bluuebunny/crossref_metadata_2025 huggingface dataset:
Glassy carbon microelectrodes minimize induced voltages, mechanical vibrations, and artifacts in magnetic resonance imaging
Authors: Nimbalkar Surabhi , Fuhrer Erwin , Silva Pedro , Nguyen Tri , Sereno Martin , Kassegne Sam , Korvink Jan
Published: November 2019

The recent introduction of glassy carbon (GC) microstructures supported on flexible polymeric substrates has motivated the adoption of GC in a variety of implantable and wearable devices. Neural probes such as electrocorticography and penetrating shanks with GC microelectrode arrays used for neural signal recording and electrical stimulation are among the first beneficiaries of this technology. With the expected proliferation of these neural probes and potential clinical adoption, the magnetic resonance imaging (MRI) compatibility of GC microstructures needs to be established to help validate this potential in clinical settings. Here, we present GC microelectrodes and microstructures—fabricated through the carbon micro-electro-mechanical systems process and supported on flexible polymeric substrates—and carry out experimental measurements of induced vibrations, eddy currents, and artifacts. Through induced vibration, induced voltage, and MRI experiments and finite element modeling, we compared the performances of these GC microelectrodes against those of conventional thin-film platinum (Pt) microelectrodes and established that GC microelectrodes demonstrate superior magnetic resonance compatibility over standard metal thin-film microelectrodes. Specifically, we demonstrated that GC microelectrodes experienced no considerable vibration deflection amplitudes and minimal induced currents, while Pt microelectrodes had significantly larger currents. We also showed that because of their low magnetic susceptibility and lower conductivity, the GC microelectrodes caused almost no susceptibility shift artifacts and no eddy-current-induced artifacts compared to Pt microelectrodes. Taken together, the experimental, theoretical, and finite element modeling establish that GC microelectrodes exhibit significant MRI compatibility, hence demonstrating clear clinical advantages over current conventional thin-film materials, further opening avenues for wider adoption of GC microelectrodes in chronic clinical applications.
Distinct acute effects of LSD, MDMA, and d-amphetamine in healthy subjects
Authors: Holze Friederike , Vizeli Patrick , Müller Felix , Ley Laura , Duerig Raoul , Varghese Nimmy , Eckert Anne , Borgwardt Stefan , Liechti Matthias E.
Published: November 2019

Lysergic acid diethylamide (LSD) is a classic psychedelic, 3,4-methylenedioxymethamphetamine (MDMA) is an empathogen, and d-amphetamine is a classic stimulant. All three substances are used recreationally. LSD and MDMA are being investigated as medications to assist psychotherapy, and d-amphetamine is used for the treatment of attention-deficit/hyperactivity disorder. All three substances induce distinct acute subjective effects. However, differences in acute responses to these prototypical psychoactive substances have not been characterized in a controlled study. We investigated the acute autonomic, subjective, and endocrine effects of single doses of LSD (0.1 mg), MDMA (125 mg), d-amphetamine (40 mg), and placebo in a randomized, double-blind, cross-over study in 28 healthy subjects. All of the substances produced comparable increases in hemodynamic effects, body temperature, and pupil size, indicating equivalent autonomic responses at the doses used. LSD and MDMA increased heart rate more than d-amphetamine, and d-amphetamine increased blood pressure more than LSD and MDMA. LSD induced significantly higher ratings on the 5 Dimensions of Altered States of Consciousness scale and Mystical Experience Questionnaire than MDMA and d-amphetamine. LSD also produced greater subjective drug effects, ego dissolution, introversion, emotional excitation, anxiety, and inactivity than MDMA and d-amphetamine. LSD also induced greater impairments in subjective ratings of concentration, sense of time, and speed of thinking compared with MDMA and d-amphetamine. MDMA produced greater ratings of good drug effects, liking, high, and ego dissolution compared with d-amphetamine. d-Amphetamine increased ratings of activity and concentration compared with LSD. MDMA but not LSD or d-amphetamine increased plasma concentrations of oxytocin. None of the substances altered plasma concentrations of brain-derived neurotrophic factor. These results indicate clearly distinct acute effects of LSD, MDMA, and d-amphetamine and may assist the dose-finding in substance-assisted psychotherapy research.
Upregulation of histamine receptor H1 promotes tumor progression and contributes to poor prognosis in hepatocellular carcinoma
Authors: Zhao Jing , Hou Yiran , Yin Chun , Hu Jing , Gao Tian , Huang Xiaojun , Zhang Xiaohong , Xing Jinliang , An Jiaze , Wan Shaogui , Li Jibin
Published: November 2019

H1 histamine receptor (H1HR) belongs to the family of rhodopsin-like G-protein-coupled receptors. Recent studies have shown that H1HR expression is increased in several types of cancer. However, its functional roles in tumor progression remain largely unknown, especially in hepatocellular carcinoma (HCC). We found that H1HR is frequently unregulated in HCC, which is significantly associated with both recurrence-free survival and overall survival in HCC patients. Functional experiments revealed that H1HR promoted both the growth and metastasis of HCC cells by inducing cell cycle progression, formation of lamellipodia, production of matrix metalloproteinase 2, and suppression of cell apoptosis. Activation of cyclic adenosine monophosphate-dependent protein kinase A was found to be involved in H1HR-mediated HCC cell growth and metastasis. In addition, we found that overexpression of H1HR was mainly due to the downregulation of miR-940 in HCC cells. Moreover, the H1HR inhibitor terfenadine significantly suppressed tumor growth and metastasis in an HCC xenograft nude mice model. Our findings demonstrate that H1HR plays a critical role in the growth and metastasis of HCC cells, which provides experimental evidence supporting H1HR as a potential drug target for the treatment of HCC.
Mitochondrial deficits in human iPSC-derived neurons from patients with 22q11.2 deletion syndrome and schizophrenia
Authors: Li Jianping , Ryan Sean K. , Deboer Erik , Cook Kieona , Fitzgerald Shane , Lachman Herbert M. , Wallace Douglas C. , Goldberg Ethan M. , Anderson Stewart A.
Published: November 2019

