bluuebunny/crossref_metadata_2025 huggingface dataset:
Aβ34 is a BACE1-derived degradation intermediate associated with amyloid clearance and Alzheimer’s disease progression
Authors: Liebsch Filip , Kulic Luka , Teunissen Charlotte , Shobo Adeola , Ulku Irem , Engelschalt Vivienne , Hancock Mark A. , van der Flier Wiesje M. , Kunach Peter , Rosa-Neto Pedro , Scheltens Philip , Poirier Judes , Saftig Paul , Bateman Randall J. , Breitner John , Hock Christoph , Multhaup Gerhard
Published: May 2019

The beta-site APP cleaving enzyme 1 (BACE1) is known primarily for its initial cleavage of the amyloid precursor protein (APP), which ultimately leads to the generation of Aβ peptides. Here, we provide evidence that altered BACE1 levels and activity impact the degradation of Aβ40 and Aβ42 into a common Aβ34 intermediate. Using human cerebrospinal fluid (CSF) samples from the Amsterdam Dementia Cohort, we show that Aβ34 is elevated in individuals with mild cognitive impairment who later progressed to dementia. Furthermore, Aβ34 levels correlate with the overall Aβ clearance rates in amyloid positive individuals. Using CSF samples from the PREVENT-AD cohort (cognitively normal individuals at risk for Alzheimer’s disease), we further demonstrate that the Aβ34/Aβ42 ratio, representing Aβ degradation and cortical deposition, associates with pre-clinical markers of neurodegeneration. We propose that Aβ34 represents a marker of amyloid clearance and may be helpful for the characterization of Aβ turnover in clinical samples.
Tracking carrier protein motions with Raman spectroscopy
Authors: Epstein Samuel C. , Huff Adam R. , Winesett Emily S. , Londergan Casey H. , Charkoudian Louise K.
Published: May 2019

Engineering microbial biosynthetic pathways represents a compelling route to gain access to expanded chemical diversity. Carrier proteins (CPs) play a central role in biosynthesis, but the fast motions of CPs make their conformational dynamics difficult to capture using traditional spectroscopic approaches. Here we present a low-resource method to directly reveal carrier protein-substrate interactions. Chemoenzymatic loading of commercially available, alkyne-containing substrates onto CPs enables rapid visualization of the molecular cargo’s local environment using Raman spectroscopy. This method could clarify the foundations of the chain sequestration mechanism, facilitate the rapid characterization of CPs, and enable visualization of the vectoral processing of natural products both in vitro and in vivo.
Methylation and PTEN activation in dental pulp mesenchymal stem cells promotes osteogenesis and reduces oncogenesis
Authors: Shen Wen-Ching , Lai Yung-Chih , Li Ling-Hui , Liao Kolin , Lai Hung-Chang , Kao Shou-Yen , Wang John , Chuong Cheng-Ming , Hung Shih-Chieh
Published: May 2019

Lineage commitment and tumorigenesis, traits distinguishing stem cells, have not been well characterized and compared in mesenchymal stem cells derived from human dental pulp (DP-MSCs) and bone marrow (BM-MSCs). Here, we report DP-MSCs exhibit increased osteogenic potential, possess decreased adipogenic potential, form dentin pulp-like complexes, and are resistant to oncogenic transformation when compared to BM-MSCs. Genome-wide RNA-seq and differential expression analysis reveal differences in adipocyte and osteoblast differentiation pathways, bone marrow neoplasm pathway, and PTEN/PI3K/AKT pathway. Higher PTEN expression in DP-MSCs than in BM-MSCs is responsible for the lineage commitment and tumorigenesis differences in both cells. Additionally, the PTEN promoter in BM-MSCs exhibits higher DNA methylation levels and repressive mark H3K9Me2 enrichment when compared to DP-MSCs, which is mediated by increased DNMT3B and G9a expression, respectively. The study demonstrates how several epigenetic factors broadly affect lineage commitment and tumorigenesis, which should be considered when developing therapeutic uses of stem cells.
Model-based understanding of single-cell CRISPR screening
Authors: Duan Bin , Zhou Chi , Zhu Chengyu , Yu Yifei , Li Gaoyang , Zhang Shihua , Zhang Chao , Ye Xiangyun , Ma Hanhui , Qu Shen , Zhang Zhiyuan , Wang Ping , Sun Shuyang , Liu Qi
Published: May 2019

The recently developed single-cell CRISPR screening techniques, independently termed Perturb-Seq, CRISP-seq, or CROP-seq, combine pooled CRISPR screening with single-cell RNA-seq to investigate functional CRISPR screening in a single-cell granularity. Here, we present MUSIC, an integrated pipeline for model-based understanding of single-cell CRISPR screening data. Comprehensive tests applied to all the publicly available data revealed that MUSIC accurately quantifies and prioritizes the individual gene perturbation effect on cell phenotypes with tolerance for the substantial noise that exists in such data analysis. MUSIC facilitates the single-cell CRISPR screening from three perspectives, i.e., prioritizing the gene perturbation effect as an overall perturbation effect, in a functional topic-specific way, and quantifying the relationships between different perturbations. In summary, MUSIC provides an effective and applicable solution to elucidate perturbation function and biologic circuits by a model-based quantitative analysis of single-cell-based CRISPR screening data.
DNA-templated synthesis of biomimetic cell wall for nanoencapsulation and protection of mammalian cells
Authors: Shi Peng , Zhao Nan , Coyne James , Wang Yong
Published: May 2019

