bluuebunny/crossref_metadata_2025 huggingface dataset:
Compressing Double [7]Helicene by Successive Charging with Electrons
Authors: Zhou Zheng , Fu Lin , Hu Yunbin , Wang Xiao‐Ye , Wei Zheng , Narita Akimutsu , Müllen Klaus , Petrukhina Marina A.
Published: June 2020

Chemical reduction of a benzo‐fused double [7]helicene (1) with two alkali metals, K and Rb, provided access to three different reduced states of 1. The doubly‐reduced helicene 12− has been characterized by single‐crystal X‐ray diffraction as a solvent‐separated ion triplet with two potassium counterions. The triply‐ and tetra‐reduced helicenes, 13− and 14−, have been crystallized together in an equimolar ratio and both form the contact‐ion complexes with two Rb+ ions each, leaving three remaining Rb+ ions wrapped by crown ether and THF molecules. As structural consequence of the stepwise reduction of 1, the central axis of helicene becomes more compressed upon electron addition (1.42 Å in 14− vs. 2.09 Å in 1). This is accompanied by an extra core twist, as the peripheral dihedral angle increases from 16.5° in 1 to 20.7° in 14−. Theoretical calculations provided the pattern of negative charge build‐up and distribution over the contorted helicene framework upon each electron addition, and the results are consistent with the X‐ray crystallographic and NMR spectroscopic data.
30 Jahre sichere Gentechnik in Deutschland
Authors: Lütz Stephan , Liese Andreas
Published: June 2020

Die rasante Entwicklung der neuen Techniken zur Genom‐Editierung sind ein guter Anlass, um auf den aktuellen Stand der Debatte hinzuweisen. In einer gemeinsamen Stellungnahme legten die Nationale Akademie der Wissenschaften Leopoldina, die Deutsche Forschungsgemeinschaft und die Union der deutschen Akademien der Wissenschaften Vorschläge vor, um den Umgang mit den Methoden der Genom‐Editierung zu regeln.
Caught in the Hinact: Crystal Structure and Spectroscopy Reveal a Sulfur Bound to the Active Site of an O2‐stable State of [FeFe] Hydrogenase
Authors: Rodríguez‐Maciá Patricia , Galle Lisa M. , Bjornsson Ragnar , Lorent Christian , Zebger Ingo , Yoda Yoshitaka , Cramer Stephen P. , DeBeer Serena , Span Ingrid , Birrell James A.
Published: June 2020

[FeFe] hydrogenases are the most active H2 converting catalysts in nature, but their extreme oxygen sensitivity limits their use in technological applications. The [FeFe] hydrogenases from sulfate reducing bacteria can be purified in an O2‐stable state called Hinact. To date, the structure and mechanism of formation of Hinact remain unknown. Our 1.65 Å crystal structure of this state reveals a sulfur ligand bound to the open coordination site. Furthermore, in‐depth spectroscopic characterization by X‐ray absorption spectroscopy (XAS), nuclear resonance vibrational spectroscopy (NRVS), resonance Raman (RR) spectroscopy and infrared (IR) spectroscopy, together with hybrid quantum mechanical and molecular mechanical (QM/MM) calculations, provide detailed chemical insight into the Hinact state and its mechanism of formation. This may facilitate the design of O2‐stable hydrogenases and molecular catalysts.
Sound features and vocal rhythms as a proxy for locating the spawning ground ofSciaena umbrain the wild
Authors: Picciulin Marta , Fiorin Riccardo , Facca Chiara , Malavasi Stefano
Published: June 2020

The brown meagre (Sciaena umbra) is a demersal sciaenid fish recognized as indicative of good environmental quality and is defined as an umbrella species for the ecological community of rocky coastal habitats.Sciaena umbrais classified as a Vulnerable fish species by the International Union for Conservation of Nature (IUCN) and knowledge on the distribution of its spawning habitats is essential for its conservation.

Passive acoustic monitoring (PAM) is a suitable tool to monitorS. umbradistribution because of the high consistency, over space and time, of the communication sounds that this species emits during the reproductive period, with irregular or regular rhythms, or with calls merging into a chorus.

During the summer of 2019, the presence of this species was investigated acoustically at 40 listening points distributed along the tidal inlets that connect the Venice lagoon with the open sea.

Longer sounds, comprising a higher number of faster repeated pulses, were found during the chorus and were used as a proxy of spawning activity; similar sound features have been recorded in different captive Sciaenids during spawning.

The three inlets were classified as more or less suitable for spawning on the basis of the vocal rhythms identified, demonstrating a clear preference along a north–south gradient and indicating higher spawning activity in the internal‐facing areas of the inlets, compared with the seaward‐facing areas. The chorus occurred in localized areas consistently throughout the breeding season, suggesting that spawning is concentrated in preferred areas.