Schizophrenia (SZ) is a highly heterogeneous disorder in both its symptoms and risk factors. One of the most prevalent genetic risk factors for SZ is the hemizygous microdeletion at chromosome 22q11.2 (22q11DS) that confers a 25-fold increased risk. Six of the genes directly disrupted in 22qDS encode for mitochondrial-localizing proteins. Here, we test the hypothesis that stem cell-derived neurons from subjects with the 22q11DS and SZ have mitochondrial deficits relative to typically developing controls. Human iPSCs from four lines of affected subjects and five lines of controls were differentiated into forebrain-like excitatory neurons. In the patient group, we find significant reductions of ATP levels that appear to be secondary to reduced activity in oxidative phosphorylation complexes I and IV. Protein products of mitochondrial-encoded genes are also reduced. As one of the genes deleted in the 22q11.2 region is MRPL40, a component of the mitochondrial ribosome, we generated a heterozygous mutation of MRPL40 in a healthy control iPSC line. Relative to its isogenic control, this line shows similar deficits in mitochondrial DNA-encoded proteins, ATP level, and complex I and IV activity. These results suggest that in the 22q11DS MRPL40 heterozygosity leads to reduced mitochondria ATP production secondary to altered mitochondrial protein levels. Such defects could have profound effects on neuronal function in vivo.
Donor selection for a second allogeneic stem cell transplantation in AML patients relapsing after a first transplant: a study of the Acute Leukemia Working Party of EBMT
Authors: Shimoni Avichai , Labopin Myriam , Finke Jürgen , Ciceri Fabio , Deconinck Eric , Kröger Nicolaus , Gramatzki Martin , Stelljes Matthias , Blaise Didier , Stoelzel Friedrich , Chevallier Patrice , Holler Ernst , Fegueux Nathalie , Mohty Mohamad , Nagler Arnon
Published: November 2019

Second allogeneic stem-cell transplantation (SCT2) is a therapeutic option for patients with AML relapsing after a first transplant. Prior studies have shown similar results after SCT2 from the same or different donor; however, there are limited data on second non-T-depleted haplo-identical transplant in this setting. We retrospectively analyzed SCT2 outcomes in 556 patients, median age 46 years, relapsing after first transplant given in CR1. Patients were divided into three groups based on SCT2 donor (donor2): same donor (n = 163, sib/sib-112, UD/UD-51), different matched donor (n = 305, sib/different sib-44, sib/UD-93, UD/different UD-168), or haplo-donor (n = 88, sib/haplo-45, UD/haplo-43). Two-year leukemia-free survival (LFS) rate after SCT2 was 23.5%, 23.7%, and 21.8%, respectively (P = 0.30). Multivariate analysis showed no effect of donor2 type on relapse: hazard ratio (HR) 0.89 (P = 0.57) and 1.11 (P = 0.68) for different donor and haplo-donor compared to same donor, respectively. However, donor2 did predict for non-relapse mortality (NRM) after SCT2: HR 1.21 (P = 0.50) and 2.08 (P = 0.03), respectively, and for LFS: HR 1.00 (P = 0.97) and 1.43 (P = 0.07), respectively. In conclusion, SCT2 with the same or different matched donor is associated with similar outcomes in patients with relapsed AML. Non-T-depleted haplo-identical transplant may be associated with higher NRM, similar relapse rate and with no better results in this setting.
Controlled nonlinear magnetic damping in spin-Hall nano-devices
Authors: Divinskiy Boris , Urazhdin Sergei , Demokritov Sergej O. , Demidov Vladislav E.
Published: November 2019

Large-amplitude magnetization dynamics is substantially more complex compared to the low-amplitude linear regime, due to the inevitable emergence of nonlinearities. One of the fundamental nonlinear phenomena is the nonlinear damping enhancement, which imposes strict limitations on the operation and efficiency of magnetic nanodevices. In particular, nonlinear damping prevents excitation of coherent magnetization auto-oscillations driven by the injection of spin current into spatially extended magnetic regions. Here, we propose and experimentally demonstrate that nonlinear damping can be controlled by the ellipticity of magnetization precession. By balancing different contributions to anisotropy, we minimize the ellipticity and achieve coherent magnetization oscillations driven by spatially extended spin current injection into a microscopic magnetic disk. Our results provide a route for the implementation of efficient active spintronic and magnonic devices driven by spin current.
Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition
Authors: Sutton Christopher , Ghiringhelli Luca M. , Yamamoto Takenori , Lysogorskiy Yury , Blumenthal Lars , Hammerschmidt Thomas , Golebiowski Jacek R. , Liu Xiangyue , Ziletti Angelo , Scheffler Matthias
Published: November 2019

