bluuebunny/crossref_metadata_2025 huggingface dataset:
A novel Ancestral Beijing sublineage of Mycobacterium tuberculosis suggests the transition site to Modern Beijing sublineages
Authors: Ajawatanawong Pravech , Yanai Hideki , Smittipat Nat , Disratthakit Areeya , Yamada Norio , Miyahara Reiko , Nedsuwan Supalert , Imasanguan Worarat , Kantipong Pacharee , Chaiyasirinroje Boonchai , Wongyai Jiraporn , Plitphonganphim Supada , Tantivitayakul Pornpen , Phelan Jody , Parkhill Julian , Clark Taane G. , Hibberd Martin L. , Ruangchai Wuthiwat , Palittapongarnpim Panawun , Juthayothin Tada , Thawornwattana Yuttapong , Viratyosin Wasna , Tongsima Sissades , Mahasirimongkol Surakameth , Tokunaga Katsushi , Palittapongarnpim Prasit
Published: September 2019

Global Mycobacterium tuberculosis population comprises 7 major lineages. The Beijing strains, particularly the ones classified as Modern groups, have been found worldwide, frequently associated with drug resistance, younger ages, outbreaks and appear to be expanding. Here, we report analysis of whole genome sequences of 1170 M. tuberculosis isolates together with their patient profiles. Our samples belonged to Lineage 1–4 (L1–L4) with those of L1 and L2 being equally dominant. Phylogenetic analysis revealed several new or rare sublineages. Differential associations between sublineages of M. tuberculosis and patient profiles, including ages, ethnicity, HIV (human immunodeficiency virus) infection and drug resistance were demonstrated. The Ancestral Beijing strains and some sublineages of L4 were associated with ethnic minorities while L1 was more common in Thais. L2.2.1.Ancestral 4 surprisingly had a mutation that is typical of the Modern Beijing sublineages and was common in Akha and Lahu tribes who have migrated from Southern China in the last century. This may indicate that the evolutionary transition from the Ancestral to Modern Beijing sublineages might be gradual and occur in Southern China, where the presence of multiple ethnic groups might have allowed for the circulations of various co-evolving sublineages which ultimately lead to the emergence of the Modern Beijing strains.
The microbial community in filamentous bulking sludge with the ultra-low sludge loading and long sludge retention time in oxidation ditch
Authors: Zhang Meng , Yao Junqin , Wang Xiyuan , Hong Ying , Chen Yinguang
Published: September 2019

Sludge bulking is a major problem that restricts the development of the activated sludge process. The microbial community responsible for sludge bulking varies depending on water quality and operational conditions. This study analysed the microbial community of bulking sludge in oxidation ditch with ultra-low sludge loading and long sludge retention time using high-throughput sequencing. The study found that the relative abundance of bacterial genus Saprospiraceae_norank was the highest in bulking sludge, reaching 13.39–28.83%, followed by Comamonadaceae_unclassified, Ardenticatenia_norank and Tetrasphaera, with the relative abundance of 4.59–11.08%, 0.52–16.60% and 0.17–8.92% respectively. In contrast, the relative abundance of bacteria that easily caused sludge bulking including Microthrix (0.54–2.47%), Trichococcus (0.32–1.71%), Gordonia (0.14–1.28%), and Thiothrix (0.01–0.06%) were relatively low. Saprospiraceae_norank was predominant and induced sludge bulking in oxidation ditch. The relative abundance of fungal genus Trichosporon was the highest in bulking sludge, reaching 16.95–24.98%, while other fungal genera were Saccharomycetales_unclassified (5.59–14.55%), Ascomycota_norank (1.45–13.51%), Galactomyces (5.23–11.23%), and Debaryomyces (7.69–9.42%), whereas Trichosporon was the dominant fungal genus in bulking sludge. This study reported that excessive Saprospiraceae_norank can induce sludge bulking for the first time, which provides important knowledge to control sludge bulking.
Trp–His covalent adduct in bilirubin oxidase is crucial for effective bilirubin binding but has a minor role in electron transfer
Authors: Kovaľ Tomáš , Švecová Leona , Østergaard Lars H. , Skalova Tereza , Dušková Jarmila , Hašek Jindřich , Kolenko Petr , Fejfarová Karla , Stránský Jan , Trundová Mária , Dohnálek Jan
Published: September 2019

Unlike any protein studied so far, the active site of bilirubin oxidase from Myrothecium verrucaria contains a unique type of covalent link between tryptophan and histidine side chains. The role of this post-translational modification in substrate binding and oxidation is not sufficiently understood. Our structural and mutational studies provide evidence that this Trp396–His398 adduct modifies T1 copper coordination and is an important part of the substrate binding and oxidation site. The presence of the adduct is crucial for oxidation of substituted phenols and it substantially influences the rate of oxidation of bilirubin. Additionally, we bring the first structure of bilirubin oxidase in complex with one of its products, ferricyanide ion, interacting with the modified tryptophan side chain, Arg356 and the active site-forming loop 393-398. The results imply that structurally and chemically distinct types of substrates, including bilirubin, utilize the Trp–His adduct mainly for binding and to a smaller extent for electron transfer.
Thorn-like TiO2 nanoarrays with broad spectrum antimicrobial activity through physical puncture and photocatalytic action
Authors: Kim Eun-Ju , Choi Mingi , Park Hyeon Yeong , Hwang Ji Young , Kim Hyung-Eun , Hong Seok Won , Lee Jaesang , Yong Kijung , Kim Wooyul
Published: September 2019

