bluuebunny/crossref_metadata_2025 huggingface dataset:
Morning Overshoot of Electron Temperature as Observed by the Swarm Constellation and the International Space Station
Authors: Yang Tae‐Yong , Park Jaeheung , Kwak Young‐Sil , Oyama Koh‐Ichiro , Minow Joseph I. , Lee Jaejin
Published: December 2019

The rapid increase of electron temperature in the early morning hours at low latitudes is a well‐known ionospheric phenomenon called morning overshoot. In this study, we extensively investigate the dependence of morning overshoot on local time, season, latitude/longitude/altitude, and magnetic activity. The electron temperature and density data set used in this study are obtained from (1) the Swarm constellation at two different altitudes of 470 and 520 km with identical payloads and (2) the Floating Potential Measurement Unit onboard International Space Station at an altitude of 400 km. Based on the data between 2014 and 2019, the main findings of this study are as follows: (1) on a global average, morning overshoot generally weakens with decreasing altitudes. (2) Morning overshoot is stronger around the dip equator than at midlatitude regions. As latitude increases, the overshoot decreases gradually and shifts to later local times. (3) In off‐equatorial regions the overshoot is stronger in the winter than in the summer hemisphere, especially at higher altitudes. (4) Lastly, the morning overshoot shows multiday oscillations, which are negatively correlated with plasma density and affected by geomagnetic activity.
Low prevalence of clinical decision support to calculate caloric and fluid intake for infants in the neonatal intensive care unit
Authors: Falciglia Gustave H. , Murthy Karna , Holl Jane L. , Palac Hannah L. , Woods Donna M. , Robinson Daniel T.
Published: December 2019

Background

Clinical decision support (CDS) improves nutrition delivery for infants in the neonatal intensive care unit (NICU), however, the prevalence of CDS to support nutrition is unknown.

Methods

Online surveys, with telephone and email validation of responses, were administered to NICU clinicians in the Children’s Hospital Neonatal Consortium (CHNC). We determined and compared the availability of CDS to calculate calories and fluid received in the prior 24 h, stratified by enteral and parenteral intake, using McNemar’s test.

Results

Clinicians at all 34 CHNC hospitals responded with 98 of 108 (91%) surveys completed. NICUs have considerably less CDS to calculate enteral calories received than enteral fluid received (32% vs. 82%,p < 0.001) and less CDS to calculate parenteral calories received than parenteral fluid received (29% vs. 82%,p < 0.001).

Discussion

Most CHNC NICUs are unable to reliably and consistently monitor caloric intake delivered to critically ill infants at risk for growth failure.
Intramitochondrial Src kinase links mitochondrial dysfunctions and aggressiveness of breast cancer cells
Authors: Djeungoue-Petga Marie-Ange , Lurette Olivier , Jean Stéphanie , Hamel-Côté Geneviève , Martín-Jiménez Rebeca , Bou Marine , Cannich Astrid , Roy Patrick , Hebert-Chatelain Etienne
Published: December 2019

High levels and activity of Src kinase are common among breast cancer subtypes, and several inhibitors of the kinase are currently tested in clinical trials. Alterations in mitochondrial activity is also observed among the different types of breast cancer. Src kinase is localized in several subcellular compartments, including mitochondria where it targets several proteins to modulate the activity of the organelle. Although the subcellular localization of other oncogenes modulates the potency of known treatments, nothing is known about the specific role of intra-mitochondrial Src (mtSrc) in breast cancer. The aim of this work was to determine whether mtSrc kinase has specific impact on breast cancer cells. We first observed that activity of mtSrc is higher in breast cancer cells of the triple negative subtype. Over-expression of Src specifically targeted to mitochondria reduced mtDNA levels, mitochondrial membrane potential and cellular respiration. These alterations of mitochondrial functions led to lower cellular viability, shorter cell cycle and increased invasive capacity. Proteomic analyses revealed that mtSrc targets the mitochondrial single-stranded DNA-binding protein, a regulator of mtDNA replication. Our findings suggest that mtSrc promotes aggressiveness of breast cancer cells via phosphorylation of mitochondrial single-stranded DNA-binding protein leading to reduced mtDNA levels and mitochondrial activity. This study highlights the importance of considering the subcellular localization of Src kinase in the development of potent therapy for breast cancer.
Hypoxia regulates the mitochondrial activity of hepatocellular carcinoma cells through HIF/HEY1/PINK1 pathway
Authors: Kung-Chun Chiu David , Pui-Wah Tse Aki , Law Cheuk-Ting , Ming-Jing Xu Iris , Lee Derek , Chen Mengnuo , Kit-Ho Lai Robin , Wai-Hin Yuen Vincent , Wing-Sum Cheu Jacinth , Wai-Hung Ho Daniel , Wong Chun-Ming , Zhang Huafeng , Ng Irene Oi-Lin , Chak-Lui Wong Carmen
Published: December 2019