A public data-analytics competition was organized by the Novel Materials Discovery (NOMAD) Centre of Excellence and hosted by the online platform Kaggle by using a dataset of 3,000 (AlxGayIn1–x–y)2O3 compounds. Its aim was to identify the best machine-learning (ML) model for the prediction of two key physical properties that are relevant for optoelectronic applications: the electronic bandgap energy and the crystalline formation energy. Here, we present a summary of the top-three ranked ML approaches. The first-place solution was based on a crystal-graph representation that is novel for the ML of properties of materials. The second-place model combined many candidate descriptors from a set of compositional, atomic-environment-based, and average structural properties with the light gradient-boosting machine regression model. The third-place model employed the smooth overlap of atomic position representation with a neural network. The Pearson correlation among the prediction errors of nine ML models (obtained by combining the top-three ranked representations with all three employed regression models) was examined by using the Pearson correlation to gain insight into whether the representation or the regression model determines the overall model performance. Ensembling relatively decorrelated models (based on the Pearson correlation) leads to an even higher prediction accuracy.
Ecdysteroids are present in the blood of wild passerine birds
Authors: Hornok Sándor , Csorba Attila , Kováts Dávid , Csörgő Tibor , Hunyadi Attila
Published: November 2019

Ecdysteroids (arthropod molting hormones) play an important role in the development and sexual maturation of arthropods, and they have been shown to have anabolic and “energizing” effect in higher vertebrates. The aim of this study was to assess ecdysteroid diversity, levels according to bird species and months, as well as to observe the molting status of hard ticks (Acari: Ixodidae) infesting the birds. Therefore, blood samples and ticks were collected from 245 birds (244 songbirds and a quail). Mass spectrometric analyses showed that 15 ecdysteroids were regularly present in the blood samples. Molting hormones biologically most active in insects (including 20-hydroxyecdysone [20E], 2deoxy-20E, ajugasterone C and dacryhainansterone) reached different levels of concentration according to bird species and season. Similarly to ecdysteroids, the seasonal presence of affected, apolytic ticks peaked in July and August. In conclusion, this study demonstrates the presence of a broad range and high concentrations of ecdysteroids in the blood stream of wild-living passerine birds. These biologically active, anabolic compounds might possibly contribute to the known high metabolic rate of songbirds.
Systematic mutation analysis in rare colorectal cancer presenting ovarian metastases
Authors: Park Sungjin , Ahn Hee Kyung , Lee Dae Ho , Jung YunJae , Jeong Joo-Won , Nam Seungyoon , Lee Won-Suk
Published: November 2019

Although colorectal cancer is one of the most lethal cancer types in the world, its metastasis to the ovary is rare, compared to metastasis to other organs. Consequently, the genomic basis for colon-to-ovary metastasis remains unstudied, due to limited available patients, and thus there have been no attempts to construct individual-specific networks. Due to its rarity, the small sample size makes common mutations difficult to find. To overcome this problem, we herein attempted to apply a biological connectivity map called a sample-specific network (SSN), to reveal common biological functions in three samples. Our three samples were compared to a clinical dataset contained in The Cancer Genome Atlas (TCGA) Colorectal Adenocarcinoma (COAD), showing different mutational spectra, compared to matched samples based on age, gender, microsatellite instability (MSI) status, and tumor, node, metastasis (TNM) stage. The SSNs for the three samples revealed significant correlations of the mutation statuses of several apoptosis genes, in contrast to the TCGA-matched samples. Further analysis of a targeted-gene panel sequencing dataset for colon-to-ovary metastasis of primary tumor samples also confirmed significant correlations of the mutational statuses among apoptosis genes. In summary, using SSN, we successfully identified a common function (apoptosis) among our three patients having colon-to-ovary metastasis, despite no common mutations in the three patients. Such computational analyses could facilitate productive study of rare cancers and other diseases.
Effect of inoculated azotobacteria and Phanerochaete chrysosporium on the composting of olive pomace: Microbial community dynamics and phenols evolution
Authors: Milanović Vesna , Osimani Andrea , Cardinali Federica , Taccari Manuela , Garofalo Cristiana , Clementi Francesca , Ashoor Selim , Mozzon Massimo , Foligni Roberta , Canonico Laura , Ciani Maurizio , Aquilanti Lucia
Published: November 2019

The effect of inoculated azotobacteria and basidiomycetes white-rot fungi on the population dynamics of bacteria and eumycetes during the co-composting of olive mill pomace and wheat straw was evaluated by Polymerase Chain Reaction-Denaturing Gradient Gel Electrophoresis (PCR-DGGE) analysis combined with sequencing of rRNA gene amplicons from selected DGGE bands. The evolution of pH, temperature, phytotoxicity and water-soluble phenol content during co-composting was also monitored. In general, a similar evolution of microbial biodiversity was seen in both the inoculated and uninoculated (control) piles, which was in keeping with a similar evolution of phytotoxicity and water-soluble phenol content. Overall, under the conditions applied, data suggest a marginal influence of the inoculated starters on the physical, chemical and microbiological properties of compost piles, with the resident microbiota playing a major role.
Mixed-Cropping Between Field Pea Varieties Alters Root Bacterial and Fungal Communities
Authors: Horner Anthony , Browett Samuel S. , Antwis Rachael E.
Published: November 2019

