bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation of CNV detection tools for NGS panel data in genetic diagnostics
Authors: Moreno-Cabrera José Marcos , del Valle Jesús , Castellanos Elisabeth , Feliubadaló Lidia , Pineda Marta , Brunet Joan , Serra Eduard , Capellà Gabriel , Lázaro Conxi , Gel Bernat
Published: June 2020

Although germline copy-number variants (CNVs) are the genetic cause of multiple hereditary diseases, detecting them from targeted next-generation sequencing data (NGS) remains a challenge. Existing tools perform well for large CNVs but struggle with single and multi-exon alterations. The aim of this work is to evaluate CNV calling tools working on gene panel NGS data and their suitability as a screening step before orthogonal confirmation in genetic diagnostics strategies. Five tools (DECoN, CoNVaDING, panelcn.MOPS, ExomeDepth, and CODEX2) were tested against four genetic diagnostics datasets (two in-house and two external) for a total of 495 samples with 231 single and multi-exon validated CNVs. The evaluation was performed using the default and sensitivity-optimized parameters. Results showed that most tools were highly sensitive and specific, but the performance was dataset dependant. When evaluating them in our diagnostics scenario, DECoN and panelcn.MOPS detected all CNVs with the exception of one mosaic CNV missed by DECoN. However, DECoN outperformed panelcn.MOPS specificity achieving values greater than 0.90 when using the optimized parameters. In our in-house datasets, DECoN and panelcn.MOPS showed the highest performance for CNV screening before orthogonal confirmation. Benchmarking and optimization code is freely available at https://github.com/TranslationalBioinformaticsIGTP/CNVbenchmarkeR.
The atypical chemokine receptor ACKR3/CXCR7 is a broad-spectrum scavenger for opioid peptides
Authors: Meyrath Max , Szpakowska Martyna , Zeiner Julian , Massotte Laurent , Merz Myriam P. , Benkel Tobias , Simon Katharina , Ohnmacht Jochen , Turner Jonathan D. , Krüger Rejko , Seutin Vincent , Ollert Markus , Kostenis Evi , Chevigné Andy
Published: June 2020

Endogenous opioid peptides and prescription opioid drugs modulate pain, anxiety and stress by activating opioid receptors, currently classified into four subtypes. Here we demonstrate that ACKR3/CXCR7, hitherto known as an atypical scavenger receptor for chemokines, is a broad-spectrum scavenger of opioid peptides. Phylogenetically, ACKR3 is intermediate between chemokine and opioid receptors and is present in various brain regions together with classical opioid receptors. Functionally, ACKR3 is a scavenger receptor for a wide variety of opioid peptides, especially enkephalins and dynorphins, reducing their availability for the classical opioid receptors. ACKR3 is not modulated by prescription opioids, but we show that an ACKR3-selective subnanomolar competitor peptide, LIH383, can restrain ACKR3’s negative regulatory function on opioid peptides in rat brain and potentiate their activity towards classical receptors, which may open alternative therapeutic avenues for opioid-related disorders. Altogether, our results reveal that ACKR3 is an atypical opioid receptor with cross-family ligand selectivity.
Distinct pseudokinase domain conformations underlie divergent activation mechanisms among vertebrate MLKL orthologues
Authors: Davies Katherine A. , Fitzgibbon Cheree , Young Samuel N. , Garnish Sarah E. , Yeung Wayland , Coursier Diane , Birkinshaw Richard W. , Sandow Jarrod J. , Lehmann Wil I. L. , Liang Lung-Yu , Lucet Isabelle S. , Chalmers James D. , Patrick Wayne M. , Kannan Natarajan , Petrie Emma J. , Czabotar Peter E. , Murphy James M.
Published: June 2020

The MLKL pseudokinase is the terminal effector in the necroptosis cell death pathway. Phosphorylation by its upstream regulator, RIPK3, triggers MLKL’s conversion from a dormant cytoplasmic protein into oligomers that translocate to, and permeabilize, the plasma membrane to kill cells. The precise mechanisms underlying these processes are incompletely understood, and were proposed to differ between mouse and human cells. Here, we examine the divergence of activation mechanisms among nine vertebrate MLKL orthologues, revealing remarkable specificity of mouse and human RIPK3 for MLKL orthologues. Pig MLKL can restore necroptotic signaling in human cells; while horse and pig, but not rat, MLKL can reconstitute the mouse pathway. This selectivity can be rationalized from the distinct conformations observed in the crystal structures of horse and rat MLKL pseudokinase domains. These studies identify important differences in necroptotic signaling between species, and suggest that, more broadly, divergent regulatory mechanisms may exist among orthologous pseudoenzymes.
Rapidly-migrating and internally-generated knickpoints can control submarine channel evolution
Authors: Heijnen Maarten S. , Clare Michael A. , Cartigny Matthieu J. B. , Talling Peter J. , Hage Sophie , Lintern D. Gwyn , Stacey Cooper , Parsons Daniel R. , Simmons Stephen M. , Chen Ye , Sumner Esther J. , Dix Justin K. , Hughes Clarke John E.
Published: June 2020

Submarine channels are the primary conduits for terrestrial sediment, organic carbon, and pollutant transport to the deep sea. Submarine channels are far more difficult to monitor than rivers, and thus less well understood. Here we present 9 years of time-lapse mapping of an active submarine channel along its full length in Bute Inlet, Canada. Past studies suggested that meander-bend migration, levee-deposition, or migration of (supercritical-flow) bedforms controls the evolution of submarine channels. We show for the first time how rapid (100–450 m/year) upstream migration of 5-to-30 m high knickpoints can control submarine channel evolution. Knickpoint migration-related changes include deep (>25 m) erosion, and lateral migration of the channel. Knickpoints in rivers are created by external factors, such as tectonics, or base-level change. However, the knickpoints in Bute Inlet appear internally generated. Similar knickpoints are found in several submarine channels worldwide, and are thus globally important for how channels operate.
Remote assessment of the fate of phytoplankton in the Southern Ocean sea-ice zone
Authors: Moreau Sébastien , Boyd Philip W. , Strutton Peter G.
Published: June 2020

