bluuebunny/crossref_metadata_2025 huggingface dataset:
Stepwise evolution of Salmonella Typhimurium ST313 causing bloodstream infection in Africa
Authors: Pulford Caisey V. , Perez-Sepulveda Blanca M. , Canals Rocío , Bevington Jessica A. , Bengtsson Rebecca J. , Wenner Nicolas , Rodwell Ella V. , Kumwenda Benjamin , Zhu Xiaojun , Bennett Rebecca J. , Stenhouse George E. , Malaka De Silva P. , Webster Hermione J. , Bengoechea Jose A. , Dumigan Amy , Tran-Dien Alicia , Prakash Reenesh , Banda Happy C. , Alufandika Lovemore , Mautanga Mike P. , Bowers-Barnard Arthur , Beliavskaia Alexandra Y. , Predeus Alexander V. , Rowe Will P. M. , Darby Alistair C. , Hall Neil , Weill François-Xavier , Gordon Melita A. , Feasey Nicholas A. , Baker Kate S. , Hinton Jay C. D.
Published: December 2020

Bloodstream infections caused by nontyphoidal Salmonella are a major public health concern in Africa, causing ~49,600 deaths every year. The most common Salmonella enterica pathovariant associated with invasive nontyphoidal Salmonella disease is Salmonella Typhimurium sequence type (ST)313. It has been proposed that antimicrobial resistance and genome degradation has contributed to the success of ST313 lineages in Africa, but the evolutionary trajectory of such changes was unclear. Here, to define the evolutionary dynamics of ST313, we sub-sampled from two comprehensive collections of Salmonella isolates from African patients with bloodstream infections, spanning 1966 to 2018. The resulting 680 genome sequences led to the discovery of a pan-susceptible ST313 lineage (ST313 L3), which emerged in Malawi in 2016 and is closely related to ST313 variants that cause gastrointestinal disease in the United Kingdom and Brazil. Genomic analysis revealed degradation events in important virulence genes in ST313 L3, which had not occurred in other ST313 lineages. Despite arising only recently in the clinic, ST313 L3 is a phylogenetic intermediate between ST313 L1 and L2, with a characteristic accessory genome. Our in-depth genotypic and phenotypic characterization identifies the crucial loss-of-function genetic events that occurred during the stepwise evolution of invasive S. Typhimurium across Africa.
Effects of surgical face masks on cardiopulmonary parameters during steady state exercise
Authors: Lässing J. , Falz R. , Pökel C. , Fikenzer S. , Laufs U. , Schulze A. , Hölldobler N. , Rüdrich P. , Busse M.
Published: December 2020

Wearing face masks reduce the maximum physical performance. Sports and occupational activities are often associated with submaximal constant intensities. This prospective crossover study examined the effects of medical face masks during constant-load exercise. Fourteen healthy men (age 25.7 ± 3.5 years; height 183.8 ± 8.4 cm; weight 83.6 ± 8.4 kg) performed a lactate minimum test and a body plethysmography with and without masks. They were randomly assigned to two constant load tests at maximal lactate steady state with and without masks. The cardiopulmonary and metabolic responses were monitored using impedance cardiography and ergo-spirometry. The airway resistance was two-fold higher with the surgical mask (SM) than without the mask (SM 0.58 ± 0.16 kPa l−1 vs. control [Co] 0.32 ± 0.08 kPa l−1; p < 0.01). The constant load tests with masks compared with those without masks resulted in a significantly different ventilation (77.1 ± 9.3 l min−1 vs. 82.4 ± 10.7 l min−1; p < 0.01), oxygen uptake (33.1 ± 5 ml min−1 kg−1 vs. 34.5 ± 6 ml min−1 kg−1; p = 0.04), and heart rate (160.1 ± 11.2 bpm vs. 154.5 ± 11.4 bpm; p < 0.01). The mean cardiac output tended to be higher with a mask (28.6 ± 3.9 l min−1 vs. 25.9 ± 4.0 l min−1; p = 0.06). Similar blood pressure (177.2 ± 17.6 mmHg vs. 172.3 ± 15.8 mmHg; p = 0.33), delta lactate (4.7 ± 1.5 mmol l−1 vs. 4.3 ± 1.5 mmol l−1; p = 0.15), and rating of perceived exertion (6.9 ± 1.1 vs. 6.6 ± 1.1; p = 0.16) were observed with and without masks. Surgical face masks increase airway resistance and heart rate during steady state exercise in healthy volunteers. The perceived exertion and endurance performance were unchanged. These results may improve the assessment of wearing face masks during work and physical training.
Goats work for food in a contrafreeloading task
Authors: Rosenberger K. , Simmler M. , Nawroth C. , Langbein J. , Keil N.
Published: December 2020

Contrafreeloading (CFL) is the phenomenon when animals work for a resource although an identical resource is available for free. Possible explanations for CFL are that animals seek context for species-specific behaviours or to control their environments. We investigated whether goats show CFL and whether breeding for productivity traits has altered its occurrence. In a manipulation task, we compared two selection lines: 27 Nigerian dwarf goats, not bred for productivity traits, and 30 dairy goats, bred for high milk yield. Over 10 trials, each goat could perform one of three behaviours: not participating in the trial, feeding for free from an open door, or opening a sliding door for a feed of similar value. The results were analysed using an Item Response Tree (IRTree) generalized linear mixed model (GLMM). The fitted probabilities to participate were > 0.87 over all trials in both selection lines. For dwarf goats, the probability of choosing the closed door, and thereby demonstrating CFL, increased from 0.30 in Trial 1 to 0.53 in Trial 10. For dairy goats, this probability was constant at approximately 0.43. Unlike dwarf goats, dairy goats were faster to approach the closed compared to the open door. Overall, our results suggest that both selection lines were similarly interested in CFL.
Efficient training of mice on the 5-choice serial reaction time task in an automated rodent training system
Authors: Birtalan Eszter , Bánhidi Anita , Sanders Joshua I. , Balázsfi Diána , Hangya Balázs
Published: December 2020