For the first time a relationship between the sound features and vocal rhythms of fish has been highlighted by anin situstudy. This validates the use of the chorus as a reliable natural indicator ofS. umbrabreeding sites, and in turn suggests a potential non‐invasive approach based on PAM for mapping the key reproductive areas of this vulnerable species in the Mediterranean Sea.
Rapid Synthesis of Zwitterionic Phosphonium Benzoates by a Three‐Component Coupling Involving Phosphines, Arynes and CO2
Authors: Bhattacharjee Subrata , Raju Anjali , Gaykar Rahul N. , Gonnade Rajesh G. , Roy Tony , Biju Akkattu T.
Published: June 2020

A mild and easy to perform multicomponent coupling involving phosphines, arynes generated from 2‐(trimethylsilyl)aryl triflates, and CO2 allowing the transition‐metal‐free synthesis of zwitterionic phosphonium benzoates has been developed. The reaction proceeds via the generation of 1 : 1 zwitterionic intermediates from phosphines and arynes followed by the interception with CO2 to deliver the carboxylates in moderate to good yields instead of the anticipated benzooxaphosphol‐3(1H)‐ones.
Semi‐rational engineering of an amino acid racemase that is stabilized in aqueous/organic solvent mixtures
Authors: Femmer Christian , Bechtold Matthias , Panke Sven
Published: June 2020

Enzymes are industrially applied under increasingly diverse environmental conditions that are dictated by the efforts to optimize overall process efficiency. Engineering the operational stability of biocatalysts to enhance their half‐lives under the desired process conditions is a widely applied strategy to reduce costs. Here, we present a simple method to enhance enzyme stability in the presence of monophasic aqueous/organic solvent mixtures based on the concept of strengthening the enzyme's surface hydrogen‐bond network by exchanging surface‐located amino acid residues for arginine. Suitable residues are identified from sequence comparisons with homologous enzymes from thermophilic organisms and combined using a shuffling approach to obtain an enzyme variant with increased stability in monophasic aqueous/organic solvent mixtures. With this approach, we increase the stability of the broad‐spectrum amino acid racemase of Pseudomonas putida DSM 3263 eightfold in mixtures with 40% methanol and sixfold in mixtures with 30% acetonitrile.
Long noncoding RNA MSC‐AS1 promotes hepatocellular carcinoma oncogenesis via inducing the expression of phosphoglycerate kinase 1
Authors: Cao Cong , Zhong Qiuhong , Lu Liuxue , Huang Bin , Li Jun , Meng Lianxin , Wei Hua
Published: June 2020

Background and Objectives

Increasing studies report that lncRNAs are dysregulated in hepatocellular carcinoma (HCC), which might function as significant diagnostic biomarkers of HCC. LncRNA MSC‐AS1 has been newly discovered in several cancers. However, its biological effect in HCC remains to be clearly elucidated. The aim of our work was to test MSC‐AS1 expression level and assess its function in HCC progression.

Methods

Expression levels of MSC‐AS1 and PGK1 in HCC were tested by qRT‐PCR in HCC cells including HUH‐7, BEL‐7404, SNU449, HepG2, QGY‐7701, and human normal liver cells (HL‐7702 cells). Association of MSC‐AS1 expression with various clinicopathological features and patients’ survival were analyzed by chi‐squared test and Kaplan‐Meier, respectively. The functions of MSC‐AS1 in HCC cells were investigated using EdU assay, colony formation, flow cytometry, would healing assay, and Transwell matrigel invasion assays. The correlation between MSC‐AS1 and PGK1 was confirmed using a RIP assay. Protein expression of PGK1 was evaluated using a western blot assay.

Results

MSC‐AS1 was obviously upregulated in HCC tissues and HCC cells. Knockdown of MSC‐AS1 repressed HepG2 and BEL‐7404 cell proliferation, colony formation capacity, and triggered cell apoptosis. HepG2 and BEL‐7404 cell cycle was blocked in G1 phase and cell migration/invasion was remarkably depressed. Downregulation of MSC‐AS1 in HCC cells reduced PGK1 expression. In vivo data demonstrated that silence of MSC‐AS1 suppressed HCC development via activating PGK1.

Conclusions

Taken these together, we indicated that MSC‐AS1 promoted HCC oncogenesis via inducing the expression of PGK1.
Design of an Accurate Machine Learning Algorithm to Predict the Binding Energies of Several Adsorbates on Multiple Sites of Metal Surfaces
Authors: Praveen C. S. , Comas‐Vives Aleix
Published: June 2020

In the current work, we design a single unique machine learning (ML) algorithm capable of predicting the binding energies of several C, N and O‐based adsorbates and atomic hydrogen on different facets (100, 111, 211) of eleven transition‐metals considering an FCC bulk structure (Co, Rh, Ir, Ni, Pd, Pt, Ru, Os, Cu, Ag, Au) with high accuracy with respect to the reference DFT calculations. The selected properties/features are based on already available data or electronic properties easily obtained from DFT calculations of the free adsorbates and on the clean metal surfaces. The mean average error (MAE) for the training set is equal to 0.074 eV, while for the test set (data not used in training) is equal to 0.174 eV, thus having a very small error with respect to the reference DFT calculations. Further modifications of the present algorithm, which is based on an Extragradient boost (XGBoost) regressor in combination with a tree booster, with the addition of few more features might set the ground to develop ML algorithms able to predict the binding energies of adsorbates on more complex catalytic surfaces.
Accurate prediction of binding energies for two‐dimensional catalytic materials using machine learning
Authors: Melisande Fischer Julia , Hunter Michelle , Hankel Marlies , Searles Debra J. , Parker Amanda J. , Barnard Amanda S.
Published: June 2020

The binding energy of small molecules on two‐dimensional (2D) single atom catalysts influences their reaction efficiency and suitability for different applications. In this study, the binding energy on single metal atoms to N‐doped graphene defects was predicted using random forest regression based on approximately 1700 previously generated density functional theory simulations of catalytic reactions. Three different structural feature groups containing hundreds of individual structural features were created and used to characterise the active sites. This approach was found to be accurate and reliable using either fully relaxed output structures or pre‐simulation input structures, with coefficients of determination of
=0.952 and
=0.865, respectively. The ability to predict optimal 2D‐catalysts before undertaking expensive quantum chemical calculations is an attractive basis for future research, and could be extended to other 2D‐materials.
Designed Boron‐Rich Polymeric Nanoparticles Based on Nano‐ion Pairing for Boron Delivery
Authors: Li Jianwei , Janoušková Olga , Fernandez‐Alvarez Roberto , Mesíková Soňa , Tošner Zdeněk , Kereïche Sami , Uchman Mariusz , Matějíček Pavel
Published: June 2020