In the Southern Ocean, large-scale phytoplankton blooms occur in open water and the sea-ice zone (SIZ). These blooms have a range of fates including physical advection, downward carbon export, or grazing. Here, we determine the magnitude, timing and spatial trends of the biogeochemical (export) and ecological (foodwebs) fates of phytoplankton, based on seven BGC-Argo floats spanning three years across the SIZ. We calculate loss terms using the production of chlorophyll—based on nitrate depletion—compared with measured chlorophyll. Export losses are estimated using conspicuous chlorophyll pulses at depth. By subtracting export losses, we calculate grazing-mediated losses. Herbivory accounts for ~90% of the annually-averaged losses (169 mg C m−2 d−1), and phytodetritus POC export comprises ~10%. Furthermore, export and grazing losses each exhibit distinctive seasonality captured by all floats spanning 60°S to 69°S. These similar trends reveal widespread patterns in phytoplankton fate throughout the Southern Ocean SIZ.
Mitochondria-adaptor TRAK1 promotes kinesin-1 driven transport in crowded environments
Authors: Henrichs Verena , Grycova Lenka , Barinka Cyril , Nahacka Zuzana , Neuzil Jiri , Diez Stefan , Rohlena Jakub , Braun Marcus , Lansky Zdenek
Published: June 2020

Intracellular trafficking of organelles, driven by kinesin-1 stepping along microtubules, underpins essential cellular processes. In absence of other proteins on the microtubule surface, kinesin-1 performs micron-long runs. Under crowding conditions, however, kinesin-1 motility is drastically impeded. It is thus unclear how kinesin-1 acts as an efficient transporter in intracellular environments. Here, we demonstrate that TRAK1 (Milton), an adaptor protein essential for mitochondrial trafficking, activates kinesin-1 and increases robustness of kinesin-1 stepping on crowded microtubule surfaces. Interaction with TRAK1 i) facilitates kinesin-1 navigation around obstacles, ii) increases the probability of kinesin-1 passing through cohesive islands of tau and iii) increases the run length of kinesin-1 in cell lysate. We explain the enhanced motility by the observed direct interaction of TRAK1 with microtubules, providing an additional anchor for the kinesin-1-TRAK1 complex. Furthermore, TRAK1 enables mitochondrial transport in vitro. We propose adaptor-mediated tethering as a mechanism regulating kinesin-1 motility in various cellular environments.
Chromosome-level genome assembly of Tarim red deer, Cervus elaphus yarkandensis
Authors: Ba Hengxing , Cai Zexi , Gao Haoyang , Qin Tao , Liu Wenyuan , Xie Liuwei , Zhang Yaolei , Jing Binyu , Wang Datao , Li Chunyi
Published: June 2020

Tarim red deer (Cervus elaphus yarkandensis) is the only subspecies of red deer (of 22 subspecies) from Central Asia. This species is a desert dweller of the Tarim Basin of southern Xinjiang, China, and exhibits some unique adaptations to the dry and extreme hot climate. We report here the assembly of a Tarim red deer genome employing a 10X Genomics library, termed CEY_v1. Our genome consisted of 2.6 Gb with contig N50 and scaffold N50 of 275.5 Kb and 31.7 Mb, respectively. Around 96% of the assembled sequences were anchored onto 34 chromosomes based on the published high-quality red deer genetic linkage map. More than 94% BUSCOs complete genes (including 90.5% single and 3.6% duplicated ones) were detected in the CEY_v1 and 20,653 genes were annotated. The CEY_v1 is expected to contribute to comparative analysis of genome biology, to evolutionary studies within Cervidae, and to facilitating investigation of mechanisms underlying adaptation of this species to the extreme dry and hot climate.
Serum adipokines/related inflammatory factors and ratios as predictors of infrapatellar fat pad volume in osteoarthritis: Applying comprehensive machine learning approaches
Authors: Bonakdari Hossein , Tardif Ginette , Abram François , Pelletier Jean-Pierre , Martel-Pelletier Johanne
Published: June 2020

Objective. The infrapatellar fat pad (IPFP) has been associated with knee osteoarthritis onset and progression. This study uses machine learning (ML) approaches to predict serum levels of some adipokines/related inflammatory factors and their ratios on knee IPFP volume of osteoarthritis patients.Methods. Serum and MRI were from the OAI at baseline. Variables comprised the 3 main osteoarthritis risk factors (age, gender, BMI), 6 adipokines, 3 inflammatory factors, and their 36 ratios. IPFP volume was assessed on MRI with a ML methodology. The best variables and models were identified in Total-cohort (n = 678), High-BMI (n = 341) and Low-BMI (n = 337), using a selection approach based on ML methods. Results. The best model for each group included three risk factors and adipsin/C-reactive protein combined for Total-cohort, adipsin/chemerin; High-BMI, chemerin/adiponectin HMW; and Low-BMI, interleukin-8. Gender separation improved the prediction (13–16%) compared to the BMI-based models. Reproducibility with osteoarthritis patients from a clinical trial was excellent (R: female 0.83, male 0.95). Pseudocodes based on gender were generated.Conclusion. This study demonstrates for the first time that the combination of the serum levels of adipokines/inflammatory factors and the three main risk factors of osteoarthritis could predict IPFP volume with high reproducibility, with the superior performance of the model accounting for gender separation.
Noncontact evaluation of full elastic constants of perovskite MAPbBr3 via Photoacoustic eigen-spectrum analysis in one test
Authors: Zhang Tao , Liu Xiao-yu , Tao Chao , Xu Xiangxing , Liu Xiao-jun
Published: June 2020