Modern agricultural practices have vastly increased crop production but negatively affected soil health. As such, there is a call to develop sustainable, ecologically-viable approaches to food production. Mixed-cropping of plant varieties can increase yields, although impacts on plant-associated microbial communities are unclear, despite their critical role in plant health and broader ecosystem function. We investigated how mixed-cropping between two field pea (Pisum sativum L.) varieties (Winfreda and Ambassador) influenced root-associated microbial communities and yield. The two varieties supported significantly different fungal and bacterial communities when grown as mono-crops. Mixed-cropping caused changes in microbial communities but with differences between varieties. Root bacterial communities of Winfreda remained stable in response to mixed-cropping, whereas those of Ambassador became more similar to Winfreda. Conversely, root fungal communities of Ambassador remained stable under mixed-cropping, and those of Winfreda shifted towards the composition of Ambassador. Microbial co-occurrence networks of both varieties were stronger and larger under mixed-cropping, which may improve stability and resilience in agricultural soils. Both varieties produced slightly higher yields under mixed-cropping, although overall Ambassador plants produced higher yields than Winfreda plants. Our results suggest that variety diversification may increase yield and promote microbial interactions.
Stratifying risk of acute kidney injury in pre and post cardiac surgery patients using a novel biomarker-based algorithm and clinical risk score
Authors: McBride William T. , Kurth Mary Jo , McLean Gavin , Domanska Anna , Lamont John V. , Maguire Daniel , Watt Joanne , Fitzgerald Peter , Young Ian , Joseph Jijin , Ruddock Mark W.
Published: November 2019

Acute kidney injury (AKI) following cardiac surgery significantly increases morbidity and mortality risks. Improving existing clinical methods of identifying patients at risk of perioperative AKI may advance management and treatment options. This study investigated whether a combination of biomarkers and clinical factors pre and post cardiac surgery could stratify patients at risk of developing AKI. Patients (n = 401) consecutively scheduled for elective cardiac surgery were prospectively studied. Clinical data was recorded and blood samples were tested for 31 biomarkers. Areas under receiver operating characteristic (AUROCs) were generated for biomarkers pre and postoperatively to stratify patients at risk of AKI. Preoperatively sTNFR1 had the highest predictive ability to identify risk of developing AKI postoperatively (AUROC 0.748). Postoperatively a combination of H-FABP, midkine and sTNFR2 had the highest predictive ability to identify AKI risk (AUROC 0.836). Preoperative clinical risk factors included patient age, body mass index and diabetes. Perioperative factors included cardio pulmonary bypass, cross-clamp and operation times, intra-aortic balloon pump, blood products and resternotomy. Combining biomarker risk score (BRS) with clinical risk score (CRS) enabled pre and postoperative assignment of patients to AKI risk categories. Combining BRS with CRS will allow better management of cardiac patients at risk of developing AKI.
Investigation of a tellurium-packed column for isolation of astatine-211 from irradiated bismuth targets and demonstration of a semi-automated system
Authors: Li Yawen , Hamlin Donald K. , Chyan Ming-Kuan , Morscheck Taylor M. , Ferrier Maryline G. , Wong Roger , Wilbur D. Scott
Published: November 2019

Astatine-211 is an attractive radionuclide for use in targeted alpha therapy of blood-borne diseases and micrometastatic diseases. Efficient isolation methods that can be adapted to robust automated 211At isolation systems are of high interest for improving the availability of 211At. Based on the early studies of Bochvarova and co-workers involving isolation of 211At from irradiated thorium targets, we developed a method for 211At isolation from bismuth targets using tellurium-packed columns. Dissolution of irradiated bismuth targets is accomplished using HNO3; however, 211At is not captured on the Te column material in this matrix. Our method involves slow addition of aqueous NH2OH·HCl to the Bi target dissolved in HNO3 to convert to a HCl matrix. The amount of NH2OH·HCl was optimized because (1) the quantity of NH2OH·HCl used appears to affect the radiolabeling yield of phenethyl-closo-decaborate(2-) (B10)-conjugated antibodies and (2) reducing the volume of NH2OH·HCl solution can effectively shorten the overall isolation time. A proof-of-concept semi-automated process has been demonstrated using targets containing ~0.96 GBq (~26 mCi) of 211At. High isolation yields (88–95%) were obtained. Radiochemical purity of the isolated 211At was assessed by radio-HPLC. Concentrations of Bi and Te contaminants in the 211At and the astatinated antibodies were evaluated using ICP-MS.
Prediction of Absorption Spectrum Shifts in Dyes Adsorbed on Titania
Authors: Venkatraman Vishwesh , Yemene Amsalu Efrem , de Mello John
Published: November 2019

Dye adsorption on metal-oxide films often results in small to substantial absorption shifts relative to the solution phase, with undesirable consequences for the performance of dye-sensitized solar cells and optical sensors. While density functional theory is frequently used to model such behaviour, it is too time-consuming for rapid assessment. In this paper, we explore the use of supervised machine learning to predict whether dye adsorption on titania is likely to induce a change in its absorption characteristics. The physicochemical features of each dye were encoded as a numeric vector whose elements are the counts of molecular fragments and topological indices. Various classification models were subsequently trained to predict the type of absorption shift i.e. blue, red or unchanged (|Δλ| ≤ 10 nm). The models were able to predict the nature of the shift with a good likelihood (~80%) of success when applied to unseen data.
The autonomic innervation of hairy skin in humans: an in vivo confocal study
Authors: Donadio Vincenzo , Incensi Alex , Vacchiano Veria , Infante Rossella , Magnani Martina , Liguori Rocco
Published: November 2019