To overcome the conventional limitation of TiO2 disinfection being ineffective under light-free conditions, TiO2 nanowire films (TNWs) were prepared and applied to bacterial disinfection under dark and UV illumination. TNW exhibited much higher antibacterial efficiencies against Escherichia coli (E. coli) under dark and UV illumination conditions compared to TiO2 nanoparticle film (TNP) which was almost inactive in the dark, highlighting the additional contribution of the physical interaction between bacterial membrane and NWs. Such a physical contact-based antibacterial activity was related to the NW geometry such as diameter, length, and density. The combined role of physical puncture and photocatalytic action in the mechanism underlying higher bactericidal effect of TNW was systematically examined by TEM, SEM, FTIR, XPS, and potassium ion release analyses. Moreover, TNW revealed antimicrobial activities in a broad spectrum of microorganisms including Staphylococcus aureus and MS2 bacteriophage, antibiofilm properties, and good material stability. Overall, we expect that the free-standing and antimicrobial TNW is a promising agent for water disinfection and biomedical applications in the dark and/or UV illumination.
The inhibitory effects of four inhibitors on the solution adsorption of CaCO3 on Fe3O4 and Fe2O3 surfaces
Authors: Li Changjun , Zhang Chaoyi , Zhang Wuping
Published: September 2019

This study presents the inhibitory effects of four scale inhibitors, including polyacrylic acid (PAA), hydrolyzed polymaleic anhydride (HPMA), polyepoxysuccinic acid (PESA) and polyaspartic acid (PASP), on the adsorption of CaCO3 on the surfaces of Fe3O4 and Fe2O3. Samples were characterized using SEM and EDS and the average atomic number ratios of Ca/Fe were calculated. Inhibition effects followed the trend: PESA > PAA > PASP > HPMA and PESA > PASP > HPMA > PAA for Fe3O4 and Fe2O3, respectively. Molecular dynamics simulations based on the adsorption model of the scale inhibitor on the surface and calculations of the adsorption energy between the scale inhibitor molecule and the surface revealed that the relatively high scale inhibitory effect is due to low adsorption energy between the inhibitor molecule and the surface. Density Functional Theory (DFT) calculations of the model after adsorption revealed that the relatively low adsorption energy depends on the number of H-O bonds formed as well as those with higher Mulliken population values between the scale inhibitor and the surface.
Identification of Fusarium oxysporum f. sp. cubense tropical race 4 (Foc TR4) responsive miRNAs in banana root
Authors: Cheng Chunzhen , Liu Fan , Sun Xueli , Tian Na , Mensah Raphael Anue , Li Dan , Lai Zhongxiong
Published: September 2019

The fungus, Fusarium oxysporum f. sp. cubense (Foc), is the causal agent of Fusarium wilt disease, which is the most serious disease affecting the whole banana industry. Although extensive studies have characterized many Foc-responsive genes in banana, the molecular mechanisms on microRNA level underlying both banana defense and Foc pathogenesis are not yet fully understood. In this study, we aimed to reveal the role of miRNA during banana-Foc TR4 interactions. Illumina sequencing was used to reveal the changes in small RNAome profiles in roots of Foc TR4-inoculated ‘Tianbaojiao’ banana (Musa acuminata cv. Tianbaojiao) in the early stages (i.e. 5 h, 10 h and 25 h post Foc TR4 inoculation, respectively). The expression of some differentially expressed (DE) miRNAs and their predicted target genes was studied by using quantitative real time PCR (qRT-PCR). Totally, 254 known miRNAs from 31 miRNA families and 28 novel miRNAs were identified. Differential expression analysis identified 84, 77 and 74 DE miRNAs at the three respective Foc TR4 infection time points compared with control healthy banana (CK). GO and KEGG analysis revealed that most of the predicted target genes of DE miRNAs (DET) were implicated in peroxisome, fatty acid metabolism, auxin-activated signaling pathway, sulfur metabolism, lignin metabolism and so on, and many known stress responsive genes were identified to be DETs. Moreover, expected inverse correlations were confirmed between some miRNA and their corresponding target genes by using qRT-PCR analysis. Our study revealed that miRNA play important regulatory roles during the banana-Foc TR4 interaction by regulating peroxidase, fatty acid metabolism, auxin signaling, sulfur metabolism, lignin metabolism related genes and many known stress responsive genes.
Concurrent targeting of BMI1 and CDK4/6 abrogates tumor growth in vitro and in vivo
Authors: Elango Ramesh , Vishnubalaji Radhakrishnan , Manikandan Muthurangan , Binhamdan Sarah Ibrahim , Siyal Abdul-Aziz , Alshawakir Yasser A. , Alfayez Musaad , Aldahmash Abdullah , Alajez Nehad M.
Published: September 2019

Despite recent advances in cancer management and therapy, resistance to cytotoxic medications remains a major clinical challenge; hence, combination-based anti-cancer treatment regimens are currently gaining momentum. PTC-209 reduced BMI1 protein expression, while palbociclib inhibited CDK4, Rb, and pRbSer795 protein expression in MDA-MB-231 cells. PTC-209 and palbociclib exhibited dose-dependent cytotoxic effects against MDA-MB-231 (breast), HCT116 (colon), and PC-3 (prostate) models, which was more profound in the combination group. Transcriptome and pathway analyses revealed inhibition of insulin signaling, focal adhesion, DNA damage response, and Wnt/pluripotency signaling pathways as well as cell proliferation, and cellular movement functional categories by PTC-209. Transcriptome and pathway analyses revealed palbociclib to mainly affect cell cycle progression and survival. Upstream analysis identified several networks affected by PTC-209 (EZH2, IFNB1, TRIB3, EGFR, SREBF1, IL1A, ERG, TGFB1, MAX, MNT) and palbociclib (RABL6, MITF, RARA, TAL1, AREG, E2F3, FOXM1, ESR1, ERBB2, and E2F). PTC-209 and palbociclib reduced colony and sphere formation, cell migration, and cell viability, which was further enhanced in the combination group. Concordantly, combination of PTC-209 and palbociclib exhibited more profound effects on MDA-MB-231 tumor formation in vivo. Our data suggest concurrent targeting of BMI1 and CDK4/CDK6 might provide novel therapeutic opportunity for breast, colon, and prostate cancer.
Characterization of drug resistance and genetic diversity of Plasmodium falciparum parasites from Tripura, Northeast India
Authors: Patgiri S. J. , Sarma K. , Sarmah N. , Bhattacharyya N. , Sarma D. K. , Nirmolia T. , Bhattacharyya D. R. , Mohapatra P. K. , Bansal D. , Bharti P. K. , Sehgal R. , Mahanta J. , Sultan A. A.
Published: September 2019