Mammalian cells are different from plant and microbial cells, having no exterior cell walls for protection. Environmental assaults can easily damage or destroy mammalian cells. Thus, the ability to develop a biomimetic cell wall (BCW) on their plasma membrane as a shield can advance various applications. Here we demonstrate the synthesis of BCW with a framing template and a crosslinked matrix for shielding live mammalian cells. The framing template is a supramolecular DNA structure. The crosslinked matrix is a polyelectrolyte complex made of alginate and polylysine. As the entire procedure of BCW synthesis is strictly operated under physiological conditions, BCW-covered mammalian cells can maintain high bioactivity. More importantly, the data show that BCW can shield live mammalian cells from not only physical assaults but also biological assaults. Thus, this study has successfully demonstrated the synthesis of BCW on live mammalian cells with great potential of shielding them from environmental assaults.
Author Correction: Loss-of-function mutations in QRICH2 cause male infertility with multiple morphological abnormalities of the sperm flagella
Authors: Shen Ying , Zhang Feng , Li Fuping , Jiang Xiaohui , Yang Yihong , Li Xiaoliang , Li Weiyu , Wang Xiang , Cheng Juan , Liu Mohan , Zhang Xueguang , Yuan Guiping , Pei Xue , Cai Kailai , Hu Fengyun , Sun Jianfeng , Yan Lanzhen , Tang Li , Jiang Chuan , Tu Wenling , Xu Jinyan , Wu Haojuan , Kong Weiqi , Li Shuying , Wang Ke , Sheng Kai , Zhao Xudong , Yue Huanxun , Yang Xiaoyu , Xu Wenming
Published: May 2019

In the original version of this Article, the Acknowledgements section omitted the National Key Research and Development Program of China (SQ2018YFC1003603).
Mediterranean grassland soil C–N compound turnover is dependent on rainfall and depth, and is mediated by genomically divergent microorganisms
Authors: Diamond Spencer , Andeer Peter F. , Li Zhou , Crits-Christoph Alexander , Burstein David , Anantharaman Karthik , Lane Katherine R. , Thomas Brian C. , Pan Chongle , Northen Trent R. , Banfield Jillian F.
Published: May 2019

Soil microbial activity drives the carbon and nitrogen cycles and is an important determinant of atmospheric trace gas turnover, yet most soils are dominated by microorganisms with unknown metabolic capacities. Even Acidobacteria, among the most abundant bacteria in soil, remain poorly characterized, and functions across groups such as Verrucomicrobia, Gemmatimonadetes, Chloroflexi and Rokubacteria are understudied. Here, we have resolved 60 metagenomic and 20 proteomic data sets from a Mediterranean grassland soil ecosystem and recovered 793 near-complete microbial genomes from 18 phyla, representing around one-third of all microorganisms detected. Importantly, this enabled extensive genomics-based metabolic predictions for these communities. Acidobacteria from multiple previously unstudied classes have genomes that encode large enzyme complements for complex carbohydrate degradation. Alternatively, most microorganisms encode carbohydrate esterases that strip readily accessible methyl and acetyl groups from polymers like pectin and xylan, forming methanol and acetate, the availability of which could explain the high prevalence of C1metabolism and acetate utilization in genomes. Microorganism abundances among samples collected at three soil depths and under natural and amended rainfall regimes indicate statistically higher associations of inorganic nitrogen metabolism and carbon degradation in deep and shallow soils, respectively. This partitioning decreased in samples under extended spring rainfall, indicating that long-term climate alteration can affect both carbon and nitrogen cycling. Overall, by leveraging natural and experimental gradients with genome-resolved metabolic profiles, we link microorganisms lacking prior genomic characterization to specific roles in complex carbon, C1, nitrate and ammonia transformations, and constrain factors that impact their distributions in soil.
Transcriptomic profiles of 33 opium poppy samples in different tissues, growth phases, and cultivars
Authors: Zhao Yucheng , Zhang Zhaoping , Li Mingzhi , Luo Jun , Chen Fang , Gong Yongfu , Li Yanrong , Wei Yujie , Su Yujie , Kong Lingyi
Published: May 2019

Opium poppy is one of the most important medicinal plants and remains the only commercial resource of morphinan-based painkillers. However, little is known about the regulatory mechanisms involved in benzylisoquinoline alkaloids (BIAs) biosynthesis in opium poppy. Herein, the full-length transcriptome dataset of opium poppy was constructed for the first time in accompanied with the 33 samples of Illumina transcriptome data from different tissues, growth phases and cultivars. The long-read sequencing produced 902,140 raw reads with 55,114 high-quality transcripts, and short-read sequencing produced 1,923,679,864 clean reads with an average Q30 rate of 93%. The high-quality transcripts were subsequently quantified using the short reads, and the expression of each unigene among different samples was calculated as reads per kilobase per million mapped reads (RPKM). These data provide a foundation for opium poppy transcriptomic analysis, which may aid in capturing splice variants and some non-coding RNAs involved in the regulation of BIAs biosynthesis. It can also be used for genome assembly and annotation which will favor in new transcript identification.
Characteristics of the regulation of the surprise emotion
Authors: Zhu Chuanlin , Li Ping , Zhang Zhao , Liu Dianzhi , Luo Wenbo
Published: May 2019

This study aimed to assess the characteristics of the regulation of the emotion of surprise. Event-related potentials (ERPs) of college students when using cognitive reappraisal and expressive suppression to regulate their surprise level were recorded. Different contexts were presented to participants, followed by the image of surprised facial expression; subsequently, using a 9-point scale, participants were asked to rate the intensity of their emotional experience. The behavioral results suggest that individuals’ surprise level could be reduced by using both expressive suppression and cognitive reappraisal, in basic and complex conditions. The ERP results showed that (1) the N170 amplitudes were larger in complex than basic contexts, and those elicited by using expressive suppression and cognitive reappraisal showed no significant differences, suggesting that emotion regulation did not occur at this stage; (2) the LPC amplitudes elicited by using cognitive reappraisal and expressive suppression were smaller than those elicited by free viewing in both context conditions, suggesting that the late stage of individuals’ processing of surprised faces was influenced by emotion regulation. This study found that conscious emotional regulation occurred in the late stages when individuals processed surprise, and the regulation effects of cognitive reappraisal and expressive suppression were equivalent.
Privacy-preserving Quantum Sealed-bid Auction Based on Grover’s Search Algorithm
Authors: Shi Run-hua , Zhang Mingwu
Published: May 2019