The autonomic innervation of the skin includes different subsets of adrenergic and cholinergic fibers both in humans and animals. The corresponding chemical code is complex and often difficult to ascertain. Accordingly, a detailed histochemical description of skin autonomic fiber subtypes is lacking in humans. To characterize skin autonomic nerve subtypes may help to better understand the selective damage of specific skin autonomic fibers affecting human diseases such as the adrenergic fibers directed to skin vessels in Parkinson’s disease or the cholinergic sudomotor fibers in Ross Syndrome. The present study aimed at characterizing subtypes of autonomic fibers in relation to their target organs by means of an immunofluorescent technique and confocal microscopy. We studied 8 healthy subjects (5 males and 3 females) aged 45 ± 2 (mean ± SE) years without predisposing causes for peripheral neuropathy or autonomic disorders. They underwent skin biopsy from proximal (thigh) and distal (leg) hairy skin. A combination of adrenergic (i.e. tyrosine-hydroxylase- TH and dopamine beta-hydroxylase- DbH) and cholinergic (vesicular acetylcholine transporter- VACHT) autonomic markers and neuropeptidergic (i.e. neuropeptide Y- NPY, calcitonin gene-related peptide- CGRP, substance P- SP, and vasoactive intestinal peptide- VIP) markers were used to characterize skin autonomic fibers. The analysed skin autonomic structures included: 58 sweat glands, 91 skin arterioles and 47 arrector pili muscles. Our results showed that all skin structures presented a sympathetic adrenergic but also cholinergic innervation although in different proportions. Sympathetic adrenergic fibers were particularly abundant around arterioles and arrector pili muscles whereas sympathetic cholinergic fibers were mainly found around sweat glands. Neuropeptides were differently expressed in sympathetic fibers: NPY were found in sympathetic adrenergic fibers around skin arterioles and very seldom sweat glands but not in adrenergic fibers of arrector pili muscles. By contrast CGRP, SP and VIP were expressed in sympathetic cholinergic fibers. Cholinergic fibers expressing CGRP, SP or VIP without TH or DbH staining were found in arterioles and arrector pili muscles and they likely represent parasympathetic fibers. In addition, all skin structures contained a small subset of neuropeptidergic fibers devoid of adrenergic and cholinergic markers with a likely sensory function. No major differences were found between males and females and proximal and distal sites. In summary hairy skin contains sympathetic adrenergic and cholinergic fibers differently distributed around skin structures with a specific distribution of neuropeptides. The autonomic skin innervation also contains a small amount of fibers, likely to be parasympathetic and sensory.
An electrochemical aptamer-based sensor prepared by utilizing the strong interaction between a DNA aptamer and diamond
Authors: Asai Kai , Yamamoto Takashi , Nagashima Shinichi , Ogata Genki , Hibino Hiroshi , Einaga Yasuaki
Published: November 2019

An aptamer sensor can be prepared by just dipping a diamond electrode in a DNA solution.
A novel nopinone-based fluorescent probe for colorimetric and ratiometric detection of hypochlorite and its applications in water samples and living cells
Authors: Jiang Qian , Wang Zhonglong , Li Mingxin , Song Jie , Yang Yiqin , Xu Xu , Xu Haijun , Wang Shifa
Published: November 2019

A novel nopinone-based fluorescence probe for colorimetric and ratiometric detection of ClO− was designed and synthesized. The novel probe OFN was applied for detection of the concentration of ClO− in water samples and living HeLa cells.
Rational design of a novel turn-on fluorescent probe for the detection and bioimaging of hydrazine with barbituric acid as a recognition group
Authors: Du Junli , Li Xiaolu , Ruan Songsong , Li Yingchun , Ren Fan , Cao Yanjun , Wang Xiaoqing , Zhang Yongmin , Wu Shaoping , Li Jianli
Published: November 2019

A novel turn-on fluorescent probe with barbituric acid as a unique recognition group has been rationally designed and synthesized using a facile method for detecting hydrazine.
Nickel-catalyzed exo-selective hydroacylation/Suzuki cross-coupling reaction
Authors: Lee Shao-Chi , Guo Lin , Rueping Magnus
Published: November 2019

The first nickel-catalyzed intramolecular hydroacylation/Suzuki cross coupling cascade of o-allylbenzaldehydes with a broad range of phenylboronic acid neopentyl glycol esters has been developed.
Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents
Authors: Ishikawa Atsushi , Sodeyama Keitaro , Igarashi Yasuhiko , Nakayama Tomofumi , Tateyama Yoshitaka , Okada Masato
Published: November 2019

Coordination energy of five ion species to 70 electrolyte solvents are predicted by machine learning combined with first-principle calculation.
Light emission colour modulation study of oxyluciferin synthetic analoguesviaQM and QM/MM approaches
Authors: Zemmouche Madjid , García-Iriepa Cristina , Navizet Isabelle
Published: November 2019

Study of emission spectra of three analogues of firefly oxyluciferin in gas phase, in water (PCM) and in protein.
OBCN isomerization and noble gas insertion compounds of identical valence electron number species: stability and bonding
Authors: Wen Mei , Li Zhuo Zhe , Li An Yong
Published: November 2019

A series of new noble gas (Ng) insertion compounds of the general type XNgX, XNgY and XNgY+ has been theoretically studied using ab initio and DFT methods herein.
Charge separation and molecule activation promoted by Pd/MIL-125-NH2hybrid structures for selective oxidation reactions
Authors: Wang Ting , Tao Xueqin , Xiao Yi , Qiu Ganhua , Yang Yun , Li Benxia
Published: November 2019

The Pd/MIL-125-NH2hybrid photocatalyst exhibits great advantages in charge separation and molecule activation, with sufficient generation of both superoxide radical and singlet oxygen toward selective oxidation of organic molecules.
Structural and cryogenic magnetic properties of RE2Ni2In (RE = Pr, Nd, Dy and Ho) compounds
Authors: Zhang Zhenqian , Wang Pengyu , Rong Huawei , Li Lingwei
Published: November 2019