Monitoring of anti-malarial drug resistance is vital in Northeast India as this region shares its international border with Southeast Asia. Genetic diversity of Plasmodium parasites regulates transmission dynamics, disease severity and vaccine efficacy. P. falciparum chloroquine resistance transporter (Pfcrt), multidrug resistance-1 (Pfmdr-1) and kelch 13 propeller (PfK-13) genes which govern antimalarial drug resistance and three genetic diversity markers, merozoite surface protein 1 and 2 (Pfmsp-1, Pfmsp-2) and glutamate rich protein (Pfglurp) were evaluated from Tripura, Northeast India using molecular tools. In the Pfcrt gene, 87% isolates showed triple mutations at codons M74I, N75E and K76T. 12.5% isolates in Pfmdr-1 gene showed mutation at N86Y. No polymorphism in PfK-13 propeller was found. Polyclonal infections were observed in 53.85% isolates and more commonly in adults (p = 0.0494). In the Pfmsp-1 locus, the K1 allelic family was predominant (71.2%) followed by the 3D7/IC family (69.2%) in the Pfmsp-2 locus. RII region of Pfglurp exhibited nine alleles with expected heterozygosity of 0.85. The multiplicity of infection for Pfmsp-1, Pfmsp-2 and Pfglurp were 1.56, 1.31 and 1.06 respectively. Overall, the study demonstrated a high level of chloroquine resistance and extensive parasite diversity in the region, necessitating regular surveillance in this population group.
Circulation of low pathogenic avian influenza (LPAI) viruses in wild birds and poultry in the Netherlands, 2006–2016
Authors: Bergervoet Saskia A. , Pritz-Verschuren Sylvia B. E. , Gonzales Jose L. , Bossers Alex , Poen Marjolein J. , Dutta Jayeeta , Khan Zenab , Kriti Divya , van Bakel Harm , Bouwstra Ruth , Fouchier Ron A. M. , Beerens Nancy
Published: September 2019

In this study, we explore the circulation of low pathogenic avian influenza (LPAI) viruses in wild birds and poultry in the Netherlands. Surveillance data collected between 2006 and 2016 was used to evaluate subtype diversity, spatiotemporal distribution and genetic relationships between wild bird and poultry viruses. We observed close species-dependent associations among hemagglutinin and neuraminidase subtypes. Not all subtypes detected in wild birds were found in poultry, suggesting transmission to poultry is selective and likely depends on viral factors that determine host range restriction. Subtypes commonly detected in poultry were in wild birds most frequently detected in mallards and geese. Different temporal patterns in virus prevalence were observed between wild bird species. Virus detections in domestic ducks coincided with the prevalence peak in wild ducks, whereas virus detections in other poultry types were made throughout the year. Genetic analysis of the surface genes demonstrated that most poultry viruses were related to locally circulating wild bird viruses, but no direct spatiotemporal link was observed. Results indicate prolonged undetected virus circulation and frequent reassortment events with local and newly introduced viruses within the wild bird population. Increased knowledge on LPAI virus circulation can be used to improve surveillance strategies.
The importance of the quaternary structure to represent conformational ensembles of the major Mycobacterium tuberculosis drug target
Authors: Tarabini Renata Fioravanti , Timmers Luís Fernando Saraiva Macedo , Sequeiros-Borja Carlos Eduardo , Norberto de Souza Osmar
Published: September 2019

Flexibility is a feature intimately related to protein function, since conformational changes can be used to describe environmental changes, chemical modifications, protein-protein and protein-ligand interactions. In this study, we have investigated the influence of the quaternary structure of 2-trans-enoyl-ACP (CoA) reductase or InhA, from Mycobacterium tuberculosis, to its flexibility. We carried out classical molecular dynamics simulations using monomeric and tetrameric forms to elucidate the enzyme’s flexibility. Overall, we observed statistically significant differences between conformational ensembles of tertiary and quaternary structures. In addition, the enzyme’s binding site is the most affected region, reinforcing the importance of the quaternary structure to evaluate the binding affinity of small molecules, as well as the effect of single point mutations to InhA protein dynamics.
Insights on the evolution of the living Great Amazon Reef System, equatorial West Atlantic
Authors: de Mahiques Michel Michaelovitch , Siegle Eduardo , Francini-Filho Ronaldo Bastos , Thompson Fabiano Lopes , de Rezende Carlos Eduardo , Gomes José Diego , Asp Nils Edvin
Published: September 2019

The Great Amazon Reef (GARS) is an extensive mesophotic reef ecosystem between Brazil and the Caribbean. Despite being considered as one of the most important mesophotic reef ecosystems of the South Atlantic, recent criticism on the existence of a living reef in the Amazon River mouth was raised by some scientists and politicians. The region is coveted for large-scale projects for oil and gas exploration. Here, we add to the increasing knowledge about the GARS by exploring evolutionary aspects of the reef using primary and secondary information on radiocarbon dating from carbonate samples. The results obtained demonstrate that the reef is alive and growing, with living organisms inhabiting the GARS in its totality. Additional studies on net reef growth, habitat diversity, and associated biodiversity are urgently needed to help reconcile economic activities and biodiversity conservation.
Post-imprinting modification based on multilevel mesoporous silica for highly sensitive molecularly imprinted fluorescent sensors
Authors: Lu Hongzhi , Wei Di , Zheng Rongkun , Xu Shoufang
Published: September 2019

p-MIFPs based on multilevel mesoporous silica exhibited improved sensitivity as compared to those prepared by the doping method due to their well-maintained fluorescence intensity and low background.
Bismuth oxyiodide microflower-derived catalysts for efficient CO2 electroreduction in a wide negative potential region
Authors: Liu Peng Fei , Zu Meng Yang , Zheng Li Rong , Yang Hua Gui
Published: September 2019

