these mutant replicons may be useful for improving RNA therapeutics for vaccination, cancer immunotherapy, and gene therapy.
TickPath Layerplex: adaptation of a real-time PCR methodology for the simultaneous detection and molecular surveillance of tick-borne pathogens
Authors: Modarelli Joseph J. , Ferro Pamela J. , de León Adalberto A. Pérez , Esteve-Gasent Maria D.
Published: May 2019

Tick-borne diseases (TBD) are common across the United States and can result in critical and chronic diseases in a variety of veterinary patients. Moreover, borreliosis, anaplasmosis, rickettsiosis, ehrlichiosis, and babesiosis are zoonotic and have been cited as the most common TBDs. Molecular diagnostic methodologies utilized for screening domestic dogs for these causative agents include real-time PCR (qPCR) assays in both singleplex and multiplex formats. However, current limitations of qPCR instruments restrict the number of fluorogenic labels that can be differentiated by the instrument for a given reaction. This study describes the development of the TickPath Layerplex, a diagnostic assay based on qPCR methodology that was adapted for the simultaneous detection and characterization of 11 pathogens responsible for causing 5 common TBDs in domestic dogs. The analytical and diagnostic performance of the layerplex assay was evaluated and shown to be compatible with common instruments utilized in molecular diagnostic laboratories. Test results revealed no inhibition or reduction in sensitivity during validation of the layerplex assay, and the limit of detection was determined to be near 16 genome copy equivalents per microliter. Overall, the high sensitivity, specificity, and screening capability of the assay demonstrate its utility for broadly screening dogs for common TBDs.
Stability Mechanism of Two Soybean Protein-Phosphatidylcholine Nanoemulsion Preparation Methods from a Structural Perspective: A Raman Spectroscopy Analysis
Authors: Zhu Ying , Li Yang , Wu Changling , Teng Fei , Qi Baokun , Zhang Xiaonan , Zhou Linyi , Yu Guoping , Wang Huan , Zhang Shuang , Wang Zhongjiang , Jiang Lianzhou
Published: May 2019

Ultrasound treatment and high-pressure homogenization were used to prepare soybean protein (SP)-phosphatidylcholine (PC) nanoemulsions in this study. Nanoemulsions prepared by high-pressure homogenization were more stable. The structural changes of SP and PC under ultrasound treatment and high-pressure homogenization treatment were investigated by Raman spectroscopy. It could be concluded that ultrasound and high-pressure homogenization treatments increased both the content of α-helix and unordered structure but decreased that of β-structures of SP, while the interaction between SP and PC decreased α-helix content and also reduced unordered structure and β-sheet structure. Ultrasound treatment and high-pressure homogenization exposed more tryptophan and tyrosine residues to promote hydrophobic interaction between SP and PC, which was beneficial for stabilizing the nanoemulsion. The SP-PC interaction exerted a more significant effect on side chain structure than those observed under ultrasound treatment and high-pressure homogenization. The dominantg-g-tvibrational mode of the disulfide bond of soybean protein was not appreciably changed by the two preparations. High-pressure homogenization increased the disorder of lipid chains of PC, promoting SP-PC interaction and thereby increasing the stability of the nanoemulsion. The structural change provided a theoretical basis for preparation of two nanoemulsions.
Average firing rate rather than temporal pattern determines metabolic cost of activity in thalamocortical relay neurons
Authors: Yi Guosheng , Grill Warren M.
Published: May 2019

Thalamocortical (TC) relay cells exhibit different temporal patterns of activity, including tonic mode and burst mode, to transmit sensory information to the cortex. Our aim was to quantify the metabolic cost of different temporal patterns of neural activity across a range of average firing rates. We used a biophysically-realistic model of a TC relay neuron to simulate tonic and burst patterns of firing. We calculated the metabolic cost by converting the calculated ion fluxes into the demand for ATP to maintain homeostasis of intracellular ion concentrations. Most energy was expended on reversing Na+ entry during action potentials and pumping Ca2+ out of the cell. Average firing rate determined the ATP cost across firing patterns by controlling the overall number of spikes. Varying intraburst frequency or spike number in each burst influenced the metabolic cost by altering the interactions of inward and outward currents on multiple timescales, but temporal pattern contributed substantially less to the metabolic demand of neural activity as compared to average firing rate. These predictions should be considered when interpreting findings of functional imaging studies that rely of estimates of neuronal metabolic demand, e.g., functional magnetic resonance imaging.
Yield instability of winter oilseed rape modulated by early winter temperature
Authors: Brown James K. M. , Beeby Rebecca , Penfield Steven
Published: May 2019