Experiments aiming to understand sensory-motor systems, cognition and behavior necessitate training animals to perform complex tasks. Traditional training protocols require lab personnel to move the animals between home cages and training chambers, to start and end training sessions, and in some cases, to hand-control each training trial. Human labor not only limits the amount of training per day, but also introduces several sources of variability and may increase animal stress. Here we present an automated training system for the 5-choice serial reaction time task (5CSRTT), a classic rodent task often used to test sensory detection, sustained attention and impulsivity. We found that full automation without human intervention allowed rapid, cost-efficient training, and decreased stress as measured by corticosterone levels. Training breaks introduced only a transient drop in performance, and mice readily generalized across training systems when transferred from automated to manual protocols. We further validated our automated training system with wireless optogenetics and pharmacology experiments, expanding the breadth of experimental needs our system may fulfill. Our automated 5CSRTT system can serve as a prototype for fully automated behavioral training, with methods and principles transferrable to a range of rodent tasks.
Author Correction: Toroidal metasurface resonances in microwave waveguides
Authors: Zografopoulos Dimitrios C. , Algorri José Francisco , Ferraro Antonio , García-Cámara Braulio , Sánchez-Pena José Manuel , Beccherelli Romeo
Published: December 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
A stepwise recognition strategy for the detection of telomerase activity via direct electrochemical analysis of metal–organic frameworks
Authors: Yang Jiarui , Dong Pengfei , Wang Yikun , Liu Tianrui , Huang Yuanyuan , Lei Jianping
Published: December 2020

A stepwise recognition strategy was developed for highly specific detection of telomerase activity via direct electrochemical analysis of metal–organic frameworks.
Electrospun artificial periosteum loaded with DFO contributes to osteogenesis via the TGF-β1/Smad2 pathway
Authors: Shi Rui , Zhang Jingshuang , Niu Kun , Li Weiyang , Jiang Ni , Li Jianlin , Yu Qingsong , Wu Chengai
Published: December 2020

We fabricate a nanofiber membrane encapsulated with DFO-loaded nanoparticles (NPs) and free DFO. Through the osteogenic properties, we speculate that DFO in the nanofiber membranes contributes to osteogenesis through the TGF-β1/Smad2 signaling pathway.
Biosynthesis of alkyne-containing natural products
Authors: Li Xinyang , Lv Jian-Ming , Hu Dan , Abe Ikuro
Published: December 2020

This review comprehensive discusses the progress in the biosynthesis of alkyne-containing natural products and introduces de novo biosynthesis for in situ generating alkyne-tagged products.
Proline isomerization effects in the amyloidogenic protein β2-microglobulin
Authors: Maschio Maria Celeste , Fregoni Jacopo , Molteni Carla , Corni Stefano
Published: December 2020

The protein β2-microglobulin can aggregate in insoluble amyloid fibrils. By relying on extensive sampling simulations, we study the Pro32 isomerization as a possible triggering factor leading to structural modifications in β2-m.
Photoinduced electron transfer in nano-Saturn complexes of fullerene
Authors: Stasyuk O. A. , Stasyuk A. J. , Solà M. , Voityuk A. A.
Published: December 2020

The photoinduced electron transfer is studied computationally in several Saturn-shaped inclusion complexes of carbo-aromatic rings and C60fullerene – C72⊃C60, C96⊃C60, C120⊃C60, and C168⊃C60.
Influence of lattice oxygen on the catalytic activity of blue titania supported Pt catalyst for CO oxidation
Authors: Choi Hanseul , Lee Jinsun , Kim Daeho , Kumar Ashwani , Jeong Beomgyun , Kim Ki-Jeong , Lee Hyoyoung , Park Jeong Young
Published: December 2020

The role of oxygen defect sites in the reaction mechanism for CO oxidation using blue TiO2with a higher concentration of oxygen vacancies deposited by Pt nanoparticles is investigated.
Vanadoborates: cluster-based architectures, preparation and properties
Authors: Liu Xing , Zhou Jian , Amarante Tatiana R. , Almeida Paz Filipe A. , Fu Lianshe
Published: December 2020

The different connections of [VOx] (x = 4, 5, 6) and [AOx] (A = B, x = 3, 4; A = P, x = 4) polyhedral units ultimately result in a fascinating variety of vanadoborate anionic clusters.
Near-canopy horizontal concentration heterogeneity of semivolatile oxygenated organic compounds and implications for 2-methyltetrols primary emissions
Authors: Ye Jianhuai , Batista Carla E. , Guimarães Patricia C. , Ribeiro Igor O. , Vidoudez Charles , Barbosa Rafael G. , Oliveira Rafael L. , Ma Yongjing , Jardine Kolby J. , Surratt Jason D. , Guenther Alex B. , Souza Rodrigo A. F. , Martin Scot T.
Published: December 2020

This study calls attention to the primary emissions of semivolatile oxygenated organic compounds (SV-OVOCs) and demonstrates how mapping out the near-canopy concentration can effectively isolate atmospheric SV-OVOC production from direct emissions.
Fate of transition metals in PO4-based in vitro assays: equilibrium modeling and macroscopic studies
Authors: Reed Brian. E. , Yalamanchili Jayashree , Leach Jennie. B. , Hennigan Christopher. J.
Published: December 2020