BiOI microflower derived electrocatalysts, consisting of oxidized Bi2O2CO3 and metallic Bi with local shortened inter-layer Bi–Bi bonds, showed over 90% formate faradaic efficiency in a wide negative potential region.
A facile oxygen-17 NMR method to determine effective viscosity in dilute, molecularly crowded and confined aqueous media
Authors: Rezaei-Ghaleh Nasrollah , Munari Francesca , Becker Stefan , Assfalg Michael , Griesinger Christian
Published: September 2019

This NMR probe of water dynamics enables viscosity determination in concentrated and crowded solutions and allows quantifying internal fluidity within biological condensates.
Visible light-driven cross-coupling reactions of alkyl halides with phenylacetylene derivatives for C(sp3)–C(sp) bond formation catalyzed by a B12 complex
Authors: Chen Li , Kametani Yohei , Imamura Kenji , Abe Tsukasa , Shiota Yoshihito , Yoshizawa Kazunari , Hisaeda Yoshio , Shimakoshi Hisashi
Published: September 2019

Visible light-driven cross-coupling reactions of alkyl halides with phenylacetylene and its derivatives catalyzed by the cobalamin derivative (B12) with the [Ir(dtbbpy)(ppy)2]PF6 photocatalyst at room temperature are reported.
Highly efficient cyclotrimerization of isocyanates using N-heterocyclic olefins under bulk conditions
Authors: Li Chengkai , Zhao Wuchao , He Jianghua , Zhang Yuetao
Published: September 2019

N-Heterocyclic olefins promoted highly efficient, organocatalytic cyclotrimerization of isocyanates into isocyanurates under bulk conditions.
Tungsten–platinum μ-carbido and μ-methylidyne complexes
Authors: Frogley Benjamin J. , Hill Anthony F.
Published: September 2019

The lithiocarbyne [W]CLi ([W] = W(CO)2(Tp*); Tp* = tris(dimethylpyrazolyl)borate) with divalent platinum complexes afford access to μ-carbido, μ-methylidyne and carbyne-based metallo-ligand complexes.
Stoichiometric and electrocatalytic production of hydrogen peroxide driven by a water-soluble copper(ii) complex
Authors: Oh Hana , Choi Suhyuk , Kim Joo Yeon , Ahn Hyun S. , Hong Seungwoo
Published: September 2019

Herein, a water-soluble molecular copper complex was investigated as a catalyst for O2 reduction in both water and an organic solvent.
Effective neutralization of chemical warfare agents (HD, VX) by Me-DABCOF: a small molecule with dual action
Authors: Karton-Lifshin Naama , Katalan Shahaf , Columbus Ishay , Chen Ravit , Yehezkel Lea , Madmon Moran , Dagan Shai , Elias Shlomi , Fridkin Gil , Zafrani Yossi
Published: September 2019

Me-DABCOF, a mild universal, non-corrosive, water-soluble decontamination agent that effectively neutralizes chemical warfare agents (HD, VX).
A polyether amine modified metal organic framework enhanced the CO2 adsorption capacity of room temperature porous liquids
Authors: Zhao Xuemei , Yuan Yihui , Li Peipei , Song Zenjun , Ma Chunxin , Pan Duo , Wu Shide , Ding Tao , Guo Zhanhu , Wang Ning
Published: September 2019

A room-temperature MOF-based porous liquid was prepared and showed an outstanding CO2 uptake capacity.
A pyrazine core-based luminescent Zr(iv) organic framework for specific sensing of Fe3+, picric acid and Cr2O72−
Authors: Gogoi Chiranjib , Reinsch Helge , Biswas Shyam
Published: September 2019

A new Zr-MOF incorporating a pyrazine core-based tetracarboxylate was used for selective fluorometric sensing of Fe3+, picric acid and Cr2O72−with outstanding sensitivity.
Charge transfer dynamics in chlorophyll-based biosolar cells
Authors: Zhao Wenjie , Wang Li , Pan Lingyun , Duan Shengnan , Tamai Naoto , Sasaki Shin-ichi , Tamiaki Hitoshi , Sanehira Yoshitaka , Wei Yingjin , Chen Gang , Wang Xiao-Feng
Published: September 2019

The charge dissociation and transfer could occur at the interface of both chlorophyll species in chlorophyll-based bio-solar cells.
Synthesis, crystal and electronic structures of Pt-rich phosphides EuPt3P and EuPt6P2
Authors: Plokhikh Igor V. , Khan Nazir , Tsirlin Alexander A. , Kuznetsov Alexey N. , Charkin Dmitri O. , Shevelkov Andrei V. , Pfitzner Arno
Published: September 2019

Two new compounds, EuPt6P2and EuPt3P, the analogues of Sr–Pt–P superconductors, have been prepared.
Elucidating cation effects in homogeneously catalyzed formic acid dehydrogenation
Authors: Govindarajan Nitish , Meijer Evert Jan
Published: September 2019

In this work, we use density functional theory based molecular dynamics with an explicit description of methanol solvent to study the effect of cations on formic acid dehydrogenation catalyzed by a ruthenium PNP pincer complex (RuPNP).
Photochemical reactivity of phenyl (methyl-tetrazolyl) ketone – hydrogen atom transfer vs. electron transfer
Authors: Fréneau Maxime , Lefebvre Corentin , Gómez Fernández Mario Andrés , Richard Claire , Hoffmann Norbert
Published: September 2019

A novel photochemical electron transfer step is observed when a heteroaromatic substituent is present in an aromatic ketone.
Theoretical insights into the competitive metal bioaffinity of lactoferrin as a metal ion carrier: a DFT study
Authors: Honarparvar Bahareh , Kanchi Suvardhan , Bisetty Krishna
Published: September 2019

