bluuebunny/crossref_metadata_2025 huggingface dataset:
High-efficiency super-elastic liquid metal based triboelectric fibers and textiles
Authors: Dong Chaoqun , Leber Andreas , Das Gupta Tapajyoti , Chandran Rajasundar , Volpi Marco , Qu Yunpeng , Nguyen-Dang Tung , Bartolomei Nicola , Yan Wei , Sorin Fabien
Published: July 2020

Fibers that harvest mechanical energy via the triboelectric effect are excellent candidates as power sources for wearable electronics and functional textiles. Thus far however, their fabrication remains complex, and exhibited performances are below the state-of-the-art of 2D planar configurations, making them impractical. Here, we demonstrate the scalable fabrication of micro-structured stretchable triboelectric fibers with efficiencies on par with planar systems. We use the thermal drawing process to fabricate advanced elastomer fibers that combine a micro-textured surface with the integration of several liquid metal electrodes. Such fibers exhibit high electrical outputs regardless of repeated large deformations, and can sustain strains up to 560%. They can also be woven into deformable machine-washable textiles with high electrical outputs up to 490 V, 175 nC. In addition to energy harvesting, we demonstrate self-powered breathing monitoring and gesture sensing capabilities, making this triboelectric fiber platform an exciting avenue for multi-functional wearable systems and smart textiles.
Asymmetric total synthesis of yuzurimine-type Daphniphyllum alkaloid (+)-caldaphnidine J
Authors: Guo Lian-Dong , Zhang Yan , Hu Jingping , Ning Chengqing , Fu Heyifei , Chen Yuye , Xu Jing
Published: July 2020

Ever since Hirata’s report of yuzurimine in 1966, nearly fifty yuzurimine-type alkaloids have been isolated, which formed the largest subfamily of the Daphniphyllum alkaloids. Despite extensive synthetic studies towards this synthetically challenging and biologically intriguing family, no total synthesis of any yuzurimine-type alkaloids has been achieved to date. Here, the first enantioselective total synthesis of (+)-caldaphnidine J, a highly complex yuzurimine-type Daphniphyllum alkaloid, is described. Key transformations of this approach include a highly regioselective Pd-catalyzed hydroformylation, a samarium(II)-mediated pinacol coupling, and a one-pot Swern oxidation/ketene dithioacetal Prins reaction. Our approach paves the way for the synthesis of other yuzurimine-type alkaloids and related natural products.
Force generation by a propagating wave of supramolecular nanofibers
Authors: Kubota Ryou , Makuta Masahiro , Suzuki Ryo , Ichikawa Masatoshi , Tanaka Motomu , Hamachi Itaru
Published: July 2020

Dynamic spatiotemporal patterns that arise from out-of-equilibrium biochemical reactions generate forces in living cells. Despite considerable recent efforts, rational design of spatiotemporal patterns in artificial molecular systems remains at an early stage of development. Here, we describe force generation by a propagating wave of supramolecular nanofibers. Inspired by actin dynamics, a reaction network is designed to control the formation and degradation of nanofibers by two chemically orthogonal stimuli. Real-time fluorescent imaging successfully visualizes the propagating wave based on spatiotemporally coupled generation and collapse of nanofibers. Numerical simulation indicates that the concentration gradient of degradation stimulus and the smaller diffusion coefficient of the nanofiber are critical for wave emergence. Moreover, the force (0.005 pN) generated by chemophoresis and/or depletion force of this propagating wave can move nanobeads along the wave direction.
Author Correction: Single cell transcriptomics identifies stem cell-derived graft composition in a model of Parkinson’s disease
Authors: Tiklová Katarína , Nolbrant Sara , Fiorenzano Alessandro , Björklund Åsa K. , Sharma Yogita , Heuer Andreas , Gillberg Linda , Hoban Deirdre B. , Cardoso Tiago , Adler Andrew F. , Birtele Marcella , Lundén-Miguel Hilda , Volakakis Nikolaos , Kirkeby Agnete , Perlmann Thomas , Parmar Malin
Published: July 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Autonomic function in amnestic and non-amnestic mild cognitive impairment: spectral heart rate variability analysis provides evidence for a brain–heart axis
Authors: Nicolini Paola , Mari Daniela , Abbate Carlo , Inglese Silvia , Bertagnoli Laura , Tomasini Emanuele , Rossi Paolo D. , Lombardi Federico
Published: July 2020

Mild cognitive impairment (MCI) is a heterogeneous syndrome with two main clinical subtypes, amnestic (aMCI) and non-amnestic (naMCI). The analysis of heart rate variability (HRV) is a tool to assess autonomic function. Cognitive and autonomic processes are linked via the central autonomic network. Autonomic dysfunction entails several adverse outcomes. However, very few studies have investigated autonomic function in MCI and none have considered MCI subtypes or the relationship of HRV indices with different cognitive domains and structural brain damage. We assessed autonomic function during an active orthostatic challenge in 253 oupatients aged ≥ 65, [n = 82 aMCI,n = 93 naMCI,n = 78 cognitively normal (CN), neuropsychologically tested] with power spectral analysis of HRV. We used visual rating scales to grade cerebrovascular burden and hippocampal/insular atrophy (HA/IA) on neuroimaging. Only aMCI showed a blunted response to orthostasis. Postural changes in normalised low frequency (LF) power and in the LF to high frequency ratio correlated with a memory test (positively) and HA/IA (negatively) in aMCI, and with attention/executive function tests (negatively) and cerebrovascular burden (positively) in naMCI. These results substantiate the view that the ANS is differentially impaired in aMCI and naMCI, consistently with the neuroanatomic substrate of Alzheimer's and small-vessel subcortical ischaemic disease.
Melting properties by X-ray absorption spectroscopy: common signatures in binary Fe–C, Fe–O, Fe–S and Fe–Si systems
Authors: Boccato Silvia , Torchio Raffaella , Anzellini Simone , Boulard Eglantine , Guyot François , Irifune Tetsuo , Harmand Marion , Kantor Innokenty , Miozzi Francesca , Parisiades Paraskevas , Rosa Angelika D. , Antonangeli Daniele , Morard Guillaume
Published: July 2020