Sealed-bid auction is an important tool in modern economic especially concerned with networks. However, the bidders still lack the privacy protection in previously proposed sealed-bid auction schemes. In this paper, we focus on how to further protect the privacy of the bidders, especially the non-winning bidders. We first give a new privacy-preserving model of sealed-bid auction and then present a quantum sealed-bid auction scheme with stronger privacy protection. Our proposed scheme takes a general state in N-dimensional Hilbert space as the message carrier, in which each bidder privately marks his bid in an anonymous way, and further utilizes Grover’s search algorithm to find the current highest bid. By O(lnn) iterations, it can get the highest bid finally. Compared with any classical scheme in theory, our proposed quantum scheme gets the lower communication complexity.
The extrahepatic events of Asian patients with primary biliary cholangitis: A 30-year cohort study
Authors: Lin Cheng-Yu , Cheng Ya-Ting , Chang Ming-Ling , Chien Rong-Nan
Published: May 2019

The extrahepatic complications of primary biliary cholangitis (PBC) in Asian patients remain elusive. A 30-year cohort study of 150 Taiwanese PBC patients treated with ursodeoxycholic acid (UDCA) was conducted. Patients with alkaline phosphatase levels >1.67 × ULN after 1-year treatment were considered suboptimal responders. At baseline, of 150 patients (mean age: 53.75 years), 128 (85.3%) were females, and 34 (22.8%) had cirrhosis. The cumulative incidences of various incident events were all-cause mortality or liver transplantation: 46.7%; extrahepatic mortality: 24.5%; extrahepatic malignancies: 8.1%; hypertension: 46.2%; dyslipidemia: 44.1%; diabetes: 30.6%; hyperuricemia: 11.2%; acute coronary syndrome: 3.1%; cerebral vascular accident (CVA): 8.9%; autoimmune diseases: 16%; and osteoporosis: 20.9%. The 5- to 20-year cumulative incidences for all-cause mortality or liver transplantation and extrahepatic mortality were 16.2–41.3% and 3.1–11.9%, respectively. Baseline associations were age and alpha-fetoprotein levels with extrahepatic mortality, 80% due to sepsis; age with extrahepatic malignancies and hypertension; gender and hyperuricemia with CVA; and UDCA response with autoimmune disease. Conclusions: Sepsis accounted for most extrahepatic mortality in PBC patients, and the longer the follow-up was, the higher the extrahepatic/all-cause mortality ratio. Baseline age is crucial for incident extrahepatic events and only CVA shows gender-dimorphism; the association between UDCA response and autoimmune disease requires further investigation.
Clinical features for diagnosis of pneumonia among adults in primary care setting: A systematic and meta-review
Authors: Htun Tha Pyai , Sun Yinxiaohe , Chua Hui Lan , Pang Junxiong
Published: May 2019

Pneumonia results in significant morbidity and mortality worldwide. However, chest radiography may not be accessible in primary care setting. We aimed to evaluate clinical features and its diagnostic value to identify pneumonia among adults in primary care settings. Three academic databases were searched and included studies that assessed clinical predictors of pneumonia, adults without serious illness, have CXR and have conducted in primary care settings. We calculated sensitivity, specificity, positive and negative likelihood ratios, diagnostic odds ratio of each index test and the pool estimates for index tests. We identified 2,397 articles, of which 13 articles were included. In our meta-analysis, clinical features with the best pooled positive likelihood ratios were respiratory rate ≥20 min−1 (3.47; 1.46–7.23), temperature ≥38 °C (3.21; 2.36–4.23), pulse rate >100 min−1 (2.79; 1.71–4.33), and crackles (2.42; 1.19–4.69). Laboratory testing showed highest pooled positive likelihood ratios with PCT >0.25 ng/ml (7.61; 3.28–15.1) and CRP > 20 mg/l (3.76; 2.3–5.91). Cough, pyrexia, tachycardia, tachypnea, and crackles are limited as a single predictor for diagnosis of radiographic pneumonia among adults. Development of clinical decision rule that combine these clinical features together with molecular biomarkers may further increase overall accuracy for diagnosis of radiographic pneumonia among adults in primary care setting.
Genetic analyses of human fetal retinal pigment epithelium gene expression suggest ocular disease mechanisms
Authors: Liu Boxiang , Calton Melissa A. , Abell Nathan S. , Benchorin Gillie , Gloudemans Michael J. , Chen Ming , Hu Jane , Li Xin , Balliu Brunilda , Bok Dean , Montgomery Stephen B. , Vollrath Douglas
Published: May 2019

The retinal pigment epithelium (RPE) serves vital roles in ocular development and retinal homeostasis but has limited representation in large-scale functional genomics datasets. Understanding how common human genetic variants affect RPE gene expression could elucidate the sources of phenotypic variability in selected monogenic ocular diseases and pinpoint causal genes at genome-wide association study (GWAS) loci. We interrogated the genetics of gene expression of cultured human fetal RPE (fRPE) cells under two metabolic conditions and discovered hundreds of shared or condition-specific expression or splice quantitative trait loci (e/sQTLs). Co-localizations of fRPE e/sQTLs with age-related macular degeneration (AMD) and myopia GWAS data suggest new candidate genes, and mechanisms by which a common RDH5 allele contributes to both increased AMD risk and decreased myopia risk. Our study highlights the unique transcriptomic characteristics of fRPE and provides a resource to connect e/sQTLs in a critical ocular cell type to monogenic and complex eye disorders.
A liquid crucible model for aggregation of phenylacetylene in the gas phase
Authors: Mishra Saurabh , Sahoo Dipak Kumar , Hsu Po-Jen , Matsuda Yoshiyuki , Kuo Jer-Lai , Biswal Himansu S. , Patwari G. Naresh
Published: May 2019