Metal–protein complexes, specifically lactoferrin (Lf), an iron-binding glycoprotein found naturally in milk and several other body fluids play a pivotal role in all living organisms.
A ureido-pyrimidone based aspartic acid derivative: synthesis and pH-responsive self-assembly in water
Authors: Jiang Hongkun , Kan Lei , Wang Zhipeng , Zhang Xinyue , Wang Guojun , Gao Shan , Ma Ning , Wei Hao
Published: September 2019

The pH-responsive UPy-aspartic acid aggregates can act as templates for the controlled synthesis of silver nanostructures.
Lithium ion doping triggered splendid quantum efficiency and thermal stability in Li2SrSiO4:xEu2+ phosphors for optical thermometry and high luminous efficiency white-LED
Authors: Zhou Luhui , Du Peng , Li Weiping , Luo Laihui
Published: September 2019

Eu2+/Li+-Codoped Li2SrSiO4 yellow phosphors with enhanced thermal stability and high quantum efficiency for simultaneous white-LED and thermometry applications.
Bacterial natural products in the fight against mosquito-transmitted tropical diseases
Authors: Saraiva Raúl G. , Dimopoulos George
Published: September 2019

In this review, we discuss the merits of using bacterial metabolites – including those secreted by the mosquito microbiota – to combat malaria and filariasis, as well as dengue fever and other arboviral diseases.
Antenna array-enhanced attenuated total reflection IR analysis in an aqueous solution
Authors: Li Jian , Yan Zhendong , Li Jin , Wang Zhenlin , Morrison William , Xia Xing-Hua
Published: September 2019

We presented a simple approach to the fabrication of large-scale triangle gold antenna array with tunable resonance that can be used as enhanced IR substrate for monitoring interfacial events in an aqueous solution.
Control of the stepwise assembly–disassembly of DNA origami nanoclusters by pH stimuli-responsive DNA triplexes
Authors: Yang Shuo , Liu Wenyan , Wang Risheng
Published: September 2019

We demonstrate the pH-regulated, multistep self-assembly of DNA nanostructures by employing DNA triplexes as dynamic linkers in a stepwise, selective, and reversible fashion.
Polymeric tungsten carbide nanoclusters: structural evolution, ligand modulation, and assembled nanomaterials
Authors: Li Jun , Huang Hai-Cai , Wang Jing , Zhao Yang , Chen Jing , Bu Yu-Xiang , Cheng Shi-Bo
Published: September 2019

Theoretical calculations reveal the intriguing superhalogen–superalkali transformation phenomenon and the 3-D cubic honeycomb geometry of the W4C4 cluster solid.
PEGylated surfaces for the study of DNA–protein interactions by atomic force microscopy
Authors: Akpinar Bernice , Haynes Philip J. , Bell Nicholas A. W. , Brunner Katharina , Pyne Alice L. B. , Hoogenboom Bart W.
Published: September 2019

Co-block polymer surfaces provide a platform on which to visualize DNA–protein interactions by atomic force microscopy at nanometre resolution.
The role of gold oxidation state in the synthesis of Au-CsPbX3 heterostructure or lead-free Cs2AuIAuIIIX6 perovskite nanoparticles
Authors: Rodríguez Ortiz Freddy A. , Roman Benjamin J. , Wen Je-Ruei , Mireles Villegas Noel , Dacres David F. , Sheldon Matthew T.
Published: September 2019

The oxidation state of the Au ions determines whether cation exchange or gold deposition occurs when an Au salt is added to solutions of all-inorganic cesium lead halide perovskite nanocrystals.
2D and 3D nanostructuring strategies for thermoelectric materials
Authors: Novak Travis G. , Kim Kisun , Jeon Seokwoo
Published: September 2019

Recent progress and research trends for 2D and 3D nanostructures in thermoelectric applications.
Armchair shaped polymeric nitrogen N8 chains confined in h-BN matrix at ambient conditions: stability and vibration analysis
Authors: Liu Shuang , Liu Bo , Yao Zhen , Liu Shijie , Shi Xuhan , Niu Shifeng , Liu Bingbing
Published: September 2019

Armchair shaped polymeric nitrogen N8 chains confined in h-BN matrix is stable at ambient conditions.
Design of GO–Ag-functionalized Fe3O4@CS composite for magnetic adsorption of rhodamine B
Authors: Xu Lili , Suo Hongbo , Liu Renmin , Liu Houmei , Qiu Hongdeng
Published: September 2019

A novel magnetic composite modified with chitosan, graphene oxide and Ag nanoparticles, was successfully prepared as an efficient adsorbent for detection of rhodamine B combining with fluorescence technique.
Metabolic profiling reveals the heterogeneity of vascular endothelial function phenotypes in individuals at extreme cardiovascular risk
Authors: Mao Baoyu , Yi Yanshan , Mo Qiuyan , Yang Chunxiu , Zhong Qiuan
Published: September 2019

This metabolomics analysis has revealed the maladapted vascular endothelial metabolism across individuals with heterogeneous vascular endothelial function in the context of extreme cardiovascular risk.
Preparation and 3D-printing of highly conductive polylactic acid/carbon nanotube nanocomposites via local enrichment strategy
Authors: Shi Shaohong , Chen Yinghong , Jing Jingjing , Yang Lu
Published: September 2019

A novel local enrichment strategy was adopted to fabricate the highly conductive carbon nanotube/polylactic acid 3D-printed parts.
A vanadate-based white light emitting luminescent material for temperature sensing
Authors: Zhang Nannan , Li Jie , Wang Jianrong , Shi Ruixia , Chen Ling , Zhang Aiyu , Yang Ping
Published: September 2019