Yield stability is a major problem in oilseed rape with inter-annual variation accounting for between 30–50% of the crop value among the major global rapeseed producers. The United Kingdom has persistent problems with yield instability, but the underlying causes remain unclear. We tested whether temperature plays a role in UK winter oilseed rape (WOSR) yield variation through analysis of aggregated country-wide on-farm yield data and in annual Recommended List variety trial data run by the UK Agriculture and Horticulture Development Board (AHDB). Our analyses of the two independent datasets both show that mean temperature in early winter is strongly and uniquely linked to variation in WOSR yield, with a rise in mean temperature of 1 °C associated with an average reduction of 113 (+−21) kg ha−1 in yield. We propose that understanding the mechanism by which early winter chilling affects WOSR yield will enable the breeding of varieties with a more stable and resilient yield in Western Europe as climatic variation increases.
Short-term mindfulness practice attenuates reward prediction errors signals in the brain
Authors: Kirk Ulrich , Pagnoni Giuseppe , Hétu Sébastien , Montague Read
Published: May 2019

Activity changes in dopaminergic neurons encode the ongoing discrepancy between expected and actual value of a stimulus, providing a teaching signal for a reward prediction process. Previous work comparing a cohort of long-term Zen meditators to controls demonstrated an attenuation of reward prediction signals to appetitive reward in the striatum. Using a cross-commodity design encompassing primary- and secondary-reward conditioning experiments, the present study asks the question of whether reward prediction signals are causally altered by mindfulness training in naïve subjects. Volunteers were randomly assigned to 8 weeks of mindfulness training (MT), active control training (CT), or a one-time mindfulness induction group (MI). We observed a decreased response to positive prediction errors in the putamen in the MT group compared to CT using both a primary and a secondary-reward experiment. Furthermore, the posterior insula showed greater activation to primary rewards, independently of their predictability, in the MT group, relative to CT and MI group. These results support the notion that increased attention to the present moment and its interoceptive features - a core component of mindfulness practice - may reduce predictability effects in reward processing, without dampening (in fact, enhancing) the response to the actual delivery of the stimulus.
Immunohistochemical and ultrastructural analysis of the maturing larval zebrafish enteric nervous system reveals the formation of a neuropil pattern
Authors: Baker Phillip A. , Meyer Matthew D. , Tsang Ashley , Uribe Rosa A.
Published: May 2019

The gastrointestinal tract is constructed with an intrinsic series of interconnected ganglia that span its entire length, called the enteric nervous system (ENS). The ENS exerts critical local reflex control over many essential gut functions; including peristalsis, water balance, hormone secretions and intestinal barrier homeostasis. ENS ganglia exist as a collection of neurons and glia that are arranged in a series of plexuses throughout the gut: the myenteric plexus and submucosal plexus. While it is known that enteric ganglia are derived from a stem cell population called the neural crest, mechanisms that dictate final neuropil plexus organization remain obscure. Recently, the vertebrate animal, zebrafish, has emerged as a useful model to understand ENS development, however knowledge of its developing myenteric plexus architecture was unknown. Here, we examine myenteric plexus of the maturing zebrafish larval fish histologically over time and find that it consists of a series of tight axon layers and long glial cell processes that wrap the circumference of the gut tube to completely encapsulate it, along all levels of the gut. By late larval stages, complexity of the myenteric plexus increases such that a layer of axons is juxtaposed to concentric layers of glial cells. Ultrastructurally, glial cells contain glial filaments and make intimate contacts with one another in long, thread-like projections. Conserved indicators of vesicular axon profiles are readily abundant throughout the larval plexus neuropil. Together, these data extend our understanding of myenteric plexus architecture in maturing zebrafish, thereby enabling functional studies of its formation in the future.
Two-dimensional transition metal dichalcogenides assisted biofunctionalized optical fiber SPR biosensor for efficient and rapid detection of bovine serum albumin
Authors: Kaushik Siddharth , Tiwari Umesh K. , Deep Akash , Sinha Ravindra K.
Published: May 2019

The present study reports an alternative method of functionalizing the optical fiber Surface Plasmon Resonance (SPR) sensing probe with antibodies for label-free detection of bovine serum albumin (BSA) protein. In this novel approach, the gold coated fiber was first modified with Molybdenum disulfide (MoS2) nanosheets followed by its bio-functionalization with Anti-BSA antibodies. The developed technique not only allowed the amplification of the SPR signals by synergic effects of MoS2 and gold metallic thin film but also enabled a direct and chemical-free attachment of representative antibodies through hydrophobic interactions. The sensitivity of the MoS2 modified sensing probe with detection limit of 0.29 µg/mL was improved as compared to the fiber optic SPR biosensor without MoS2 overlayer (Detection limit  for BSA was 0.45 μg/mL). The developed biosensor has good specificity, and environmental stability. Accordingly, the proposed design of the MoS2 based SPR optical biosensor can offer the development of a simplified optical device for the monitoring of various biomedical and environmental parameters.
Reduction of Fermi level pinning at Cu–BP interfaces by atomic passivation
Authors: Ou Pengfei , Zhou Xiao , Chen Cheng , Meng Fanchao , Chen Yiqing , Song Jun
Published: May 2019

