bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Water‐Soluble Peptoid that Can Extract Cu2+ from Metallothionein via Selective Recognition
Authors: Ghosh Pritam , Maayan Galia 
Published: September 2020

AbstractSelective binding of Cu2+ in water medium by a synthetic chelator is a promising therapeutic approach towards the treatment of various diseases including cancer. Chelation of Cu2+ is well exercised, however water‐soluble synthetic chelators that can selectively bind Cu2+ from a pool of competing metal ions at very high excess and/or can extract Cu2+ from a protein are hardly reported. Herein we describe the design and synthesis of an acetylated peptoid—N‐substituted glycine trimer—that incorporates a picolyl group at the N‐terminal, a non‐coordinating but structurally directing bulky chiral phenylethyl group at the C‐terminus and a modified 2,2′‐bipyridine group (PCA‐Nspe), which selectively binds Cu2+ to form a water‐soluble complex. We further demonstrate that the selectivity of PCA‐Nspe to Cu2+ is thermodynamically driven, leading to specific binding of Cu2+ in an aqueous solution containing up to 60‐fold excess of other biologically relevant metal ions such as Zn2+, Co2+, Mn2+, Ca2+, Mg2+, K+ and Na+. Based on spectroscopic data and DFT calculations of PCA‐Nspe as well as of a control peptoid having an achiral benzyl group instead of the phenylethyl side chain, we could suggest that the chiral and bulkier phenylethyl group at the C‐terminus controls the preorganization of the two ligands, and this might play a role in the selectivity of PCA‐Nspe. Significantly, we show that PCA‐Nspe can extract Cu2+ from the natural copper binding protein metallothionein.
Bioinspired Divergent Oxidative Cyclization from Strictosidine and Vincoside Derivatives: Second‐Generation Total Synthesis of (−)‐Cymoside and Access to an Original Hexacyclic‐Fused Furo[3,2‐b]indoline
Authors: Dou Yingchao , Kouklovsky Cyrille , Vincent Guillaume 
Published: September 2020

AbstractThe second‐generation synthesis of (−)‐cymoside as well as the formation of a new hexacyclic‐fused furo[3,2‐b]indoline framework is reported. After a Pictet–Spengler condensation between secologanin tetraacetate and tryptamine, the course of the cyclization of the 7‐hydroxyindolenine intermediate, generated by oxidation with an oxaziridine, depended on the stereochemistry of the 3‐position. The 3‐(S)‐strictosidine stereochemistry delivered efficiently the scaffold of cymoside via intramolecular coupling with the C16–C17 enol ether, while the 3‐(R)‐vincoside stereochemistry directed towards the reaction with the C18–C19 terminal alkene and the formation of the unexpected caged compound.
Structural Expansion of Chalcogenido Tetrelates in Ionic Liquids by Incorporation of Sulfido Antimonate Units
Authors: Peters Bertram , Krampe Chloé , Klärner Julian , Dehnen Stefanie 
Published: September 2020

AbstractMultinary chalcogenido (semi)metalate salts exhibit finely tunable optical properties based on the combination of metal and chalcogenide ions in their polyanionic substructure. Here, we present the structural expansion of chalcogenido germanate(IV) or stannate(IV) architectures with SbIII, which clearly affects the vibrational and optical absorption properties of the solid compounds. For the synthesis of the title compounds, [K4(H2O)4][Ge4S10] or [K4(H2O)4][SnS4] were reacted with SbCl3 under ionothermal conditions in imidazolium‐based ionic liquids. Salt metathesis at relatively low temperatures (120 °C or 150 °C) enabled the incorporation of (formally) Sb3+ ions into the anionic substructure of the precursors, and their modification to form (Cat)16[Ge2Sb2S7]6[GeS4] (1) and (Cat)6[Sn10O4S20][Sb3S4]2 (2 a and 2 b), wherein Cat=(C4C1C1Im)+ (1 and 2 a) or (C4C1C2Im)+ (2 b). In 1, germanium and antimony atoms are combined to form a rare noradamantane‐type ternary molecular anion, six of which surround an {GeS4} unit in a highly symmetric secondary structure, and finally crystallize in a diamond‐like superstructure. In 2, supertetrahedral oxo‐sulfido stannate clusters are generated, as known from the ionothermal treatment of the stannate precursor alone, yet, linked here into unprecedented one‐dimensional strands with {Sb3S4} units as linkers. We discuss the single‐crystal structures of these uncommon salts of ternary and quaternary chalcogenido (semi)metalate anions, as well as their Raman and UV‐visible spectra.
Ecologic Potential for Flexible Methanol Production from Steel Mill Off‐gases
Authors: Sadlowski Matthias , van Beek Mathias 
Published: September 2020