White-light emitting CMV:Eu3+ sheets show a linear color variation depending on the ambient temperature.
A flexible self-folding receptor for coronene
Authors: Lozano David , Álvarez-Yebra Rubén , López-Coll Ricard , Lledó Agustí
Published: September 2019

A hydrogen-bond stabilized cavitand receptor for coronene that has an unprecedented conformational flexibility and adapts to the guest's shape.
A simulation study of aggregation mediated by production of cohesive molecules
Authors: Melaugh Gavin , Marenduzzo Davide , Morozov Alexander , Allen Rosalind J.
Published: September 2019

In this work we use computer simulations to investigate whether the production of cohesive molecules influences cellular aggregation.
Detachment of a fluid membrane from a substrate and vesiculation
Authors: Noguchi Hiroshi
Published: September 2019

The detachment dynamics of a fluid membrane with isotropic spontaneous curvature from a flat substrate are studied by using meshless membrane simulations.
Selective surface functionalization generating site-isolated Ir on a MnOx/N-doped carbon composite for robust electrocatalytic water oxidation
Authors: Yan Ning , Detz Remko J. , Govindarajan Nitish , Koelewijn Jacobus M. , Hua Bin , Li Peng , Meijer Evert Jan , Reek Joost N. H.
Published: September 2019

Through designing the precursor complex, single Ir atoms can be selectively accommodated in hybrid materials, providing higher stability and activity in electrocatalysis.
Ultrathin NiCo2O4 nanosheets with dual-metal active sites for enhanced solar water splitting of a BiVO4 photoanode
Authors: Feng Chenchen , Zhou Qi , Zheng Bin , Cheng Xiang , Zhang Yajun , Bi Yingpu
Published: September 2019

Spinel-structured NiCo2O4 nanosheets with dual-metal active sites, an ultrathin structure, and abundant oxygen vacancies were decorated for the first time on a BiVO4 photoanode for highly efficient PEC water oxidation.
Tetraphenylethylene tethered phenothiazine-based double-anchored sensitizers for high performance dye-sensitized solar cells
Authors: Li Chun-Ting , Kuo Yi-Ling , Kumar CH. Pavan , Huang Pei-Ting , Lin Jiann T.
Published: September 2019

The YL4 dye exhibits DSSC efficiencies of 10.87% (1 sun) and 27.54% (187 lux) due to effective double layered shelters (the dianchor skeleton and clogged TPE units) for blockade of dark current.
Template-oriented synthesis of hydroxyapatite nanoplates for 3D bone printing
Authors: Doustkhah Esmail , Najafi Zare Reza , Yamauchi Yusuke , Taheri-Kafrani Asghar , Mohtasham Hamed , Esmat Mohamed , Ide Yusuke , Fukata Naoki , Rostamnia Sadegh , Sadeghi Morteza H. , Assadi M. Hussein N.
Published: September 2019

The design of hydroxyapatite (HA) nanoarchitecture is critical for fabricating artificial bone tissues as it dictates the biochemical and the mechanical properties of the final product.
Unconventional superconductivity in 3d rocksalt transition metal carbides
Authors: Szymanski N. J. , Khatri I. , Amar J. G. , Gall D. , Khare S. V.
Published: September 2019

Through calculation and analysis of the dynamic and electronic properties of 3d rocksalt transition metal carbides, we identify MnC as a novel material displaying ferromagnetic superconductivity mediated by minority-spin-triplet Cooper pairs.
Leucine 232 and hydrophobic residues at the ribosomal P stalk binding site are critical for biological activity of ricin
Authors: Zhou Yijun , Li Xiao-Ping , Kahn Jennifer N. , McLaughlin John E. , Tumer Nilgun E.
Published: September 2019

Ricin interacts with the ribosomal P stalk to cleave a conserved adenine from the α-sarcin/ricin loop (SRL) of the rRNA. Ricin toxin A chain (RTA) uses Arg235 as the most critical arginine for binding to the P stalk through electrostatic interactions to facilitate depurination. Structural analysis showed that a P2 peptide binds to a hydrophobic pocket on RTA and the last two residues form hydrogen bonds with Arg235. The importance of hydrophobic residues relative to Arg235 in the interaction with the P stalk in vivo and on the toxicity of RTA is not known. Here, we mutated residues in the hydrophobic pocket to analyze their contribution to toxicity and depurination activity in yeast and in mammalian cells. We found that Leu232, Tyr183 and Phe240 contribute cumulatively to toxicity, with Leu232 being the most significant. A quadruple mutant, Y183A/L232A/R235A/F240A, which combined mutations in critical hydrophobic residues with R235A completely abolished the activity of RTA, indicating that Arg235 and hydrophobic residues are required for full biological activity. Y183A and F240A mutants had reduced activity on RNA, but higher activity on ribosomes compared with R235A in vitro, suggesting that they could partially regain activity upon interaction with ribosomes. These results expand the region of interaction between RTA and the P stalk critical for cellular activity to include the hydrophobic pocket and provide the first evidence that interaction of P stalk with the hydrophobic pocket promotes a conformational rearrangement of RTA to correctly position the active site residues for catalytic attack on the SRL.
A novel antimicrobial polymer efficiently treats multidrug-resistant MRSA-induced bloodstream infection
Authors: Chen Xu , Lou Weiyang , Liu Jingxing , Ding Bisha , Fan Weimin , Hong Jun
Published: September 2019