The crystal structures, magnetic properties and magneto-caloric effects (MCEs) of RE2Ni2In (RE = Pr, Nd, Dy and Ho) compounds were investigated.
The oxidative dehydrogenation of a coumarinyl scaffold with copper ion and metal ion detection in human liver cancer cells (HepG2)
Authors: Dey Sunanda , Maity Suvendu , Pal Kunal , Jana Kuladip , Sinha Chittaranjan
Published: November 2019

A coumarinyl scaffold undergoes oxidative dehydrogenation in the presence of copper ions and detects Zn2+ions in the HepG2 cell line.
A sandwich-like Si/SiC/nanographite sheet as a high performance anode for lithium-ion batteries
Authors: Zhang Yi , Hu Kai , Ren Jinghui , Wu Yuping , Yu Nengfei , Feng Ailing , Huang Zhengyong , Jia Zirui , Wu Guanglei
Published: November 2019

A novel Si/SiC/NanoG nanocomposite anode for lithium-ion batteries with a sandwich structure and improved cycling performance.
Thermally regulated molybdate-based ionic liquids toward molecular oxygen activation for one-pot oxidative cascade catalysis
Authors: Song Zhibin , Huang Wei , Zhou Yan , Tian Zi-Qi , Li Zhang-Min , Tao Duan-Jian
Published: November 2019

A family of thermally regulated molybdate-based ionic liquids has been developed for highly efficient synthesis of various flavones, imines, and benzyl benzoates through one-pot oxidative cascade catalysis.
Meta-analysis: the molecular organization of non-fullerene acceptors
Authors: Mondelli Pierluigi , Boschetto Gabriele , Horton Peter N. , Tiwana Priti , Skylaris Chris-Kriton , Coles Simon J. , Krompiec Michal , Morse Graham
Published: November 2019

The chemical structure of a molecule influences the molecular conformation in the solid-state affecting the crystal packing, which in turn drives the charge carrier transport anisotropy.
An aminotetracyanocyclopentadienide system: light-induced formation of a thermally stable cyclopentadienyl radical
Authors: Nimax Patrick R. , Zoller Florian , Blockhaus Tobias , Küblböck Teresa , Fattakhova-Rohlfing Dina , Sünkel Karlheinz
Published: November 2019

Crystals of the aminotetracyanocyclopentadienyl radical were obtained from the reaction of CaCl2with Ag[C5(CN)4(NH2)] and recrystallization in MeOH was performed in sunlight.
Oxygen reduction reaction mechanism on P, N co-doped graphene: a density functional theory study
Authors: Liang Zhao , Liu Chao , Chen Mingwei , Qi Xiaopeng , U. Pramod Kumar , Peera S. Gouse , Liu Juan , He Julong , Liang Tongxiang
Published: November 2019

DFT calculations confirmed that the P–N coupled site changed the ORR pathway and improved the catalytic activity compared with single doping.
Phosphotyrosine isosteres: past, present and future
Authors: Cerulli Robert A. , Kritzer Joshua A.
Published: November 2019

In this Review, Cerulli and Kritzer describe the past, present, and future potential of medicinal chemistry approaches to mimicking phosphotyrosine.
Ultrathin MnO2 nanoflakes grown on N-doped hollow carbon spheres for high-performance aqueous zinc ion batteries
Authors: Chen Linlin , Yang Zhanhong , Cui Fan , Meng Jinlei , Jiang Yinan , Long Jun , Zeng Xiao
Published: November 2019

Ultrathin MnO2 nanoflakes grown on N-doped hollow carbon spheres are demonstrated to display improved rate and cycling performance in AZIBs.
A high-sensitive room temperature gas sensor based on cobalt phthalocyanines and reduced graphene oxide nanohybrids for the ppb-levels of ammonia detection
Authors: Guo ZhiJiang , Wang Bin , Wang Xiaolin , Li Yong , Gai Shijie , Wu Yiqun , Cheng XiaoLi
Published: November 2019

Highly sensitive gas sensing materials are of great importance for environmental pollution monitoring.
Biophysical restriction of growth area using a monodispersed gold sphere nanobarrier prolongs the mitotic phase in HeLa cells
Authors: Jung Dae-Woong , Ro Hyun-Joo , Kim Junmin , Kim Seung Il , Yi Gi-Ra , Lee Gaehang , Jun Sangmi
Published: November 2019

Homogeneous 83 nm gold nanospheres with a human fibronectin-coated substrate surrounding the cells induce biophysical cues which result in a delay in the mitotic phase of the cell cycle.
Synergistic effect of a noble metal free Ni(OH)2 co-catalyst and a ternary ZnIn2S4/g-C3N4 heterojunction for enhanced visible light photocatalytic hydrogen evolution
Authors: Nagappagari Lakshmana Reddy , Samanta Soumadri , Sharma Nidhi , Battula Venugopala Rao , Kailasam Kamalakannan
Published: November 2019

A plausible reaction mechanism for photocatalytic hydrogen production by employing a ZnIn2S4/g-C3N4@Ni(OH)2 heterojunction photocatalyst under visible light irradiation.
Simultaneous electric production and sizing of emulsion droplets in microfluidics
Authors: Lee Sang Jun , Kang Ji Yoon , Choi Wonjoon , Kwak Rhokyun
Published: November 2019