Hypoxia is commonly found in cancers. Hypoxia, due to the lack of oxygen (O2) as the electron recipient, causes inefficient electron transfer through the electron transport chain at the mitochondria leading to accumulation of reactive oxygen species (ROS) which could create irreversible cellular damages. Through hypoxia-inducible factor 1 (HIF-1) which elicits various molecular events, cells are able to overcome low O2. Knowledge about the new molecular mechanisms governed by HIF-1 is important for new therapeutic interventions targeting hypoxic tumors. Using hepatocellular carcinoma (HCC) as a model, we revealed that the HIF-1 and the Notch signaling pathways cross-talk to control mitochondrial biogenesis of cancer cells to maintain REDOX balance. From transcriptome sequencing, we found that HEY1, a transcriptional repressor, in the NOTCH pathway was consistently induced by hypoxia in HCC cell lines. We identified a strong hypoxia response element (HRE) in HEY1 by chromatin immunoprecipitation (ChIP) and luciferase reporter assays. Transcriptome and ChIP sequencing further identified PINK1, a gene essential for mitochondrial biogenesis, as a novel transcriptional target of HEY1. HCC cells with HEY1 knockdown re-expressed PINK1. HEY1 and PINK1 expressions inversely correlated in human HCC samples. Overexpression of HEY1 and under-expression of PINK1 were detected in human HCC and associated with poor clinical outcomes. Functionally, we found that overexpression of HEY1 or knockdown of PINK1 consistently reduced mitochondrial cristae, mitochondrial mass, oxidative stress level, and increased HCC growth.
Vitamin D promotes the cisplatin sensitivity of oral squamous cell carcinoma by inhibiting LCN2-modulated NF-κB pathway activation through RPS3
Authors: Huang Zixian , Zhang Yin , Li Haigang , Zhou Yufeng , Zhang Qianyu , Chen Rui , Jin Tingting , Hu Kaishun , Li Shihao , Wang Yan , Chen Weiliang , Huang Zhiquan
Published: December 2019

Chemoresistance is a major cause of cancer progression and the mortality of cancer patients. Developing a safe strategy for enhancing chemosensitivity is a challenge for biomedical science. Recent studies have suggested that vitamin D supplementation may decrease the risk of many cancers. However, the role of vitamin D in chemotherapy remains unknown. We found that vitamin D sensitised oral cancer cells to cisplatin and partially reversed cisplatin resistance. Using RNA-seq, we discovered that lipocalin 2 (LCN2) is an important mediator. Cisplatin enhanced the expression of LCN2 by decreasing methylation at the promoter, whereas vitamin D enhanced methylation and thereby inhibited the expression of LCN2. Overexpression of LCN2 increased cell survival and cisplatin resistance both in vitro and in vivo. High LCN2 expression was positively associated with differentiation, lymph node metastasis, and T staging and predicted a poor prognosis in oral squamous cell carcinoma (OSCC) patients. LCN2 was also associated with post-chemotherapy recurrence. Moreover, we found that LCN2 promoted the activation of NF-κB by binding to ribosomal protein S3 (RPS3) and enhanced the interaction between RPS3 and p65. Our study reveals that vitamin D can enhance cisplatin chemotherapy and suggests that vitamin D should be supplied during chemotherapy; however, more follow-up clinical studies are needed.
Oxidation and alkylation stresses activate ribosome-quality control
Authors: Yan Liewei L. , Simms Carrie L. , McLoughlin Fionn , Vierstra Richard D. , Zaher Hani S.
Published: December 2019

Oxidation and alkylation of nucleobases are known to disrupt their base-pairing properties within RNA. It is, however, unclear whether organisms have evolved general mechanism(s) to deal with this damage. Here we show that the mRNA-surveillance pathway of no-go decay and the associated ribosome-quality control are activated in response to nucleobase alkylation and oxidation. Our findings reveal that these processes are important for clearing chemically modified mRNA and the resulting aberrant-protein products. In the absence of Xrn1, the level of damaged mRNA significantly increases. Furthermore, deletion of LTN1 results in the accumulation of protein aggregates in the presence of oxidizing and alkylating agents. This accumulation is accompanied by Hel2-dependent regulatory ubiquitylation of ribosomal proteins. Collectively, our data highlight the burden of chemically damaged mRNA on cellular homeostasis and suggest that organisms evolved mechanisms to counter their accumulation.
Global hydro-environmental sub-basin and river reach characteristics at high spatial resolution
Authors: Linke Simon , Lehner Bernhard , Ouellet Dallaire Camille , Ariwi Joseph , Grill Günther , Anand Mira , Beames Penny , Burchard-Levine Vicente , Maxwell Sally , Moidu Hana , Tan Florence , Thieme Michele
Published: December 2019

The HydroATLAS database provides a standardized compendium of descriptive hydro-environmental information for all watersheds and rivers of the world at high spatial resolution. Version 1.0 of HydroATLAS offers data for 56 variables, partitioned into 281 individual attributes and organized in six categories: hydrology; physiography; climate; land cover & use; soils & geology; and anthropogenic influences. HydroATLAS derives the hydro-environmental characteristics by aggregating and reformatting original data from well-established global digital maps, and by accumulating them along the drainage network from headwaters to ocean outlets. The attributes are linked to hierarchically nested sub-basins at multiple scales, as well as to individual river reaches, both extracted from the global HydroSHEDS database at 15 arc-second (~500 m) resolution. The sub-basin and river reach information is offered in two companion datasets: BasinATLAS and RiverATLAS. The standardized format of HydroATLAS ensures easy applicability while the inherent topological information supports basic network functionality such as identifying up- and downstream connections. HydroATLAS is fully compatible with other products of the overarching HydroSHEDS project enabling versatile hydro-ecological assessments for a broad user community.
Blood proteome profiling using aptamer-based technology for rejection biomarker discovery in transplantation
Authors: Shubin Andrey V. , Kollar Branislav , Dillon Simon T. , Pomahac Bohdan , Libermann Towia A. , Riella Leonardo V.
Published: December 2019