Boron‐rich particles with the boron fraction ca.10–20 wt % of controllable shape and size that can be easily prepared via simple ion co‐assembly are promising material for tumor treatment by boron neutron capture therapy. Electroneutral, dynamic core‐shell polymeric nanoparticles were prepared by co‐assembly of cationic PEO‐block‐PGEA diblock copolymer with sodium closo‐dodecaborate, Na2[B12H12]. This is the first example of polymer nanoparticles based on [B12H12]2−nano‐ion pairing. The high [B12H12]2− loading is proven by calorimetry at physiological salt concentration. As a result of rational design, rod‐, worm‐ and sphere‐like particles were produced and further tested using human glioblastoma and cervical carcinoma cell lines. Rod‐like particles yielded the highest internalization capability in all tested cell lines.
Permethylated NHC‐Capped α‐ and β‐Cyclodextrins (ICyDMe) Regioselective and Enantioselective Gold‐Catalysis in Pure Water
Authors: Zhu Xiaolei , Xu Guangcan , Chamoreau Lise‐Marie , Zhang Yongmin , Mouriès‐Mansuy Virginie , Fensterbank Louis , Bistri‐Aslanoff Olivia , Roland Sylvain , Sollogoub Matthieu
Published: June 2020

A series of water‐soluble encapsulated copper(I), silver(I) or gold(I) complexes based on NHC‐capped permethylated cyclodextrins (ICyDMe) were developed and used as catalysts in pure water for hydration, lactonization, hydroarylation and cycloisomerization reactions. ICyDMe ligands gave cavity‐based high regioselectivity in hydroarylations, and high enantioselectivities in gold‐catalyzed cycloisomerizations reactions giving up to 98 % ee in water. These ICyDMe are therefore useful ligands for selective catalysis in pure water.
Enantiomerically Pure Quinoline‐Based κ‐Opioid Receptor Agonists: Chemoenzymatic Synthesis and Pharmacological Evaluation
Authors: Martin Benedikt , Schepmann Dirk , Bernal Freddy A. , Schmidt Thomas J. , Che Tao , Loser Karin , Wünsch Bernhard
Published: June 2020

Racemic K‐opioid receptor (KOR) agonist 2‐(3,4‐dichlorophenyl)‐1‐[(4aRS,8SR,8aSR)‐8‐(pyrrolidin‐1‐yl)‐3,4,4a,5,6,7,8,8a‐octahydroquinolin‐1(2H)‐yl]ethan‐1‐one ((±)‐4) was prepared in a diastereoselective synthesis. The first key step of the synthesis was the diastereoselective hydrogenation of the silyl ether of 1,2,3,4‐tetrahydroquinoin‐8‐ol ((±)‐9) to afford cis,cis‐configured perhydroquinoline derivative (±)‐10. Removal of the TBDMS protecting group led to a β‐aminoalcohol that reacted with SO2Cl2 to form an oxathiazolidine. Nucleophilic substitution with pyrrolidine resulted in the desired cis,trans‐configured perhydroquinoline upon inversion of the configuration. In order to obtain enantiomerically pure KOR agonists 4 (99.8 % ee) and ent‐4 (99.0 % ee), 1,2,3,4‐tetrahydroquinolin‐8‐ols (R)‐8 (99.1 % ee) and (S)‐8 (98.4 % ee) were resolved by an enantioselective acetylation catalyzed by Amano lipase PS‐IM. The absolute configuration was determined by CD spectroscopy. The 4aR,8S,8aS‐configured enantiomer 4 showed sub‐nanomolar KOR affinity (Ki=0.81 nM), which is more than 200 times higher than the KOR affinity of its enantiomer ent‐4. In the cAMP assay and the Tango β‐arrestin‐2 recruitment assay, 4 behaved as a KOR agonist. Upon incubation of human macrophages, human dendritic cells, and mouse myeloid immune cells with 4, the number of cells expressing co‐stimulatory receptor CD86 and proinflammatory cytokines interleukin 6 and tumor necrosis factor α was significantly reduced; this indicates the strong anti‐inflammatory activity of 4. The anti‐inflammatory effects correlated well with the KOR affinity: (4aR,8S,8aS)‐4 was slightly more potent than the racemic mixture (±)‐4, and the distomer ent‐4 was almost inactive.
Anaplastic large cell lymphoma: Report of two cases with rare patterns (carcinomatous and sarcomatous) in fine needle aspiration cytology and histopathology
Authors: Das Dilip K. , Mallik Mrinmay K. , Ali Abdullah E. , Khadom Fatemah ASK , John Bency , Al‐Ayanti Mamoun
Published: June 2020