Through macroscopic experiments and thermodynamic modeling, this work demonstrates the precipitation and oxidation of transition metals in phosphate-based in vitro assays.
Efficient synthesis of isosorbide-based polycarbonate with scalable dicationic ionic liquid catalysts by balancing the reactivity of the endo-OH and exo-OH
Authors: Wang Weiwei , Zhang Yaqin , Yang Zifeng , Zhang Zhencai , Fang Wenjuan , Niu Donghui , He Hongyan , Xu Fei
Published: December 2020

The structure-controllable imidazole-based dicationic ionic liquids were used to precisely adjust the molecular weight and thermal properties of isosorbide-based polycarbonate.
Multi-omics data integration considerations and study design for biological systems and disease
Authors: Graw Stefan , Chappell Kevin , Washam Charity L. , Gies Allen , Bird Jordan , Robeson Michael S. , Byrum Stephanie D.
Published: December 2020

Multi-omics data integration is used to investigate biological regulation of systems.
Synergistic effect between La–Ni bimetallic oxides for the efficient decomposition of hydrogen peroxide
Authors: Liu Kui , Cheng Yafei , Shi Ying , Zhang Wei , Wang Yu , Tang Fan , Lin Xijie
Published: December 2020

La–Ni bimetallic oxides with pure composition and well-crystalline structures were prepared, which showed high catalytic activities toward H2O2 decomposition.
Synthesis of C3-alkenylated 2,3,4-trisubstituted pyrrole derivatives through cyclization of methylene isocyanides and ene–yne–ketones
Authors: Li Shasha , Zeng Gongruixue , Xing Xiaoqi , Yang Zhiheng , Ma Feiyun , Li Boxia , Cheng Weiyan , Zhang Jiankang , He Ruoyu
Published: December 2020

A mild, transition-metal-free and facile C3-alkenylated 2,3,4-trisubstituted pyrrole cyclization of methylene isocyanides with ene–yne–ketones in moderate to good yields was explored.
Can the relative positions (cis–trans) of ligands really modulate the coordination of NO in ruthenium nitrosyl complexes?
Authors: Orenha Renato Pereira , Silva Graziele Cappato Guerra , Morgon Nelson Henrique , Caramori Giovanni Finoto , Parreira Renato Luis Tame
Published: December 2020

As nitric oxide is involved in several biological routes, DFT calculations were performed to compare thecisandtransinfluence of different ligands with regard to the capability of model ruthenium complexes to control the NO availability.
Self-dispersible graphene quantum dots in ethylene glycol for direct absorption-based medium-temperature solar-thermal harvesting
Authors: Lin Ruiming , Zhang Jingyi , Shu Lei , Zhu Jing , Fu Benwei , Song Chengyi , Shang Wen , Tao Peng , Deng Tao
Published: December 2020

Self-dispersible graphene quantum dots in ethylene glycol enable stable nanofluidic solar-thermal energy harvesting at medium temperatures.
A comprehensive optical and electrical study of unsymmetrical imine with four thiophene rings and their binary and ternary compositions with PTB7 and PC70BM towards organic photovoltaics
Authors: Jewłoszewicz Beata , Bogdanowicz Krzysztof Artur , Przybył Wojciech , Dysz Karolina , Dylong Agnieszka , Gonciarz Agnieszka , Pich Robert , Mech Wojciech , Korona Krzysztof P. , Kamińska Maria , Zarębska Kamila , Skompska Magdalena , Kaim Andrzej , Ciesielski Arkadiusz , Iwan Agnieszka
Published: December 2020

A new unsymmetrical imine with four thiophene rings was synthesized in a one-step reaction, starting from the commercially available and relatively inexpensive reagents.
The degree and source of plastic recyclates contamination with polycyclic aromatic hydrocarbons
Authors: Alassali Ayah , Calmano Wolfgang , Gidarakos Evangelos , Kuchta Kerstin
Published: December 2020

The degree and source of recyclates contamination with polycyclic aromatic hydrocarbons was studied in 8 polyolefin recyclate samples; 4 from post-consumer packaging waste and 4 from a mixed source (post-industrial, post-commercial, and post-consumer).
Improved photoelectrode performance of chemical solution-derived Bi2O3 crystals via manipulation of crystal characterization
Authors: Liang Yuan-Chang , Chou Yu-Hsun
Published: December 2020

Bi2O3 crystals with various morphologies were successfully synthesized on F-doped tin oxide substrates with and without homoseed layers via chemical bath deposition routes.
Frontier performance ofin situformed α-MnO2dispersed over functionalized multi-walled carbon nanotubes covalently anchored to a graphene oxide nanosheet framework as supercapacitor materials
Authors: Islam Md. Mahinur , Mollah M. Yousuf Ali , Susan Md. Abu Bin Hasan , Islam Md. Mominul
Published: December 2020

Achieving the milestone of theoretical capacitance of α-MnO2dispersed over 3D multi-walled carbon nanotubes anchored to a graphene oxide nanosheet framework.
Design, characterization and catalytic evaluation of halometallic ionic liquid incorporated Nd2O3nanoparticles ([smim][FeCl4]−@Nd2O3) for the synthesis ofN-aryl indeno pyrrole derivatives
Authors: Khan Mohd Umar , Rather Ryhan Abdullah , Siddiqui Zeba N.
Published: December 2020