Elasticity is one basic property of hybrid organic-inorganic perovskites. It highly relates to many fundamental processes in solid physics. The investigation of elasticity is of interest not only to explore the intrinsic properties of a material, but also to improve their potential application performance. In this study, we predict photoacoustic eigen-spectrum (PAES) of single crystal. Then by solving the inverse problem of the generation of PAES, we propose a noncontact method to determine a complete set of elastic constants of single crystal in one test. Experiments confirm the proposed method accurately determines all elastic constants of MAPbBr3. Since this method is totally noncontact and does not require multiple specimens cutting along different crystal axes, it could be more competent for rare, tiny and brittle specimen, or when the specimen is immersed in turbid or opaque medium. Benefitting from these superiorities, the proposed method might be found prominent values in materials science and applications.
Semaphorin 3 C is a Novel Adipokine Representing Exercise-Induced Improvements of Metabolism in Metabolically Healthy Obese Young Males
Authors: Nam Ji Sun , Ahn Chul Woo , Park Hye Jun , Kim Yu Sik
Published: June 2020

This study investigated the endurance exercise-induced changes in lesser known adipokines (visfatin, chemerin, apelin, semaphorin 3 C) related to obesity and metabolism, and their correlations with the changes in the parameters of obesity and glucose homeostasis. Forty metabolically healthy obese young males were randomly assigned to control group (C, n = 12) or exercise group (Ex, n = 28). The subjects in Ex participated in a 8-week supervised endurance exercise training program, comprised of four sessions of treadmill running at 65–70% of VO2max per week. Serum levels of visfatin, chemerin, apelin, and semaphorin 3 C were significantly decreased in Ex. At baseline, apelin and semaphorin 3 C appeared to be correlated with obesity measures, including body mass index, % total fat and trunk fat, and waist circumference. Exercise-induced changes in these obesity measures significantly correlated with the changes in chemerin and semaphorin 3 C. Basal chemerin, apelin and semaphorin 3 C correlated with glucose homeostasis parameters, including fasting plasma glucose, fasting plasma insulin, homeostasis model assessment of insulin resistance and β-cell function, and quantitative insulin-sensitivity check index to different extents. Furthermore, the changes in apelin and semaphorin 3 C well predicted the improvements in glycemic parameters. We suggest that semaphorin 3 C is a novel adipokine involved in pathophysiology of obesity and metabolism, and that it is a biomarker representing an exercise-induced improvement in metabolically healthy obese young males.
Effects of herbicides on non-target plant species diversity and the community composition of fallow fields in northern China
Authors: Qi Yue , Li Junsheng , Guan Xiao , Yan Bing , Fu Gang , He Jing , Du Leshan , Zhao Caiyun , Zhang Dun
Published: June 2020

Despite the important ecological and agricultural production value of fallow field vegetation in agricultural landscapes, it is often affected by herbicide drift and runoff from neighboring sprayed fields. However, little is known about the impact of herbicides on the non-target plant community of fallow fields. In this study, the plant community of fallow fields was investigated following annual sublethal exposure to atrazine or tribenuron-methyl by a 3-year (2014–2016) randomized block field study. The two herbicides both changed the species composition, reduced the number of plant species and the relative frequencies of some plants, and significantly reduced the Margalef species richness index and Shannon’s diversity index of the plant community in the fallow field. The effects of the two herbicides on species number and community composition were not consistent. The effects of herbicide doses less than the recommended field application concentration (RFAC) on the plant community composition and community diversity of the fallow field were not lower than the effects of the RFAC of the herbicides. Indeed, doses less than the RFAC had an even greater impact on the community diversity than the RFAC of the herbicides. As the number of years of herbicide application increased, the effects of the herbicides on the plant community diversity did not increase compared to the effects of the blank control, and the herbicides did not change the functional composition of the plant communities in the fallow field. Our results suggest that the ecological risks of herbicides, even at low concentrations, on non-target wild plant communities in agricultural landscapes should not be neglected in the development of practical plant diversity conservation strategies.
Magnetic field assisted high capacity durable Li-ion battery using magnetic α-Fe2O3 nanoparticles decorated expired drug derived N-doped carbon anode
Authors: Ganguly Dipsikha , V.S. Ajay Piriya , Ghosh Anamika , Ramaprabhu Sundara
Published: June 2020

We have synthesized a novel ferromagnetic material by coating α-Fe2O3 nanoparticles with N-doped carbon matrix using a simple combustion method. Expired paracetamol drugs are used as nitrogen and carbon source. This α-Fe2O3/NC shows ferromagnetic property due to the incorporation of oxygen defects. When used as the Li-ion battery anode, α-Fe2O3/NC shows higher capacity compared to commercial α-Fe2O3 due to the occurrence of both intercalation and conversion reaction. Further, application of magnetic field at the anode of the freshly assembled cell at the first charge-discharge cycle, results in ~two-fold enhancement in specific capacity. For the cycled cell also, increase in the capacity from 80 mAh. g−1 to 150 mAh. g−1 at 5 A. g−1 is observed during the application of magnetic field at the 501st charging cycle. This improved performance is attributed to the field-dependent enhancement of diffusion and convection due to the magnetohydrodynamic effect. Further, application of the magnetic field at 1001st, 1501st and 1751st charging cycles shows improved LIB performance. We can show that not only the magnetic field, magnetic properties of the anode α-Fe2O3/NC also play a crucial role in influencing the battery performance. Moreover, utilization of expired drug helps in dramatically reducing pollution caused by its disposal.
Conventional MR and DW imaging findings of cerebellar primary CNS lymphoma: comparison with high-grade glioma
Authors: He Ye-Xin , Qu Chong-Xiao , He Yuan-Yan , Shao Jia , Gao Qiang
Published: June 2020