Face transplantation is a promising solution for patients with devastating facial injuries who lack other satisfactory treatment options. At the same time, this type of transplantation is accompanied with high risks of acute transplant rejection. The limitations of traditional skin biopsy and the need to frequently monitor the condition of face transplant call for less invasive biomarkers to better diagnose and treat acute rejection. Discovery of peripheral serum proteins accurately reflecting the transplant status would represent a reasonable solution to meet this demand. However, to date, there is no clinical data available to address the feasibility of this approach. In this study, we used the next generation aptamer-based SOMAscan proteomics platform to profile 1305 proteins of peripheral blood serum in twenty-four samples taken from 6 patients during no-rejection, nonsevere rejection, and severe rejection episodes. Also, we provide a detailed description of biosample processing and all steps to generate and analyze the SOMAscan dataset with hope it will assist in performing biomarker discovery in other transplantation centers using this platform.
Culture of Methanogenic Archaea from Human Colostrum and Milk
Authors: Togo Amadou Hamidou , Grine Ghiles , Khelaifia Saber , des Robert Clotilde , Brevaut Véronique , Caputo Aurelia , Baptiste Emeline , Bonnet Marion , Levasseur Anthony , Drancourt Michel , Million Matthieu , Raoult Didier
Published: December 2019

Archaeal sequences have been detected in human colostrum and milk, but no studies have determined whether living archaea are present in either of these fluids. Methanogenic archaea are neglected since they are not detected by usual molecular and culture methods. By using improved DNA detection protocols and microbial culture techniques associated with antioxidants previously developed in our center, we investigated the presence of methanogenic archaea using culture and specific Methanobrevibacter smithii and Methanobrevibacter oralis real-time PCR in human colostrum and milk. M. smithii was isolated from 3 colostrum and 5 milk (day 10) samples. M. oralis was isolated from 1 milk sample. For 2 strains, the genome was sequenced, and the rhizome was similar to that of strains previously isolated from the human mouth and gut. M. smithii was detected in the colostrum or milk of 5/13 (38%) and 37/127 (29%) mothers by culture and qPCR, respectively. The different distribution of maternal body mass index according to the detection of M. smithii suggested an association with maternal metabolic phenotype. M. oralis was not detected by molecular methods. Our results suggest that breastfeeding may contribute to the vertical transmission of these microorganisms and may be essential to seed the infant’s microbiota with these neglected critical commensals from the first hour of life.
Integrative proteomics and phosphoproteomics in pulmonary arterial hypertension
Authors: Xu Weiling , Comhair Suzy A. A. , Chen Ruoying , Hu Bo , Hou Yuan , Zhou Yadi , Mavrakis Lori A. , Janocha Allison J. , Li Ling , Zhang Dongmei , Willard Belinda B. , Asosingh Kewal , Cheng Feixiong , Erzurum Serpil C.
Published: December 2019

Pulmonary arterial endothelial cells (PAEC) are mechanistically linked to origins of pulmonary arterial hypertension (PAH). Here, global proteomics and phosphoproteomics of PAEC from PAH (n = 4) and healthy lungs (n = 5) were performed using LC-MS/MS to confirm known pathways and identify new areas of investigation in PAH. Among PAH and control cells, 170 proteins and 240 phosphopeptides were differentially expressed; of these, 45 proteins and 18 phosphopeptides were located in the mitochondria. Pathologic pathways were identified with integrative bioinformatics and human protein-protein interactome network analyses, then confirmed with targeted proteomics in PAH PAEC and non-targeted metabolomics and targeted high-performance liquid chromatography of metabolites in plasma from PAH patients (n = 30) and healthy controls (n = 12). Dysregulated pathways in PAH include accelerated one carbon metabolism, abnormal tricarboxylic acid (TCA) cycle flux and glutamate metabolism, dysfunctional arginine and nitric oxide pathways, and increased oxidative stress. Functional studies in cells confirmed abnormalities in glucose metabolism, mitochondrial oxygen consumption, and production of reactive oxygen species in PAH. Altogether, the findings indicate that PAH is typified by changes in metabolic pathways that are primarily found in mitochondria.
Early antibody response and clinical outcome in experimental canine leishmaniasis
Authors: Olías-Molero Ana Isabel , Corral María J. , Jiménez-Antón María Dolores , Alunda José Mª
Published: December 2019

Infected dogs are the main reservoir of zoonotic visceral leishmaniasis, a widespread parasitic disease caused by Leishmania infantum. Therefore, the control of canine infections is required to reduce the incidence of human cases. Disease outcome in dogs depends on the fine balance between parasite virulence and efficacy of the immune system. Thus, knowledge of early response could yield relevant information for diagnosis and follow-up. In our study, 20 Beagle dogs were intravenously infected with 108 amastigotes of a fresh isolate of L. infantum and monitored along 16 weeks post inoculation. Specific antibody response and clinical evolution of infected animals were highly variable. Immunofluorescence antibody test (IFAT) and enzyme linked immunosorbent assay (ELISA) were useful to assess infection status, although only ELISA with promastigote-coated plates and, particularly, western blotting (WB) allowed an early diagnosis. Prominent antigens were identified by mass peptide fingerprinting. Chaperonin HSP60, 32 and 30 KDa antigens were recognized by all dogs on week 10 post infection. This suggests that these antigens may be valuable for early diagnosis. Advanced infection showed, in addition, reactivity to HSP83 and HSP70. Disease outcome did not show a clear relationship with ELISA or IFAT titers. Correlation between the clinical status and the combined reactivity to some antigens sustains their use for diagnosis and follow-up.
Association of genetic polymorphisms in CASP7 with risk of ischaemic stroke
Authors: Zheng Zhaoshi , Liu Songyan , Wang Chuheng , Wang Chunhui , Tang Dong , Shi Yuqing , Han Xuemei
Published: December 2019