Silica modified imidazolium based halometallic ionic liquids, [smim][MCl4] and [smim][FeCl4]−@Nd2O3were synthesized for the evaluation of acidic and catalytic properties.
A novel dihydro phenylquinazolinone-based two-in-one colourimetric chemosensor for nickel(ii), copper(ii) and its copper complex for the fluorescent colourimetric nanomolar detection of the cyanide anion
Authors: Sahu Meman , Manna Amit Kumar , Chowdhury Shubhamoy , Patra Goutam Kumar
Published: December 2020

A novel colorimetric chemosensor L has been developed for the detection of Ni2+ and Cu2+ ions. The obtained L–Cu2+ complex can be used as a new cascade fluorescent-colorimetric sensor for the nanomolar detection of CN− ions. This chemosensor has practical application.
Catalytic application of sulfamic acid-functionalized magnetic Fe3O4 nanoparticles (SA-MNPs) for protection of aromatic carbonyl compounds and alcohols: experimental and theoretical studies
Authors: Khaef Sepideh , Zolfigol Mohammad Ali , Taherpour Avat Arman , Yarie Meysam
Published: December 2020

Protection techniques of functional groups within the structure of organic compounds are important synthetic methods against unwanted attacks from various reagents during synthetic sequences.
Elderberry (Sambucus nigra L.) juice as a novel functional product rich in health-promoting compounds
Authors: Vujanović Milena , Majkić Tatjana , Zengin Gökhan , Beara Ivana , Tomović Vladimir , Šojić Branislav , Đurović Saša , Radojković Marija
Published: December 2020

The medicinal herbs of the Balkan Peninsula are highly represented in traditional medicine.
Single molecule magnets of cobalt and zinc homo- and heterometallic coordination polymers prepared by a one-step synthetic procedure
Authors: Portolés-Gil Núria , Gómez-Coca Silvia , Vallcorba Oriol , Marbán Gregorio , Aliaga-Alcalde Núria , López-Periago Ana , Ayllón José A. , Domingo Concepción
Published: December 2020

One-pot synthesis of heterometallic (Zn(ii)/Co(ii)) nodes directing CP magnetic behaviour to single molecule magnets.
Self-reversible mechanofluorochromism of AIE-active C6-unsubstituted tetrahydropyrimidine derivatives
Authors: Liu Yanshan , Liao Yunhui , Ye Ziwei , Chen Lina , He Yun , Huang Yifan , Lai Yingyu , Chen Junguo , Zhu Qiuhua
Published: December 2020

AIE-active THPs exhibit interesting self-reversible mechanofluorochromism. The conversion between molecular packing modes and the intermolecular H-bonds account for the mechanofluorochromism.
Selective complexation and efficient separation of cis/trans-1,2-dichloroethene isomers by a pillar[5]arene
Authors: Li Bin , Xu Kaidi , Wang Yiliang , Su Hang , Cui Lei , Li Chunju
Published: December 2020

The complexation and separation of industrially important cis- and trans-1,2-dichloroethene (cis- and trans-DCE) isomers using perethylated pillar[5]arene (EtP5) are described.
A divergent approach for the synthesis of (hydroxymethyl)furfural (HMF) from spent aromatic biomass-derived (chloromethyl)furfural (CMF) as a renewable feedstock
Authors: Singh Mangat , Pandey Nishant , Mishra Bhuwan B.
Published: December 2020

Extraction of commercial essential oil from aromatic crops results in the accumulation of huge spent aromatic waste which can be used for production of platform chemicals such as xylose, CMF and HMF.
pH-sensitive zwitterionic polycarboxybetaine as a potential non-viral vector for small interfering RNA delivery
Authors: Peng Huan , Ji Weihong , Zhao Ruichen , Lu Zhiguo , Yang Jun , Li Yan , Zhang Xin
Published: December 2020

pH-sensitive zwitterionic polycarboxybetaine could complex siRNA in an acidic environment and could be used as a non-viral vector for safe siRNA delivery.
Polymer entanglement drives formation of fibers from stable liquid bridges of highly viscous dextran solutions
Authors: Chowdhry Gurkaran , Chang Yi Ming , Frampton John P. , Kreplak Laurent
Published: December 2020

Reptation theory explains the formation of 10 cm long polymer fibers from stable liquid bridges.
Lipase sensing by naphthalene diimide based fluorescent organic nanoparticles: a solvent induced manifestation of self-assembly
Authors: Chakraborty Debayan , Sarkar Deblina , Ghosh Anup Kumar , Das Prasanta Kumar
Published: December 2020

Naphthalene diimide derived amphiphile showed aggregation induced bluish green emission of fluorescent organic nanoparticle through solvent induced morphological transformation and was used in selective sensing of lipase with a LOD of 10.0 ± 0.8 mg L−1.
Heterostructure enhanced sodium storage performance for SnS2 in hierarchical SnS2/Co3S4 nanosheet array composite
Authors: Cheng Lele , Zhang Yingmeng , Chu Panpan , Wang Suhang , Li Yongliang , Ren Xiangzhong , Zhang Peixin , Sun Lingna
Published: December 2020

Herein, a uniformly distributed SnS2/Co3S4 heterostructure nanosheet array was grown on carbon cloth (CC) fibers by a solvothermal method and an oil bath method. The protective layer of Co3S4 nanoparticles can enhance the sodium storage performance.
Morphological control of electrodeposited lithium metal via seeded growth: stepwise spherical to fibrous lithium growth
Authors: Park Se Hwan , Lee Yun Jung
Published: December 2020

The morphology of Li electrodeposits was controlled to have low surface area fibrous shape by simply controlling the current density.
Polymer-inspired covalent triazine frameworks from the carbonaceous side – influence of unexpected surface functionalisation on liquid-phase adsorption processes
Authors: Iemhoff Andree , Deischter Jeff , Jung Shannon , Tuci Giulia , Giambastiani Giuliano , Palkovits Regina
Published: December 2020