Primary central nervous system lymphomas (PCNSLs) and high-grade gliomas (HGGs) arising in the cerebellum is extremely low, making the differential diagnosis difficult or even impossible. The purpose of this study was to define the MR features of cerebellar PCNSL in immunocompetent patients, and to determine whether a combination of conventional MR and DW imaging can assist in the differentiation of PCNSLs and HGGs. Twelve PCNSLs and 15 HGGs confirmed by pathological analysis were retrospectively identified. The apparent diffusion coefficient (ADC) and conventional MRI parameters were compared for differences between PCNSL and HGG groups using the independent sample t test or chi-square test. Both ADCmin and ADCtotal values were lower in the PCNSL group than those in the HGG group (ADCmin: 0.53 × 10−3 vs. 0.83 × 10−3 mm2/sec, P < 0.001; ADCtotal: 0.66 × 10−3 vs. 0.98 × 10−3 mm2/sec, P = 0.001). As for conventional MR features, there were significant difference in the tumor size, enhancement patterns, the presence of cystic changes, edema degree and streak-like edema (all P < 0.01); but there were no significant difference in lesion type, the presence of bleeding, and involvement of brain surface between two groups (P = 0.554, 0.657 and 0.157, respectively). The results revealed that several conventional MR features, including enhancement patterns, branch-like enhancement and streak-like edema may be useful for the differentiation of PCNSL and HGG in cerebellum and, when combined with ADC values, further improve the discriminating ability.
“Yes, but will it work for my patients?” Driving clinically relevant research with benchmark datasets
Authors: Panch Trishan , Pollard Tom J. , Mattie Heather , Lindemer Emily , Keane Pearse A. , Celi Leo Anthony
Published: June 2020

Benchmark datasets have a powerful normative influence: by determining how the real world is represented in data, they define which problems will first be solved by algorithms built using the datasets and, by extension, who these algorithms will work for. It is desirable for these datasets to serve four functions: (1) enabling the creation of clinically relevant algorithms; (2) facilitating like-for-like comparison of algorithmic performance; (3) ensuring reproducibility of algorithms; (4) asserting a normative influence on the clinical domains and diversity of patients that will potentially benefit from technological advances. Without benchmark datasets that satisfy these functions, it is impossible to address two perennial concerns of clinicians experienced in computational research: “the data scientists just go where the data is rather than where the needs are,” and, “yes, but will this work for my patients?” If algorithms are to be developed and applied for the care of patients, then it is prudent for the research community to create benchmark datasets proactively, across specialties. As yet, best practice in this area has not been defined. Broadly speaking, efforts will include design of the dataset; compliance and contracting issues relating to the sharing of sensitive data; enabling access and reuse; and planning for translation of algorithms to the clinical environment. If a deliberate and systematic approach is not followed, not only will the considerable benefits of clinical algorithms fail to be realized, but the potential harms may be regressively incurred across existing gradients of social inequity.
Genomic signatures of domestication in Old World camels
Authors: Fitak Robert Rodgers , Mohandesan Elmira , Corander Jukka , Yadamsuren Adiya , Chuluunbat Battsetseg , Abdelhadi Omer , Raziq Abdul , Nagy Peter , Walzer Chris , Faye Bernard , Burger Pamela Anna
Published: June 2020

Domestication begins with the selection of animals showing less fear of humans. In most domesticates, selection signals for tameness have been superimposed by intensive breeding for economical or other desirable traits. Old World camels, conversely, have maintained high genetic variation and lack secondary bottlenecks associated with breed development. By re-sequencing multiple genomes from dromedaries, Bactrian camels, and their endangered wild relatives, here we show that positive selection for candidate genes underlying traits collectively referred to as ‘domestication syndrome’ is consistent with neural crest deficiencies and altered thyroid hormone-based signaling. Comparing our results with other domestic species, we postulate that the core set of domestication genes is considerably smaller than the pan-domestication set – and overlapping genes are likely a result of chance and redundancy. These results, along with the extensive genomic resources provided, are an important contribution to understanding the evolutionary history of camels and the genomic features of their domestication.
Direct identification of reaction sites on ferrihydrite
Authors: Boily Jean-François , Song Xiaowei
Published: June 2020

Hydroxyl groups are the cornerstone species driving catalytic reactions on mineral nanoparticles of Earth’s crust, water, and atmosphere. Here we directly identify populations of these groups on ferrihydrite, a key yet misunderstood iron oxyhydroxide nanomineral in natural sciences. This is achieved by resolving an enigmatic set of vibrational spectroscopic signatures of reactive hydroxo groups and chemisorbed water molecules embedded in specific chemical environments. We assist these findings by exploring a vast array of configurations of computer-generated nanoparticles. We find that these groups are mainly disposed along rows at edges of sheets of iron octahedra. Molecular dynamics of nanoparticles as large as 10 nm show that the most reactive surface hydroxo groups are predominantly free, yet are hydrogen bond acceptors in an intricate network formed with less reactive groups. The resolved vibrational spectroscopic signatures open new possibilities for tracking catalytic reactions on ferrihydrite, directly from the unique viewpoint of its reactive hydroxyl groups.
Metal–ligand cooperativity across two sites of a square planar iron(ii) complex ligated by a tetradentate PNNP ligand
Authors: Hatzis Gillian P. , Thomas Christine M.
Published: June 2020

A square planar (PNNP)FeII complex is shown to readily activate two B–H bonds across the Fe–amide linkages in an overall four-electron process facilitated by metal–ligand cooperativity.
Amphiphilic dendrimers control protein binding and corona formation on liposome nanocarriers
Authors: Wagner Jessica , Dillenburger Marcel , Simon Johanna , Oberländer Jennifer , Landfester Katharina , Mailänder Volker , Ng David Y. W. , Müllen Klaus , Weil Tanja
Published: June 2020