Structural transformation from a π-stacked dimer to an aromatic C–H⋯π trimer and a tetramer.
X-ray-activated nanosystems for theranostic applications
Authors: Chen Xiaofeng , Song Jibin , Chen Xiaoyuan , Yang Huanghao
Published: May 2019

We systematically provide an overview of X-ray-sensitive materials and the recent progress on X-ray-activated nanosystems for cancer-associated theranostic applications.
Three-dimensional simulations of undulatory and amoeboid swimmers in viscoelastic fluids
Authors: Binagia Jeremy P. , Guido Christopher J. , Shaqfeh Eric S. G.
Published: May 2019

We explore swimming speeds of C. elegans and amoeboids in viscoelastic fluids with three-dimensional, large amplitude simulations.
A FRET-based ratiometric fluorescent probe for sensing trace water in organic solvents
Authors: Yang Di , Cao Xiang-Jian , Wu Xiao-Tian , Yang Zai-Xiao , Zhao Bao-Xiang
Published: May 2019

A new ratiometric fluorescent probe for the detection of water in organic solvents with low limit of detection and large Stokes shift.
Ratiometric fluorescence detection of trace water in an organic solvent based on bimetallic lanthanide metal–organic frameworks
Authors: Li Beibei , Wang Wenjing , Hong Zixiao , El-Sayed El-Sayed M. , Yuan Daqiang
Published: May 2019

A highly sensitive sensor Tb97.11Eu2.89-L1, which is an excellent water-sensing material for detecting trace water in an organic solvent, is reported.
(H3O)HCs2Nb(IO3)9 and SrNbO(IO3)5: a facile synthetic method using hydrofluoric acid as a solubilizer
Authors: Mao Fei-Fei , Hu Chun-Li , Chen Jin , Tang Ru-Ling , Wu Bao-Lin , Mao Jiang-Gao
Published: May 2019

Niobium iodates with an obvious cation-controlled polarity shift and a facile synthetic method using hydrofluoric acid as a solubilizer.
Total synthesis and antimalarial activity of mortiamides A–D
Authors: Bérubé Christopher , Gagnon Dominic , Borgia Alexandre , Richard Dave , Voyer Normand
Published: May 2019

This work describes the first total synthesis of mortiamides and their anti-malarial activity against a multi-drug resistant strain of Plasmodium falciparum.
Vanadium carbide: an efficient, robust, and versatile cocatalyst for photocatalytic hydrogen evolution under visible light
Authors: Tian Lei , Min Shixiong , Lei Yonggang , Chen Shasha , Wang Fang
Published: May 2019

Vanadium carbide (VC) can serve as a highly efficient, robust, and versatile cocatalyst for photocatalytic hydrogen evolution under visible light.
Flexible piezoelectric energy harvesters using different architectures of ferrite based nanocomposites
Authors: Chinya Ipsita , Sasmal Abhishek , Pal Avijit , Sen Shrabanee
Published: May 2019

Electroactive phase transition in polyvinylidene fluoride (PVDF) can be economically achieved readily by addition of nanofillers.
Formation dynamics of mesocrystals composed of organically modified CeO2 nanoparticles: analogy to a particle formation model
Authors: Litwinowicz Andrzej-Alexander , Takami Seiichi , Asahina Shunsuke , Hao Xiaodong , Yoko Akira , Seong Gimyeong , Tomai Takaaki , Adschiri Tadafumi
Published: May 2019

Mesocrystals, non-classical crystalline nanostructured materials composed of aligned nanoparticles, present analogous behavior to ordinary particle formation.
Chemical kinetics of H-abstractions from dimethyl amine by H, CH3, OH, and HO2 radicals with multi-structural torsional anharmonicity
Authors: Shang Yanlei , Ning Hongbo , Shi Jinchun , Wang Hongyan , Luo Sheng-Nian
Published: May 2019

Dimethyl amine (DMA) is identified as a promising nitrogen-containing fuel candidate.
Pretransitional behavior of viscoelastic parameters at the nematic to twist-bend nematic phase transition in flexiblen-mers
Authors: Parsouzi Zeinab , Babakhanova Greta , Rajabi Mojtaba , Saha Rony , Gyawali Prabesh , Turiv Taras , Wang Hao , Baldwin Alan R. , Welch Chris , Mehl Georg H. , Gleeson J. T. , Jakli Antal , Lavrentovich Oleg D. , Sprunt Samuel
Published: May 2019

We report dynamic light scattering measurements of the orientational (Frank) elastic constants and associated viscosities among a homologous series of a liquid crystalline dimer, trimer, and tetramer exhibiting a uniaxial nematic (N) to twist-bend nematic (NTB) phase transition.
Visible light driven efficient metal free single atom catalyst supported on nanoporous carbon nitride for nitrogen fixation
Authors: Bhattacharyya Kalishankar , Datta Ayan
Published: May 2019

The production of ammonia (NH3), an important carbon-free chemical, through nitrogen (N2) fixation under mild conditions, is one of the most challenging and attractive chemical processes for industrial applications.
Vibrational spectroscopy and density of K2O–B2O3–GeO2 glasses with variable B/Ge ratio
Authors: Koroleva Olga N. , Shtenberg Mikhail V. , Zainullina Rimma T. , Lebedeva Svetlana M. , Nevolina Lyubov A.
Published: May 2019

Glasses of the K2O–B2O3–GeO2 system were studied by means of Raman and IR spectroscopy.
Stretch dependent electronic structure and vibrational energy of the bipyridine single molecule junction
Authors: Kobayashi S. , Kaneko S. , Fujii S. , Nishino T. , Tsukagoshi K. , Kiguchi M.
Published: May 2019