We propose the buffer-less electric emulsification platform that is able to characterize emulsion properties with embedded resistive pulse sensing (RPS) method.
Improving the Li–S battery performance by applying a combined interface engineering approach on the Li2S cathode
Authors: Hao Junran , Pan Yuede , Chen Weihua , Zhu Xuanbo , Zhou Yahong , Chou Shulei
Published: November 2019

Building a combined interface in a Li2S cathode-based battery by integrating SPEEK into the cathode and inserting a SWCNT/rGO interlayer develops a new strategy from the viewpoint of interface engineering to achieve a high-performance Li–S battery.
Preparation and characterization of a supramolecular hydrogel made of phospholipids and oleic acid with a high water content
Authors: Talló Kirian , Bosch Manel , Pons Ramon , Cocera Mercedes , López Olga
Published: November 2019

Formation of a structured lipid hydrogel able to accommodate a high amount of water (95%) without needing gelling agents.
Effect of stress on the molecular structure and mechanical properties of supercontracted spider dragline silks
Authors: Dong Qinglin , Fang Guangqiang , Huang Yufang , Hu Linli , Yao Jinrong , Shao Zhengzhong , Ling Shengjie , Chen Xin
Published: November 2019

Through studies on the molecular structures and mechanical properties of spider dragline silks undergoing different supercontraction processes, a further understanding on the spinning mechanism is achieved.
Low complexity MIMO‐RB‐F‐OFDM systems using antenna selection technique
Authors: Bendimerad Yassine , Bendimerad Fethi Tarik
Published: November 2019

The next generation of wireless communications prognosticates that communication should take place with a high degree of heterogeneity in terms of services and requirements. The emergence of new communication networks, especially between devices, such as internet of things networks and machine‐type communications, makes the redesign of actual systems even more critical. The high data rate, efficient use of the spectrum, low latency, flexibility, scalability, energy efficiency, and multiple‐input multiple‐output (MIMO) compatibility are in the vanguard of the challenging needs. In the present study, the authors highlight the necessity of overriding classical waveforms and of using new radio (NR) interfaces that best fit the requirements with reduced complexity. All proposed NRs add computational complexity compared to orthogonal frequency division multiplexing (OFDM), this one is even more weighty in a MIMO combination. To this end, they propose to employ antenna selection technique based on the pairwise error probability for the resource block filtered OFDM (RB‐F‐OFDM) systems to reduce complexity as well as bit error rate degradation.
Demand response procurement framework: a new four‐step probabilistic method
Authors: Ma Jessie , Venkatesh Bala
Published: November 2019

This study presents a new market‐driven and transparent pricing mechanism for demand response (DR) that ensures social welfare is maximised. The existing methods have DR priced at the electricity market clearing price (EMCP), where the EMCP is determined in a market solely comprised of aggregated generator price bids and demand bids. DR supply bids are not included in the current economic market model, resulting in inefficient markets. The authors also present a new metric, Actual Price, which captures two key elements missed by EMCP: (a) the price paid to DR suppliers (EMCP covers only the price paid to generators); and (b) the reduced pool of paying consumers when DR suppliers leave the buyer pool. An implementable process for DR planning using the authors’ new concepts is presented. Results are shown for systems with and without location pricing. The results demonstrate that the proposed DR procurement method yields lower Actual Prices than existing methods and results in savings for customers. These ideas can guide regulators in determining market‐based pricing policies for DR as well as Independent System Operators and system operators in determining DR procurement levels.
Promising framework based on multistep continuous Newton scheme for developing robust PF methods
Authors: Tostado‐Véliz Marcos , Kamel Salah , Jurado Francisco
Published: November 2019

Solving power‐flow (PF) problem of ill‐conditioned systems is still a challenge in realistic power systems due to most of available techniques are quite inefficient. This study aims to address this issue by introducing a novel PF solution paradigm. It basically reformulates the traditional continuous Newton's method in a multistep scheme, so that, the variables are progressively refined each step using different numerical arrangements. The developed solution paradigm envisages a novel family of PF techniques. For the sake of exemplify, two novel methods based on the introduced solution paradigm are developed. They are tested in several large‐scale realistic ill‐conditioned systems under different stressing and demanding conditions. Up to eight well known PF solution techniques are considered for comparison. Results shown that the introduced solution paradigm constitutes a promising framework for developing robust and efficient PF methods, which may be widespread used in industry applications.
Evaluating salient object detection in natural images with multiple objects having multi‐level saliency
Authors: Yildirim Gökhan , Sen Debashis , Kankanhalli Mohan , Süsstrunk Sabine
Published: November 2019

Salient object detection is evaluated using binary ground truth (GT) with the labels being salient object class and background. In this study, the authors corroborate based on three subjective experiments on a novel image dataset that objects in natural images are inherently perceived to have varying levels of importance. The authors' dataset, named SalMoN (saliency in multi‐object natural images), has 588 images containing multiple objects. The subjective experiments performed record spontaneous attention and perception through eye fixation duration, point clicking and rectangle drawing. As object saliency in a multi‐object image is inherently multi‐level, they propose that salient object detection must be evaluated for the capability to detect all multi‐level salient objects apart from the salient object class detection capability. For this purpose, they generate multi‐level maps as GT corresponding to all the dataset images using the results of the subjective experiments, with the labels being multi‐level salient objects and background. They then propose the use of mean absolute error, Kendall's rank correlation and average area under precision–recall curve to evaluate existing salient object detection methods on their multi‐level saliency GT dataset. Approaches that represent saliency detection on images as local‐global hierarchical processing of a graph perform well in their dataset.
Analysis of kink reduction and reliability issues in low‐voltage DTD‐based SOI TFET
Authors: Ghosh Puja , Bhowmick Brinda
Published: November 2019