Black phosphorus (BP) is a semiconducting material with a direct finite band gap in its monolayer, attracting intense attention for its applications in field-effect transistors.
Spectro-electrochemical assessments of DNA/BSA interactions, cytotoxicity, radical scavenging and pharmacological implications of biosensitive and biologically active morpholine-based metal(ii) complexes: a combined experimental and computational investigation
Authors: Sakthikumar Karunganathan , Solomon Rajadurai Vijay , Raja Jeyaraj Dhaveethu
Published: May 2019

Morpholine-based metal(ii) complexes exhibited more significant biological activities than the free ligand. Among investigations towards DNA/BSA, the copper complex revealed excellent intercalating efficacy, which suggests it may have potential as a novel anticancer agent.
Highly sensitive and selective light-up fluorescent probe for monitoring gallium and chromium ions in vitro and in vivo
Authors: He Xiaojun , Wu Chenglin , Qian Yuna , Li Yahui , Zhang Lilei , Ding Feng , Chen Hong , Shen Jianliang
Published: May 2019

Here reported an NBDT sensor could be effectively responsive to gallium and chromium for bio-imaging in vivo.
Capillary zone electrophoresis-tandem mass spectrometry with ultraviolet photodissociation (213 nm) for large-scale top–down proteomics
Authors: McCool Elijah N. , Chen Daoyang , Li Wenxue , Liu Yansheng , Sun Liangliang
Published: May 2019

Capillary electrophoresis-tandem mass spectrometry with ultraviolet photodissociation for top–down proteomics for the first time.
Microfluidic blood vasculature replicas using backside lithography
Authors: Fenech Marianne , Girod Vincent , Claveria Viviana , Meance Sebastien , Abkarian Manouk , Charlot Benoit
Published: May 2019

A one-mask microfabrication process to build artificial vascular networks for the analysis of blood flows and hemophysics.
Manganese(iii)-chelated porphyrin microbubbles for enhanced ultrasound/MR bimodal tumor imaging through ultrasound-mediated micro-to-nano conversion
Authors: Chen Min , Liang Xiaolong , Dai Zhifei
Published: May 2019

Manganese(iii)-chelated porphyrin microbubbles were fabricated for use as a MR/ultrasound bimodal contrast agent for cancer diagnosis by ultrasound-responsive micro-to-nano conversion.
A novel method for PEGylation of chitosan nanoparticles through photopolymerization
Authors: Bozuyuk Ugur , Gokulu Ipek S. , Dogan Nihal Olcay , Kizilel Seda
Published: May 2019

An ultrafast and convenient method for PEGylation of chitosan nanoparticles has been established through a photopolymerization reaction between the acrylate groups of PEG and methacrylated-chitosan nanoparticles.
Gallium–tin alloys as a low melting point liquid metal for repetition-pulse-laser-induced high energy density state toward compact pulse EUV sources
Authors: Andrew Musgrave Christopher Stephen , Lu Nan , Sato Rie , Nagai Keiji
Published: May 2019

We show the near-room-temperature-handling of a liquid gallium–tin alloy (Ga:Sn) as a laser target source for 13.5 nm pulse repetition.
Aqueous-phase catalytic hydroxylation of phenol with H2O2 by using a copper incorporated apatite nanocatalyst
Authors: Amedlous Abdallah , Amadine Othmane , Essamlali Younes , Daanoun Karim , Aadil Mina , Zahouily Mohamed
Published: May 2019

Copper incorporated apatite (Cu-apatite) nanomaterial was prepared by a co-precipitation method.
Evaluation of non-targeting, C- or N-pH (low) insertion peptide modified superparamagnetic iron oxide nanoclusters for selective MRI of liver tumors and their potential toxicity in cirrhosis
Authors: Mahmood Abdulrahman Ahmed , Zhang Jianqi , Liao Rufang , Pan Xiwei , Xu Dan , Xu Haibo , Zhou Qibing
Published: May 2019

The acid-responsive pHLIP modified SPION as an MRI contrast agent for liver cancer diagnosis requires the validation of both the tumor-specific enhancement and a safe profile in cirrhosis.
Radical cyanomethylation via vinyl azide cascade-fragmentation
Authors: Donald James R. , Berrell Sophie L.
Published: May 2019