The carbonized character of covalent triazine frameworks (CTF), based on two different synthesis approaches, is described and tailored for liquid-phase adsorption processes.
Functional silk fibroin hydrogels: preparation, properties and applications
Authors: Zheng Haiyan , Zuo Baoqi
Published: December 2020

This article reviews the current status of the preparation, properties and application of functional silk protein hydrogels.
Facile synthesis of solid-state fluorescent organosilica nanoparticles with a photoluminescence quantum yield of 73.3% for fingerprint recognition and white-light-emitting diodes
Authors: Liang Jiahao , Wu Yongzhong , Gong Xiao , Vomiero Alberto
Published: December 2020

Polymer-like coated OSiNPs with a solid-state PLQY of up to 73.3% for applications in WLEDs and fingerprint recognition are fabricated by a simple hydrothermal method.
Structural modulation in potassium birnessite single crystals
Authors: Kulish Liliia D. , Nukala Pavan , Scholtens Rick , Uiterwijk A. G. Mike , Hamming-Green Ruben , Blake Graeme R.
Published: December 2020

The largest single crystals of potassium birnessite thus far reported are grown. The structure is studied at atomic resolution. Mn3+/Mn4+ charge ordering, structural modulation and stacking faults are found.
The RNA-binding protein HuR regulates intestinal epithelial restitution by modulating Caveolin-1 gene expression
Authors: Cao Shan , Xiao Lan , Wang Junyao , Chen Guodong , Liu Yulan
Published: December 2020

The integrity of the intestinal mucosal barrier protects hosts against pathological conditions. Early mucosal restitution after wounding refers to epithelial cell migration into a defect. The RNA-binding protein HuR plays an important role in the posttranscriptional regulation of gene expression and is involved in many aspects of cellular physiology. In the present study, we investigated the role of HuR in the regulation of cell migration through the posttranscriptional regulation of Caveolin-1 (Cav-1). Online software was used to identify Cav-1 mRNA as a potential target of HuR. The interaction of HuR with Cav-1 mRNA was investigated via ribonucleoprotein immunoprecipitation (RNP IP) assays and biotin pulldown analysis. HuR was found to bind specifically to the Cav-1 3′-UTR rather than the coding region or 5′-UTR. Transfection of cells with siHuR decreased both HuR protein levels and Cav-1 protein levels; conversely, ectopic overexpression of HuR via infection of cells with an adenoviral vector containing HuR cDNA (AdHuR) increased Cav-1 protein levels without disturbing Cav-1 mRNA levels. Thus, HuR enhanced Cav-1 expression in vitro by stimulating Cav-1 translation. Intestinal epithelium-specific HuR knockout in mice decreased Cav-1 protein levels without changing Cav-1 mRNA levels, consistent with the in vitro results. Decreasing the levels of HuR via siHuR transfection inhibited early epithelial repair, but this effect was reversed by ectopic overexpression of GFP-tagged Cav-1. These results indicate that posttranscriptional regulation of Cav-1 gene expression by HuR plays a critical role in the regulation of rapid epithelial repair after wounding.
Hyperthermia induced disruption of mechanical balance leads to G1 arrest and senescence in cells
Authors: Mundhara Nikita , Majumder Abhijit , Panda Dulal
Published: December 2020

Human body temperature limits below 40°C during heat stroke or fever. The implications of prolonged exposure to the physiologically relevant temperature (40°C) on cellular mechanobiology is poorly understood. Here, we have examined the effects of heat stress (40°C for 72 h incubation) in human lung adenocarcinoma (A549), mouse melanoma (B16F10), and non-cancerous mouse origin adipose tissue cells (L929). Hyperthermia increased the level of ROS, γ-H2AX and HSP70 and decreased mitochondrial membrane potential in the cells. Heat stress impaired cell division, caused G1 arrest, induced cellular senescence, and apoptosis in all the tested cell lines. The cells incubated at 40°C for 72 h displayed a significant decrease in the f-actin level and cellular traction as compared with cells incubated at 37°C. Also, the cells showed a larger focal adhesion area and stronger adhesion at 40°C than at 37°C. The mitotic cells at 40°C were unable to round up properly and displayed retracting actin stress fibers. Hyperthermia down-regulated HDAC6, increased the acetylation level of microtubules, and perturbed the chromosome alignment in the mitotic cells at 40°C. Overexpression of HDAC6 rescued the cells from the G1 arrest and reduced the delay in cell rounding at 40°C suggesting a crucial role of HDAC6 in hyperthermia mediated responses. This study elucidates the significant role of cellular traction, focal adhesions, and cytoskeletal networks in mitotic cell rounding and chromosomal misalignment. It also highlights the significance of HDAC6 in heat-evoked senile cellular responses.
Potential therapeutic applications of AKAP disrupting peptides
Authors: Murabito Alessandra , Cnudde Sophie , Hirsch Emilio , Ghigo Alessandra
Published: December 2020