Caspase 7 (CASP7) is located on chromosome 10q25.3 that has been identified to be a susceptibility locus of ischaemic stroke (IS) by genome-wide association study. Elevated CASP7 was observed in IS, acting as a key apoptotic mediator in the development of IS. The aim of this study was to investigate the association between genetic polymorphisms in CASP7 and risk of IS. The CASP7 polymorphisms were genotyped using a TaqMan allelic discrimination assay. The expression levels of CASP7 mRNA were examined using quantitative polymerase chain reaction and luciferase activity was analyzed using the Dual Luciferase reporter assay. The rs12415607 in the promoter of CASP7 was associated with a reduced risk of IS (AA vs. CC: adjusted OR = 0.55, 95% CI: 0.38–0.80, P = 0.002; CA/AA vs. CC: adjusted OR = 0.70, 95% CI: 0.54–0.91, P = 0.007; AA vs. CC/CA: adjusted OR = 0.64, 95% CI: 0.46–0.90, P = 0.01; A vs. C: adjusted OR = 0.74, 95% CI: 0.62–0.89, P = 0.001). Moreover, the rs12415607 AA genotype carriers exhibited lower levels of CASP7 mRNA and the rs12415607 A allele decreased the promoter activity. These findings indicate that the rs12415607 A allele induces lower levels of transcriptional activity and CASP7 mRNA, and thus is associated with a reduced risk of IS.
Advances in ultrahigh-throughput screening for directed enzyme evolution
Authors: Markel Ulrich , Essani Khalil D. , Besirlioglu Volkan , Schiffels Johannes , Streit Wolfgang R. , Schwaneberg Ulrich
Published: December 2019

This review summarizes how ultrahigh-throughput screening methods employ cells and biomimetic compartments to access the vast, unexplored diversity of biocatalysts with novel functions derived from directed evolution and metagenomics libraries.
An automated modular assembly line for drugs in a miniaturized plant
Authors: Hu Chuntian , Testa Christopher J. , Wu Wei , Shvedova Khrystyna , Shen Dongying Erin , Sayin Ridade , Halkude Bhakti S. , Casati Federica , Hermant Paul , Ramnath Anjana , Born Stephen C. , Takizawa Bayan , O’Connor Thomas F. , Yang Xiaochuan , Ramanujam Sukumar , Mascia Salvatore
Published: December 2019

Modular assembly line: a promising approach to reduce drug shortages, assure quality, and improve affordability.
A robust bis-rhodium(i) complex of π-extended planar, anti-aromatic hexaphyrin[1.0.1.0.1.0]
Authors: Samala Srinivas , Dutta Ranjan , He Qing , Park Yeonju , Chandra Brijesh , Lynch Vincent M. , Jung Young Mee , Sessler Jonathan L. , Lee Chang-Hee
Published: December 2019

A bimetallic Rh(i)-complex of a 24 π-electron hexaphyrin with intrinsic antiaromaticity is reported.
Construction of an iridium(iii)-complex-loaded MOF nanoplatform mediated with a dual-responsive polycationic polymer for photodynamic therapy and cell imaging
Authors: Zhang Yongxin , Fu Hao , Chen Shuai , Liu Bingqing , Sun Wenfang , Gao Hui
Published: December 2019

A multifunctional nanoplatform was constructed using an UiO-66-based MOF, an Ir(iii) complex and a dual-responsive polymer to achieve efficient PDT and bioimaging.
Solvent influenced synthesis of single-phase SnS2 nanosheets for solution-processed photodiode fabrication
Authors: Thangaraju D. , Marnadu R. , Santhana V. , Durairajan A. , Kathirvel P. , Chandrasekaran J. , Jayakumar S. , Valente M. A. , Greenidge Darius C.
Published: December 2019

The effect of variant high boiling point solvent combinations in the synthesis and photo-sensing characteristics of tin disulfide (SnS2) thin nanosheets were investigated.
C13 – a new empirical force field to characterize the mechanical behavior of carbyne chains
Authors: Faria Bruno , Bernardes Carlos E. S. , Silvestre Nuno , Canongia Lopes José N.
Published: December 2019

The C13 empirical potential is developed for accurate modeling of mechanical properties of carbyne specifically taking in account bond alternation.
Bioinspired hierarchical cross-linked graphene–silicon nanofilms via synergistic interfacial interactions as integrated negative electrodes for high-performance lithium storage
Authors: Wang Bo , Wu Xiaoyu , Zhang Jinhui , Zhang Xiaoyu , Li Songmei
Published: December 2019

Inspired by the relationship between nacre's unique structure and outstanding mechanical properties, a flexible and robust bioinspired rGO–Si–CMC–PAA film was prepared via a vacuum-assisted self-assembly process and thermal condensation reaction.
Sensitizer-free photon up conversion in (HQ)2ZnCl4 and HQCl crystals: systems involving resonant energy transfer and triplet–triplet annihilation
Authors: Samet Amira , Pillet Sebastien , Abid Younes
Published: December 2019

This work deals with normal luminescence and up-conversion luminescence involving charge transfer and triplet–triplet annihilation in the lead free hybrid materials (HQ)2[ZnCl4] and HQCl salt; HQ is the hydroxyquinolate cation (HQ+ = C9H8NO+).
CO2 activation through C–N, C–O and C–C bond formation
Authors: Eftaiha Ala'a F. , Qaroush Abdussalam K. , Okashah Ibrahim K. , Alsoubani Fatima , Futter Jonas , Troll Carsten , Rieger Bernhard , Assaf Khaleel I.
Published: December 2019

CO2 fixation reactions have been explored using different organic substrates upon activation with a superbase.
Heterodinuclear complexes featuring Zn(ii) and M = Al(iii), Ga(iii) or In(iii) for cyclohexene oxide and CO2 copolymerisation
Authors: Deacy Arron C. , Durr Christopher B. , Williams Charlotte K.
Published: December 2019