The cyanomethylation of radicals with a vinyl azide reagent is described, via a cascade-fragmentation mechanism.
A generic surfactant-free approach to overcome wetting limitations and its application to improve inkjet-printed P3HT:non-fullerene acceptor PV
Authors: Maisch Philipp , Eisenhofer Lena M. , Tam Kai Cheong , Distler Andreas , Voigt Monika M. , Brabec Christoph J. , Egelhaaf Hans-Joachim
Published: May 2019

A novel strategy to overcome wetting problems is applied to manufacture inverted structure P3HT:O-IDTBR solar cells with 5% efficiency.
An acetylene black modified gel polymer electrolyte for high-performance lithium–sulfur batteries
Authors: Yang Dezhi , He Liang , Liu Yu , Yan Wenqi , Liang Shishuo , Zhu Yusong , Fu Lijun , Chen Yuhui , Wu Yuping
Published: May 2019

An acetylene black modified gel polymer electrolyte was prepared to simultaneously solve the problems of shuttle effect and lithium dendrite growth for high-performance Li–S batteries.
Elucidation of dipolar dynamics and the nature of structural phases in the [(CH3)2NH2][Zn(HCOO)3] hybrid perovskite framework
Authors: Šimėnas Mantas , Balčiūnas Sergejus , Ciupa Aneta , Vilčiauskas Linas , Jablonskas Džiugas , Kinka Martynas , Sieradzki Adam , Samulionis Vytautas , Ma̧czka Mirosław , Banys Jūras
Published: May 2019

We demonstrate improper ferroelectric and non-relaxor behaviour of the [(CH3)2NH2][Zn(HCOO)3] hybrid perovskite framework.
Low-temperature processing of optimally polymer-wrapped α-CsPbI3 for self-powered flexible photo-detector application
Authors: Bansode Umesh , Rahman Atikur , Ogale Satishchandra
Published: May 2019

Here, we demonstrate the low temperature processing of a polymer wrapped α-CsPbI3 based self-powered highly efficient flexible photo-detector.
Screening substrate-binding positions by rolling circle amplification suggesting a binding model of Nt.BstNBI
Authors: Wei Hua , Tang Suming , Duan Xuying , Guan Yifu , Zhao Guojie
Published: May 2019

Nicking endonucleases (NEs) become increasingly attractive for their promising applications in isothermal amplification. Unfortunately, in comparison with their applications, their catalytic mechanism studies have relatively lagged behind due to a paucity of crystal structure information. Nt.BstNBI is one of those widely used NEs. However, many aspects of its catalytic mechanism still remained to be explored. Herein, we employed only rolling circle amplification (RCA) assay as a major analytic tool and succeeded in identifying the potential binding positions and regions of the DNA substrate based on locked nucleic acid modification, DNA duplex length of substrate, and substrate mismatch designs. Based on these data, we, for the first time, revealed that Nt.BstNBI was likely to recognize six adjacent positions of the recognition sequence (G1rt, A2rt, G3rt, A2rb, C3rb, and T4rb) in the major groove and hold three positions of the cleavage sequence (N3ct, N4ct, and N7cb) in the minor groove of DNA duplex for nicking. Moreover, this work also demonstrated the unexpected efficiency of RCA to study the macromolecular interaction for certain kind of nucleases in an easy and high-throughput way.
The S-SH Confusion Test and the Effects of Frequency Lowering
Authors: Alexander Joshua M.
Published: May 2019

Purpose

Frequency lowering in hearing aids can cause listeners to perceive [s] as [ʃ]. The S-SH Confusion Test, which consists of 66 minimal word pairs spoken by 6 female talkers, was designed to help clinicians and researchers document these negative side effects. This study's purpose was to use this new test to evaluate the hypothesis that these confusions will increase to the extent that low frequencies are altered.

Method

Twenty-one listeners with normal hearing were each tested on 7 conditions. Three were control conditions that were low-pass filtered at 3.3, 5.0, and 9.1 kHz. Four conditions were processed with nonlinear frequency compression (NFC): 2 had a 3.3-kHz maximum audible output frequency (MAOF), with a start frequency (SF) of 1.6 or 2.2 kHz; 2 had a 5.0-kHz MAOF, with an SF of 1.6 or 4.0 kHz. Listeners' responses were analyzed using concepts from signal detection theory. Response times were also collected as a measure of cognitive processing.

Results

Overall, [s] for [ʃ] confusions were minimal. As predicted, [ʃ] for [s] confusions increased for NFC conditions with a lower versus higher MAOF and with a lower versus higher SF. Response times for trials with correct [s] responses were shortest for the 9.1-kHz control and increased for the 5.0- and 3.3-kHz controls. NFC response times were also significantly longer as MAOF and SF decreased. The NFC condition with the highest MAOF and SF had statistically shorter response times than its control condition, indicating that, under some circumstances, NFC may ease cognitive processing.