X-ray absorption spectroscopy (XAS) is a widely used technique to probe the local environment around specific atomic species. Applied to samples under extreme pressure and temperature conditions, XAS is sensitive to phase transitions, including melting, and allows gathering insights on compositional variations and electronic changes occurring during such transitions. These characteristics can be exploited for studies of prime interest in geophysics and fundamental high-pressure physics. Here, we investigated the melting curve and the eutectic composition of four geophysically relevant iron binary systems: Fe–C, Fe–O, Fe–S and Fe–Si. Our results show that all these systems present the same spectroscopic signatures upon melting, common to those observed for other pure late 3d transition metals. The presented melting criterion seems to be general for late 3d metals bearing systems. Additionally, we demonstrate the suitability of XAS to extract melt compositional information in situ, such as the evolution of the concentration of light elements with increasing temperature. Diagnostics presented in this work can be applied to studies over an even larger pressure range exploiting the upgraded synchrotron machines, and directly transferred to time-resolved extreme condition studies using dynamic compression (ns) or fast laser heating (ms).
New group of transmembrane proteins associated with desiccation tolerance in the anhydrobiotic midge Polypedilum vanderplanki
Authors: Voronina Taisiya A. , Nesmelov Alexander A. , Kondratyeva Sabina A. , Deviatiiarov Ruslan M. , Miyata Yugo , Tokumoto Shoko , Cornette Richard , Gusev Oleg A. , Kikawada Takahiro , Shagimardanova Elena I.
Published: July 2020

Larvae of the sleeping chironomid Polypedilum vanderplanki are known for their extraordinary ability to survive complete desiccation in an ametabolic state called “anhydrobiosis”. The unique feature of P. vanderplanki genome is the presence of expanded gene clusters associated with anhydrobiosis. While several such clusters represent orthologues of known genes, there is a distinct set of genes unique for P. vanderplanki. These include Lea-Island-Located (LIL) genes with no known orthologues except two of LEA genes of P. vanderplanki, PvLea1 and PvLea3. However, PvLIL proteins lack typical features of LEA such as the state of intrinsic disorder, hydrophilicity and characteristic LEA_4 motif. They possess four to five transmembrane domains each and we confirmed membrane targeting for three PvLILs. Conserved amino acids in PvLIL are located in transmembrane domains or nearby. PvLEA1 and PvLEA3 proteins are chimeras combining LEA-like parts and transmembrane domains, shared with PvLIL proteins. We have found that PvLil genes are highly upregulated during anhydrobiosis induction both in larvae of P. vanderplanki and P. vanderplanki-derived cultured cell line, Pv11. Thus, PvLil are a new intriguing group of genes that are likely to be associated with anhydrobiosis due to their common origin with some LEA genes and their induction during anhydrobiosis.
Therapeutic targeting of 15-PGDH in murine pulmonary fibrosis
Authors: Smith Julianne N. P. , Witkin Matthew D. , Jogasuria Alvin P. , Christo Kelsey F. , Raffay Thomas M. , Markowitz Sanford D. , Desai Amar B.
Published: July 2020

Idiopathic pulmonary fibrosis (IPF) is a progressive disease characterized by interstitial remodeling and pulmonary dysfunction. The etiology of IPF is not completely understood but involves pathologic inflammation and subsequent failure to resolve fibrosis in response to epithelial injury. Treatments for IPF are limited to anti-inflammatory and immunomodulatory agents, which are only partially effective. Prostaglandin E2 (PGE2) disrupts TGFβ signaling and suppresses myofibroblast differentiation, however practical strategies to raise tissue PGE2 during IPF have been limited. We previously described the discovery of a small molecule, (+)SW033291, that binds with high affinity to the PGE2-degrading enzyme 15-hydroxyprostaglandin dehydrogenase (15-PGDH) and increases PGE2 levels. Here we evaluated pulmonary 15-PGDH expression and activity and tested whether pharmacologic 15-PGDH inhibition (PGDHi) is protective in a mouse model of bleomycin-induced pulmonary fibrosis (PF). Long-term PGDHi was well-tolerated, reduced the severity of pulmonary fibrotic lesions and extracellular matrix remodeling, and improved pulmonary function in bleomycin-treated mice. Moreover, PGDHi attenuated both acute inflammation and weight loss, and decreased mortality. Endothelial cells and macrophages are likely targets as these cell types highly expressed 15-PGDH. In conclusion, PGDHi ameliorates inflammatory pathology and fibrosis in murine PF, and may have clinical utility to treat human disease.
Author Correction: Hidden mycota of pine needles: Molecular signatures from PCR-DGGE and Ribosomal DNA phylogenetic characterization of novel phylotypes
Authors: Jeewon Rajesh , Yeung Quin S. Y. , Wannasinghe Dhanushka N. , Rampadarath Sillma , Puchooa Daneshwar , Wang Hong-Kai , Hyde Kevin D.
Published: July 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Author Correction: 50 Years of Cetacean Strandings Reveal a Concerning Rise in Chilean Patagonia
Authors: Alvarado-Rybak Mario , Toro Frederick , Escobar-Dodero Joaquín , Kinsley Amy C. , Sepúlveda Maximiliano A. , Capella Juan , Azat Claudio , Cortés-Hinojosa Galaxia , Zimin-Veselkoff Natalia , Mardones Fernando O.
Published: July 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Photocatalytic hydrogen generation of monolithic porous titanium oxide-based glass–ceramics
Authors: Masai Hirokazu , Sakurai Hiroaki , Koreeda Akitoshi , Fujii Yasuhiro , Ohkubo Takahiro , Miyazaki Takamichi , Akai Tomoko
Published: July 2020