A series of heterodinuclear zinc(ii)-Group 13 catalysts are synthesised by a sequential metalation procedure. They are active catalysts for the ring opening copolymerisation of cyclohexene oxide and CO2.
Nanoencapsulation of a ruthenium(ii) complex with triazolopyrimidine in liposomes as a tool for improving its anticancer activity against melanoma cell lines
Authors: Fandzloch Marzena , Jaromin Anna , Zaremba-Czogalla Magdalena , Wojtczak Andrzej , Lewińska Agnieszka , Sitkowski Jerzy , Wiśniewska Joanna , Łakomska Iwona , Gubernator Jerzy
Published: December 2019

One of the six new Ru(ii) complexes synthesized using purine analogues, such as triazolopyrimidines, encapsulated in PEG-modified liposomes, representing an effective alternative for enhanced selective cytotoxicity against melanoma cell lines.
Determination of formation constants and specific ion interaction coefficients for CanUO2(CO3)3(4−2n)−complexes in NaCl solution by time-resolved laser-induced luminescence spectroscopy
Authors: Shang Chengming , Reiller Pascal E.
Published: December 2019

The formation constants of CaUO2(CO3)32−and Ca2UO2(CO3)3(aq) were determined in NaCl medium at ionic strengths between 0.1 and 1 mol kgw−1using time-resolved laser-induced luminescence spectroscopy (TRLS).
Understanding the mechanochemical synthesis of the perovskite LaMnO3 and its catalytic behaviour
Authors: Blackmore Rachel H. , Rivas Maria Elena , Eralp Erden Tugce , Dung Tran Trung , Marchbank Huw R. , Ozkaya Dogan , Briceno de Gutierrez Martha , Wagland Alison , Collier Paul , Wells Peter P.
Published: December 2019

This paper describes the steps involved in the mechanochemical synthesis of LaMnO3 using X-ray absorption spectroscopy (XAS) and the improved performance of ball milled materials towards the decomposition of N2O.
Synthesis, structure and catalytic activity of manganese(ii) complexes derived from bis(imidazole)methane-based ligands
Authors: Deka Hemanta , Kumar Ankit , Patra Soumyadip , Awasthi Mahendra Kumar , Singh Sanjay Kumar
Published: December 2019

Mn(ii)-Bis(imidazole)methane based complexes are synthesised and explored for catalytic oxidative coupling of primary amines to imines under solvent-free conditions at 80 °C in air.
A microelectrode array chip for osteogenic differentiation of mesenchymal stem cells under electrical stimulation
Authors: Zheng Tianyang , Zhang Zhizhong , Zhu Rong , Sun Dong
Published: December 2019

A microelectrode array chip is able to improve the osteogenic differentiation of mesenchymal stem cells by generating a non-uniform electric field.
Vanadyl spin qubit 2D arrays and their integration on superconducting resonators
Authors: Urtizberea Ainhoa , Natividad Eva , Alonso Pablo J. , Pérez-Martínez Laura , Andrés Miguel A. , Gascón Ignacio , Gimeno Ignacio , Luis Fernando , Roubeau Olivier
Published: December 2019

2D vanadyl porphyrin layers are shown to possess superior spin coherence and to purvey an optimal interface with superconducting circuits.
Highly stable and conductive PEDOT:PSS/GO-SWCNT bilayer transparent conductive films
Authors: Zhao Hui , Geng Wenming , Cao Wei-Wei , Wen Jian-Gong , Wang Tao , Tian Ying , Jing Li-Chao , Yuan Xiao-Tong , Zhu Ze-Ru , Geng Hong-Zhang
Published: December 2019

PEDOT:PSS/GO-SWCNT films with a double-layer structure have high electrical conductivity and stability during bending.
GaAs nanoscale membranes: prospects for seamless integration of III–Vs on silicon
Authors: Raya Andrés M. , Friedl Martin , Martí-Sánchez Sara , Dubrovskii Vladimir G. , Francaviglia Luca , Alén Benito , Morgan Nicholas , Tütüncüoglu Gözde , Ramasse Quentin M. , Fuster David , Llorens Jose M. , Arbiol Jordi , Fontcuberta i Morral Anna
Published: December 2019

Selective area epitaxy of GaAs nanoscale membranes on silicon. Small apertures result in a majority defect-free structures.
Coupling Cu with Au for enhanced electrocatalytic activity of nitrogen reduction reaction
Authors: Liu Yongqin , Huang Liang , Zhu Xinyang , Fang Youxing , Dong Shaojun
Published: December 2019

The electrochemical nitrogen reduction reaction (NRR) under ambient conditions is currently attracting intense attention, but it still remains a great challenge to develop highly selective and active NRR electrocatalysts.
Recent developments in the chemistry of allenyl sulfones
Authors: Yadav Deepak , Menon Rajeev S.
Published: December 2019

Allenyl sulfones are versatile building blocks for the construction of various acyclic, carbocyclic and heterocyclic motifs. Recent developments in the preparation and synthetic applications of allenyl sulfones are summarised.
Synthesis and direct assembly of linear–dendritic copolymers via CuAAC click polymerization-induced self-assembly (CPISA)
Authors: Zeng Min , Cao Xiaosong , Xu Hui , Gan Weiping , Smith Bradley D. , Gao Haifeng , Yuan Jinying
Published: December 2019

A one-pot method was developed for in situ preparation of linear–dendritic copolymer assemblies via click polymerization-induced self-assembly (CPISA).
Correction: Synthesis of Bi2WO6/Na-bentonite composites for photocatalytic oxidation of arsenic(iii) under simulated sunlight
Authors: Yang Quancheng , Dai Yunxiang , Huang Zijian , Zhang Jing , Zeng Ming , Shi Changsheng
Published: December 2019