Conclusions

Large differences in the S-SH Confusion Test across frequency-lowering conditions show that it can be used to document a major negative side effect associated with frequency lowering. Smaller but significant differences in response times for correct [s] trials indicate that NFC can help or hinder cognitive processing, depending on its settings.
Forecasting of SYMH and ASYH indices for geomagnetic storms of solar cycle 24 including St. Patrick’s day, 2015 storm using NARX neural network
Authors: Bhaskar Ankush , Vichare Geeta
Published: May 2019

Artificial Neural Network (ANN) has proven to be very successful in forecasting a variety of irregular magnetospheric/ionospheric processes like geomagnetic storms and substorms. SYMH and ASYH indices represent longitudinal symmetric and the asymmetric component of the ring current. Here, an attempt is made to develop a prediction model for these indices using ANN. The ring current state depends on its past conditions therefore, it is necessary to consider its history for prediction. To account for this effect Nonlinear Autoregressive Network with exogenous inputs (NARX) is implemented. This network considers input history of 30 min and output feedback of 120 min. Solar wind parameters mainly velocity, density, and interplanetary magnetic field are used as inputs. SYMH and ASYH indices during geomagnetic storms of 1998–2013, having minimum SYMH < −85 nT are used as the target for training two independent networks. We present the prediction of SYMH and ASYH indices during nine geomagnetic storms of solar cycle 24 including the recent largest storm occurred on St. Patrick’s day, 2015. The present prediction model reproduces the entire time profile of SYMH and ASYH indices along with small variations of ∼10–30 min to the good extent within noise level, indicating a significant contribution of interplanetary sources and past state of the magnetosphere. Therefore, the developed networks can predict SYMH and ASYH indices about an hour before, provided, real-time upstream solar wind data are available. However, during the main phase of major storms, residuals (observed-modeled) are found to be large, suggesting the influence of internal factors such as magnetospheric processes.
Leitliniengerechte Blutkulturdiagnostik
Authors: Schmitz Roland , Brunkhorst Frank M.
Published: May 2019

Der Nachweis von Mikroorganismen durch die Blutkultur ist für die Diagnostik und
adäquate antimikrobielle Therapie der Sepsis unabdingbare Voraussetzung. Erst
die Kenntnis des Erregers und seiner Antibiotika-Empfindlichkeit erlaubt nach
Einleitung einer empirischen Initialtherapie gezielte antiinfektive Maßnahmen
und stellt die Weichen für das weitere diagnostische Vorgehen. Dies verbessert
die Prognose, verkürzt die Liegedauer und hilft, eine antiinfektive Übertherapie
zu vermeiden.
Das Michelangelo-Phänomen – Relationale Führungskompetenz für das Gesundheitswesen der (digitalen) Zukunft
Authors: Junne Florian , Zipfel Stephan
Published: May 2019

„In the past jobs were about muscles, now they are about the brain, in the future they will be about the heart.“

Dame Minouche Shafik, Director of the London School of Economics (LSE) (2018)
Urethrasarkom 14 Jahre nach Prostata-Brachytherapie
Authors: Comploj Evi , Hanspeter Esther , Trenti Emanuela , Palermo Salvatore , Pycha Armin
Published: May 2019

Wir berichten über einen 83-jährigen Patienten mit der seltenen Diagnose eines Sarkoms der Harnröhre.
Ambulant-sensitive Krankenhausfälle in Deutschland – Abgrenzung, Prävalenz und Kosten
Authors: Kurte Melina Sophie , Blankart Katharina
Published: May 2019

Zielsetzung Ambulant-sensitive Krankenhausfälle (ASK) bezeichnen Hospitalisierungen, welche durch zugängliche und qualitativ hochwertige ambulante Maßnahmen vermeidbar wären. Ziel der Arbeit ist es, katalogbasierte Abgrenzungsansätze von ASK für Deutschland zu ermitteln sowie die Prävalenz und Kosten von ASK zu identifizieren.

Methodik Eine systematische Literaturrecherche wurde im März 2018 in den Datenbanken MEDLINE und Web of Science durchgeführt. Publikationen wurden identifiziert, die einen Gesamtkatalog ambulant-sensitiver Diagnosen betrachten und Prävalenz oder Kosten von ASK ermitteln. Ergänzend wurde eine Vorwärts- und Rückwärtssuche identifizierter Studien durchgeführt.

Ergebnisse Basierend auf 10 Publikationen wurden drei Abgrenzungsansätze identifiziert, bei deren Vergleich hohe Heterogenität in der ASK-Abgrenzung bezüglich eingeschlossener Diagnosen erkennbar wird. Das differenzierte Vorgehen bei der ASK-Kodierung spiegelt sich in hohen Spannweiten in Bezug auf die Prävalenz und den Kosten von ASK wider.