Anaplastic large cell lymphoma (ALCL) is a non‐Hodgkin lymphoma of T‐cell or null‐cell lineage with variable cytomorphology. We report two rare ALCL cases with carcinomatous and sarcomatous patterns, respectively, in fine needle aspiration (FNA) cytology and histopathology. The first case was a 56‐year‐old man with enlarged left inguinal lymph node. FNA smears showed a malignant small round cell tumor with nuclear molding. In addition, there were large bi‐nucleated and multinucleated cells with wreath‐like arrangement of nuclei. ALCL and small cell (neuroendocrine) carcinoma were the possibilities considered. Immunocytochemical studies on FNA smears showed positive reaction for leukocyte common antigen (LCA) and negative results for cytokeratin (CK) and chromogranin. Histopathological examination of the lymph node showed features of ALCL with following immunohistochemical staining results: LCA+, CD30+, CD45RO+, CD20−, CD3+ (weak), and Alk1−. During review of sections, areas resembling a small cell anaplastic carcinoma were observed. The second case was a 24‐year‐old woman with right cervical lymphadenopathy. FNA smears showed an ALCL with highly atypical large cells including bi‐nucleated and donut shaped cells, which were positive for CD30, EMA, and Alk‐1 protein, and negative for CD20, CD3, and CK. Histopathological examination corroborated the cytodiagnosis of ALCL, and with positive immunohistochemical staining for CD30, EMA, Alk‐1 protein+, BCL6+, and Ki67+ (40% cells) and negative results for CD20, CD10, CD3, CD5, CD15, BCl2, CD79a, and CD68. Sarcomatous components were noticed during review of cytologic and histopathological specimen. Awareness about these unusual cytomorphological patterns in ALCL may be of help in proper diagnosis of this neoplasm.
In vitro activity profiling of Cumyl‐PEGACLONE variants at the CB1 receptor: Fluorination versus isomer exploration
Authors: Janssens Liesl , Cannaert Annelies , Connolly Matthew J. , Liu Huiling , Stove Christophe P.
Published: June 2020

Synthetic cannabinoid receptor agonists (SCRAs) are one of the largest groups of new psychoactive substances monitored in Europe. SCRAs are known to typically exert higher cannabinoid activity than tetrahydrocannabinol from cannabis, thereby entailing a greater health risk. Both Cumyl‐PEGACLONE and 5F‐Cumyl‐PEGACLONE were not controlled by the national legislation upon their first detection in Germany in 2016 and 2017, respectively, and have been linked to several fatalities. In this study, the CB1 receptor activity of these compounds, together with two newly synthesized structural isomers (Cumyl‐PEGACLONE ethylbenzyl isomer and n‐propylphenyl isomer), was assessed using two different in vitro receptor‐proximal bioassays, monitoring the recruitment of either β‐arrestin2 (β‐arr2) or a modified G protein (mini‐Gαi) to the activated CB1 receptor. In terms of both potency and relative efficacy, Cumyl‐PEGACLONE and 5F‐Cumyl‐PEGACLONE were found to exert strong CB1 activation, with sub‐nanomolar EC50 values and efficacy values exceeding those of the reference agonist JWH‐018 threefold (β‐arr2 assay) or almost twofold (mini‐Gαi assay). The ethylbenzyl and n‐propylphenyl isomers exhibited a strongly reduced CB1 activity (EC50 values >100 nM; efficacy <40% relative to JWH‐018), which is hypothesized to originate from steric hindrance in the ligand‐binding pocket. None of the evaluated compounds exhibited significant biased agonism. In conclusion, the functional assays applied here allowed us to demonstrate that 5‐fluorination of Cumyl‐PEGACLONE is not linked to an intrinsically higher CB1 activation potential and that the ethylbenzyl and n‐propylphenyl isomers yield a strongly reduced CB1 activation.
A developmental staging system and musculoskeletal development sequence of the common musk turtle (Sternotherus odoratus)
Authors: Smith Paredes Daniel , Lord Arianna , Meyer Dalton , Bhullar Bhart‐Anjan S.
Published: June 2020

Background

The extremely derived body plan of turtles has sparked a great interest in studying their developmental biology. Here, we describe the embryonic development of the Stinkpot, or common musk turtle (Sternotherus odoratus), a small aquatic turtle from the family Kinosternidae.

Results

We identify 20 distinct developmental stages, some comparable to stages described by previous studies on other turtles and some in between these, improving the resolution of the generalities of turtle development. We provide a detailed account of both the external morphology and skeletal development, as well as a general look at the early stages of muscular development until the attainment of the adult muscular anatomical pattern.

Conclusions

Several potential skeletal and muscular apomorphies of turtles are identified or elaborated. The musk turtle, with its small size and hard‐shelled egg, could become an important species for the study of turtle evolution and development, suitable for in ovo experimentation and late stage imaging of well‐advanced anatomical features.
Can ancestry and morphology be used as surrogates for species niche relationships?
Authors: Keppeler Friedrich W. , Winemiller Kirk O.
Published: June 2020

Species interactions are difficult to quantify, and, consequently, many studies have used species traits and phylogeny as proxies under an assumption of niche conservatism (i.e., closely related and morphologically similar species should have similar niches). However, few studies have investigated whether niches actually are conserved within and across diverse communities.Here, we tested the degree to which phylogenetic relatedness and morphological similarity predict diets and stable isotopic ratios (δ15N andδ13C), two common descriptors of the trophic niche, in fish assemblages of two small streams in the Neotropics. We also tested the strength of the association between isotopic ratios and diet composition and found significant correlations implying that isotopic signals reveal trophic structure despite error associated with estimates of trophic enrichment and variation associated with tissue preservation, metabolism, and other factors affecting isotopic ratios. Morphological traits yielded a significant phylogenetic signal, and both morphological traits and phylogeny were correlated with diet composition, with morphological traits being a stronger predictor. We infer that functionally relevant morphological traits of fish can be used to infer trophic niches for certain kinds of questions and analyses when trophic data are lacking. However, we highlight that using phylogenetic and morphological data in combination with dietary and/or isotopic data can improve resolution of assemblage trophic structure and niche diversification.
Sensitive Quantification of Fe(III) in Food Samples at Screen Printed Carbon Electrode Modified with Graphene and Piroxicam by Catalytic Adsorptive Voltammetry
Authors: Sadeghi Susan , Ebadi Samaneh
Published: June 2020