A large relative surface area is crucial for high catalytic activity. Monolithic catalysts are important catalytic materials because of minimal self-degradation. Regarding large surface area catalysts, the glass–ceramics (GCs) with high formability, obtained by heat-treatment of the precursor glass, are plausible candidates. This study examines the photocatalytic behaviour of porous GCs obtained after acid leaching of MgO–TiO2–P2O5 GCs. After heat-treatment, anatase TiO2 was precipitated along with other phases. The diffraction intensity ratio between anatase and other phases was the maximum for a heat-treatment temperature of 900 °C. After acid leaching of the GCs, the relative surface area decreased with increasing TiO2 fraction; the surface area was also affected by the sample morphology. H2 generation was observed from porous GCs, while GCs without etching exhibited approximately zero activity. Thus, it was demonstrated that high surface area and prevention of the reduction reaction to Ti(III) are important for tailoring monolithic photocatalytic materials.
Development of magnetic bead based sample extraction coupled polymerase spiral reaction for rapid on-site detection of Chikungunya virus
Authors: Sharma Shashi , Pardasani Deepak , Dash Paban Kumar , Parida Manmohan , Dubey Devendra Kumar
Published: July 2020

The molecular detection system has evolved over last two decades and is rapidly replacing the conventional confirmatory techniques in diagnostic virology. However the major limitation in implementation of available molecular detection assays is the non availability of field deployable nucleic acid isolation platform coupled with gene amplification technique. The rapid and early molecular detection is crucial for employing effective measure against many viral infections. The re-emergence of chikungunya virus (CHIKV) has led to epidemics since 2004 in several parts of the world including India. The main association of CHIKV with severe arthritis and long-lasting arthralgia and closely mimics symptoms of Dengue and Zika virus infection requiring laboratory confirmation. In this study, a simple magnetic bead based ribonucleic acid extraction method was optimized, which was coupled with isothermal polymerase spiral reaction (PSR) technique for early and rapid detection. Subsequently, the polymerase spiral reaction reagents were converted to dry down format that led to a rapid user friendly field compatible sample processing to answer method for rapid and onsite detection of Chikungunya virus. Both the methods were evaluated with a panel of clinical samples. The sensitivity of the assays were compared with available commercial viral RNA extraction platform and qRT-PCR. The in-house nucleic acid extraction system based on magnetic bead followed by dry down RT-Polymerase Spiral Reaction assay was found to be highly sensitive with 10 copies of RNA as limit of detection in CHIKV clinical specimens. With respect to other closely related viruses no cross reactivity was observed. This novel methodology has the potential to revolutionize the diagnosis of infectious agents in resource limited settings around the world.
Impact of climate, rising atmospheric carbon dioxide, and other environmental factors on water-use efficiency at multiple land cover types
Authors: Umair Muhammad , Kim Daeun , Choi Minha
Published: July 2020

Rising atmospheric CO2, changing climate, and other environmental factors such as nitrogen deposition and aerosol concentration influence carbon and water fluxes significantly. Water-use efficiency (WUE) was used to analyze these factors over 3 decades (1981–2010) using the Community Land Model 5.0 (CLM5.0). The study analyzes the effects of climate and other environmental factors on multiple land cover types (forest, grassland, and cropland) with divided study periods (1981–2000 and 2001–2010). Ecosystem WUE (EWUE) and transpiration WUE (TWUE) increased at the forest site due to the CO2fertilization effect but decreased at the grassland and cropland sites due to lower gross primary production and higher/lower (cropland/grassland) evapotranspiration as consequences of rising temperature and water availability. Inherent WUE confirmed that EWUE and TWUE trends were controlled by the rising temperature and CO2-induced warming through an increase in vapor pressure deficit. In this way, forest and cropland sites showed warming patterns, while the grassland site showed a drier climate. The later period (2001–2010) showed steeper trends in WUE compared with the earlier period at all sites, implying a change in climate. The results showed implications for rising temperature due to increased CO2concentration at multiple land cover types.
Foliar application of specific yeast derivative enhances anthocyanins accumulation and gene expression in Sangiovese cv (Vitis vinifera L.)
Authors: Pastore C. , Allegro G. , Valentini G. , Pizziolo A. , Battista F. , Spinelli F. , Filippetti I.
Published: July 2020

The effect of elicitors on secondary metabolism in vines is receiving much interest, since it has been shown that they are able to increase the accumulation of phenolics, especially anthocyanins. This research aims to investigate the biochemical and molecular effects of the application of a commercial yeast derivative (Saccharomyces cerevisiae) on the accumulation of anthocyanins in potted Sangiovese vines. Experiments were performed on three consecutive years and the yeast derivative was applied at the beginning and at the end of veraison. Technological ripening, accumulation of anthocyanins and expression of the main genes involved in their biosynthesis were assessed. Technological ripening proceeded in a similar way in both treated and untreated berries in the three years. A significant increase in the concentration of anthocyanins was instead detected, following the induction by the yeast derivative of the expression of the genes involved in their biosynthesis. The research highlights the possibility of applying a specific inactivated yeast to increase the anthocyanin concentration even under the current climate change conditions, in Sangiovese, a cultivar extremely sensitive to high temperatures.
Postoperative statin treatment may be associated with improved mortality in patients with myocardial injury after noncardiac surgery
Authors: Park Jungchan , Kim Jihoon , Lee Seung-Hwa , Lee Jong Hwan , Min Jeong Jin , Kwon Ji-hye , Oh Ah Ran , Seo Wonho , Hyeon Cheol Won , Yang Kwangmo , Choi Jin-ho , Lee Sang-Chol , Kim Kyunga , Ahn Joonghyun , Gwon Hyeon‐Cheol
Published: July 2020