The present study aimed to ascertain if polymer 2a, a novel synthesized antimicrobial polyionene, could treat methicillin-resistant Staphylococcus aureus (MRSA)-induced bloodstream infection. The minimum inhibitory concentration (MIC) of polymer 2a against MRSA was detected. A time-kill assay was employed to determine the killing kinetic of polymer 2a. Potential antimicrobial mechanisms of polymer 2a, including membrane disruption and programmed cell death (PCD), were explored. A resistance development assay was introduced to determine the propensity of polymer 2a toward resistance against MRSA. A mouse model of MRSA bacteremia was established to assess in vivo efficacy of polymer 2a. Furthermore, in vivo toxicity of polymer 2a was also evaluated through injection by tail vein. Polymer 2a exhibited more superior antimicrobial activity and faster killing kinetic than the control antibiotics against clinically isolated MRSA strains. Polymer 2a resulted in an obvious leakage of cellular components (concentration more than 1× MIC). mRNA expression of PCD pathway-related gene (recA) was significantly up-regulated in the presence of polymer 2a with low concentration (concentration less than 1× MIC). Repeated use of polymer 2a did not lead to drug resistance. In a MRSA-induced bloodstream infection mouse model, polymer 2a displayed superior therapeutic efficacy with negligible systemic toxicity. Moreover, polymer 2a treatment by tail vein could evidently reduce MRSA counts in blood and major organs and markedly improve living conditions. In conclusion, all these findings presented in this work convincingly suggested that polymer 2a may be a promising therapeutic alternative for treating MRSA-induced infections, especially bloodstream infection.
New criteria for the selection of galaxy close pairs from cosmological simulations: evolution of the major and minor merger fraction in MUSE deep fields
Authors: Ventou E. , Contini T. , Bouché N. , Epinat B. , Brinchmann J. , Inami H. , Richard J. , Schroetter I. , Soucail G. , Steinmetz M. , Weilbacher P. M.
Published: September 2019

It remains a challenge to assess the merger fraction of galaxies at different cosmic epochs in order to probe the evolution of their mass assembly. Using the ILLUSTRIS cosmological simulation project, we investigate the relation between the separation of galaxies in a pair, both in velocity and projected spatial separation space, and the probability that these interacting galaxies will merge in the future. From this analysis, we propose a new set of criteria to select close pairs of galaxies along with a new corrective term to be applied to the computation of the galaxy merger fraction. We then probe the evolution of the major and minor merger fraction using the latest Multi-Unit Spectroscopic Explorer (MUSE) deep observations over the Hubble Ultra Deep Field, Hubble Deep Field South, COSMOS-Gr30, and Abell 2744 regions. From a parent sample of 2483 galaxies with spectroscopic redshifts, we identify 366 close pairs spread over a large range of redshifts (0.2 <  z <  6) and stellar masses (107 − 1011M⊙). Using the stellar mass ratio between the secondary and primary galaxy as a proxy to split the sample into major, minor, and very minor mergers, we found a total of 183 major, 142 minor, and 47 very minor close pairs corresponding to a mass ratio range of 1:1–1:6, 1:6–1:100, and lower than 1:100, respectively. Due to completeness issues, we do not consider the very minor pairs in the analysis. Overall, the major merger fraction increases up to z ≈ 2−3 reaching 25% for pairs where the most massive galaxy has a stellar mass M⋆ ≥ 109.5 M⊙. Beyond this redshift, the fraction decreases down to ∼5% at z ≈ 6. The major merger fraction for lower-mass primary galaxies with M⋆ ≤ 109.5 M⊙ seems to follow a more constant evolutionary trend with redshift. Thanks to the addition of new MUSE fields and new selection criteria, the increased statistics of the pair samples allow us to significantly shorten the error bars compared to our previous analysis. The evolution of the minor merger fraction is roughly constant with cosmic time, with a fraction of 20% at z <  3 and a slow decrease to 8−13% in the redshift range 3 ≤ z ≤ 6.
Nature of a shell of young stars in the outskirts of the Small Magellanic Cloud
Authors: Martínez-Delgado David , Katherina Vivas Anna , Grebel Eva K. , Gallart Carme , Pieres Adriano , Bell Cameron P. M. , Zivick Paul , Lemasle Bertrand , Clifton Johnson Lent , Carballo-Bello Julio A. , Noël Noelia E. D. , Cioni Maria-Rosa L. , Choi Yumi , Besla Gurtina , Schmidt Judy , Zaritsky Dennis , Gruendl Robert A. , Seibert Mark , Nidever David , Monteagudo Laura , Monelli Mateo , Hubl Bernhard , van der Marel Roeland , Ballesteros Fernando J. , Stringfellow Guy , Walker Alistair , Blum Robert , Bell Eric F. , Conn Blair C. , Olsen Knut , Martin Nicolas , Chu You-Hua , Inno Laura , Boer Thomas J. L. , Kallivayalil Nitya , De Leo Michele , Beletsky Yuri , Neyer Fabian , Muñoz Ricardo R.
Published: September 2019

Context. Understanding the evolutionary history of the Magellanic Clouds requires an in-depth exploration and characterization of the stellar content in their outer regions, which ultimately are key to tracing the epochs and nature of past interactions.

Aims. We present new deep images of a shell-like overdensity of stars in the outskirts of the Small Magellanic Cloud (SMC). The shell, also detected in photographic plates dating back to the fifties, is located at ∼1.9° from the center of the SMC in the north-east direction.

Methods. The structure and stellar content of this feature were studied with multiband, optical data from the Survey of the MAgellanic Stellar History (SMASH) carried out with the Dark Energy Camera on the Blanco Telescope at Cerro Tololo Inter-American Observatory. We also investigate the kinematic of the stars in the shell using the Gaia Data Release 2.

Results. The shell is composed of a young population with an age ∼150 Myr, with no contribution from an old population. Thus, it is hard to explain its origin as the remnant of a tidally disrupted stellar system. The spatial distribution of the young main-sequence stars shows a rich sub-structure, with a spiral arm-like feature emanating from the main shell and a separated small arc of young stars close to the globular cluster NGC 362. We find that the absolute g-band magnitude of the shell is Mg, shell = −10.78 ± 0.02, with a surface brightness of μg, shell = 25.81 ± 0.01 mag arcsec−2.