A new disposable sensitive voltammetric sensor for the determination of Fe(III) based on a graphene (G) and piroxicam (Pir) modified screen printed carbon electrode (Pir/G/SPCE) has been developed. The developed method is based on accumulation of Fe(III) on the surface of the prepared sensor strip, formation a complex with Pir and subsequent reduction the adsorbed chelated Fe(III) at −0.03 V (vs. Ag/AgCl) coupled with the catalytic enhancement of bromate. Characterizations of the modified electrode surface were performed by field emission scanning electron microscopy (FE‐SEM), energy dispersive X‐ray spectroscopy (EDX) and electrochemical impedance spectroscopy (EIS). Electrochemical behavior of the modified SPCEs was investigated by cyclic voltammetry (CV) and differential pulse voltammetry (DPV). Under the optimum conditions, the catalytic voltammetric method exhibited linear calibration plot in the concentration ranges of 1–100 ng mL−1 and 100–3500 ng mL−1 Fe(III) with a limit of detection of 0.3 ng mL−1. The sensor strip displayed good reproducibility with 1.7 % relative standard deviation (RSD%). The developed method was successfully applied for the determination of iron in food samples such as vegetables, fruit, and cereal.
Built‐In Potential and Operational Stability of Nonfullerene Organic Solar Cells
Authors: Han Jiayin , Wang Yiwen , Zhu Furong
Published: June 2020

Many progresses have been made in the advancement of solution‐processable high‐performance organic solar cells (OSCs), offering an encouraging alternative photovoltaic (PV) technology option to traditional solar cells. The solution processing capability provides OSCs with great fabrication flexibility for new device concepts, cell architectures, and applications including lightweight large‐area transparent and flexible PV modules. The unique transparency and flexible features also add an attractive artistic aspect to emerging OSCs for use on curved surfaces, portable electronics, and indoor appliances. However, the stability of the OSCs is still less than satisfactory compared with the conventional inorganic semiconductor solar cells. This work discusses the improvement of the operational stability of OSCs through analyses of the important issues of 1) unbalanced charge mobility, 2) vertical stratification in the bulk heterojunction, and 3) built‐in potential across the photoactive layer, and retaining a stable built‐in potential for enhancing the operational stability of OSCs.
Design and synthesis of high performance flexible and green supercapacitors made of manganese‐dioxide‐decorated alkali lignin
Authors: Jha Swarn , Mehta Siddhi , Chen Yan , Likhari Raj , Stewart Weston , Parkinson Dilworth , Liang Hong
Published: June 2020

State‐of‐the‐art flexible supercapacitors suffer from electrochemical and environmental performance issues including manufacturing expense limitations. Therefore, a highly effective and low‐cost strategy to develop supercapacitors is needed. To address this, a plant‐based, high‐performance, lightweight, low‐cost, quasi‐solid state, and composite electrode for flexible supercapacitors has been synthesized using the hydrothermal method. The composite electrode is made of alkali lignin and is decorated with MnO2 particles including an Al substrate. An Al/lig/MnO2 based anode and an Al/AC (activated carbon) based cathode were sandwiched using an inorganic polymer gel‐type electrolyte made of PVA/H3PO4 in order to assemble the supercapacitor. Synchrotron tomography and SEM are employed to study the detailed electrode morphology. Electrochemical impedance spectroscopy (EIS), cyclic charge‐discharge (CCD), and cyclic voltammetry (CV) have been used to assess electrochemical performance. Optimization is carried out using a series of lignin:MnO2 samples with varying constituent ratios. After 3000 charge‐discharge cycles, the highest specific capacitance value achieved at 40 mA g−1 reached 379 mF cm−2, (900 times reported). The capacitance retention, maximum energy density, and maximum power density are 80%, 6 Wh kg−1, and 355 W kg−1 respectively. Due to the superior electrochemical performance, the supercapacitor shows exceptional potential for future sustainable and green electronics.
The antiproliferative and antioxidant activities of the essential oils of Juniperus species from Turkey
Authors: Sahin Yaglioglu Ayse , Eser Ferda , Yaglioglu Muhammet Samil , Demirtas Ibrahim
Published: June 2020

The present study aimed to determine the essential oil compositions of four different types of Juniperus species including Juniperus oxycedrus ssp oxycedrus L., Juniperus foetidissima Willd., Juniperus excelsa M. Bieb, and Juniperus communis L. with their antioxidant and antiproliferative activities. The antiproliferative activity of the essential oils was determined against HeLa (human cervix carcinoma) and C6 (rat brain tumor cell) cell lines by BrdU cell proliferation assay. The essential oils were tested for their total reducing power activity, DPPH (2,2'‐diphenyl‐1‐picrylhydrazyl) free radical scavenging activities, and hydrogen peroxide scavenging activities. The overall results of the study showed that the needles of Juniperus species have strong antiproliferative activities as cell selective against C6 cells.
Relict hydrocarbon seeps in the Oligocene–Miocene Subis carbonate platform, Malaysia: Implications on hydrocarbon generation and migration pathways and potential sealing by shale gouging
Authors: Ramkumar Muthuvairavasamy , Nagarajan Ramasamy , J. Mathew Manoj , Sautter Benjamin , Siddiqui Numair A. , Saw Bing B. , Santosh M. , Menier David , Poppelreiter Michael C.
Published: June 2020