Myocardial injury after noncardiac surgery (MINS) is recently accepted as a strong predictor of mortality, regardless of symptoms. However, anticoagulation is the only established treatment. This study aimed to evaluate the association between statin treatment and mortality after MINS. From January 2010 to June 2019, a total of 5,267 adult patients who were discharged after the occurrence of MINS were enrolled. The patients were divided into two groups according to statin prescription at discharge. The outcomes were 1-year and overall mortalities. Of the total 5,109 patients, 1,331 (26.1%) patients were in the statin group and 3,778 (73.9%) patients were in the no statin group. The 1-year and overall mortalities were significantly lower in the statin group compared with the no statin group (6.1% vs. 13.3%; hazard ratio [HR], 0.55; 95% confidence interval [CI], 0.41–0.74; p < 0.001 for 1-year mortality and 15.0% vs. 25.0%; HR, 0.62; 95% CI, 0.51–0.76; p < 0.001 for overall mortality). Analyses after inverse probability treatment weighting showed similar results (HR, 0.61; 95% CI, 0.50–0.74; p < 0.001 for 1-year mortality and HR, 0.70; 95% CI, 0.54–0.90; p = 0.006 for overall mortality), and the mortalities did not differ according to the dose of statin. Our results suggest that statin treatment may be associated with improved survival after MINS. A trial is needed to confirm this finding and establish causality.
Shared functional neural substrates in Parkinson's disease and drug-induced parkinsonism: association with dopaminergic depletion
Authors: Oh Se Won , Shin Na-Young , Yoon Uicheul , Sin Intae , Lee Seung-Koo
Published: July 2020

While drug-induced parkinsonism (DIP) is mainly caused by blockage of the dopaminergic pathway, multiple neurotransmitter systems besides the dopaminergic system are involved in Parkinson’s disease (PD). Therefore, alterations found in both DIP and PD might be manifestations of dopaminergic dysfunction. To prove this hypothesis, we aimed to define the areas commonly involved in DIP and PD and determine whether the overlapping areas were associated with the dopaminergic system. 68 PD patients, 69 DIP patients and 70 age-and sex-matched controls underwent resting-state functional MRI (rsfMRI). Regional homogeneity (ReHo), amplitude of low-frequency fluctuation (ALFF) and fractional ALFF were calculated and compared. Afterwards, we compared mean rsfMRI values extracted from the overlapping areas with uptake quantitatively measured on dopamine transporter (DAT) images and neuropsychological test results. Compared to the controls, both PD and DIP patients revealed altered rsfMRI values in the right insular cortex, right temporo-occipital cortex, and cerebellum. Among them, decreased ALFF in the right insular cortex and decreased ReHo in the right occipital cortex were correlated with decreased DAT uptake in the caudate as well as executive, visuospatial, and language function. Increased ReHo in the cerebellum was also correlated with decrease DAT uptake in the posterior and ventral anterior putamen, but not with cognitive function. In conclusion, the insular cortex, occipital cortex, and cerebellum were commonly affected in both PD and DIP patients and might be associated with altered dopaminergic modulation.
Expression and function of an Hac1-regulated multi-copy xylanase gene in Saccharomyces cerevisiae
Authors: Bao Changjie , Li Jiping , Chen Huan , Sun Yang , Wang Gang , Chen Guang , Zhang Sitong
Published: July 2020

Saccharomyces cerevisiae-based expression systems, which rely on safe, food-grade strains, are low cost, simple to operate, and can be used for large-scale fermentation. However, low levels of foreign protein expression by S. cerevisiae have limited their widespread application. The ability of the endoplasmic reticulum (ER) to fold and process foreign proteins is an important factor restricting the expression of foreign proteins. In the current study, the effects of transcription factor Hac1p, which is involved in the unfolded protein response pathway, on S. cerevisiae-based expression of xylanase gene xynB from Aspergillus niger were examined. Overlap extension polymerase chain reaction (PCR), rDNA integration and droplet digital PCR technology were used to generate a S. cerevisiae strain (S8) containing eight copies of xynB, allowing high-yield secretory expression of xylanase. The effects of subsequent overexpression of HAC1 in strain S8 on the expression of genes associated with protein folding in the ER were then examined using the GeXP system. Results confirmed the constitutive secretory expression of the multiple copies of xynB following rDNA-based integration of the expression cassette, with a maximum xylanase yield of 325 U/mL. However, overexpression of HAC1 further improved xylanase production by strain S8, resulting in a yield of 381 U/mL.
Piperine suppresses the Wnt/β-catenin pathway and has anti-cancer effects on colorectal cancer cells
Authors: de Almeida Gracielle C. , Oliveira Luiz F. S. , Predes Danilo , Fokoue Harold H. , Kuster Ricardo M. , Oliveira Felipe L. , Mendes Fabio A. , Abreu Jose G.
Published: July 2020

More than 94% of colorectal cancer cases have mutations in one or more Wnt/β-catenin signaling pathway components. Inactivating mutations in APC or activating mutations in β-catenin (CTNNB1) lead to signaling overactivation and subsequent intestinal hyperplasia. Numerous classes of medicines derived from synthetic or natural small molecules, including alkaloids, have benefited the treatment of different diseases, including cancer, Piperine is a true alkaloid, derived from lysine, responsible for the spicy taste of black pepper (Piper nigrum) and long pepper (Piper longum). Studies have shown that piperine has a wide range of pharmacological properties; however, piperine molecular mechanisms of action are still not fully understood. By using Wnt/β-catenin pathway epistasis experiment we show that piperine inhibits the canonical Wnt pathway induced by overexpression of β-catenin, β-catenin S33A or dnTCF4 VP16, while also suppressing β-catenin nuclear localization in HCT116 cell line. Additionally, piperine impairs cell proliferation and migration in HCT116, SW480 and DLD-1 colorectal tumor cell lines, while not affecting the non-tumoral cell line IEC-6. In summary, piperine inhibits the canonical Wnt signaling pathway and displays anti-cancer effects on colorectal cancer cell lines.
Automated pencil electrode formation platform to realize uniform and reproducible graphite electrodes on paper for microfluidic fuel cells
Authors: Rao Lanka Tata , Rewatkar Prakash , Dubey Satish Kumar , Javed Arshad , Goel Sanket
Published: July 2020