Conclusion. We have not found any evidence that this feature is of tidal origin or a bright part of a spiral arm-like structure. Instead, we suggest that the shell formed in a recent star formation event, likely triggered by an interaction with the Large Magellanic Cloud and or the Milky Way, ∼150 Myr ago.
The hierarchical triple nature of the former red nova precursor candidate KIC 9832227
Authors: Kovacs Geza , Hartman Joel D. , Bakos Gáspár Á.
Published: September 2019

We revisit the issue of period variation of the recently claimed red nova precursor candidate KIC 9832227. By using the data gathered during the main mission of the Kepler satellite, and data collected by ground-based wide-field surveys and other monitoring programs (such as ASAS-SN), we find that the currently available timing data strongly support a model consisting of the known W UMa binary and a distant low-mass companion with an orbital period of ∼13.5 years. The period of the W UMa component exhibits a linear period decrease at a rate of (1.10 ± 0.05) × 10−6 days per year, within the range of many other similar systems. This rate of decrease is several orders of magnitude lower than that of V1309 Sco, the first (and so far the only) well-established binary precursor of a nova observed a few years before the outburst. The high-fidelity fit of the timing data and the conformity of the derived minimum mass of (0.38 ± 0.02) M⊙ of the outer companion from these data with the limit posed by the spectroscopic non-detection of this component are in agreement with the suggested hierarchical nature of this system.
Improving the design of piles driven in chalk through the ALPACA research project
Authors: Jardine Richard James , Buckley Róisín Marie , Byrne Byron Walter , Kontoe Stavroula , McAdam Ross Alexander , Andolfsson Thomas , Liu Ting Fa , Schranz Fabian , Vinck Ken
Published: September 2019

Chalk is present under large areas of NW Europe as a low-density, porous, weak carbonate rock. Large numbers of offshore wind turbines, bridges and port facilities rely on piles driven in chalk. Current European practice assumes ultimate shaft resistances that appear low in comparison with the Chalk’s unconfined compression strength and CPT cone resistance ranges and can impact very significantly on project economics. Little guidance is available on pile driveability, set-up or lateral resistance in chalk, or on how piles driven in chalk can sustain axial or lateral cyclic loading. This paper describes the ALPACA (Axial-Lateral Pile Analysis for Chalk Applying multi-scale field and laboratory testing) project funded by EPSRC and Industry that is developing new design guidance through comprehensive field testing at a well-characterised low-to-medium density test site, supported by analysis of other tests. Field experiments on 36 driven piles, sixteen of which employ high resolution fibre-optic strain gauges, is supported by advanced laboratory andin situtesting, as well as theoretical analysis. The field work commenced in October 2017 and was largely complete in May 2019.
Complexity Estimation of Infrared Image Sequence for Automatic Target Track
Authors: Wang Xiaotian , Ma Wanchao , Zhang Kai , Li Shaoyi , Yan Jie
Published: September 2019

Infrared image complexity metrics are an important task of automatic target recognition and track performance assessment. Traditional metrics, such as statistical variance and signal-to-noise ratio, targeted to single frame infrared image. However, there are some studies on the complexity of infrared image sequences. For this problem, a method to measure the complexity of infrared image sequence for automatic target recognition and track is proposed. Firstly, based on the analysis of the factors affecting the target recognition and track, the specific reasons which background influences target recognition and track are clarified, and the method introduces the feature space into confusion degree of target and occultation degree of target respectively. Secondly, the feature selection is carried out by using the grey relational method, and the feature space is optimized, so that confusion degree of target and occultation degree of target are more reasonable, and statistical formula F1-Score is used to establish the relationship between the complexity of single-frame image and the two indexes. Finally, the complexity of image sequence is not a linear sum of the single-frame image complexity. Target recognition errors often occur in high-complexity images and the target of low-complexity images can be correctly recognized. So the neural network Sigmoid function is used to intensify the high-complexity weights and weaken the low-complexity weights for constructing the complexity of image sequence. The experimental results show that the present metric is more valid than the other, such as sequence correlation and inter-frame change degree, has a strong correlation with the automatic target track algorithm, and which is an effective complexity evaluation metric for image sequence.
Intercepting Higher-Speed Targets Using Generalized Relative Biased Proportional Navigation
Authors: Wang Ronggang , Tang Shuo
Published: September 2019

To intercept a higher-speed target in the terminal guidance phase, this paper proposes a generalized relative biased proportional navigation (BPN) law. In order to enlarge the capture domain of the classical proportional navigation (PN) law and make full use of the maneuverability of a missile, the paper designs time-varying navigation coefficients; thus the modified PN guidance law integrates the advantages of the PN guidance law with those of the retro-PN guidance law. In order to intercept high-speed targets with impact angle constraints, the relative BPN law is introduced, and the impact angle is achieved by controlling the relative flight-path angle. In order to improve the performance of the guidance law for intercepting higher-speed maneuvering targets, some compensation measures are designed for guidance commands. Extensive simulations are conducted to verify the design features of the proportional navigation law.
Optimization of Secondary Sources Configuration in Two-Dimensional Space Based on Sound Field Decomposition and Sparsity-Inducing Regularization
Authors: Chen Kean , Xu Jian , Wang Lei , Zhou Bing
Published: September 2019

During the design of transducers configuration for an active noise control system, current optimization methods need to predetermine the error sensors configuration, which significantly increases the workload of later optimization of the secondary sources configuration. In this study, a new method free from specific error sensors configuration information is presented that higher order microphones are used to capture the sound field so as to formulate the cost function in wave domain. In addition, according to sparsity characteristics of the primary sound field, sparsity-inducing regularization is introduced to optimize the secondary sources configuration, including the number and positions, by calculating a sparse approximate solution to underdetermined equations. Effects of the number of candidate secondary sources are discussed, and the comparison with the uniform configuration and the optimized configuration using the genetic algorithm is performed. Results show that the proposed method can optimize the secondary sources configuration effectively independent of the error sensors configuration information. The noise reduction of the proposed method is close to that by the genetic algorithm, while other evaluation metrics for the system are much better, which would benefit the stability of active noise control system.