Amphiphilic polyphenylene dendrimers adsorbed to liposomes alter the protein corona dependent on their charge and hydrophobicity.
Tandem approach to NOBIN analogues from arylhydroxylamines and diaryliodonium saltsvia[3,3]-sigmatropic rearrangement
Authors: Yuan Hairui , Du Yuanbo , Liu Fengting , Guo Lirong , Sun Qianyu , Feng Lei , Gao Hongyin
Published: June 2020

Tandem approach to NOBIN analogues from arthydroxylamines and diaryliodonium saltsvia[3,3]-sigmatropic rearrangement.
Crystal structure determination of an elusive methanol solvate – hydrate of catechin using crystal structure prediction and NMR crystallography
Authors: Dudek Marta K. , Paluch Piotr , Śniechowska Justyna , Nartowski Karol P. , Day Graeme M. , Potrzebowski Marek J.
Published: June 2020

A useful short-cut was developed to limit the number of molecular conformations that need to be regarded in crystal structure prediction calculations, which led to the crystal structure determination of new methanol solvate – hydrate of catechin.
A carbon network strategy to synthesize silicon–carbon anodes toward regulated morphologies during molten salt reduction
Authors: Zhu Guanjia , Jiang Miaomiao , Ma Yuanyuan , Luo Wei , Wang Lianjun , Jiang Wan , Yang Jianping
Published: June 2020

In this work, a carbon network strategy was proposed to prepare Si/SiOx/C anodes with regulated morphologies during molten salt reduction.
Full-visible-spectrum lighting realized by a novel Eu2+-doped cyan-emitting borosilicate phosphor
Authors: Zhang Qiang , Wang Xicheng , Wang Yuhua
Published: June 2020

A novel cyan-emitting Ba3Ca4(BO3)3(SiO4)Cl:Eu2+inorganic material was developed and its potential application in full-visible-spectrum lighting was explored.
Chemical bonding in cuprous complexes with simple nitriles: octet rule and resonance conceptsversusquantitative charge-redistribution analysis
Authors: Potenti Simone , Paoloni Lorenzo , Nandi Surajit , Fusè Marco , Barone Vincenzo , Rampino Sergio
Published: June 2020

Resonance structures for six cuprous complexes with simple nitriles are interpreted by means of a quantitative analysis of charge redistribution upon copper-nitrile bonding.
Hydrogen bonding of ionic liquids in the groove region of DNA controls the extent of its stabilization: synthesis, spectroscopic and simulation studies
Authors: Sarkar Sunipa , Rajdev Priya , Singh Prashant Chandra
Published: June 2020

Hydrogen bonding of Ionic liquids with Watson–Crick base pairs plays important role in stability of DNA.
Probing sulphur clusters in a microfluidic electrochemical cell with synchrotron-based photoionization mass spectrometry
Authors: Komorek Rachel , Xu Bo , Yao Jennifer , Kostko Oleg , Ahmed Musahid , Yu Xiao-Ying
Published: June 2020

In operando synchrotron analysis captures sulphur clusters’ formation and determines their ionization energies in a low-dielectric lithium sulfide electrolyte.
Total reflection X-ray fluorescence spectrometric determination of ultra-trace uranium in natural water samples using a dispersive liquid–liquid micro-extraction method
Authors: Shukla Vikas Kumar , Dhara Sangita , Mishra N. L.
Published: June 2020

A total reflection X-ray fluorescence (TXRF) method in conjugation with dispersive liquid–liquid micro-extraction (DLLME) was developed for the determination of uranium present at ultra-trace levels in water samples.
Nitric acid effect in inductively coupled plasma mass spectrometry: new insights on possible causes and correction
Authors: Grotti Marco , Todolí José-Luis
Published: June 2020

Fundamental aspects of nitric acid effect have been revisited to provide new insights into the possible sources and its correction by internal standardization.
An integrated platform for fibrinogen quantification on a microfluidic paper-based analytical device
Authors: Guan Yanfang , Zhang Kun , Xu Fengqian , Guo Ruiyang , Fang Anshu , Sun Baichuan , Meng Xiangxin , Liu Yansheng , Bai Mingyang
Published: June 2020

Fibrinogen (FIB) plays a key role in blood coagulation and thrombosis and its concentration in blood can directly reflect health conditions, thus an efficient detection of FIB would benefit the treatments of certain diseases such as liver and heart diseases.
Cancer treatment by magneto-mechanical effect of particles, a review
Authors: Naud Cécile , Thébault Caroline , Carrière Marie , Hou Yanxia , Morel Robert , Berger François , Diény Bernard , Joisten Hélène
Published: June 2020

Cancer treatment by magneto-mechanical effect of particles (TMMEP), using low frequency magnetic stimulation, is a growing research field. This review reports the mainin vitroandin vivoresults, summarizing the various approaches and perspectives.
A P/N type silicon semiconductor loaded with silver nanoparticles used as a SERS substrate to selectively drive the coupling reaction induced by surface plasmons
Authors: Zhao Yuanchun , Zhang Qijia , Ma Liping , Song Peng , Xia Lixin
Published: June 2020

Semiconductor materials are favoured in the field of SERS catalysis due to their unique optoelectronic properties.
Facile hydrothermal synthesis of porous MgCo2O4 nanoflakes as an electrode material for high-performance asymmetric supercapacitors
Authors: Chen Huiyu , Du Xuming , Wu Runze , Wang Ya , Sun Jiale , Zhang Yanfei , Xu Chunju
Published: June 2020