Correction for ‘Synthesis of Bi2WO6/Na-bentonite composites for photocatalytic oxidation of arsenic(iii) under simulated sunlight’ by Quancheng Yang et al., RSC Adv., 2019, 9, 29689–29698.
Hollow zeolite microspheres as a nest for enzymes: a new route to hybrid heterogeneous catalysts
Authors: Smeets Valentin , Baaziz Walid , Ersen Ovidiu , Gaigneaux Eric M. , Boissière Cédric , Sanchez Clément , Debecker Damien P.
Published: December 2019

A spray drying technique is used to prepare hollow zeolite microparticles into which an enzyme can be entrapped. Via this “Lego-like” strategy, we create hybrid heterogeneous catalysts that can run multistep chemo-enzymatic cascade reactions.
Singlet fission in a hexacene dimer: energetics dictate dynamics
Authors: Sanders Samuel N. , Kumarasamy Elango , Fallon Kealan J. , Sfeir Matthew Y. , Campos Luis M.
Published: December 2019

We report the synthesis and photophysical characterization of highly exoergic singlet fission in a hexacene dimer revealing exciton dynamics that follow the energy gap law.
Stability of big surface bubbles: impact of evaporation and bubble size
Authors: Miguet Jonas , Pasquet Marina , Rouyer Florence , Fang Yuan , Rio Emmanuelle
Published: December 2019

Statistical data show that lifetime of surface bubbles increases with size and humidity. Models are derived and verified to describe the thinning of the film as well as its lifetime under the action of gravity/capillarity and convective evaporation.
Structure and dynamics of lipid membranes interacting with antivirulence end-phosphorylated polyethylene glycol block copolymers
Authors: Yu Jing , Mao Jun , Nagao Michihiro , Bu Wei , Lin Binhua , Hong Kunlun , Jiang Zhang , Liu Yun , Qian Shuo , Tirrell Matthew , Chen Wei
Published: December 2019

The structure and dynamics of lipid membranes in the presence of extracellular macromolecules are critical for cell membrane functions and many pharmaceutical applications.
Simultaneous control of Gaussian curvature and buckling direction by swelling of asymmetric trilayer hydrogel hybrids
Authors: Jeon Seog-Jin , Hayward Ryan C.
Published: December 2019

Trilayer polymer films consisting of a thermoresponsive hydrogel sandwiched by rigid layers of a glassy polymer patterned into parallel striped features drive temperature-responsive shape-morphing with control over buckling direction.
Compaction of elastic granular materials: inter-particles friction effects and plastic events
Authors: Vu Thi-Lo , Nezamabadi Saeid , Mora Serge
Published: December 2019

The uni-axial compaction of granular materials made of elastic neo-Hookean particles is investigated in the quasi-static regime.
Hollow spherical SiO2 micro-container encapsulation of LiCl for high-performance simultaneous heat reallocation and seawater desalination
Authors: Yang Kaijie , Shi Yusuf , Wu Mengchun , Wang Wenbin , Jin Yong , Li Renyuan , Shahzad Muhammad Wakil , Ng Kim Choon , Wang Peng
Published: December 2019

Micro hollow SiO2 spheres with LiCl encapsulated inside for high-performance simultaneous heat reallocation and seawater desalination.
Novel wide-bandgap non-fullerene acceptors for efficient tandem organic solar cells
Authors: Firdaus Yuliar , He Qiao , Lin Yuanbao , Nugroho Ferry Anggoro Ardy , Le Corre Vincent M. , Yengel Emre , Balawi Ahmed H. , Seitkhan Akmaral , Laquai Frédéric , Langhammer Christoph , Liu Feng , Heeney Martin , Anthopoulos Thomas D.
Published: December 2019

A novel wide-bandgap non-fullerene acceptor, IDTTA, is developed. Using a PBDB-T:IDTTA system as the front-cell and a PTB7-Th:IEICO-4F blend as the back cell, we demonstrate tandem organic solar cells with 15% PCE.
Hyperthermia-triggered UK release nanovectors for deep venous thrombosis therapy
Authors: Xu Jiasheng , Zhou Yu , Nie Han , Xiong Zhiwei , OuYang Huan , Huang Li , Fang Huaqiang , Jiang Huixia , Huang Feng , Yang Yalan , Ding Xingwei , Wang Xiaolei , Zhou Weimin
Published: December 2019

Deep vein thrombosis (DVT) is a common and lethal complication of surgery.
A white-light-emitting single MOF sensor-based array for berberine homologue discrimination
Authors: Wang Qian , Liu Qiao , Du Xiao-Meng , Zhao Bo , Li Yue , Ruan Wen-Juan
Published: December 2019

With distinct responses of three fluorescent bands, a single white-light-emitting MOF was constructed and applied in array sensing for berberine homologue discrimination.
Molecular recognition in the product site of cellobiohydrolase Cel7A regulates processive step length
Authors: Olsen Johan Pelck , Kari Jeppe , Windahl Michael Skovbo , Borch Kim , Westh Peter
Published: December 2019