Schlussfolgerung Die Heterogenität der Abgrenzungsansätze macht eine Überprüfung der Übertragbarkeit in den jeweiligen Versorgungskontext in Bezug auf die Auswahl ASK-relevanter Diagnosen, Vermeidbarkeit und Risikoadjustierung notwendig.
Radical Biocatalysis: Using Non-Natural Single Electron Transfer Mechanisms to Access New Enzymatic Functions
Authors: Hyster Todd K.
Published: May 2019

Exploiting non-natural reaction mechanisms within native enzymes is an emerging strategy for expanding the synthetic capabilities of biocatalysts. When coupled with modern protein engineering techniques, this approach holds great promise for biocatalysis to address long-standing selectivity and reactivity challenges in chemical synthesis. Controlling the stereochemical outcome of reactions involving radical intermediates, for instance, could benefit from biocatalytic solutions because these reactions are often difficult to control by using existing small molecule catalysts. General strategies for catalyzing non-natural radical reactions within enzyme active sites are, however, undeveloped. In this account, we highlight three distinct strategies developed in our group that exploit non-natural single electron transfer mechanisms to unveil previously unknown radical biocatalytic functions. These strategies allow common oxidoreductases to be used to address the enduring synthetic challenge of asymmetric hydrogen atom transfer.

1 Introduction

2 Photoinduced Electron Transfer from NADPH

3 Ground State Electron Transfer from Flavin Hydroquinone

4 Enzymatic Redox Activation in NADPH-Dependent Oxidoreductases

5 Conclusion
Bond cooperativity and ring formation in hydrogen fluoride thermodynamic properties: A two-density formalism framework
Authors: Haghmoradi Amin , Chapman Walter G.
Published: May 2019

In this work, we develop a thermodynamic perturbation theory using a two-density formalism framework to model the bond cooperativity effect for associating hard sphere and Lennard-Jones fluids. The theory predictions are compared with Monte Carlo simulation results and they are in excellent agreement. We incorporate bond angle dependent ring formation into the theory to calculate hydrogen fluoride thermodynamic properties. The liquid density and vapor pressure obtained by the theory are in good agreement with the experimental data. Comparing the thermo-physical properties of hydrogen fluoride calculated by this theory with previous studies reveals the importance of bond angle dependent ring formation and cooperative hydrogen bonding to capture its anomalous behavior especially in the vapor phase. The cooperativity ratio obtained in our model is close to the values reported by previous quantum studies.
Analysis of square-law detector for high-sensitive detection of terahertz waves
Authors: Kojima Hiromu , Kido Daishi , Kanaya Haruichi , Ishii Hiroyuki , Maeda Tatsuro , Ogura Mutsuo , Asano Tanemasa
Published: May 2019

Theoretical analysis of a square-law detector composed of a field effect transistor has been conducted to develop a circuit model for the terahertz (THz) wave detection. Mathematical formulae that indicate the detection characteristics of the detector are derived by applying the unified charge control model of FET channel carriers and by considering drift and diffusion current. The circuit model with an external circuit similar to the actual system is considered. The analysis of the circuit of the detectors reveals the effects of the subthreshold slope and the gate length of FETs on the sensitivity. In addition, square-law detectors have been fabricated using a high-electron-mobility transistor (HEMT) with an InGaAs/InAs/InGaAs double heterostructured channel on a glass substrate. The device has been fabricated using the layer transfer technology and showed electron mobility as high as 3200 cm2/Vs. Detection performance is characterized by directly inputting 1.0 THz waves through a THz probe to detectors. Detection results agree well with the characteristics predicted from the circuit model. Furthermore, our analysis expresses the contribution of drift and diffusion to the total detection characteristics. Experiments carried out using HEMT detectors also prove that the sensitivity, such as maximum voltage responsivity and minimum noise equivalent power of the detectors, is related to the subthreshold slope and the gate length. In other words, a small subthreshold slope and a short gate length of an FET lead to a high-sensitive detection.
Constructing surface models of silicate glasses using molecular dynamics to understand the effect of pH on the hydration properties
Authors: Stewart Ross J. , Goyal Sushmit , Lee Sung Hoon , Rammohan Aravind , Park Hyun Hang , Min Kyoungmin , Cho Eunseog , Heinz Hendrik
Published: May 2019

In this work, we use realistic silicate glass surface models, with molecular dynamics simulations, and present an algorithm for proper atomic partial charge assignment, consistent with measurable internal dipoles. The immersion energy is calculated for different silicate glass compositions in solutions of varying pH. We use molecular dynamics to elucidate the differences in the structure of water between mono- and divalent cations. The immersion energy of the glass surface is found to increase with an increase in ionic surface density and pH. This can be attributed to the stronger interaction between water and cations, as opposed to the interactions between water and silanol groups. The developed models and methods provide new insights into the structure of glass-solution interfaces and the effect of cation surface density in common nanoscale environments.
Ultra-low electric field-driven dielectric tunability in hybrid ferroelectric (MV)[BiI3Cl2]
Authors: Lei Yunlin , Wang Shouyu , Ma Shuang , Shi Yu , Fu Dongxu , Liu Weifang
Published: May 2019