AbstractMethanol production is one promising way to minimize the ecological impact of the conventional steelmaking process. This synthesis needs additional hydrogen, preferably produced from a green power source. In this paper, the influence of different power supply scenarios, gas storage volumes, and hydrogen production capacities on the overall carbon saving potential – defined as carbon binding ratio – from a flexible methanol production case will be investigated. A mixed‐integer linear programming model with rolling horizon is used to calculate the optimal production plan.
Ultrathin 3 V Spinel Clothed Layered Lithium‐Rich Oxides as Heterostructured Cathode for High‐Energy and High‐Power Li‐ion Batteries†
Authors: Dai Liqin , Li Ning , Chen Lai , Su Yuefeng , Chen Cheng‐Meng , Su Fangyuan , Bao Liying , Chen Shi , Wu Feng 
Published: September 2020

Main observation and conclusionIn an attempt to overcome the drawbacks of high‐capacity layered lithium‐rich cathodes xLi2MnO3·(1–x) LiMO2 (0 < x < 1, M = Mn, Ni, and Co), the spinel clothed layered heterostructured materials, x’Li4Mn5O12·(1–x’) Li[Li0.2Mn0.55Ni0.15Co0.1]O2 (x’ = 0.01, 0.03, 0.05) have been proposed and synthesized as high‐performance cathode materials for high‐energy and high‐power Li‐ion batteries. Based on the characterizations of X‐ray diffraction (XRD), transmission electron microscopy (TEM), Raman scattering spectroscopy, it is indicated that ultrathin 3 V spinel Li4Mn5O12 has been successfully clothed on the layered lithium‐rich cathode. Electrochemical tests demonstrate the sample 0.01Li4Mn5O12·0.99 Li[Li0.2Mn0.55Ni0.15Co0.1]O2 with an ultrathin clothing layer of spinel phase, exhibits the highest reversible capacity of 289.4 mAh g–1 and maintains 259.8 mAh g–1 after 80 cycles at 0.1 C rate. Meanwhile, it delivers outstanding rate discharge capacities of 229.4 mAh g–1 at 1 C, 216.8 mAh g–1 at 2 C and 184.4 mAh g–1 at 5 C as well as alleviated voltage fade. It is believed the ultrathin clothing spinel layer plays a vital role in the modification of the materials kinetics, and structural and electrochemical stability of the heterostructured cathode.
Robust estimation of mean squared prediction error in small‐area estimation
Authors: Wu Ping , Jiang Jiming 
Published: September 2020

AbstractThe nested‐error regression model is one of the best‐known models in small area estimation. A small area mean is often expressed as a linear combination of fixed effects and realized values of random effects. In such analyses, prediction is made by borrowing strength from other related areas or sources and mean‐squared prediction error (MSPE) is often used as a measure of uncertainty. In this article, we propose a bias‐corrected analytical estimation of MSPE as well as a moment‐match jackknife method to estimate the MSPE without specific assumptions about the distributions of the data. Theoretical and empirical studies are carried out to investigate performance of the proposed methods with comparison to existing procedures.
Exploring Non‐Coding RNAs in RNAcentral
Authors: Sweeney Blake A. , Tagmazian Arina A. , Ribas Carlos E. , Finn Robert D. , Bateman Alex , Petrov Anton I. 
Published: September 2020

AbstractNon‐coding RNAs are essential for all life and carry out a wide range of functions. Information about these molecules is distributed across dozens of specialized resources. RNAcentral is a database of non‐coding RNA sequences that provides a unified access point to non‐coding RNA annotations from >40 member databases and helps provide insight into the function of these RNAs. This article describes different ways of accessing the data, including searching the website and retrieving the data programmatically over web APIs and a public database. We also demonstrate an example Galaxy workflow for using RNAcentral for RNA‐seq differential expression analysis. RNAcentral is available at https://rnacentral.org. © 2020 The Authors.Basic Protocol 1: Viewing RNAcentral sequence reportsBasic Protocol 2: Using RNAcentral text search to explore ncRNA sequencesBasic Protocol 3: Using RNAcentral sequence searchBasic Protocol 4: Using RNAcentral FTP archiveSupport Protocol 1: Using web APIs for programmatic data accessSupport Protocol 2: Using public Postgres database to export large datasetsSupport Protocol 3: Analyze non‐coding RNA in RNA‐seq datasets using RNAcentral and Galaxy
Improving the Yield and Rate of Acid‐Catalyzed Deconstruction of Lignin by Mechanochemical Activation
Authors: Patel Darpan H. , Marx Dominik , East Allan. L. L. 
Published: September 2020