This work proposes a silicon‐on‐insulator (SOI) tunnel field‐effect transistor (TFET) with highly doped p++ ‐type L‐shaped trench, which creates two dual tunnel diodes (DTDs) and compares the results with conventional SOI (C‐SOI) TFET structure. Kink effect is analysed in SOI TFET, and for eliminating kink effect, a method has been proposed. The tunnel current of the DTD eliminates the accumulation of holes and mitigates the kink effect. The impact of temperature variation on kink effect has been studied. In the case of C‐SOI device, kink effect postpones with the rise in temperature and the DTD‐SOI device provides improved performance even at high temperature with no kink in the current–voltage characteristics. Moreover, the reliability issues of DTD‐SOI device have been examined by considering various noise components in the presence of interface traps.
Anomalous peculiar motions of high-mass young stars in the Scutum spiral arm
Authors: Immer K. , Li J. , Quiroga-Nuñez L. H. , Reid M. J. , Zhang B. , Moscadelli L. , Rygl K. L. J.
Published: November 2019

We present trigonometric parallax and proper motion measurements toward 22 GHz water and 6.7 GHz methanol masers in 16 high-mass star-forming regions. These sources are all located in the Scutum spiral arm of the Milky Way. The observations were conducted as part of the Bar and Spiral Structure Legacy (BeSSeL) survey. A combination of 14 sources from a forthcoming study and 14 sources from the literature, we now have a sample of 44 sources in the Scutum spiral arm, covering a Galactic longitude range from 0° to 33°. A group of 16 sources shows large peculiar motions of which 13 are oriented toward the inner Galaxy. A likely explanation for these high peculiar motions is the combined gravitational potential of the spiral arm and the Galactic bar.
An improved multi-ridge fitting method for ring-diagram helioseismic analysis
Authors: Nagashima Kaori , Birch Aaron C. , Schou Jesper , Hindman Bradley W. , Gizon Laurent
Published: November 2019

Context.There is a wide discrepancy in current estimates of the strength of convection flows in the solar interior obtained using different helioseismic methods applied to observations from the Helioseismic and Magnetic Imager onboard the Solar Dynamics Observatory. The cause for these disparities is not known.

Aims.As one step in the effort to resolve this discrepancy, we aim to characterize the multi-ridge fitting code for ring-diagram helioseismic analysis that is used to obtain flow estimates from local power spectra of solar oscillations.

Methods.We updated the multi-ridge fitting code developed by Greer et al. (2014, Sol. Phys., 289, 2823) to solve several problems we identified through our inspection of the code. In particular, we changed the (1) merit function to account for the smoothing of the power spectra, (2) model for the power spectrum, and (3) noise estimates. We used Monte Carlo simulations to generate synthetic data and to characterize the noise and bias of the updated code by fitting these synthetic data.

Results.The bias in the output fit parameters, apart from the parameter describing the amplitude of thep-mode resonances in the power spectrum, is below what can be measured from the Monte-Carlo simulations. The amplitude parameters are underestimated; this is a consequence of choosing to fit the logarithm of the averaged power. We defer fixing this problem as it is well understood and not significant for measuring flows in the solar interior. The scatter in the fit parameters from the Monte-Carlo simulations is well-modeled by the formal error estimates from the code.

Conclusions.We document and demonstrate a reliable multi-ridge fitting method for ring-diagram analysis. The differences between the updated fitting results and the original results are less than one order of magnitude and therefore we suspect that the changes will not eliminate the aforementioned orders-of-magnitude discrepancy in the amplitude of convective flows in the solar interior.
Development of model of the quality of the appearance of paint and varnish coatings
Authors: Loganina Valentina
Published: November 2019

The regularities of the formation of the quality of the appearance of coatings from the rheological and technological properties of colorful compositions are established. It was revealed that with an increase in the surface tension of paint , a lower quality of the appearance of the resulting coating is observed. With an increase in the porosity of the substrate, an increase in the surface roughness of the coatings is observed. A model of the appearance quality of coatings is proposed depending on the porosity of the substrate and the surface tension of the paint composition
Usage of the influence coefficient during calculation of a nominal error of gas counters
Authors: Ostapenko M.S. , Popova M.A. , Tveryakov A.M.
Published: November 2019

In this paper, we evaluate the method of finding the relative error of gas flow meters taking into account the influence coefficients. A literature analysis was carried out, which showed that flow meters are used at oil and gas enterprises, which show its metrological characteristic, showing specific values of gas flow in operating conditions. Various types of gas flow meters are considered, with a description of the quality indicators of the devices. An additional error was investigated depending on changes in operating conditions. The calculations of the relative error of the meter taking into account the limiting values of the additional errors indicated in the technical documentation, as well as calculations taking into account the coefficients of influence under operating conditions. Based on the obtained values of the influence coefficients, graphs were constructed on which the effect of temperature and pressure on the error was determined. The article provides tabular values of the influence coefficients for petroleum gas, a conclusion is drawn on the applicability of this method.Oil and gas industry have a great influence on development of national economy in our country. Oil and gas have a leading position in energy industry and they are more effective and energy-intense in comparison with other natural substances.
Some peculiarities of aluminum and titanium alloys stamping
Authors: Galkin Evgeny
Published: November 2019

The research is devoted to the technological peculiarities of hemispherical shells of high duty-alloys. The article shows the results of finite-element modelling process and the methodology of technological junction during punching.