Graphite pencil stroked electrodes for paper-based Microfluidic devices are gaining immense attention due to their electrochemical properties, cost efficiency, and ease-of-use. However, their widespread use has been hindered by the challenges associated with their manual fabrication such as non-uniformity in graphite deposition, applied pressure, etc. This work presents the design and development of an automated graphite pencil stroking device for graphite electrode fabrication with high efficiency through a compact, inexpensive and automatic process, with reduced fabrication time and human intervention leading to more uniformity. The motion platform of Graphtec plotter was used to create multiple strokes with the help of the proposed device. Such inexpensive graphite electrodes (less than the US $1) have been observed to be porous in nature, acting as diffusion agents. The automated graphite electrodes were used to study the performance of microfluidic paper fuel cells (MPFCs) with formic acid, oxygen, and sulphuric acid acting as fuel, oxidising agent and electrolyte respectively. From this configuration, the maximum current density and power density were measured to be 1,305.5 µA cm−2 and 135.5 µW cm−2, respectively at 0.3 V stable OCP at 100 strokes. Overall, the study enumerates the development of an automated pencil stroke device for fabricating graphite electrodes, which can potentially be harnessed in numerous miniaturized paper based applications.
Upper-limb kinematics and kinetics imbalances in the determinants of front-crawl swimming at maximal speed in young international level swimmers
Authors: Morais Jorge E. , Forte Pedro , Nevill Alan M. , Barbosa Tiago M. , Marinho Daniel A.
Published: July 2020

Short-distance swimmers may exhibit imbalances in their upper-limbs’ thrust (differences between the thrust produced by each upper-limb). At maximal speed, higher imbalances are related to poorer performances. Additionally, little is known about the relationship between thrust and swim speed, and whether hypothetical imbalances exist in the speed achieved while performing each upper-limb arm-pull. This could be a major issue at least while swimming at maximal speed. This study aimed to: (1) verify a hypothetical inter-upper limb difference in the determinants related to front-crawl at maximal swim speed, and; (2) identify the main predictors responsible for the swim speed achieved during each upper-limb arm-pull. Twenty-two male swimmers of a national junior swim team (15.92 ± 0.75 years) were recruited. A set of anthropometric, dry-land strength, thrust and speed variables were assessed. Anthropometrics identified a significant difference between dominant and non-dominant upper-limbs (except for the hand surface area). Dry-land strength presented non-significant difference (p < 0.05) between the dominant and non-dominant upper-limbs. Overall, thrust and speed variables revealed a significant difference (p < 0.05) between dominant and non-dominant upper-limbs over a 25 m time-trial in a short-course pool. Swimmers were not prone to maintaining the thrust and speed along the trial where a significant variation was noted (p < 0.05). Using multilevel regression, the speed achieved by each upper-limb identified a set of variables, with the peak speed being the strongest predictor (dominant: estimate = 0.522, p < 0.001; non-dominant: estimate = 0.756, p < 0.001). Overall, swimmers exhibit significant differences between upper-limbs determinants. The upper-limb noting a higher dry-land strength also presented a higher thrust, and consequently higher speed. Coaches should be aware that sprint swimmers produce significant differences in the speed achieved by each one of their upper-limbs arm-pull.
Peroxisome proliferator-activated receptor alpha is involved in the temperature-induced sex differentiation of a vertebrate
Authors: Hara Seiji , Furukawa Fumiya , Mukai Koki , Yazawa Takashi , Kitano Takeshi
Published: July 2020

Medaka (Oryzias latipes) is a teleost fish with an XX/XY sex determination system, similar to that of mammals. However, under high temperature conditions, XX medaka is masculinised by elevation of cortisol, the major teleost glucocorticoid. In this study, to identify novel factors in the gonads acting downstream from cortisol during sexual differentiation, we performed RNA sequencing (RNA-seq) analysis using the gonadal regions of larvae reared at normal temperature with and without cortisol, and at high temperature. The RNA-seq and real-time PCR analyses showed that expression of some peroxisome proliferator-activated receptor α (PPARα) signalling-targeted genes was increased by cortisol. PPARα agonist treatment induced masculinisation of XX medaka in some cases, and co-treatment of the agonist with cortisol further induced masculinisation, whereas treatment of pparaa knockout medaka with cortisol or the agonist did not induce masculinisation. This study provides the first evidence that PPARα is involved in environmental sex determination in vertebrates.
Constraining Chemical Networks in Astrochemistry
Authors: Viti Serena , Holdship Jonathan
Published: July 2020

Databases of gas and surface chemical reactions are a key tool for scientists working in a wide range of physical sciences. In Astrochemistry, databases of chemical reactions are used as inputs to chemical models to determine the abundances of the interstellar medium. Gas chemistry and, in particular, grain surface chemistry and its treatment in gas–grain chemical models are, however, areas of large uncertainty. Many reactions – especially on the dust grains – have not been systematically and experimentally studied. Moreover, experimental measurements are often not easily translated to the rate equation approach that is most commonly used in astrochemical modelling. Reducing the degree of uncertainty intrinsic in these databases is, therefore, a prime problem, but it has so far been approached mainly by ad hoc procedures of essentially trial and error. In this chapter, we review the problem of the determination of accurate and complete chemical networks in the wider context of Astrochemistry and explore the possibility of using statistical methods and machine learning (ML) techniques to reduce the uncertainty in chemical networks.
Machine Learning and Scoring Functions (SFs) for Molecular Drug Discovery: Prediction and Characterisation of Druggable Drugs and Targets
Authors: Hudson I. L. , Leemaqz S. Y. , Abell A. D.
Published: July 2020