AbstractLignin is a potential biomass feedstock from plant material, but it is particularly difficult to economically process. Inspired by recent ball‐milling results, state‐of‐the‐art quantum mechanochemistry calculations have been performed to isolate and probe the purely mechanochemical stretching effect alone upon acid‐catalyzed deconstruction of lignin. Effects upon cleavage of several exemplary simple ethers are examined first, and with low stretching force they all are predicted to cleave substantially faster, allowing for use of milder acids and lower temperatures. Effects upon an experimentally known lignin fragment model (containing the ubiquitous β‐O‐4 linkage) are next examined; this first required a mechanism refinement (3‐step indirect cleavage, 1‐step side reaction) and identification of the rate‐limiting step under zero‐force (thermal) conditions. Mechanochemical activation using very low stretching forces improves at first only yield, by fully shutting off the ring‐closure side reaction. At only somewhat larger forces, in stark contrast, a switch in mechanism is found to occur, from 3‐step indirect cleavage to the direct cleavage mechanism of simple ethers, finally strongly enhancing the cleavage rate of lignin. It is concluded that mechanochemical activation of the common β‐O‐4 link in lignin would improve the rate of its acidolysis via a mechanism switch past a low force threshold. Relevance to ball‐milling experiments is discussed.
Dinuclear Rhenium Complexes with a Bridging Helicene‐bis‐bipyridine Ligand: Synthesis, Structure, and Photophysical and Chiroptical Properties
Authors: Saleh Nidal , Kundu Debsouri , Vanthuyne Nicolas , Olesiak‐Banska Joanna , Pniakowska Anna , Matczyszyn Katarzyna , Chang Victoria Y. , Muller Gilles , Williams J. A. Gareth , Srebro‐Hooper Monika , Autschbach Jochen , Crassous Jeanne 
Published: September 2020

AbstractBy attaching pyridine groups to a diaza[6]helicene, a helical, bis‐ditopic, bis‐N N‐coordinating ligand can be accessed. Dinuclear rhenium complexes featuring this bridging ligand, of the form [{Re(CO)3Cl}2(N N−N N)], have been prepared and resolved to give enantiopure complexes. These complexes are phosphorescent in solution at room temperature under one‐ and two‐photon excitation. Their experimental chiroptical properties (optical rotation, electronic circular dichroism and circularly polarized emission) have been measured. They show, for instance, emission dissymmetry factors of c.a. ±3x10−3. Quantum‐chemical calculations indicate the importance of stereochemistry on the optical activity, pointing towards further design improvements in such types of complexes.
Four innovative calibration algorithms for capacitive mismatch in 18‐bit redundant split SAR ADC
Authors: Fan Hua , Lei Peng , Feng Quanyuan 
Published: September 2020

SummaryFour calibration algorithms based on the order statistics about capacitive mismatch are proposed for successive approximation register (SAR) analog‐to‐digital converter (ADC). An 18‐bit split capacitive SAR ADC architecture with redundant bits was used to verify the four calibration algorithms proposed. The main dynamic parameters of the SAR ADC were simulated in MATLAB by 500 Monte‐Carlo runs with a standard deviation of 0.1% (σ0/C0 = 0.001). And the simulation results of sorting and regrouping method II (SRGII) show that a 21.64‐dB enhancement of spurious‐free dynamic range (SFDR) and a 3.33‐bit improvement of effective number of bits (ENOB) have achieved respectively, whereas the simulation results of sorting and re‐exchanging method I (SREI) show that a 21.64‐dB enhancement of SFDR and a 3.34‐bit improvement of ENOB have achieved, respectively
A case of mammary myofibroblastoma diagnosed with cytomorphological, cell block and immunohistochemistry findings
Authors: Bağlan Tolga , Karabörk Ayça , Yavuz Metin , Genç Volkan 
Published: September 2020