Change in the molecular orbital energy and vibrational energy of the bipyridine single molecule junction as a function of stretch distance.
Spatial decoupling of macrocyclic metal–organic complexes from a metal support: a 4-fluorothiophenol self-assembled monolayer as a thermally removable spacer
Authors: Deimel Peter S. , Feulner Peter , Barth Johannes V. , Allegretti Francesco
Published: May 2019

A self-assembled monolayer of 4-fluorothiophenol serves as a thermally removable spacer to decouple adsorbed metal–organic complexes from a Ag(111) support.
Block copolymers as bile salt sequestrants: intriguing structures formed in a mixture of an oppositely charged amphiphilic block copolymer and bile salt
Authors: Schillén Karin , Galantini Luciano , Du Guanqun , Del Giudice Alessandra , Alfredsson Viveka , Carnerup Anna M. , Pavel Nicolae V. , Masci Giancarlo , Nyström Bo
Published: May 2019

Electrostatically driven co-assembly of oppositely charged block copolymers and bile salt anticipates bile salt sequestration based on amphiphilic block copolymers.
Interface-tuned selective reductive coupling of nitroarenes to aromatic azo and azoxy: a first-principles-based microkinetics study
Authors: Zhang Lidong , Shao Zheng-Jiang , Cao Xiao-Ming , Hu P.
Published: May 2019

It is of great importance to regulate a catalyst to control its selectivity. In general, the Pt catalyzed hydrogenation of nitrobenzene (PhNO2) would produce aniline.
A Monte Carlo model for self-assembly of polytetrafluoroethylene nanoparticle films via repulsive electrostatic interactions
Authors: Chen Shuai , Du Chuan , Feng Dong , Chen Chaolang , Wang Jiadao
Published: May 2019

This work formulates a Monte Carlo model to make predictions on the repulsive electrostatic self-assembly of close-packed monolayer and multilayer PTFE nanoparticle films.
Opening 2,2-diphenyl-2H-chromene to infrared light
Authors: Strudwick Benjamin H. , O’Bryen Christopher , Sanders Hans J. , Woutersen Sander , Buma Wybren Jan
Published: May 2019

Opening a prototypical chromene compound using UV radiation and witnessing the evolution of the photoactivated structures with infrared light.
An elevated concentration of MoS2 lowers the efficacy of liquid-phase exfoliation and triggers the production of MoOx nanoparticles
Authors: Bodík Michal , Annušová Adriana , Hagara Jakub , Mičušík Matej , Omastová Mária , Kotlár Mário , Chlpík Juraj , Cirák Július , Švajdlenková Helena , Anguš Michal , Roldán Alicia Marín , Veis Pavel , Jergel Matej , Majkova Eva , Šiffalovič Peter
Published: May 2019

The oxidation of MoS2 with a simultaneous decrease of MoS2 content.
Equations of the state of hard sphere fluids based on recent accurate virial coefficients B5–B12
Authors: Tian Jianxiang , Jiang Hua , Mulero A.
Published: May 2019

A review on the numerical virial coefficients, compressibility factor, fluid–solid phase transition point and equations of the state of hard sphere fluids.
Stabilization of 2D graphene, functionalized graphene, and Ti2CO2(MXene) in super-critical CO2: a molecular dynamics study
Authors: Khaledialidusti Rasoul , Mahdavi Ehsan , Barnoush Afrooz
Published: May 2019

The stabilization of nanoparticles is a main concern to produce an efficient nanofluid.
Infrared multiple photon dissociation action spectroscopy of protonated glycine, histidine, lysine, and arginine complexed with 18-crown-6 ether
Authors: McNary Christopher P. , Nei Y.-W. , Maitre Philippe , Rodgers M. T. , Armentrout P. B.
Published: May 2019

IRMPD action spectroscopy elucidates the binding modes of protonated amino acids with 18C6 crown ether.
Hydrogenated polycyclic aromatic hydrocarbons (HnPAHs) as catalysts for hydrogenation reactions in the interstellar medium: a quantum chemical model
Authors: Ferullo Ricardo M. , Zubieta Carolina E. , Belelli Patricia G.
Published: May 2019

Density functional studies show that neutral HnPAHs are able to catalyze the formation of water with no activation barrier.
Co-incorporation of alkali metal ions during amorphous calcium carbonate precipitation and their stabilizing effect
Authors: Jensen Anders C. S. , Birkedal Henrik , Bertinetti Luca
Published: May 2019

Alkali metal ions incorporate in amorphous calcium carbonate and affect its thermal stability.
Two three-dimensional [MoIII(CN)7]4−-based magnets showing new topologies and ferrimagnetic ordering below 80 K
Authors: Wei Xiao-Qin , Wang Kang-Jie , Wu Dong-Qing , Shao Dong , Shi Le , Shen Fu-Xing , Wei Hai-Yan , Wang Xin-Yi
Published: May 2019

Two 3D [MoIII(CN)7]4−-based magnets with new topologies and ferrimagnetic ordering below 80 K have been prepared using different amides as auxiliary ligands.
The catalytic activities and magnetic behaviours of rare μ3-chlorido and μ1,1,1-azido bridged defective dicubane tetranuclear Mn(ii) complexes
Authors: Das Avijit , Chakraborty Maharudra , Maity Souvik , Ghosh Ashutosh
Published: May 2019

A μ3-chlorido and a μ1,1,1-azido bridged defective dicubane tetranuclear Mn(ii) complexes of polynucleating Mannich base ligand show significant catalytic oxidase activities and are antiferromagnetically coupled which is rationalized by DFT calculations.
Synthesis and molecular structure of enantiomerically pure pentadienyl complexes of the rare-earth metals
Authors: Fecker Ann Christin , Freytag Matthias , Jones Peter G. , Walter Marc D.
Published: May 2019

The first enantiomerically pure pentadienyl complexes of the rare-earth metals are reported.
Bacteriophage inactivation as a function of ferrous iron oxidation
Authors: Heffron Joe , McDermid Brad , Mayer Brooke K.
Published: May 2019