The 3′–5′-cyclic adenosine monophosphate (cAMP)/PKA pathway represents a major target for pharmacological intervention in multiple disease conditions. Although the last decade saw the concept of highly compartmentalized cAMP/PKA signaling consolidating, current means for the manipulation of this pathway still do not allow to specifically intervene on discrete cAMP/PKA microdomains. Since compartmentalization is crucial for action specificity, identifying new tools that allow local modulation of cAMP/PKA responses is an urgent need. Among key players of cAMP/PKA signaling compartmentalization, a major role is played by A-kinase anchoring proteins (AKAPs) that, by definition, anchor PKA, its substrates and its regulators within multiprotein complexes in well-confined subcellular compartments. Different tools have been conceived to interfere with AKAP-based protein–protein interactions (PPIs), and these primarily include peptides and peptidomimetics that disrupt AKAP-directed multiprotein complexes. While these molecules have been extensively used to understand the molecular mechanisms behind AKAP function in pathophysiological processes, less attention has been devoted to their potential application for therapy. In this review, we will discuss how AKAP-based PPIs can be pharmacologically targeted by synthetic peptides and peptidomimetics.
Distances to molecular clouds in the second Galactic quadrant
Authors: Yan Qing-Zeng , Yang Ji , Sun Yan , Su Yang , Xu Ye , Wang Hongchi , Zhou Xin , Wang Chen
Published: December 2020

We present distances to 76 medium-sized molecular clouds and an extra large-scale molecular cloud in the second Galactic quadrant (104. °75 < l < 150. °25 and |b| < 5. °25), 73 of which are accurately measured for the first time. Molecular cloud samples are drawn from l-b-V space (− 95 < VLSR < 25 km s−1) with the density-based spatial clustering of applications with noise algorithm, and distances are measured with the background-eliminated extinction-parallax method using extinctions and Gaia DR2 parallaxes. The range of the measured distances to the 76 molecular clouds is from 211 to 2631 pc, and the extra large-scale molecular cloud appears to be a coherent structure at about 1 kpc, across about 40° (~700 pc) in the Galactic longitude.
Contribution of bone-reverberated waves to sound localization of dolphins: A numerical model
Authors: Hejazi Nooghabi Aida , Grimal Quentin , Herrel Anthony , Reinwald Michael , Boschi Lapo
Published: December 2020

We implement a new algorithm to model acoustic wave propagation through and around a dolphin skull, using the k-Wave software package [1]. The equation of motion is integrated numerically in a complex three-dimensional structure via a pseudospectral scheme which, importantly, accounts for lateral heterogeneities in the mechanical properties of bone. Modeling wave propagation in the skull of dolphins contributes to our understanding of how their sound localization and echolocation mechanisms work. Dolphins are known to be highly effective at localizing sound sources; in particular, they have been shown to be equally sensitive to changes in the elevation and azimuth of the sound source, while other studied species, e.g. humans, are much more sensitive to the latter than to the former. A laboratory experiment conducted by our team on a dry skull [2] has shown that sound reverberated in bones could possibly play an important role in enhancing localization accuracy, and it has been speculated that the dolphin sound localization system could somehow rely on the analysis of this information. We employ our new numerical model to simulate the response of the same skull used by [2] to sound sources at a wide and dense set of locations on the vertical plane. This work is the first step towards the implementation of a new tool for modeling source (echo)location in dolphins; in future work, this will allow us to effectively explore a wide variety of emitted signals and anatomical features.
Geological conditions of karst development in the Nizhneirensko-Orda area (Perm Krai, Russia)
Authors: Erofeev Eugene , Kataev Valery
Published: December 2020

The article presents the results of research on the use of remote sensing methods in combination with general geological methods to study the patterns of karst development. Practical aspects of expanding the possibilities of using remote sensing methods for engineering and geological surveys in territories of karst development are considered. Analysis and interpretation of the research materials were carried out using spatial analysis and mathematical methods. The priority tasks of the research were to evaluate and expand the possibilities of using remote methods as part of a complex of engineering and geological surveys, to combine remote research methods with general geological methods for solving specific practical problems, to establish general laws of the influence of various natural factors on the intensity and parameters of surface karst forms, their analysis and mathematical justification.
Spatial routing network building for pedestrian panoramic survey points when monitoring urban areas
Authors: Penshin Ignat N. , Evstratova Larisa G.
Published: December 2020

The relevance of the development of new solutions for building a spatial routing network for points of pedestrian panoramic shooting when monitoring urban infrastructure is considered. A computationally efficient automated algorithm has been developed and implemented in software, which provides the ability to move the user in the forward and backward direction between any pair of incident points of a panoramic survey using a custom geoportal. The proposed approach takes into account changes in the urban environment (transport networks, capital structures), thus, they are not an obstacle to the operation of the created spatial routing network. It remains possible to rebuild the network at any required scale (shooting tracks, groups of tracks, urban areas, administrative districts, the whole city).
Remote spectral methods for detecting stress coniferous
Authors: Katkovsky Leonid , Beliaev Boris , Siliuk Volha , Beliaev Mikhail , Sarmin Erik , Davidovich Yurii
Published: December 2020

The article presents investigation of the possibility of drying coniferous forest areas detecting by multispectral satellite data in the visible and NIR spectral range with low spatial resolution, obtained by the imaging systems of three satellites - the Belarusian spacecraft (BS), Landsat 8 and Sentinel 2. A forest area in the south of Belarus was considered as a test site. High-resolution multispectral airborne data and, in part, ground measurements were used as reference ground data by which training samples were formed. Most of the known classical methods of supervised classification have been tested, the maximum likelihood method turned out to be the best for this task. In order to improve the accuracy of identifying the drying areas of coniferous forests on multispectral images, parametric transformations of images in the spectral space are proposed, which should lead to an increase in initial small spectral differences. The methodological issues of assessing the accuracy of the satellite images classification are considered using the result of the classification of airborne image with high spatial resolution as a ground truth image. The assessment of the classification accuracy, both visually and using the obtained confusion matrices, allows us to conclude that the images of the BS, Landsat 8 and Sentinel 2 can be used to detect drying area of coniferous forests as well as the expediency of carrying out the proposed transformations of the original images.
Mode and regime identification for a static NACA0012 airfoil at transitional Reynolds numbers
Authors: Poels Allison , Collin Xavier , Benaissa Azemi , Poirel Dominique
Published: December 2020