AbstractMyofibroblastoma (MFB) is a rare benign spindle cell tumor originating from myofibroblasts in the breast stroma. MFB typically presents as a slow‐growing, well‐circumscribed, solitary mass ranging from 1 to 4 cm in size. It has been reported in adults, and frequently seen in older males and in postmenopausal females. The lesion is composed of stromal cells showing fibroblastic and myofibroblastic differentiation at the morphological, immunohistochemical and ultrastructural levels. To date, the literature includes only about 24 MFB cases confirmed via fine‐needle aspiration and cytological evaluation. Here, we present a patient with MFB that was diagnosed via conventional smear slides and cell block, in addition to immunohistochemical analysis.
The dynamics of epidermal stratification during post‐larval development in zebrafish
Authors: Rangel‐Huerta Emma , Guzman Aida , Maldonado Ernesto 
Published: September 2020

AbstractBackgroundThe epidermis, as a defensive barrier, is a consistent trait throughout animal evolution. During post‐larval development, the zebrafish epidermis thickens by stratification or addition of new cell layers. Epidermal basal stem cells, expressing the transcription factor p63, are known to be involved in this process. Zebrafish post‐larval epidermal stratification is a tractable system to study how stem cells participate in organ growth.MethodsWe used immunohistochemistry, in combination with EdU cell proliferation detection, to study zebrafish epidermal stratification. For this procedure, we selected a window of post‐larval stages (5‐8 mm of standard length or SL, which normalizes age by size). Simultaneously, we used markers for asymmetric cell division and the Notch signaling pathway.ResultsWe found that epidermal stratification is the consequence of several events, including changes in cell shape, active cell proliferation and asymmetrical cell divisions. We identified a subset of highly proliferative epidermal cells with reduced levels of p63, which differed from the basal stem cells with high levels of p63. Additionally, we described different mechanisms that participate in the stratification process, including the phosphorylation of p63, asymmetric cell division regulated by the Par3 and LGN proteins, and expression of Notch genes.
Small differences in root distributions allow resource niche partitioning
Authors: Kulmatiski Andrew , Beard Karen H. , Holdrege Martin C. , February Edmund C. 
Published: September 2020

Abstract

Deep roots have long been thought to allow trees to coexist with shallow‐rooted grasses. However, data demonstrating how root distributions affect water uptake and niche partitioning are uncommon.

We describe tree and grass root distributions using a depth‐specific tracer experiment six times over two years in a subtropical savanna, Kruger National Park, South Africa. These point‐in‐time measurements were then used in a soil water flow model to simulate continuous water uptake by depth and plant growth form (trees and grasses) across two growing seasons. This allowed estimates of the total amount of water a root distribution could absorb as well as the amount of water a root distribution could absorb in excess of the other rooting distribution (i.e., unique hydrological niche).

Most active tree and grass roots were in shallow soils: The mean depth of water uptake was 22 cm for trees and 17 cm for grasses. Slightly deeper rooting distributions provided trees with 5% more soil water than the grasses in a drier season, but 13% less water in a wetter season. Small differences also provided each rooting distribution (tree or grass) with unique hydrological niches of 4 to 13 mm water.

The effect of rooting distributions has long been inferred. By quantifying the depth and timing of water uptake, we demonstrated how even small differences in rooting distributions can provide plants with resource niches that can contribute to species coexistence. Differences in total water uptake and unique hydrological niche sizes were small in this system, but they indicated that tradeoffs in rooting strategies can be expected to contribute to tree and grass coexistence because 1) competitive advantages change over time and 2) plant growth forms always have access to a soil resource pool that is not available to the other plant growth form.
N‐docosahexaenoyl ethanolamine (synaptamide) has antinociceptive effects in male mice
Authors: Paton Kelly F. , Shirazi Rahau , Vyssotski Mikhail , Kivell Bronwyn M. 
Published: September 2020