Predicting druggability and prioritising disease-modifying targets is critical in drug discovery. In this chapter, we describe the testing of a druggability rule based on 9 molecular parameters, which uses cutpoints for each molecular parameter and targets based on mixture clustering discriminant analysis. We demonstrate that principal component constructs and score functions of violations can be used to identify the hidden pattern of druggable molecules and disease targets. Random Forest and Artificial Neural Network rules to classify the high-score target from the low-score molecular violators, based both on molecular parameters and the principal component constructs, have confirmed the value of logD's inclusion in the scoring function. Our scoring functions of counts of violations and novel principal component analytic molecular and target-based constructs partitioned chemospace well, identifying both good and poor druggable molecules and targets. Viable molecules and targets were located in both the beyond Rule of 5 and expanded Rule of 5 regions. Random Forest and Artificial Neural Networks showed different variable importance profiles, with Artificial Neural Networks models performing better than Random Forests. The most important molecular descriptors that influence classification, by the Random Forest methods, were MW, NATOM, logD, and PSA. The optimal Artificial Neural Networks target models indicated that PSA and logD were more important than the traditional parameter MW. Overall, our score 4 partitions using logD were optimal at classification as shown in all Random Forests and Artificial Neural Networks analyses.
Direct catalytic asymmetric synthesis of α-chiral primary amines
Authors: Yin Qin , Shi Yongjie , Wang Jingxin , Zhang Xumu
Published: July 2020

This review highlights the state-of-the-art catalytic methods for the direct asymmetric synthesis of α-chiral primary amines and demonstrates their utility in the construction of molecular complexities.
Cu(i) Iodide coordination polymers with aromatic thioamides
Authors: Rosendo Paula , Perles Josefina , Zamora Félix , Delgado Salome
Published: July 2020

The reaction of 4-pyridinethiobenzamide (PyTBA) with CuI and KI aqueous solution in acetone or THF under slow diffusion gives rise to the formation of single crystals of two coordination polymers [CuIPyTBA]n·nS (S = acetone; 1/3THF).
Canonical, deprotonated, or zwitterionic? II. A computational study on amino acid interaction with the TiO2(110) rutile surface: comparison with the anatase (101) surface
Authors: Pantaleone S. , Rimola A. , Sodupe M.
Published: July 2020

PBE-D2* optimized structure of Arginine adsorbed on TiO2(110) rutile surface (left) and adsorption energies of 11 amino acids upon adsorption on TiO2(110) rutile (squares) and (101) anatase (circles).
Electronic structure of triangular M3 (M = B, Al, Ga): nonclassical three-center two electron π bond and σ delocalization
Authors: Li Guangxia , Meng Lingpeng , Zhang Huaiyu , Li Xiaoyan , Zeng Yanli
Published: July 2020

In M3 (M = B, Al, Ga) clusters, the unpaired electron locates in the σ orbital, not in the π orbital. Two π electrons are shared by three atoms, to form a 3c–2e delocalization π bond.
Assessing the effect of regularization on the molecular properties predicted by SCAN and self-interaction corrected SCAN meta-GGA
Authors: Yamamoto Yoh , Salcedo Alan , Diaz Carlos M. , Alam Md Shamsul , Baruah Tunna , Zope Rajendra R.
Published: July 2020

Regularized SCAN (rSCAN) gives molecular properties similar to SCAN except for atomization energies. After the removal of self-interaction errors, rSCAN describes properties slightly better than the self-interaction corrected SCAN.
A deactivation mechanism study of phosphorus-poisoned diesel oxidation catalysts: model and supplier catalysts
Authors: Wang Aiyong , Wang Jihao , Sheti Sahil , Dahlin Sandra , Han Joonsoo , Woo Jungwon , Xie Kunpeng , Pettersson Lars J. , Olsson Louise
Published: July 2020

The effect of phosphorus poisoning on the catalytic behavior of diesel oxidation catalysts was investigated over model and supplier monolith catalysts, i.e., Pd–Pt/Al2O3.
2D MXene-derived Nb2O5/C/Nb2C/g-C3N4 heterojunctions for efficient nitrogen photofixation
Authors: Jiang Heyan , Zang Cuicui , Zhang Yinglan , Wang Wenhai , Yang Chaofen , Sun Bin , Shen Yu , Bian Fengxia
Published: July 2020

Novel 2D MXene-derived Nb2O5/C/Nb2C/g-C3N4 showed a high nitrogen reduction rate in water (0.365 mmol h−1 gcat−1); the nitrogen reduction efficiency could be further promoted 2.5 times (0.927 mmol h−1 gcat−1) with the optimized pH of 9.
Selective hydrogen production from formic acid decomposition over Mo carbides supported on carbon materials
Authors: Carrales-Alvarado D. H. , Dongil A. B. , Fernández-Morales J. M. , Fernández-García M. , Guerrero-Ruiz A. , Rodríguez-Ramos I.
Published: July 2020

The support influenced the carbide phase obtained so that a higher ratio of defective carbon favoured the formation of β-Mo2C phase vs. MoOxCy. Redox transformations during the reaction might be responsible of the transformation of β-Mo2C into MoOxCy.
Iridium-catalyzed enantioselective reductive amination of aromatic ketones
Authors: Liu Ruixia , Li Bin , Han Jingkuo , Zhang Dongxu , Li Muqiong , Yao Lin , Zhao Wei , Wang Qiaofeng , Jiang Ru , Nie Huifang
Published: July 2020