Seeking for materials with high dielectric tunability and low coercive field is of great importance for the development and application of microwave tunable devices. In this work, inorganic and organic hybrid crystals (MV)[BiI3Cl2] were synthesized by using a solvothermal reaction method. Higher dielectric tunability (>70%) can be achieved for (MV)[BiI3Cl2] with an ultralow driving electric field (∼40 V/cm). The coercive electric field of (MV)[BiI3Cl2] is around three orders of magnitude lower than that of conventional organic oxides. Moreover, (MV)[BiI3Cl2] exhibits excellent electrical reliability related to the fatigue and the polarization retention property. The ultralow coercive electric field is ascribed to the quasi-one-dimensional structure of the Bi-I-Bi-I inorganic chain in inorganic and organic hybrid (MV)[BiI3Cl2].
Terahertz pulse emission from GaInAsBi
Authors: Pačebutas V. , Stanionytė S. , Norkus R. , Bičiūnas A. , Urbanowicz A. , Krotkus A.
Published: May 2019

Quaternary GaInAsBi alloy epitaxial layers were grown on InP substrates with 6% Bi. It was found that the thick layers remain fully strained. The measured carrier lifetimes were of the order of a few picoseconds. The terahertz (THz) emission was investigated using a GaInAsBi layer as an unbiased surface emitter and as a substrate for photoconductive antenna. It was observed that fabricated THz emitters were sensitive to the optical pulses with wavelengths longer than 2 μm. The demonstrated spectral characteristics of THz pulses obtained when using an Er-doped fiber laser for photoexcitation were comparable with those observed in other emitters used for THz-time-domain spectroscopy systems.
Embedding non-collinear two-component electronic structure in a collinear quantum environment
Authors: Hoyer Chad E. , Williams-Young David B. , Huang Chen , Li Xiaosong
Published: May 2019

Spin-containing materials are important for spintronic applications. In this work, we present a computational framework to embed nonrelativistic, two-component calculations in a one-component environment. In this framework, both embedding scalar potential and magnetic field can be included to describe the interaction between quantum subsystems. In this current development, a generalized Kohn-Sham density functional theory electronic structure is embedded in unrestricted Kohn-Sham density functional theory. Two test systems are studied: a Li3 on a closed-shell He lattice and a Li3 on a He lattice containing a Li atom defect. The noncollinearity of Li3 is unaffected upon embedding in a closed-shell environment through the scalar potential embedding. However, the open-shell nature of the Li atom defect introduces an effective magnetic field that couples to the magnetic components of the generalized Kohn-Sham Hamiltonian. These results show that noncollinear quantum embedding in an open-shell collinear environment may modify the spin structure of the embedded system. The formalism developed herein may serve as a useful tool in the modeling of inhomogeneous magnetic fields in two-component calculations.
Boundary-induced effect on the spoke-like activity in E × B plasma
Authors: Rodríguez E. , Skoutnev V. , Raitses Y. , Powis A. , Kaganovich I. , Smolyakov A.
Published: May 2019

The spoke instability in an E × B Penning discharge is shown to be strongly affected by the boundary that is perpendicular to B field lines. The instability is the strongest when bounded by dielectric walls. With a conducting wall, biased to collect electron current from the plasma, the spoke becomes faster, less coherent, and localized closer to the axis. The corresponding anomalous cross-field transport is assessed via simultaneous time-resolved measurements of plasma potential and density. This shows a dominant large-scale E × B anomalous character of the electron cross-field current for dielectric walls reaching 40%–100% of the discharge current, with an effective Hall parameter βeff ∼ 10. The anomalous current is greatly reduced with the conducting boundary (characterized by βeff ∼ 102). These experimental measurements are shown to be qualitatively consistent with the decrease in the E field that triggers the collisionless Simon-Hoh instability.
Grand-canonical polymers under confinement: Dense solutions
Authors: Lee Nam-Kyung , Johner Albert
Published: May 2019