A simple hydrothermal route with a post annealing treatment was used to prepare MgCo2O4 porous nanoflakes with excellent electrochemical performances.
Synthesis and characterization of nitrogen-based ionic liquids bearing allyl groups and examples of their application
Authors: Zajac Adrian , Szpecht Andrea , Szymanska Anna , Zielinski Dawid , Stolarska Olga , Smiglak Marcin , Maciejewski Hieronim
Published: June 2020

The synthesis and characterization of a series of allyl-functionalized ionic liquids and examples of their application in catalysts and surface-functionalizing compound formation.
Investigating the effects of amine-functionalized carbon balls in a polybenzoxazine matrix
Authors: Periyasamy Thirukumaran , Asrafali Shakila Parveen , Kim Seong-Cheol
Published: June 2020

This study contains arithmetical and experimental examinations of the effects of adding carbon nanoballs (CBs) on the curing behavior and material properties of a benzoxazine system.
The facile boosting sunlight-driven photocatalytic performance of a metal–organic-framework through coupling with Ag2S nanoparticles
Authors: Deng Linlin , Yin Dongguang , Khaing Kyu Kyu , Xiao Songtao , Li Luqiu , Guo Xiandi , Wang Jun , Zhang Yong
Published: June 2020

A facile method was successfully developed to tremendously boost sunlight-driven photocatalytic performance of a MOFs material (MIL-53(Fe)) by coupling with silver sulfide (Ag2S) nanoparticles for the first time.
Heteroatom-doped C3N as a promising metal-free catalyst for a high-efficiency carbon dioxide reduction reaction
Authors: Zhao Tingting , Tian Yu , Yan Likai , Su Zhongmin
Published: June 2020

Converting CO2 into useful fuels and chemicals offers a promising strategy for mitigating the issues of energy crisis and global warming.
DNA density-dependent uptake of DNA origami-based two-or three-dimensional nanostructures by immune cells
Authors: Maezawa Tatsuoki , Ohtsuki Shozo , Hidaka Kumi , Sugiyama Hiroshi , Endo Masayuki , Takahashi Yuki , Takakura Yoshinobu , Nishikawa Makiya
Published: June 2020

Using DNA nanostructures with almost identical molecular weight and structural flexibility, this work clearly showed that compactly packaged DNA nanostructures with high DNA density are suitable for the delivery to immune cells.
Tailoring morphology to control defect structures in ZnO electrodes for high-performance supercapacitor devices
Authors: Najib Sumaiyah , Bakan Feray , Abdullayeva Nazrin , Bahariqushchi Rahim , Kasap Sibel , Franzò Giorgia , Sankir Mehmet , Demirci Sankir Nurdan , Mirabella Salvo , Erdem Emre
Published: June 2020

Morphology dependent defective ZnO electrode enable to monitor the working principle of supercapacitor device from electric double layer capacitor (EDLC) to pseudo-supercapacitor.
Regio- and diastereoselective synthesis of spiropyrroloquinoxaline grafted indole heterocyclic hybrids and evaluation of their anti-Mycobacterium tuberculosis activity
Authors: Arumugam Natarajan , Almansour Abdulrahman I. , Kumar Raju Suresh , Mohammad Ali Al-Aizari Abdul Jaleel , Alaqeel Shatha Ibrahim , Kansız Sevgi , Krishna Vagolu Siva , Sriram Dharmarajan , Dege Necmi
Published: June 2020

An efficient and eco compatible approach for the regio- and stereoselective synthesis of structurally diverse novel spiropyrrolidine tethered indole hybrids in excellent yields employing a one-pot multicomponent 1,3-dipolar cycloaddition strategy.
Flexible translucent chitosan–glycerin/QD nanocomposite glue for anti-counterfeiting films with strong adhesion and stability
Authors: Chen Yanyan , Hu Qi , Wang Qiang , Yu Minghui , Gong Xiaoyu , Li Shenjie , Xiao Jin , Guo Yingjie , Chen Guangyu , Lai Xinyu
Published: June 2020

Flexible translucent anticounterfeiting QD films with strong adhesion and stability.
Thompson loop: opportunities for antitubercular drug design by targeting the weak spot in demethylmenaquinone methyltransferase protein
Authors: Adewumi Adeniyi T. , Soremekun Opeyemi S. , Ajadi Mary B. , Soliman Mahmoud E. S.
Published: June 2020

Graphical superimposed snapshots of the Thompson novel loop (yellow) ofmenGprotein: apo (A) and bound (B) systems. The loop switches between open and closed conformations; critical for therapeutic activity.
Intervention effects of lotus leaf flavonoids on gastric mucosal lesions in mice infected with Helicobacter pylori
Authors: Yi Ruokun , Wang Feng-Bo , Tan Fang , Long Xingyao , Pan Yanni , Zhao Xin
Published: June 2020

Lotus leaf flavonoids can inhibit gastric mucosal lesions caused by Helicobacter pylori in mice.
A biocompatible poly(amidoamine) (PAMAM) dendrimer octa-substituted with α-cyclodextrin towards the controlled release of doxorubicin hydrochloride from its ferrocenyl prodrug
Authors: Kasprzak Artur , Dabrowski Bartłomiej , Zuchowska Agnieszka
Published: June 2020

A controlled release of doxorubicin hydrochloride from a novel nanoconjugate comprising PAMAM dendrimer octa-substituted with α-cyclodextrin and ferrocenyl prodrug is presented.
A quick selection of natural deep eutectic solvents for the extraction of chlorogenic acid from herba artemisiae scopariae
Authors: Yue Yingying , Huang Qingwen , Fu Yan , Chang Jie
Published: June 2020

Natural deep eutectic solvents (NADES) were successfully employed as green alternatives to the traditional ones for the extraction of chlorogenic acid from herba artemisiae scopariae.
Structural correlation of a nanoparticle-embedded mesoporous CoTiO3 perovskite for an efficient electrochemical supercapacitor
Authors: Kitchamsetti Narasimharao , Choudhary Ram J. , Phase Deodatta M. , Devan Rupesh S.
Published: June 2020