This work examines the flow structure modes in the boundary layer and in the wake of a NACA0012 airfoil in static conditions at transitional chord-based Reynolds numbers (Rec), for small angles of attack (α). A laminar mode, with a laminar separation of the boundary layer and laminar Kármán streets in the wake, was first observed for Rec< 61400 andα= 0°. For 77 000 < Rec< 118600, which corresponds to a regime between laminar and transitional mode called subcritical mode, the boundary layer exhibited a long separation bubble reattached close to the trailing edge, and the wake showed a turbulent Kármán street. Finally, for higher Recandα, a critical transition mode consisted of a long bubble followed by a turbulent separation, and a less structured vortex street in the wake of the airfoil.
Recent Advances in Radical-Involved Alkynylation of Unactivated C(sp3)–H Bonds by Hydrogen Atom Abstraction
Authors: Zhang Zheng-Hua , Wei He , Li Zhong-Liang , Liu Xin-Yuan
Published: December 2020

The direct C(sp3)–H functionalization is one of the major research topics in synthetic chemistry since C(sp3)–H bonds are ubiquitous in every aspect of chemistry. Despite impressive advances in transition-metal-catalyzed C(sp3)–H activation, the radical-initiated process via hydrogen atom abstraction (HAA) of C(sp3)–H bonds represents a more appealing strategy owing to the mild reaction conditions and good regioselectivity. Given the importance of alkynes as versatile synthons in organic synthesis and key structural motifs in drug discovery, great efforts have been made toward their synthesis via the combination of HAA and alkynylation process in recent years. This review summarizes the recent progress in radical-initiated C(sp3)–H alkynylation reactions with emphasis on the alkynylating reagents and mechanistic discussion.

1 Introduction

2 Alkynylation of C(sp3)–H via Intermolecular Hydrogen Atom Abstraction

3 Alkynylation of C(sp3)–H via Intramolecular Hydrogen Atom Abstraction

4 Conclusion
Preeclampsia as an Inaugural Manifestation of Primary Hyperparathyroidism: A Case Report
Authors: Dias Leite Sara , Ormonde Carolina Câmara , Ormonde Mariana Câmara , Raposo Joana Teresa Botelho Vasconcelos , Sampaio Joana Isabel Nunes , Melo Bruna Carina da Silva
Published: December 2020

Primary hyperparathyroidism is an endocrine disorder characterized by hypercalcemia and elevated or inappropriately normal levels of parathyroid hormone. The diagnosis is based on a biochemical evaluation, and a neck ultrasound is the first choice during pregnancy to access the parathyroid glands. Manifestations during pregnancy are rare and can be present with life-threatening complications, so the diagnosis is challenging. The conservative treatment is limited, and there is not enough data about its safety and efficacy during pregnancy. Surgery is the only curative treatment, and a parathyroidectomy performed during the second or third trimesters is considered safe. Recently, some authors suggested an association between primary hyperparathyroidism and preeclampsia. We describe a case of preeclampsia with severe features at 27 weeks of gestational age. The severity of the preeclampsia motivated an early termination of the pregnancy by cesarean section. During the postpartum period, the patient presented life-threatening complications, such as severe hypercalcemia and acute pancreatitis. An ultrasound exam found two parathyroid nodules, suggestive of parathyroid adenomas. The patient recovered after the pharmacological correction of the calcemia levels.
The integrated miniaturized electrostatic analyzer: A space plasma environment sensor
Authors: Wilson G. R. , Maldonado C. A. , Enloe C. L. , Balthazor R. D. , Neal P. C. , McHarg M. G.
Published: December 2020

The integrated Miniaturized Electrostatic Analyzer (iMESA) was a satellite-based ionospheric sensor that operated on NASA’s Space Test Program Satellite (STPSat-3) from December 2013 to July 2019. The instrument’s scientific objective was to (1) measure the plasma density in low Earth orbit, (2) measure the plasma temperature in low Earth orbit, and (3) quantify the spacecraft potential with respect to the ambient plasma potential in the ionosphere. iMESA sampled the ionosphere every 10 s by measuring the ion current density through the ESA as a result of the motion of the spacecraft through the plasma. Current density spectra were transmitted to the ground where they were post-processed into ion density spectra and then analyzed numerically to determine the ion density, ion temperature, and spacecraft potential. This article discusses the instrument design and simulation, the determination of a geometric factor, and data processing procedures and evaluates the final data product with regard to the mission success criteria. The ion density and ion temperature captured by the iMESA instrument are on the same order and range as the values predicted in the literature. The spacecraft potential was also quantified. The conclusion after the evaluation of the instrument’s data product is that the scientific mission is successful on all three points.
Data-driven materials research enabled by natural language processing and information extraction
Authors: Olivetti Elsa A. , Cole Jacqueline M. , Kim Edward , Kononova Olga , Ceder Gerbrand , Han Thomas Yong-Jin , Hiszpanski Anna M.
Published: December 2020