AbstractBackgroundN‐docosahexaenoyl ethanolamine (DHEA; also known as synaptamide) binds to both the cannabinoid‐1 and 2 (CB1 and CB2) cannabinoid receptors and has anti‐inflammatory properties in vitro. However, the in vivo effects of DHEA remain unknown. Therefore, this study was designed to understand the effects of DHEA in models of pain and inflammation in mice.MethodsThe intraplantar formaldehyde assay, hot water tail withdrawal assay and hotplate model were used to assess the antinociceptive properties of DHEA in mice. The mechanism of action was studied by antagonising the cannabinoid receptors, transient receptor potential vanilloid 1 (TRPV1) ion channel, peroxisome proliferator‐activated receptors (PPARs) and G‐protein receptor 55 (GPR55).ResultsN‐docosahexaenoyl ethanolamine (2–10 mg/kg) reduced the levels of nociceptive and inflammatory pain‐related behaviour over 60 min in the intraplantar formaldehyde assay via both intraperitoneal and local intraplantar administration. The area under the curve analysis showed the overall antinociceptive effects of DHEA (10 mg/kg) were not modulated by pre‐treatment with antagonists for the cannabinoid receptors, TRPV1ion channel, PPARα, PPARγ or GPR55. However, the time‐course analysis showed that within the early inflammatory phase, antagonism of the CB2 receptor, PPARα and PPARγ led to a partial reversal of the antinociceptive effects of DHEA. In the hot water tail withdrawal and hotplate models of thermal nociception, DHEA (2–10 mg/kg) did not have any antinociceptive effects.ConclusionsN‐docosahexaenoyl ethanolamine reduced the level of formaldehyde‐induced nociceptive and inflammatory pain‐related behaviour; however, was not active in thermal nociceptive models. This study highlights the potential of DHEA for the treatment of acute inflammatory pain.SignificanceThis study shows that both intraperitoneal and intraplantar administration of DHEA reduces the level of formaldehyde‐induced nociceptive and inflammatory pain.
A novel framework for conditional simulation of fully nonstationary spatially varying ground motion field
Authors: Rodda Gopala Krishna , Basu Dhiman 
Published: September 2020

SummaryExisting procedures for conditionally generating the spatially varying ground motion (SVGM) through the coherency‐based methods can be broadly categorized into two approaches: (i) cross‐spectral density (CSD)‐based procedures and (ii) auto‐spectral density (ASD)‐based procedures (reported by the authors elsewhere). CSD‐based procedures consider only the phase variability, whereas ASD‐based procedures account for phase as well as the amplitude variability. However, the ASD‐based framework and most of the CSD‐based frameworks simulate the stationary SVGM, and nonstationarity is imparted through the uniform modulation, ignoring the temporal variation of the frequency content. This paper proposes an evolutionary power spectral density (EPSD)‐based framework for the simulation of nonstationary SVGM. This framework is developed in two steps. First, a new methodology based on Hilbert transform is proposed to compute the nonstationary ground motion given the EPSD, modulating functions, and phase. Second, the ASD‐based framework reported by authors elsewhere is extended to account for the EPSD, and the associated nonstationary ground motion is simulated using the proposed methodology. Nonstationary ground motions thus simulated are assessed against SMART1 array recordings. The close resemblance between the simulated accelerogram and the recorded data indicates that the proposed EPSD based framework accounts not only for the phase and amplitude variabilities but also for the nonstationarity.
Effectiveness and influencing factors of online education for caregivers of patients with eating disorders during COVID‐19 pandemic in China
Authors: Guo Lei , Wu Mengting , Zhu Zhuoying , Zhang Lei , Peng Sufang , Li Wei , Chen Han , Fernández‐Aranda Fernando , Chen Jue 
Published: September 2020

AbstractObjectiveThe goals were twofold: To estimate the depression and anxiety levels among caregivers of patients with eating disorders (ED) in China during the COVID‐19 pandemic when compared with a control group, and to assess whether an online education program was effective in decreasing the anxiety and depression of the caregivers of patients with ED, and associated factors.MethodCaregivers of patients with ED (n = 254) and a comparison group of non‐ED caregivers (N = 254) were recruited at baseline. Additionally, caregivers of patients with ED were invited into a free 4‐week online education program, with an additional online group as support. Depression and anxiety levels were assessed at baseline and after the intervention.ResultsCaregivers of patients with ED showed significantly higher levels of depression and anxiety than the comparison group of non‐ED caregivers. The online education program showed no significant effect on decreasing depression and anxiety levels of caregivers of patients with ED overall. Caregivers who had older loved ones and not living with them were more likely to decrease their depression levels. Caregivers of patients with longer illness duration were less likely to decrease their anxiety levels.DiscussionThese results showed that caregivers of ED patients suffered more serious psychological distress during the pandemic. A more structured and intensive online intervention with a limited number of participants might be required to address caregivers' distress in post‐COVID‐19 China.