Interconnecting nanoparticle embedded mesoporous CTO rods (left panel), offered a significantly larger diffusion of OH− ions deep inside the rod structure and delivered a stable electrochemical performance with a specific capacitance of 608.4 F g−1 (right panel).
Increasing the thermal conductivity of styrene butadiene rubber: insights from molecular dynamics simulation
Authors: Zhao Xiuying , Fu Bozhi , Zhang Wenfeng , Li Haoxiang , Lu Yonglai , Gao Yangyang , Zhang Liqun
Published: June 2020

It is very important to improve the thermal conductivity of styrene butadiene rubber (SBR) which can widen its application.
Phosphorus pentoxide as a cost-effective, metal-free catalyst for ring opening polymerization of ε-caprolactone
Authors: Adoumaz Ismail , Boutriouia El Hassan , Beniazza Redouane , Qayouh Hicham , El Kadib Abdelkrim , Khoukh Abdel , Save Maud , Lahcini Mohammed
Published: June 2020

The ring-opening polymerization (ROP) of ε-caprolactone (ε-CL) using phosphorus pentoxide (P2O5) as a metal-free catalyst and isopropanol (iPrOH) as initiator resulted in the preparation of poly(ε-caprolactone) with narrow weight distribution.
A continuous-flow approach for the multi-gram scale synthesis of C2-alkyl- or β-amino functionalized 1,3-dicarbonyl derivatives and ondansetron drug using 1,3-dicarbonyls
Authors: Mohanta Nirmala , Nair Krishna , Sutar Dasharath Vishambar , Gnanaprakasam Boopathy
Published: June 2020

Continuous flow application has been developed for the gram-scale synthesis of C2-alkyl- or β-amino functionalized 1,3-dicarbonyl derivatives and ondansetron drug.
Self-activated Rh–Zr mixed oxide as a nonhazardous cocatalyst for photocatalytic hydrogen evolution
Authors: Nishino Toshio , Saruyama Masaki , Li Zhanzhao , Nagatsuma Yoshie , Nakabayashi Mamiko , Shibata Naoya , Yamada Taro , Takahata Ryo , Yamazoe Seiji , Hisatomi Takashi , Domen Kazunari , Teranishi Toshiharu
Published: June 2020

An efficient, robust and environmentally friendly Rh–Zr mixed oxide formed though the activation of Rh–Cl–Zr–O solid efficiently functions as a HER cocatalyst on Al-doped SrTiO3.
The key role of R–NHC coupling (R = C, H, heteroatom) and M–NHC bond cleavage in the evolution of M/NHC complexes and formation of catalytically active species
Authors: Chernyshev Victor M. , Denisova Ekaterina A. , Eremin Dmitry B. , Ananikov Valentine P.
Published: June 2020

Main types of the M–NHC bond transformations and their impact on activity and stability of M/NHC catalytic systems are considered.
Polymer dielectrics exhibiting an anomalously improved dielectric constant simultaneously achieved high energy density and efficiency enabled by CdSe/Cd1−xZnxS quantum dots
Authors: Li Li , Cheng Jingsai , Cheng Yunyun , Han Ting , Liang Xiao , Zhao Yan , Zhao Guanghui , Dong Lijie
Published: June 2020

Significantly improved energy density and efficiency are achieved by doping CdSe/Cd1−xZnxS quantum dots into polymers.
Enriched pseudocapacitive lithium storage in electrochemically activated carbonaceous vanadium(iv, v) oxide hydrate
Authors: Fernando Joseph F. S. , Siriwardena Dumindu P. , Firestein Konstantin L. , Zhang Chao , von Treifeldt Joel E. , Lewis Courtney-Elyce M. , Wang Tony , Dubal Deepak P. , Golberg Dmitri V.
Published: June 2020

Vanadium(iii) oxide (V2O3) derived, carbon integrated hydrated vanadium oxide (V5O12·0.4H2O) as an extrinsic pseudocapacitive material for excellent lithium storage in lithium ion battery anodes.
Energy-saving and long-life electrochromic materials of naphthalene diimide-cored pyridinium salts
Authors: Li Feng , Huang Zhen-jie , Zhou Qian-hua , Pan Ming-yue , Tang Qian , Gong Cheng-bin
Published: June 2020

Energy-saving and long-life electrochromic materials of naphthalene diimide-cored pyridinium salts were developed.
Ultra-high resolution position sensors with self-assembled nanowire arrays
Authors: Chen Runze , Liu Chuan , Asare-Yeboah Kyeiwaa , Zhang Ziyang , He Zhengran , Liu Yun
Published: June 2020

High-resolution position sensor with integrating self-assembled, half-dimensional zinc oxide nanowires as nanopixels.
Amplitude and phase estimations of power system harmonics using deep learning framework
Authors: Severoglu Nagihan , Salor Ozgul
Published: June 2020

In this study, a new method for the analysis of harmonic components in the power system based on a deep learning (DL) framework is introduced. In the proposed method, both amplitudes and phases of the harmonic components can be estimated accurately, unlike most of the research work in the literature, which usually focus on estimating amplitudes only. A convolutional neural network (CNN) structure is used to estimate the phases and amplitudes of harmonics, although CNN is usually used for classification. It has been shown that the proposed DL‐based method can satisfactorily estimate both amplitudes and phases of the power system harmonics inside a 20‐ms window and this makes the proposed method suitable for possible real‐time applications, such as active power filtering of the harmonics. It has also been shown that the proposed method is robust to fundamental frequency changes. Experiments on carefully‐generated data sets to reflect the power system behaviour show that the proposed method demonstrates remarkably good performance in terms of estimation accuracy, especially for time‐varying frequency cases. Average error for the amplitude estimation is obtained as 0.21% and that for the phase is 9°, which outperforms the other compared analyses methods in cases of fundamental frequency variations.
Optical counterpart to Swift J0243.6+6124
Authors: Reig P. , Fabregat J. , Alfonso-Garzón J.
Published: June 2020

Context.Swift J0243.6+6124 is a unique system. It is the first and only ultra-luminous X-ray source in our Galaxy. It is the first and only high-mass Be X-ray pulsar showing radio jet emission. It was discovered during a giant X-ray outburst in October 2017. While there are numerous studies in the X-ray band, very little is known about the optical counterpart.