A highly efficient catalytic system of direct asymmetric reductive amination of aromatic ketones.
Anti-inflammatory effects of Samsoeum, a Korean medicine for health insurance, on chronic bronchitis caused by lipopolysaccharide in rats
Authors: Kim Mi Hye , Lee Sun Haeng , Jin Seong Chul , Choi In Yeong , Song Eun Hye , Ham Seong Ho , Yang Woong Mo
Published: July 2020

Samsoeum (SSE), a Korean medicine, has been used to treat upper respiratory infection including residual coughs after catching a cold, and colds in patients with gastrointestinal disorder.
Surface characterization study of corn-straw biochar catalysts for the simultaneous removal of HCN, COS, and CS2
Authors: Liu Na , Song Xin , Wang Chi , Li Kai , Ning Ping , Sun Xin , Wang Fei , Ma Yixing
Published: July 2020

The surface functional groups promoted the removal of HCN, COS and CS2.
Superior performance of flexible solid-state supercapacitors enabled by ultrafine graphene quantum dot-decorated porous carbon spheres
Authors: Deng Yalei , Ji Yajun , Chen Fei , Ren Fuyong , Tan Shufen
Published: July 2020

Graphene quantum dot-decorated porous carbon spheres were synthesized via a facile and green route in this study.
Fabrication of a PAN–PA6/PANI membrane using dual spinneret electrospinning followed byin situpolymerization for separation of oil-in-water emulsions
Authors: Faraji Mehdi , Nabavi Seyed Reza , Salimi-Kenari Hamed
Published: July 2020

A polyacrylonitrile–polyamide 6/polyaniline (PAN–PA6/PANI) doped membrane was prepared using dual spinneret simultaneous electrospinning of PAN and PA6 andin situpolymerization of aniline at low temperature.
Controllable growth of carbon nanosheets in the montmorillonite interlayers for high-rate and stable anode in lithium ion battery
Authors: Chen Mao-Sung , Fu Wenwu , Hu Yanjie , Chen Mao-Yuan , Chiou Yuh-Jing , Lin Hong-Ming , Zhang Ming , Shen Zhongrong
Published: July 2020

A novel insertable and pseudocapacitive Li+ ion material of highly ordered layered montmorillonite/carbon is explored.
Hierarchical integration of degradable mesoporous silica nanoreservoirs and supramolecular dendrimer complex as a general-purpose tumor-targeted biomimetic nanoplatform for gene/small-molecule anticancer drug co-delivery
Authors: Fei Yang , Li Menghuan , Li Yanan , Wang Xuan , Xue Chencheng , Wu Zuosu , Xu Jiaying , Xiazeng Zilu , Cai Kai-Yong , Luo Zhong
Published: July 2020

A biomimetic nanosystem was developed through the hierarchical integration of degradable dendritic mesoporous silica nanoparticles and functional dendrimers for the tumor-targeted delivery of genes and small-molecule anticancer drugs.
Superior to graphene: super-anticorrosive natural mica nanosheets
Authors: Ding Jiheng , Zhao Hongran , Yu Haibin
Published: July 2020

The synthesis of ultrathin natural mica nanosheets and their application in protecting metal from becoming corroded were shown.
Targeted synthesis of meso-aryl substituted aromatic trans-doubly N-confused dithia/diselena [18] porphyrins (1.1.1.1) with NIR absorption: spectroscopic and theoretical characterization
Authors: Sahoo Sumit , Sangeetha Mohandas , Bera Soumita , Usharani Dandamudi , Rath Harapriya
Published: July 2020

N-TIPS pyrrole and thiophene/selenophene dicarbinol: the two most promising and significant building blocks made for each other for constructing highly aromatic and NIR absorptive trans-doubly N-confused porphyrins.
Recent advances in the green processing of organic photovoltaic devices from nanoparticle dispersions
Authors: Rammal Mohammad , Lévêque Patrick , Schlatter Guy , Leclerc Nicolas , Hébraud Anne
Published: July 2020

Recent advances and perspectives in all aspects of the elaboration of OPV devices from nanoparticle dispersions are reviewed.
In-line monitoring of latex-particle size during emulsion polymerizations with a high polymer content of more than 60%
Authors: Jacob Laurence Isabelle , Pauer Werner
Published: July 2020

The photon density wave (PDW) spectroscopy is established in the fields of biochemistry and food chemistry as an online analytical method for the determination of mean particle sizes.
New possible candidate structure for phase IV of solid hydrogen
Authors: Li Guo-Jun , Gu Yun-Jun , Li Zhi-Guo , Chen Qi-Feng , Chen Xiang-Rong
Published: July 2020

As a whole, the vibron frequencies of theAma2 structure agree better with the experimental results compared with thePcstructure.
Exploring the styrene metabolism by aerobic bacterial isolates for the effective management of leachates in an aqueous system
Authors: C. Ebciba , N. Pavithra , S. Chris Felshia , A. Gnanamani
Published: July 2020

Profile of the three potential aerobic bacterial isolates responsible for the metabolism of styrene.
Collagen-functionalized electrospun smooth and porous polymeric scaffolds for the development of human skin-equivalent
Authors: Ravindran Girija Aswathy , Palaninathan Vivekanandan , Strudwick Xanthe , Balasubramanian Sivakumar , Dasappan Nair Sakthikumar , Cowin Allison J.
Published: July 2020

Collagen-functionalized electrospun smooth and porous poly(l-lactide) scaffolds supporting keratinocytes and fibroblasts as a potential model to serve as self-organized skin substitute.
The self-assembly of an imidazolium surfactant in an aprotic ionic liquid. 1. Comparison in aprotic and protic ionic liquids
Authors: Li Qintang , Tong Kun , Sun Meng , Yao Meihuan , Zhuang Wenchang , Pan Yue , Chen Xiao
Published: July 2020