Iron-based disinfection has been promoted as a potential low-cost, low-byproduct means of virus mitigation.
Organic fouling of membrane distillation for shale gas fracturing flowback water desalination: a special interest in the feed properties by pretreatment
Authors: Kong Fan-Xin , Wang Ze-Peng , Ji Zhe , Chen Jin-Fu , Guo Chun-Mei , Sun Guang-Dong , Xie Yuefeng F.
Published: May 2019

Shale gas fracturing flowback water (SGFFW) contains a high concentration of colloids and organics, which can cause severe water flux decline for membrane distillation (MD).
Interactions of carbon quantum dots from roasted fish with digestive protease and dopamine
Authors: Song Yukun , Cao Lin , Li Jiaqi , Cong Shuang , Li Dongmei , Bao Zhijie , Tan Mingqian
Published: May 2019

The carbon quantum dots from roasted fish interacted with digestive protease and dopamine.
Profiling of histone 3 lysine 27 acetylation reveals its role in a chronic DSS-induced colitis mouse model
Authors: Chen Meng , Li Qinglan , Cao Nan , Deng Yanan , Li Lianyun , Zhao Qiu , Wu Min , Ye Mei
Published: May 2019

Inflammatory bowel disease (IBD) is a chronic inflammatory condition of the gastrointestinal tract.
Direct oxidative esterification of primary alcohols and oxidation of secondary alcohols over mesoporous spherical silica encapsulated MnO2nanoparticles
Authors: Zare Hosseinzadeh Shahram , Babazadeh Mirzaagha , Shahverdizadeh Gholam Hossein , Hosseinzadeh-Khanmiri Rahim
Published: May 2019

In this work, a simple and efficient strategy for the fabrication of novel encapsulated MnO2nanoparticles inside spherical mesoporous silica hollow-nanoparticles was described.
Design and fabrication of polyaniline/Bi2MoO6 nanocomposites for enhanced visible-light-driven photocatalysis
Authors: Feng Tiantian , Yin Hao , Jiang Hao , Chai Xin , Li Xinle , Li Deyang , Wu Jing , Liu Xuanhe , Sun Bing
Published: May 2019

PANI/Bi2MoO6 composites with improved photoelectrochemical performance and accessible interfacial active sites were fabricated for enhanced visible-light-driven photocatalytic degradation of RhB.
Acetic acid mediated regioselective synthesis of 2,4,5-trisubstituted thiazoles by a domino multicomponent reaction
Authors: Saroha Mohit , Khurana Jitender M.
Published: May 2019

Acetic acid mediated regioselective synthesis of novel 2,4,5-trisubstituted thiazole derivatives has been reported by a domino reaction of thiosemicarbazide and aldehydes/ketones/isatin, to generate thiosemicarbazones (in situ) followed by addition of arylglyoxal and active methylene/activated C–H acids/pyrazole/indole in ethanol at 80 °C.
A copper-amidocarboxylate based metal organic macrocycle and framework: synthesis, structure and catalytic activities towards microwave assisted alcohol oxidation and Knoevenagel reactions
Authors: Karmakar Anirban , Soliman Mohamed M. A. , Alegria Elisabete C. B. A. , Rúbio Guilherme M. D. M. , Guedes da Silva M. Fátima C. , Pombeiro Armando J. L.
Published: May 2019

Two new Cu(ii) based macrocycle and MOF act as catalysts for the microwave-assisted oxidation and Knoevenagel reactions.
Ternary PtRuCu aerogels for enhanced methanol electrooxidation
Authors: Wang Hengjia , Wu Yu , Luo Xin , Jiao Lei , Wei Xiaoqian , Gu Wenling , Du Dan , Lin Yuehe , Zhu Chengzhou
Published: May 2019

Ternary PtRuCu aerogels were facilely synthesized by one-step in situ reduction, which exhibited good electrochemical performance for methanol oxidation.
N-Doped amorphous MoSx for the hydrogen evolution reaction
Authors: Ding Ruimin , Wang Mengchao , Wang Xianfen , Wang Huixiang , Wang Liancheng , Mu Yuewen , Lv Baoliang
Published: May 2019

The functions of a N dopant in an efficient HER catalyst, N-doped MoSx, were studied by a combined experimental and calculation method.
Machine learning a bond order potential model to study thermal transport in WSe2nanostructures
Authors: Chan Henry , Sasikumar Kiran , Srinivasan Srilok , Cherukara Mathew , Narayanan Badri , Sankaranarayanan Subramanian K. R. S.
Published: May 2019

Nanostructures of transition metal di-chalcogenides (TMDCs) exhibit exotic thermal, chemical and electronic properties, enabling diverse applications from thermoelectrics and catalysis to nanoelectronics.
Enhanced broadband fluorescence detection of nucleic acids using multipolar gap-plasmons on biomimetic Au metasurfaces
Authors: Narasimhan Vinayak , Siddique Radwanul Hasan , Hoffmann Magnus , Kumar Shailabh , Choo Hyuck
Published: May 2019

Metasurfaces fabricated through a simple and scalable biomimetic technique are used to detect nucleic acids through gap-plasmon-enhanced broadband fluorescence.
Design of atomically dispersed catalytic sites for photocatalytic CO2 reduction
Authors: Xia Tong , Long Ran , Gao Chao , Xiong Yujie
Published: May 2019

This Minireview highlights recent key developments of atomically dispersed catalytic sites for photocatalytic CO2 reduction and elucidates the common fundamentals behind various materials systems.
Metal-free synthesis of activated ynesulfonamides and tertiary enesulfonamides
Authors: Andna Lucile , Miesch Laurence
Published: May 2019

An operationally simple synthesis of activated ynesulfonamides and enesulfonamides is described.
Synthesis of 2-alkyl-2-boryl-substituted-tetrahydrofurans via copper(i)-catalysed borylative cyclization of aliphatic ketones
Authors: Kubota Koji , Uesugi Minami , Osaki Shun , Ito Hajime
Published: May 2019