Occurrences of the highly productive, yet complex oil and gas‐ bearing Oligocene–Miocene buried carbonate platforms of the South China Sea and adjoining onshore equivalents necessitates understanding the form, timing and pathways of hydrocarbon migration plays. Here, we report the occurrence of structural‐stratigraphic controls on relict seepage and evaluate the hydrocarbon generation and migration pathway in the exposed Subis carbonate platform. Our results show that the seepages occur essentially along a post‐depositional fault plane located along the flank of a Miocene reef. The samples (n: 3) contain 0.14–1.42% of total organic carbon (TOC). The Hydrogen Index (HI) varies between 72 and 147 Mg HC/g TOC and the Oxygen Index (OI) from 32 to 234 mg CO2/g TOC. Similarly, the Production Index (PI) varies between 0.11 and 0.26. The source rock potentials are poor (n = 2) and good (n = 1). The studied samples show the Tmax uniformly as 433°C and PI values >0.1 and are therefore thermally immature. The occurrence of seepages sampled along the eastern flank of Subis buildup falls in the autochthonous field, indicating that the hydrocarbon was produced within the indigenous formation (Subis Limestone). This indicates absence of migration from deeper and older layers. However, occurrence of this seepage along a fault plane probably reactivated immediately after lithification of the Oligocene–Miocene carbonate bioherm and affected the matrix of the rocks, suggest that the hydrocarbon generated might have moved upward along this fault plane, assimilated into the host rock, especially in the finer matrix portions of the carbonates. The presence of CO2 at temperatures between 300–550°C is also suggestive of an organic matter origin or solution seams of the Subis Limestone and this inference obviates migration from deep‐seated faults and any connectivity and/or openness of the petroleum system between the subsurface and the atmosphere.
Seismic origin of the soft‐sediment deformation structures in the upper Palaeo‐Mesoproterozoic Semri Group, Vindhyan Supergroup, Central India
Authors: Singh Birendra Pratap , Mondal Krishna , Singh Akanksha , Mittal Preeti , Singh Rohit Kumar , Kanhaiya Shyam
Published: June 2020

Soft‐sediment deformation (SSD) structures are the syn‐sedimentary structures that can form by seismic as well as non‐seismic processes. The SSD structures commonly occur in the Semri Group of the Vindhyan Supergroup in the Kajrahat Limestone, Chopan Porcellanite and Rohtas Limestone formations, and the Glauconitic Sandstone Member. The SSD structures include, slump folds, kink bands, chevron folds, convolute beddings, contorted cross‐beds, flame structures, pinch‐and‐swell structures, breccias, sagging structures, water‐escape structures, and dykes of varying dimensions. The lagoonal and tidal depositional environments of the Kajarahat Limestone Formation (not the continental slope environment) lead to suggest that the SSD structures formed as a result of the seismic activities in them. The SSD structures of the Chopan Porcellanite Formation associated with rhyolite might have originated as a result of volcanic activities or seismicity, while those occurring in the Glauconitic Sandstone Member (Kheinjua Formation) adjacent to the Son Lineament might have formed as a tectonics‐related seismicity. The convolute bedding with large lateral extent in the Rohtas Limestone Formation looks related to seismicity in the light of its deposition along the shelf. Thus, the upper Palaeo‐Mesoproterozoic Semri Group, Vindhyan Supergroup represents varieties of the SSD structures formed mostly by seismic processes. These imply that the Central India was unstable and was a place for tectonically controlled seismic events during the upper Palaeo‐Mesoproterozoic (1,700–1,600 Ma).
Altered resting‐state functional connectivity and effective connectivity of the habenula in irritable bowel syndrome: A cross‐sectional and machine learning study
Authors: Mao Cui P. , Chen Fen R. , Huo Jiao H. , Zhang Liang , Zhang Gui R. , Zhang Bing , Zhou Xiao Q.
Published: June 2020

Irritable bowel syndrome (IBS) is a disorder involving dysfunctional brain–gut interactions characterized by chronic recurrent abdominal pain, altered bowel habits, and negative emotion. Previous studies have linked the habenula to the pathophysiology of negative emotion and pain. However, no studies to date have investigated habenular function in IBS patients. In this study, we investigated the resting‐state functional connectivity (rsFC) and effective connectivity of the habenula in 34 subjects with IBS and 34 healthy controls and assessed the feasibility of differentiating IBS patients from healthy controls using a machine learning method. Our results showed significantly enhanced rsFC of the habenula‐left dorsolateral prefrontal cortex (dlPFC) and habenula‐periaqueductal grey (PAG, dorsomedial part), as well as decreased rsFC of the habenula‐right thalamus (dorsolateral part), in the IBS patients compared with the healthy controls. Habenula‐thalamus rsFC was positively correlated with pain intensity (r = .467, p = .005). Dynamic causal modeling (DCM) revealed significantly decreased effective connectivity from the right habenula to the right thalamus in the IBS patients compared to the healthy controls that was negatively correlated with disease duration (r = −.407, p = .017). In addition, IBS was classified with an accuracy of 71.5% based on the rsFC of the habenula‐dlPFC, habenula‐thalamus, and habenula‐PAG in a support vector machine (SVM), which was further validated in an independent cohort of subjects (N = 44, accuracy = 65.2%, p = .026). Taken together, these findings establish altered habenular rsFC and effective connectivity in IBS, which extends our mechanistic understanding of the habenula's role in IBS.
Detecting head and neck squamous carcinoma using a portable handheld electronic nose
Authors: van de Goor Rens M. G. E. , van Hooren Michel R. A. , Henatsch Darius , Kremer Bernd , Kross Kenneth W.
Published: June 2020

Introduction

Detecting volatile organic compounds in exhaled breath enables the diagnosis of cancer. We investigated whether a handheld version of an electronic nose is able to discriminate between patients with head and neck squamous cell cancer (HNSCC) and healthy controls.