We theoretically study dense polymer solutions under open (capillary and slit) and closed (box) confinement. The theory is formulated for grand-canonical polymers and corrections to the self-consistent mean-field results are discussed. In contrast to the mean-field prediction, we found that the partition function of a labeled chain is affected by confinement even under neutral von Neumann boundary conditions and the chain length distribution is biased to short chains. As the container size increases, the contribution of the transverse excited states to the free energy of a labeled chain is found to approach its bulk value nonmonotonically (through an extremum) for the box and the capillary confinement but not for the slit. So does the confinement free energy of a labeled chain. The confinement energy of the solution is well behaved for open confinement but formally diverges for a closed box in the limit that the average chain length goes to infinity. Counted per chain, the confinement energy of the dense solution is qualitatively weaker than for a single ideal chain under similarly strong confinement (by one power in transverse container size). The container boundary contributes a surface tension to the free energy, which makes the effective monomer-wall affinity more repulsive. This correction increases with the average chain length. If present, edge or vertex singularities also contribute to the grand potential of the solution.
Versatile Synthesis of Functionalized Tetrahydroisoquinolines by Ring Transformation of 2H-Pyran-2-ones
Authors: Kole Priyanka B. , Singh Fateh V.
Published: May 2019

Functionalized tetrahydroisoquinolines are convenient precursors for the construction of numerous heterocyclic compounds of therapeutic importance. In this paper we have illustrated an efficient synthesis of highly substituted tetrahydroisoquinolines from 2H-pyran-2-ones via nucleophile-mediated ring transformation with tert-butyl-4-oxopiperidine-1-carboxylate followed by acid-mediated cleavage of the tert-butyloxycarbonyl group. The products were achieved smoothly in high yields with flexibility of various substituents.
Fundamental bounds on learning performance in neural circuits
Authors: Raman Dhruva Venkita , Rotondo Adriana Perez , O’Leary Timothy
Published: May 2019

How does the size of a neural circuit influence its learning performance? Larger brains tend to be found in species with higher cognitive function and learning ability. Intuitively, we expect the learning capacity of a neural circuit to grow with the number of neurons and synapses. We show how adding apparently redundant neurons and connections to a network can make a task more learnable. Consequently, large neural circuits can either devote connectivity to generating complex behaviors or exploit this connectivity to achieve faster and more precise learning of simpler behaviors. However, we show that in a biologically relevant setting where synapses introduce an unavoidable amount of noise, there is an optimal size of network for a given task. Above the optimal network size, the addition of neurons and synaptic connections starts to impede learning performance. This suggests that the size of brain circuits may be constrained by the need to learn efficiently with unreliable synapses and provides a hypothesis for why some neurological learning deficits are associated with hyperconnectivity. Our analysis is independent of specific learning rules and uncovers fundamental relationships between learning rate, task performance, network size, and intrinsic noise in neural circuits.
Structure-guided function discovery of an NRPS-like glycine betaine reductase for choline biosynthesis in fungi
Authors: Hai Yang , Huang Arthur M. , Tang Yi
Published: May 2019

Significance

Oxidation of choline to glycine betaine is a major pathway for choline degradation and glycine betaine biosynthesis. Although this oxidative process is found in all domains of life, enzymes involved in the reduction of glycine betaine to choline have not been found. Here, we found this missing link in choline metabolism through a structure-guided function discovery of a NRPS-like glycine betaine reductase, which catalyzes reduction of glycine betaine to choline via the intermediate glycine betaine aldehyde. Bioinformatic analysis suggests this enzyme is highly conserved and widespread in the fungal kingdom, and our discovery of this reductive choline biosynthesis pathway provides insight into fungal choline metabolism.
Peroxisomal β-oxidation regulates histone acetylation and DNA methylation in
Arabidopsis
Authors: Wang Lishuan , Wang Chunlei , Liu Xinye , Cheng Jinkui , Li Shaofang , Zhu Jian-Kang , Gong Zhizhong
Published: May 2019

Epigenetic markers, such as histone acetylation and DNA methylation, determine chromatin organization. In eukaryotic cells, metabolites from organelles or the cytosol affect epigenetic modifications. However, the relationships between metabolites and epigenetic modifications are not well understood in plants. We found that peroxisomal acyl-CoA oxidase 4 (ACX4), an enzyme in the fatty acid β-oxidation pathway, is required for suppressing the silencing of some endogenous loci, as well as
Pro35S
:
NPTII
in the
ProRD29A:LUC
/C24 transgenic line. The
acx4
mutation reduces nuclear histone acetylation and increases DNA methylation at the
NOS
terminator of
Pro35S
:
NPTII
and at some endogenous genomic loci, which are also targeted by the demethylation enzyme REPRESSOR OF SILENCING 1 (ROS1). Furthermore, mutations in multifunctional protein 2 (MFP2) and 3-ketoacyl-CoA thiolase-2 (KAT2/PED1/PKT3), two enzymes in the last two steps of the β-oxidation pathway, lead to similar patterns of DNA hypermethylation as in
acx4
. Thus, metabolites from fatty acid β-oxidation in peroxisomes are closely linked to nuclear epigenetic modifications, which may affect diverse cellular processes in plants.