A new method was developed for synthesizing 2-alkyl-2-boryl-tetrahydrofuran derivatives from aliphatic ketones using a copper(i)/N-heterocyclic carbene complex catalyst.
Borylative cyclisation of diynes using BCl3 and borocations
Authors: Warner Andrew J. , Enright Kieron M. , Cole John M. , Yuan Kang , McGough John S. , Ingleson Michael J.
Published: May 2019

Products from the borylative cyclisation of diynes using BCl3 is dependent on substituent effects, however, some control of product outcome is achieved using borocations or BCl3 in the presence of [BCl4]−.
Layer-by-layer growth in solution deposition of monocrystalline lead sulfide thin films on GaAs(111)
Authors: Templeman Tzvi , Perez Maayan , Friedman Ofir , Abutbul Ran Eitan , Shandalov Michael , Ezersky Vladimir , Konovalov Oleg , Golan Yuval
Published: May 2019

In situ synchrotron GIXD showed layer-by-layer growth in solution deposited monocrystalline thin films of lead sulfide on GaAs(111).
Gold-catalyzed dual annulation of azide-tethered alkynes with nitriles: expeditious synthesis of oxazolo[4,5-c]quinolines
Authors: Su Han , Bao Ming , Pei Chao , Hu Wenhao , Qiu Lihua , Xu Xinfang
Published: May 2019

A gold-catalyzed dual annulation of azide-tethered internal alkynes, which provides convenient access to quinoline derivatives, has been reported.
Efficiencyvs.stability: dopant-free hole transporting materials towards stabilized perovskite solar cells
Authors: Rakstys Kasparas , Igci Cansu , Nazeeruddin Mohammad Khaja
Published: May 2019

Doping of hole transporting materials typically increases the efficiency of perovskite solar cells but remains questionable for overall device stability.
Deep pool water-impacts of viscous oil droplets
Authors: Jain Utkarsh , Jalaal Maziyar , Lohse Detlef , van der Meer Devaraj
Published: May 2019

We experimentally study the impacts of viscous, immiscible oil drops into a deep pool of water.
Three-dimensional yielding in anisotropic materials: validation of Hill's criterion
Authors: Kaushal Manish , Joshi Yogesh M.
Published: May 2019

Three-dimensional yielding transition in an anisotropic soft material under superposition of the orthogonal deformation fields validates the Hill's yielding criterion.
Effect of processing and end groups on the crystal structure of polypeptoids studied by cryogenic electron microscopy at atomic length scales
Authors: Jiang Xi , Xuan Sunting , Kundu Joyjit , Prendergast David , Zuckermann Ronald N. , Balsara Nitash P.
Published: May 2019

Imaging two dominant crystal motifs in self-assembled polypeptoid crystalline nanosheets with 2.1 Å resolution.
Sum of peak intensities outperforms peak area integration in iTRAQ protein expression measurement by LC-MS/MS using a TripleTOF 5600+ platform
Authors: Burat Bastien , Gonzalez Julien , Sauvage François-Ludovic , Aouad Hassan , Arnion Hélène , Pinault Emilie , Marquet Pierre , Essig Marie
Published: May 2019

In the field of quantitative proteomics, the Isobaric Tags for Relative and Absolute Quantitation (iTRAQ) technology has demonstrated efficacy for proteome monitoring despite its lack of a consensus for data handling. In the present study, after peptide and protein identification, we compared the widespread quantitation method based on the calculation of MS/MS reporter ion peaks areas ratios (ProteinPilot) to the alternative method based on the calculation of ratios of the sum of peak intensities (jTRAQx [Quant]) and we processed output data with the in-house Customizable iTRAQ Ratios Calculator (CiR-C) algorithm. Quantitation based on peak area ratios displayed no significant linear correlation with Western blot quantitation. In contrast, quantitation based on the sum of peak intensities displayed a significant linear association with Western blot quantitation (non-zero slope; Pearson correlation coefficient test, r = 0.296, P=0.010**) with an average bias of 0.087 ± 0.500 and 95% Limits of Agreement from −0.893 to 1.068. We proposed the Mascot-jTRAQx-CiR-C strategy as a simple yet powerful data processing adjunct to the iTRAQ technology.
Planetesimal formation in an evolving protoplanetary disk with a dead zone
Authors: Charnoz Sébastien , Pignatale Francesco C. , Hyodo Ryuki , Mahan Brandon , Chaussidon Marc , Siebert Julien , Moynier Frédéric
Published: May 2019

Context. When and where planetesimals form in a protoplanetary disk are highly debated questions. Streaming instability is considered the most promising mechanism, but the conditions for its onset are stringent. Disk studies show that the planet forming region is not turbulent because of the lack of ionization forming possibly dead zones (DZs).

Aims. We investigate planetesimal formation in an evolving disk, including the DZ and thermal evolution.

Methods. We used a 1D time-evolving stratified disk model with composite chemistry grains, gas and dust transport, and dust growth.