Methods

Ninety‐one patients with HNSCC and 72 controls exhaled through an e‐nose. An artificial neural network based model was built to separate between HNSCC patients and healthy controls. Additionally, three models were created for separating between the oral, oropharyngeal, and glottic subsites respectively, and healthy controls.

Results

The results showed a diagnostic accuracy of 72% at a sensitivity of 79%, specificity of 63%, and area under the curve (AUC) of 0.75. Results for the subsites showed an AUC of 0.85, 0.82, and 0.83 respectively for oral, oropharyngeal, and glottic HNSCC.

Conclusion

This feasibility study showed that this portable noninvasive diagnostic tool can differentiate between HNSCC patients and healthy controls.
Autophagy in fibroblasts induced by cigarette smoke extract promotes invasion in lung cancer cells
Authors: Hou Hsin‐Han , Pan Huei‐Jyuan , Liao Wei‐Yu , Lee Chau‐Hwang , Yu Chong‐Jen
Published: June 2020

We investigated the effects of cigarette smoke extract (CSE) on lung fibroblasts and found that the invasiveness of lung cancer cells was facilitated by the conditioned medium from CSE‐treated fibroblasts. CSE induced autophagy in fibroblasts and increased the expression of autophagy‐related proteins, including optineurin and Ras‐related protein Rab1B. Afterward, the fibroblasts produced high levels of interleukin‐8 (IL‐8), which promoted cancer cell invasion. The inhibition of either optineurin or Rab1B abrogated a rise in microtubule‐associated protein 1 light chain 3 β and a decrease in p62 protein, as well as the production of IL‐8, in CSE‐treated fibroblasts. A three‐dimensional invasion assay using cancer cell spheroids revealed that the invasion of cancer cells alone and the fibroblast‐led cancer cell invasion were both enhanced by the conditioned media from CSE‐treated fibroblasts. These results suggest that cigarette smoke may induce autophagy and IL‐8 secretion in lung fibroblasts and modify the microenvironment to favor invasion of lung cancer cells.
Drug‐loading three‐dimensional scaffolds based on hydroxyapatite‐sodium alginate for bone regeneration
Authors: Liang Tingting , Wu Jingwen , Li Fuyao , Huang Zhu , Pi Yixing , Miao Guohou , Ren Wen , Liu Tiantao , Jiang Qianzhou , Guo Lvhua
Published: June 2020

Bone tissue engineering is a promising approach for tackling clinical challenges. Osteoprogenitor cells, osteogenic factors, and osteoinductive/osteoconductive scaffolds are employed in bone tissue engineering. However, scaffold materials remain limited due to their source, low biocompatibility, and so on. In this study, a composite hydrogel scaffold composed of hydroxyapatite (HA) and sodium alginate (SA) was manufactured using three‐dimensional printing. Naringin (NG) and calcitonin‐gene‐related peptide (CGRP) were used as osteogenic factors in the fabrication of drug‐loaded scaffolds. Investigation using animal experiments, as well as scanning electron microscopy, cell counting kit‐8 testing, alkaline phosphatase staining, and alizarin red‐D staining of bone marrow mesenchymal stem cell culture showed that the three scaffolds displayed similar physicochemical properties and that the HA/SA/NG and HA/SA/CGRP scaffolds displayed better osteogenesis than that of the HA/SA scaffold. Thus, the HA/SA scaffold could be a biocompatible material with potential applications in bone regeneration. Meanwhile, NG and CGRP doping could result in better and more positive proliferation and differentiation.
Nitrogen-Containing Bisphosphonates Are Associated With Reduced Risk of Pneumonia in Patients With Hip Fracture
Authors: Sing Chor-Wing , Kiel Douglas P , Hubbard Richard B , Lau Wallis CY , Li Gloria HY , Kung Annie WC , Wong Ian CK , Cheung Ching-Lung
Published: June 2020

The objective of this work was to study the risk of pneumonia and pneumonia mortality among patients receiving nitrogen-containing bisphosphonates (N-BPs), non-N-BP anti-osteoporosis medications, and no anti-osteoporosis medications after hip fracture. We studied a historical cohort using a population-wide database. Patients with first hip fracture during 2005–2015 were identified and matched by time-dependent propensity score. The cohort was followed until December 31, 2016, to capture any pneumonia and pneumonia mortality. Hazard ratios (HRs) and 95% confidence intervals (CIs) were estimated using Cox-proportional hazards regression. Absolute risk difference (ARD) and number needed to treat (NNT) were calculated. We identified 54,047 patients with hip fracture. Of these, 4041 patients who received N-BPs and 11,802 without anti-osteoporosis medication were propensity score–matched. N-BPs were associated with a significantly lower risk of pneumonia compared with no treatment (6.9 versus 9.0 per 100 person-years; HR 0.76; 95% CI, 0.70 to 0.83), resulting in an ARD of 0.02 and NNT of 46. A similar association was observed with pneumonia mortality (HR 0.65; 95% CI, 0.56 to 0.75). When N-BPs were compared with non-N-BP anti-osteoporosis medications, the association remained significant. N-BPs were associated with lower risks of pneumonia and pneumonia mortality. Randomized controlled trials are now required to determine whether N-BPs, non–vaccine-based medications, can reduce pneumonia incidence in high risk groups. © 2020 American Society for Bone and Mineral Research.
Association of TLX1 gene polymorphisms with the risk of acute lymphoblastic leukemia and B lineage acute lymphoblastic leukemia in Han Chinese children
Authors: Mei Endian , Wei Xubin , Gao Jiadong , Tian Xiaolong , Li Wei , Liu Li , Qian Cheng
Published: June 2020