Aims.Our aim is to characterize the variability timescales in the optical and infrared bands in order to understand the nature of this intriguing system.

Methods.We performed optical spectroscopic observations to determine the spectral type. Long-term photometric light curves together with the equivalent width of the Hαline were used to monitor the state of the circumstellar disk. We usedBVRIphotometry to estimate the interstellar absorption and distance to the source. Continuous photometric monitoring in theBandVbands allowed us to search for intra-night variability.

Results.The optical counterpart to Swift J0243.6+6124 is aV = 12.9, O9.5Ve star, located at a distance of ∼5 kpc. The optical extinction in the direction of the source isAV = 3.6 mag. The rotational velocity of the O-type star is 210 km s−1. The long-term optical variability agrees with the growth and subsequent dissipation of the Be circumstellar disk after the giant X-ray outburst. The optical and X-ray luminosity are strongly correlated during the outburst, suggesting a common origin. We did not detect short-term periodic variability that could be associated with nonradial pulsations from the Be star photosphere.

Conclusions.The long-term optical and infrared pattern of variability of Swift J0243.6+6124 is typical of Be/X-ray binaries. However, the absence of nonradial pulsations is unusual and adds another peculiar trait to this unique source.
Generation of uncertainty envelopes for thin acoustic screens with uncertain parameters
Authors: Gaborit Mathieu , Dazel Olivier , Göransson Peter , Jaouen Luc
Published: June 2020

The properties of the materials used for building sound proofing systems are known to exhibit large variations. These may lead to significant differences in the acoustic responses within a given material batch, particularly when resistive screens are used as a surface component for a multi-layered absorbing panel. In such thin films, it is mostly the thickness and the flow resistivity, but in some cases also the porosity, that are difficult to control in the production process. All these potential variations influence the acoustic response of the complete panel. In the present contribution, a method to isolate and evaluate the effect of uncertainties in a film is proposed. Using a transmission line approach, it is shown to be possible to predict the modification of the response induced by the uncertainties. The proposed technique is then adapted to determine uncertainty envelopes of the absorption coefficient, for experimentally acquired responses, that are closer to measured envelopes as compared to those generated using Monte Carlo simulations or simplified approaches. The method is tested both on numerical and experimental cases and shows, in both cases, a very good agreement with the reference solutions. Unlike Monte Carlo approaches, the proposed method does not require a massive computational effort which makes it suitable for real life applications.
La production des aciers inoxydables: Histoire de son développement et des procédés de fabrication. Partie III. Évolutions des méthodes de coulée et de mise en forme des aciers inoxydables
Authors: Saleil Jean , Mantel Marc , Le Coze Jean
Published: June 2020

La coulée des aciers inoxydables, autrefois en lingots, s’effectue aujourd’hui par coulée continue. Ce mode de coulée a permis une considérable simplification de la gamme de fabrication (suppression du dégrossissage au blooming). La généralisation de la coulée continue aux aciers inoxydables fut assez tardive car il fallait satisfaire à deux impératifs qualitatifs essentiels : l’état de surface et la propreté inclusionnaire du métal déjà largement pris en compte par les affinages AOD et VOD. La complexité de la séquence de solidification des aciers inoxydables, notamment celle des aciers austénitiques, a aussi pesé sur le choix du mode de coulée. Le choix des outils de la filière coulée continue/mise en forme à chaud, pour les produits plats, est largement conditionné par le volume de production et par la proximité d’un train à bandes. Le laminoir Steckel a eu son utilité pour des productions de faibles volumes. Aujourd’hui les grandes usines en produits plats en aciers inoxydables ont des capacités suffisamment importantes pour leur dédier un train à bande (TAB) ; d’autres utilisent, en association, un train à bande pour aciers au carbone. La résolution des problèmes particuliers posés par la mise en forme à chaud des aciers inoxydables, notamment ceux liés au trou de ductilité à chaud des austénites, est décrite. Les cas particuliers de la mise en forme à chaud des tubes, des produits forgés sont évoqués. Les questions concernant la mise en forme à froid : laminage, emboutissage, écrouissage… sont abordées.
Contact rate epidemic control of COVID-19: an equilibrium view
Authors: Elie Romuald , Hubert Emma , Turinici Gabriel
Published: June 2020

We consider the control of the COVID-19 pandemic through a standard SIR compartmental model. This control is induced by the aggregation of individuals’ decisions to limit their social interactions: when the epidemic is ongoing, an individual can diminish his/her contact rate in order to avoid getting infected, but this effort comes at a social cost. If each individual lowers his/her contact rate, the epidemic vanishes faster, but the effort cost may be high. A Mean Field Nash equilibrium at the population level is formed, resulting in a lower effective transmission rate of the virus. We prove theoretically that equilibrium exists and compute it numerically. However, this equilibrium selects a sub-optimal solution in comparison to the societal optimum (a centralized decision respected fully by all individuals), meaning that the cost of anarchy is strictly positive. We provide numerical examples and a sensitivity analysis, as well as an extension to a SEIR compartmental model to account for the relatively long latent phase of the COVID-19 disease. In all the scenario considered, the divergence between the individual and societal strategies happens both before the peak of the epidemic, due to individuals’ fears, and after, when a significant propagation is still underway.