Dramatic aggregation behaviours could happen in the aprotic and protic ionic liquids in spite of their similar cohesive energy.
Fabrication of CuOx nanowires@NiMnOx nanosheets core@shell-type electrocatalysts: crucial roles of defect modification and valence states for overall water electrolysis
Authors: Sirisomboonchai Suchada , Li Xiumin , Kitiphatpiboon Nutthaphak , Channoo Rinrada , Li Shasha , Ma Yufei , Kongparakul Suwadee , Samart Chanatip , Abudula Abuliti , Guan Guoqing
Published: July 2020

A bifunctional Cu nanowires@NiMn oxide nanosheet electrocatalyst was in situ grown on Cu foam for overall water splitting, exhibiting high activity in the pH range of 7–14 with excellent long-term stability and high faradaic efficiency.
Electrocaloric effect in relaxor ferroelectric polymer nanocomposites for solid-state cooling
Authors: Hu Hailong , Zhang Fan , Luo Shibin , Yue Jianling , Wang Chun-Hui
Published: July 2020

Ferroelectric polymer nanocomposites demonstrate improved adiabatic change of temperature and isothermal change of entropy and markedly enhanced heating–cooling efficiency.
All-in-one: branched macromolecule-protected metal nanocrystals as integrated charge separation/motion centers for enhanced photocatalytic selective organic transformations
Authors: Mo Qiao-Ling , Lin Xin , Wei Zhi-Quan , Dai Xiao-Cheng , Hou Shuo , Li Tao , Xiao Fang-Xing
Published: July 2020

Branched poly(ethylene imine) (bPEI)-capped metal nanocrystals are unlocked as integrated charge separation/motion centers towards the boosted photocatalytic selective organic transformation under visible light irradiation.
Site-specific release of reactive oxygen species from ordered arrays of microchambers based on polylactic acid and carbon nanodots
Authors: Ermakov Alexey V. , Kudryavtseva Valeriya L. , Demina Polina A. , Verkhovskii Roman A. , Zhang Jiaxin , Lengert Ekaterina V. , Sapelkin Andrei V. , Goryacheva Irina Yu. , Sukhorukov Gleb B.
Published: July 2020

Illustration of the laser-assisted release of hydrophilic H2O2 cargo from free-standing ordered arrays of biopolymer-based microchambers in a highly controlled manner.
Thermoelectric transport of semiconductor full-Heusler VFe2Al
Authors: Anand Shashwat , Gurunathan Ramya , Soldi Thomas , Borgsmiller Leah , Orenstein Rachel , Snyder G. Jeffrey
Published: July 2020

Seebeck coefficient of VFe2Al over a wide range of doping levels can be explained only with a small band-gap (Eg) range of 0.02–0.04 eV. This Eg value is also consistent with high-temperature resistivity data of nominally stoichiometric VFe2Al.
Gene polymorphism associated with angiotensinogen (M235T), endothelial lipase (584C/T) and susceptibility to coronary artery disease: a meta-analysis
Authors: Zhao Hongyan , Zhao Ranzun , Hu Shan , Rong Jidong
Published: July 2020

Objective: To explore the association between the variant M235T locus of angiotensinogen (AGT) gene, 584C/T locus of Endothelial lipase (EL) gene, and coronary artery disease (CAD) by meta-analysis.

Methods: The case–control studies on the association between AGT/EL gene polymorphism and CAD were collected through searching PubMed, Excerpta Medica Database (EMBASE), Web of Science, China National Knowledge Infrastructure (CNKI), and Wanfang databases up to 1 March 2020. Stata 15.0 software was used for analysis.

Results: A total of 29 articles met the inclusion criteria. After analyzing, it was found that the M235T polymorphism of AGT gene was associated with the occurrence of CAD. In the allele model (T vs. M), OR = 1.38 (P<v0.05). In other heredity, there was also statistical significance. Subgroup analysis indicated that except the heterozygous genetic model of the Chinese population, other genetic models of the Caucasian and Chinese population were also statistically significant. The 584C/T polymorphism of EL gene was associated with the occurrence of CAD, with OR = 0.83 (P<0.05) in the allele model (T vs. C) and OR = 0.80 (P<0.05) in the dominant gene model. Also, in the allele model of Caucasian subgroup, OR = 0.83 (P<0.05), while in Asian subgroup, there was no statistically significant genetic model.

Conclusion: AGT M235T and EL 584C/T polymorphisms are associated with CAD susceptibility. The genotype TT, TC or allele T of AGT M235T and genotype CC or allele C of EL 584C/T might be the genetic risk factors for the development of CAD.
Efficient pulse compression favourable thermal excitation scheme for non‐destructive testing using infrared thermography: a numerical study
Authors: Siddiqui J.A. , Patil S. , Chouhan S.S. , Wuriti S. , Arora V. , Mulaveesala R.
Published: July 2020

Active thermal non‐destructive testing (TNDT) has emerged as a swift, robust and cost‐effective non‐contact inspection method used to detect the surface and sub‐surface defects present in a wide verity of solid materials. To further increase the efficacy of the process, various pulse‐compression‐based post‐processing techniques are in use. However, the applicability of pulse compression‐based thermographic methods has limited due to the presence of side lobes that degrades the energy concentration capabilities within the main lobe. In order to address this limitation, this work proposes a poly‐phase code (P4‐code). P4 codes are very efficient and robust in the reduction of distribution of energy in side lobes by concentrating on the main lobe. This Letter proposes a numerical study on the applicability of P4 codes‐based pulse compression favourable thermal wave imaging approach for TNDT for testing and evaluation of steel specimen for identification of flat‐bottom hole defects located at different depths. Further performance of the proposed method is compared with the widely used linear frequency modulated thermal wave imaging by considering the signal‐to‐noise ratio as a figure‐of‐merit.