Cellobiohydrolase Cel7A is an industrial important enzyme that breaks down cellulose by a complex processive mechanism. The enzyme threads the reducing end of a cellulose strand into its tunnel-shaped catalytic domain and progresses along the strand while sequentially releasing the disaccharide cellobiose. While some molecular details of this intricate process have emerged, general structure-function relationships for Cel7A remain poorly elucidated. One interesting aspect is the occurrence of particularly strong ligand interactions in the product binding site. In this work, we analyze these interactions in Cel7A from Trichoderma reesei with special emphasis on the Arg251 and Arg394 residues. We made extensive biochemical characterization of enzymes that were mutated in these two positions and showed that the arginine residues contributed strongly to product binding. Specifically, ∼50% of the total standard free energy of product binding could be ascribed to four hydrogen bonds to Arg251 and Arg394, which had previously been identified in crystal structures. Mutation of either Arg251 or Arg394 lowered production inhibition of Cel7A, but at the same time altered the enzyme product profile and resulted in ∼50% reduction in both processivity and hydrolytic activity. The position of the two arginine residues closely matches the two-fold screw axis symmetry of the substrate, and this energetically favors the productive enzyme-substrate complex. Our results indicate that the strong and specific ligand interactions of Arg251 and Arg394 provide a simple proofreading system that controls the step length during consecutive hydrolysis and minimizes dead time associated with transient, non-productive complexes.
Persistent Neurobehavioral Markers of Developmental Morphosyntax Errors in Adults
Authors: Wagley Neelima , Perrachione Tyler K. , Ostrovskaya Irina , Ghosh Satrajit S. , Saxler Patricia K. , Lymberis John , Wexler Kenneth , Gabrieli John D. E. , Kovelman Ioulia
Published: December 2019

Purpose

Child language acquisition is marked by an optional infinitive period (ages 2–4 years) during which children use nonfinite (infinitival) verb forms and finite verb forms interchangeably in grammatical contexts that require finite forms. In English, children's errors include omissions of past tense /–
ed
/ and 3rd-person singular /–
s
/. This language acquisition period typically ends by the age of 4 years, but it persists in children with language impairments. It is unknown if adults still process optional infinitives differently than other kinds of morphosyntax errors.

Method

We compared behavior and functional brain activation during grammaticality judgments across sentences with developmental optional infinitive tense/agreement errors (“Yesterday I play the song”), nondevelopmental agreement errors (“He am tall”) that do not occur in typical child language acquisition, and grammatically correct sentences.

Results

Adults (
N
= 25) were significantly slower and less accurate in judging sentences with developmental errors relative to other sentences. Sentences with developmental errors yielded greater activation in bilateral inferior frontal gyri relative to nondevelopmental error sentences in both auditory and visual modalities.

Conclusions

These findings suggest that the heightened computational demands for finiteness extend well beyond early childhood and continue to exert their influence on grammatical mental and brain function in adulthood.
Deriving star cluster parameters with convolutional neural networks
Authors: Bialopetravičius J. , Narbutis D.
Published: December 2019

Context. Convolutional neural networks (CNNs) have been established as the go-to method for fast object detection and classification of natural images. This opens the door for astrophysical parameter inference on the exponentially increasing amount of sky survey data. Until now, star cluster analysis was based on integral or resolved stellar photometry, which limit the amount of information that can be extracted from individual pixels of cluster images.

Aims. We aim to create a CNN capable of inferring star cluster evolutionary, structural, and environmental parameters from multiband images and to demonstrate its capabilities in discriminating genuine clusters from galactic stellar backgrounds.

Methods. A CNN based on the deep residual network (ResNet) architecture was created and trained to infer cluster ages, masses, sizes, and extinctions with respect to the degeneracies between them. Mock clusters placed on M 83 Hubble Space Telescope images utilizing three photometric passbands (F336W, F438W, and F814W) were used. The CNN is also capable of predicting the likelihood of the presence of a cluster in an image and quantifying its visibility (S/N).

Results. The CNN was tested on mock images of artificial clusters and has demonstrated reliable inference results for clusters of ages ≲100 Myr, extinctions AV between 0 and 3 mag, masses between 3 × 103 and 3 × 105 M⊙, and sizes between 0.04 and 0.4 arcsec at the distance of the M 83 galaxy. Real M 83 galaxy cluster parameter inference tests were performed with objects taken from previous studies and have demonstrated consistent results.
Search for spectral features in extragalactic background light with gamma-ray telescopes
Authors: Korochkin A. , Neronov A. , Semikoz D.
Published: December 2019

Context. Cumulative optical and infrared emission from galaxies accumulated over cosmological time scales, the extragalactic background light (EBL), could be probed by complementary techniques of direct observations and source counting in the visible and infrared as well as via its imprint on the signal of distant active galactic nuclei in γ-rays.

Aims. We compare the visible and infrared measurements with the γ-ray constraints and study if the discrepancies of the measurements with different methods could be due to the presence of features in the EBL spectrum that are localised in the micron wavelength range.

Methods. We combined data on time-averaged spectra of selected blazars that were obtained by Fermi and ground-based gamma-ray telescopes. We also modelled the effect of absorption on EBL while allowing for the existence of a previously unaccounted spectral feature.

Results. We show that a previously reported “excess” in EBL flux in the ∼1 micron wavelength range is consistent with γ-ray measurements, that is, if the excess has the form of a narrow feature of the width δλ <  λ and an overall flux of up to 15 nW m−2 sr−1 above the “minimal” EBL, which is estimated from the visible and infrared source counts. Such ’bump-like’ spectral features could originate, for example, from decaying dark-matter particles, or either axions or peculiar astrophysical processes in the course of star-formation history. We discuss the possibilities for the search of spectral features in the EBL with the Cherenkov Telescope Array.
The Three Hundred Project: Correcting for the hydrostatic-equilibrium mass bias in X-ray and SZ surveys
Authors: Ansarifard S. , Rasia E. , Biffi V. , Borgani S. , Cui W. , De Petris M. , Dolag K. , Ettori S. , Movahed S. M. S. , Murante G. , Yepes G.
Published: December 2019