Given the emergence of data science and machine learning throughout all aspects of society, but particularly in the scientific domain, there is increased importance placed on obtaining data. Data in materials science are particularly heterogeneous, based on the significant range in materials classes that are explored and the variety of materials properties that are of interest. This leads to data that range many orders of magnitude, and these data may manifest as numerical text or image-based information, which requires quantitative interpretation. The ability to automatically consume and codify the scientific literature across domains—enabled by techniques adapted from the field of natural language processing—therefore has immense potential to unlock and generate the rich datasets necessary for data science and machine learning. This review focuses on the progress and practices of natural language processing and text mining of materials science literature and highlights opportunities for extracting additional information beyond text contained in figures and tables in articles. We discuss and provide examples for several reasons for the pursuit of natural language processing for materials, including data compilation, hypothesis development, and understanding the trends within and across fields. Current and emerging natural language processing methods along with their applications to materials science are detailed. We, then, discuss natural language processing and data challenges within the materials science domain where future directions may prove valuable.
Inflationary stimulated Raman scattering in shock-ignition plasmas
Authors: Spencer S. J. , Seaton A. G. , Goffrey T. , Arber T. D.
Published: December 2020

In the shock-ignition inertial confinement fusion scheme, high-intensity lasers propagate through an inhomogeneous coronal plasma, driving a shock designed to cause fuel ignition. During the high-intensity ignitor laser pulse, in the long scale length coronal plasma, back-scattered stimulated Raman scattering (SRS) is likely to be in the kinetic regime. In this work, we use one-dimensional particle-in-cell simulations to show that there is a non-linear frequency shift caused by kinetic effects, resulting in the growth of SRS in an inhomogeneous plasma far exceeding the predictions of fluid theory, the so-called inflationary SRS or iSRS. We find that iSRS occurs over a wide range of density scale lengths relevant to shock-ignition and other directly-driven inertial confinement fusion schemes. The presence of iSRS in shock-ignition plasmas has implications for the theoretical gains from shock-ignition inertial confinement fusion. Here, we quantify the intensity threshold for the onset of iSRS for shock-ignition relevant parameters.
A versatile droplet on demand generator based on active pressure control
Authors: Albadi Ahmed , Zhang Yang
Published: December 2020

The development of a novel on-demand droplet generator is reported in this paper based on off-the-shelf electromechanical components. With the ability to produce a broad range of droplet sizes, this device was designed to have minimum components without compromising reliability. The generator performance was assessed by producing water droplets for fire dynamics and suppression studies. Droplet formation at the tip of the nozzle was visualized using high-speed imaging. Stable and unstable regions can be identified easily through the images. Interchangeable nozzles can be used, allowing different droplet sizes. The setting parameters of the device allow accurate control of droplet size and initial speed. The device controls the liquid pressure actively and precisely. The active control of pressure and the ability to have specific droplet ejection parameters ensured the repeatability of droplet conditions. Characterization of the device is presented along with the calibration data, which can be collected in an efficient methodology. These data enable the selection of droplet size and speed when required. This system could easily be implemented in other research areas. Hence, the intention is to share and highlight the generator features for its use in a range of other scientific applications.
Group-based evaluation of temperature and pressure for molecular dynamics simulation with a large time step
Authors: Jung Jaewoon , Sugita Yuji
Published: December 2020

Recently, we proposed novel temperature and pressure evaluations in molecular dynamics (MD) simulations to preserve the accuracy up to the third order of a time step, δt [J. Jung, C. Kobayashi, and Y. Sugita, J. Chem. Theory Comput. 15, 84–94 (2019); J. Jung, C. Kobayashi, and Y. Sugita, J. Chem. Phys. 148, 164109 (2018)]. These approaches allow us to extend δt of MD simulations under an isothermal–isobaric condition up to 5 fs with a velocity Verlet integrator. Here, we further improve the isothermal–isobaric MD integration by introducing the group-based evaluations of system temperature and pressure to our previous approach. The group-based scheme increases the accuracy even using inaccurate temperature and pressure evaluations by neglecting the high-frequency vibrational motions of hydrogen atoms. It also improves the overall performance by avoiding iterations in thermostat and barostat updates and by allowing a multiple time step integration such as r-RESPA (reversible reference system propagation algorithm) with our proposed high-precision evaluations of temperature and pressure. Now, the improved integration scheme conserves physical properties of lipid bilayer systems up to δt = 5 fs with velocity Verlet as well as δt = 3.5 fs for fast motions in r-RESPA, respectively.
Numerical study on the reaction mechanism of CO2 hydrogenation in atmospheric-pressure dielectric barrier discharge
Authors: Liao Yukun , Zhong Wangshen , Qian Muyang , Liu Sanqiu , Zhang Jialiang , Wang Dezhen
Published: December 2020

Recently, the catalytic conversion of greenhouse gases by plasma technology has attracted more and more attention. In this paper, a two-dimensional fluid model is developed to study the reaction mechanism of plasma CO2 hydrogenation in atmospheric-pressure dielectric barrier discharge (DBD). The effect of varying volume ratio of CO2/H2 on reaction mechanism of CO2 hydrogenation is studied carefully, such as temporal and spatial density distributions of main radicals and ions, dynamics of streamer propagation, and generation and loss pathways of H, CO, and CH3OH. It is found that H, O, and CO are the three most abundant species, and lower hydrogen content in gas mixture promotes streamer propagation and the formation of conduction current in plasma column. Besides, H is mainly produced by electron-impact dissociation of H2 (e + H2 ⇒ e + 2H); O and CO are dominantly produced by electron-impact dissociation of CO2 (e + CO2 ⇒ e + CO + O). Interestingly, H addition reaction to the intermediate species CH3O (CH3O + H ⇒ CH3OH) is found to be the main reaction pathway for methanol formation. Finally, a schematic overview of dominant reaction pathways for plasma CO2 hydrogenation in atmospheric DBD is presented, which ultimately leads to a better understanding of the intrinsic reaction mechanism.