Results. Accretion of planetesimals always develops in the DZ around the snow line, due to a combination of water recondensation and creation of dust traps caused by viscosity variations close to the DZ. The width of the planetesimal forming region depends on the disk metallicity. For Z = Z⊙, planetesimals form in a ring of about 1 au width, while for Z > 1.2 Z⊙ planetesimals form from the snow line up to the outer edge of the DZ ≃ 20 au. The efficiency of planetesimal formation in a disk with a DZ is due to the very low effective turbulence in the DZ and to the efficient piling up of material coming from farther away; this material accumulates in region of positive pressure gradients forming a dust trap due to viscosity variations. For Z = Z⊙ the disk is always dominated in terms of mass by pebbles, while for Z > 1.2 Z⊙ planetesimals are always more abundant than pebbles. If it is assumed that silicate dust is sticky and grows up to impact velocities ~10 m s−1, then planetesimals can form down to 0.1 au (close to the inner edge of the DZ). In conclusion the DZ seems to be a sweet spot for the formation of planetesimals: wide scale planetesimal formation is possible for Z > 1.2 Z⊙. If hot silicate dust is as sticky as ice, then it is also possible to form planetesimals well inside the snow line.
Fully automated integral field spectrograph pipeline for the SEDMachine: pysedm
Authors: Rigault M. , Neill J. D. , Blagorodnova N. , Dugas A. , Feeney M. , Walters R. , Brinnel V. , Copin Y. , Fremling C. , Nordin J. , Sollerman J.
Published: May 2019

Current time domain facilities are discovering hundreds of new galactic and extra-galactic transients every week. Classifying the ever-increasing number of transients is challenging, yet crucial to furthering our understanding of their nature, discovering new classes, and ensuring sample purity, for instance, for Supernova Ia cosmology. The Zwicky Transient Facility is one example of such a survey. In addition, it has a dedicated very-low resolution spectrograph, the SEDMachine, operating on the Palomar 60-inch telescope. This spectrograph’s primary aim is object classification. In practice most, if not all, transients of interest brighter than ∼19 mag are typed. This corresponds to approximately 10–15 targets a night. In this paper, we present a fully automated pipeline for the SEDMachine. This pipeline has been designed to be fast, robust, stable and extremely flexible. pysedm enables the fully automated spectral extraction of a targeted point source object in less than five minutes after the end of the exposure. The spectral color calibration is accurate at the few percent level. In the 19 weeks since pysedm entered production in early August of 2018, we have classified, among other objects, about 400 Type Ia supernovae and 140 Type II supernovae. We conclude that low resolution, fully automated spectrographs such as the “SEDMachine with pysedm” installed on 2-m class telescopes within the southern hemisphere could allow us to automatically and simultaneously type and obtain a redshift for most (if not all) bright transients detected by LSST within z <  0.2, notably potentially all Type Ia Supernovae. In comparison with the current SEDM design, this would require higher spectral resolution (R ≳ 1000) and slightly improved throughput. With this perspective in mind, pysedm is designed to easily be adaptable to any IFU-like spectrograph.
Rotation rate of the solar core as a key constraint to magnetic angular momentum transport in stellar interiors
Authors: Eggenberger P. , Buldgen G. , Salmon S. J. A. J.
Published: May 2019

Context. The internal rotation of the Sun constitutes a fundamental constraint when modelling angular momentum transport in stellar interiors. In addition to the more external regions of the solar radiative zone probed by pressure modes, measurements of rotational splittings of gravity modes would offer an invaluable constraint on the rotation of the solar core.

Aims. We study the constraints that a measurement of the core rotation rate of the Sun could bring on magnetic angular momentum transport in stellar radiative zones.

Methods. Solar models accounting for angular momentum transport by hydrodynamic and magnetic instabilities were computed for different initial velocities and disc lifetimes on the pre-main sequence to reproduce the surface rotation velocities observed for solar-type stars in open clusters. The internal rotation of these solar models was then compared to helioseismic measurements.

Results. We first show that models computed with angular momentum transport by magnetic instabilities and a recent prescription for the braking of the stellar surface by magnetized winds can reproduce the observations of surface velocities of stars in open clusters. These solar models predict both a flat rotation profile in the external part of the solar radiative zone probed by pressure modes and an increase in the rotation rate in the solar core, where the stabilizing effect of chemical gradients plays a key role. A rapid rotation of the core of the Sun, as suggested by reported detections of gravity modes, is thus found to be compatible with angular momentum transport by magnetic instabilities. Moreover, we show that the efficiency of magnetic angular momentum transport in regions of strong chemical gradients can be calibrated by the solar core rotation rate independently from the unknown rotational history of the Sun. In particular, we find that a recent revised prescription for the transport of angular momentum by the Tayler instability can be easily distinguished from the original Tayler–Spruit dynamo, with a faster rotating solar core supporting the original prescription.

Conclusions. By calibrating the efficiency of magnetic angular momentum transport in regions of strong chemical gradients, a determination of the solar core rotation rate through gravity modes is of prime relevance not only for the Sun, but for stars in general, since radial differential rotation precisely develops in these regions during the more advanced stages of evolution.
Interpolation of equation-of-state data
Authors: Baturin V. A. , Däppen W. , Oreshina A. V. , Ayukov S. V. , Gorshkov A. B.
Published: May 2019

Aims. We use Hermite splines to interpolate pressure and its derivatives simultaneously, thereby preserving mathematical relations between the derivatives. The method therefore guarantees that thermodynamic identities are obeyed even between mesh points. In addition, our method enables an estimation of the precision of the interpolation by comparing the Hermite-spline results with those of frequent cubic (B-) spline interpolation.

Methods. We have interpolated pressure as a function of temperature and density with quintic Hermite 2D-splines. The Hermite interpolation requires knowledge of pressure and its first and second derivatives at every mesh point. To obtain the partial derivatives at the mesh points, we used tabulated values if given or else thermodynamic equalities, or, if not available, values obtained by differentiating B-splines.

Results. The results were obtained with the grid of the SAHA-S equation-of-state (EOS) tables. The maximum lgP difference lies in the range from 10−9 to 10−4, and Γ1 difference varies from 10−9 to 10−3. Specifically, for the points of a solar model, the maximum differences are one order of magnitude smaller than the aforementioned values. The poorest precision is found in the dissociation and ionization regions, occurring at T ∼ 1.5 × 103−105 K. The best precision is achieved at higher temperatures, T >  105 K. To discuss the significance of the interpolation errors we compare them with the corresponding difference between two different equation-of-state formalisms, SAHA-S and OPAL 2005. We find that the interpolation errors of the pressure are a few orders of magnitude less than the differences from between the physical formalisms, which is particularly true for the solar-model points.