Accurate and precise measurement of the masses of galaxy clusters is key to deriving robust constraints on cosmological parameters. However, increasing evidence from observations confirms that X-ray masses obtained under the assumption of hydrostatic equilibrium might be underestimated, as previously predicted by cosmological simulations. We analyze more than 300 simulated massive clusters from the Three Hundred Project, and investigate the connection between mass bias and several diagnostics extracted from synthetic X-ray images of these simulated clusters. We find that the azimuthal scatter measured in 12 sectors of the X-ray flux maps is a statistically significant indication of the presence of an intrinsic (i.e., 3D) clumpy gas distribution. We verify that a robust correction to the hydrostatic mass bias can be inferred when estimates of the gas inhomogeneity from X-ray maps (such as the azimuthal scatter or the gas ellipticity) are combined with the asymptotic external slope of the gas density or pressure profiles, which can be respectively derived from X-ray and millimeter (Sunyaev-Zeldovich effect) observations. We also obtain that mass measurements based on either gas density and temperature or gas density and pressure result in similar distributions of the mass bias. In both cases, we provide corrections that help reduce both the dispersion and skewness of the mass bias distribution. These are effective even when irregular clusters are included leading to interesting implications for the modeling and correction of hydrostatic mass bias in cosmological analyses of current and future X-ray and SZ cluster surveys.
Co-spatial velocity and magnetic swirls in the simulated solar photosphere
Authors: Liu Jiajia , Carlsson Mats , Nelson Chris J. , Erdélyi Robert
Published: December 2019

Context.Velocity or intensity swirls have now been shown to be widely present throughout the photosphere and chromosphere. It has been suggested that these events could contribute to the heating of the upper solar atmosphere, via exciting Alfvén pulses, which could carry significant amounts of energy. However, the conjectured necessary physical conditions for their excitation, that the magnetic field rotates co-spatially and co-temporally with the velocity field, has not been verified.

Aims.We aim to understand whether photospheric velocity swirls exist co-spatially and co-temporally with photospheric magnetic swirls, in order to demonstrate the link between swirls and pulses.

Methods.The automated swirl detection algorithm (ASDA) is applied to the photospheric horizontal velocity and vertical magnetic fields obtained from a series of realistic numerical simulations using the radiative magnetohydrodynamics (RMHD) code Bifrost. The spatial relationship between the detected velocity and magnetic swirls is further investigated via a well-defined correlation index (CI) study.

Results.On average, there are ∼63 short-lived photospheric velocity swirls (with lifetimes mostly less than 20 s, and average radius of ∼37 km and rotating speeds of ∼2.5 km s−1) detected in a field of view (FOV) of 6 × 6 Mm−2, implying a total population of velocity swirls of ∼1.06 × 107in the solar photosphere. More than 80% of the detected velocity swirls are found to be accompanied by local magnetic concentrations in intergranular lanes. On average, ∼71% of the detected velocity swirls have been found to co-exist with photospheric magnetic swirls with the same rotating direction.

Conclusions.The co-temporal and co-spatial rotation in the photospheric velocity and magnetic fields provide evidence that the conjectured condition for the excitation of Alfvén pulses by photospheric swirls is fulfilled.
Effect of Longitudinal Temperature Gradient on the Intensity of Two-Way Evaporation in Axisymmetric Capillaries
Authors: Malyshev V.L.
Published: December 2019

A two-way evaporation of liquids from conical channels has been studied . The influence of the temperature gradient on the mass transfer process has been considered. An approximation expression for the temperature coefficient of evaporation has been derived and algorithm for calculating the system drainage time is developed. The double-sided vaporization from conical channels at an axial temperature gradient has been investigated in detail. Expressions for temperature coefficient of evaporation has been obtained and a computational algorithm for vaporization velocity has been developed. The obtained results allow estimating the duration of drying for materials with through pores of any type under conditions of uneven heating.
Charge Transfer in Dimer with Dissipation
Authors: Fialko Nadezhda , Olshevets Maxim , Lakhno Victor
Published: December 2019

The study of the charge transfer processes in biomacromolecules such as DNA is essential for the development of nanobioelectronics, design and construction of DNA-based nanowires, memory devices, logical elements, etc. Mathematical and computer modeling of charge transfer in biopolymer chains is an important part of these investigations. Some properties of charge transfer can be demonstrated by modeling of two-site chain. Based on the semi-classical Holstein model we consider a system of two sites and charged particle (electron or hole) in which the oscillations of the first site are not related to the charge motion, and the parameters of the second site correspond to a small-radius polaron. The system steady states depending on the electron energy H at the second site are studied numerically. The dynamics of the charge initially localized at the first site is modeled. Various modes depending on H are demonstrated: charge tunneling, resonant transfer, and lack of transfer.
Climate Vibrations and Chaotic Behavior of Earth’s Inclination in the Laskar’s Model of a Moonless Earth
Authors: Gurina Tatjana , Salin Vyacheslav
Published: December 2019

The model of the moonless Earth, introduced by J. Laskar, has the form of a non-autonomous Hamiltonian system of differential equations for two variables: the cosine of the angle of inclination and the longitude of the axis of rotation of the Earth. The system describes the rotational dynamics of the Earth under the influence of the sun and planets. Earth perturbations from other planets of the solar system are considered periodic and are taken into account using the first four terms of the Fourier expansion of the corresponding part of the Hamilton function with known amplitudes and frequencies. The initial inclination of the Earth is considered as a parameter of the problem. The system was numerically integrated over a time period of 18 million years for various values of the initial inclination from 0 to 180 degrees. Three chaotic gaps of the initial inclination were found. During the bifurcation study, singular points were found and special segments of the non-autonomous system were obtained. A bifurcation diagram of the system is constructed by the initial inclination parameter. Poincare cartographic maps are constructed. The system is written in variations on the initial conditions for the Laskar system, and with its help the dependences of the problem parameter of the senior Lyapunov exponent and the averaged MEGNO indicator are calculated. The results confirm the presence of three chaotic and one regular region of variation of the bifurcation parameter of the problem.