Background

Studies on gene polymorphism association are centered on childhood acute lymphoblastic leukemia (ALL), a common hematological malignancy in children younger than 16 years. Single‐nucleotide polymorphisms (SNPs) in some genes, such as ARID5B and CDKN2B, are associated with the risk of childhood ALL. T‐cell leukemia homeobox 1 (TLX1), a member of the HOX gene family, was identified based on its abnormal expression in T‐lineage leukemia. This study aimed to determine whether TLX1 is associated with B‐ALL and which SNP plays a significant role in ALL.

Methods

A total of 217 cases of ALL and 241 controls were included in this study. Six tag SNPs (rs75329544, rs946328, rs12415670, rs2075879, rs17113735, and rs1051723) were selected, and genotyping was carried out on Sequenom MassARRAY platform.

Results

Rs17113735 was possibly the risk locus associated with increased risk for ALL, whereas rs946328 was possibly associated with decreased risk for ALL. Moreover, rs17113735 was likely to be the risk locus for B‐cell ALL (B‐ALL), and rs2075879 was associated with decreased risk for B‐ALL (P < .05). All SNPs in the two sample types (ALL and B‐ALL samples) demonstrated linkage disequilibrium except between rs75329544 and rs2075879. Haplotype analysis showed no significant difference between the cases and controls in the two sample types.

Conclusion

TLX1 gene polymorphisms are associated with ALL (rs17113735 and rs946328) and possibly play a significant role in B‐ALL (rs17113735 and rs2075879). This work provides a reference for the diagnosis and therapy of this disease.
Can char carbon enhance soil properties and crop yields in low‐carbon soils?
Authors: Blanco‐Canqui Humberto , Kaiser Michael , Hergert Gary W. , Creech Cody F. , Nielsen Rex , Maharjan Bijesh , Easterly Amanda C. , Lawrence Nevin C.
Published: June 2020

Restoring soil carbon (C) lost due to intensive farming is a long‐term endeavor under current conservation management practices. Application of coal combustion residue (293 g C kg−1) from a sugar beet (Beta vulgaris L.) processing factory, hereafter referred to as char, could rapidly restore soil C and productivity in degraded croplands, but data on this potential strategy are unavailable. We assessed the impacts of char application to two relatively low‐C soils (10.1 and 12.2 g C kg−1) and one relatively high‐C soil (17.3 g C kg−1) on soil C, soil physical and fertility properties, and crop yields in no‐till systems in the Great Plains after 2 yr. Char was disked to 15 cm soil depth at char‐C application rates ranging from 0 to 19.7 Mg C ha−1, corresponding to char application rates ranging from 0 to 67.3 Mg ha−1. The highest char rate increased C concentration in all soils but increased C stock only in low‐C soils. Char did not affect soil penetration resistance, available water, aggregate stability, most nutrients, and crop yields. Char application at high rates increased sulfate, Ca, Mg, and Na concentrations but did not influence other properties. Carbon recovery of the char applied at the highest rate varied among soils from 50 to 85%, but the mechanisms for such differences need further investigation. Short‐term duration, low char C concentration, and low application rates may explain the limited char effects. Overall, char application at 19.7 Mg char‐C ha−1 (i.e., 67.3 Mg char ha−1) increased soil C concentration but had negligible effects on other soil properties and crop yields after 2 yr.
Genetic architecture underlying changes in carotenoid accumulation during the evolution of the blind Mexican cavefish, Astyanax mexicanus
Authors: Riddle Misty R. , Aspiras Ariel C. , Damen Fleur , Hutchinson John N. , Chinnapen Daniel J.‐F. , Tabin Julius , Tabin Clifford J.
Published: June 2020

Carotenoids are lipid‐soluble yellow to orange pigments produced by plants, bacteria, and fungi. They are consumed by animals and metabolized to produce molecules essential for gene regulation, vision, and pigmentation. Cave animals represent an interesting opportunity to understand how carotenoid utilization evolves. Caves are devoid of light, eliminating primary production of energy through photosynthesis and, therefore, limiting carotenoid availability. Moreover, the selective pressures that favor carotenoid‐based traits, like pigmentation and vision, are relaxed. Astyanax mexicanus is a species of fish with multiple river‐adapted (surface) and cave‐adapted populations (i.e., Tinaja, Pachón, Molino). Cavefish exhibit regressive features, such as loss of eyes and melanin pigment, and constructive traits, like increased sensory neuromasts and starvation resistance. Here, we show that, unlike surface fish, Tinaja and Pachón cavefish accumulate carotenoids in the visceral adipose tissue. Carotenoid accumulation is not observed in Molino cavefish, indicating that it is not an obligatory consequence of eye loss. We used quantitative trait loci mapping and RNA sequencing to investigate genetic changes associated with carotenoid accumulation. Our findings suggest that multiple stages of carotenoid processing may be altered in cavefish, including absorption and transport of lipids, cleavage of carotenoids into unpigmented molecules, and differential development of intestinal cell types involved in carotenoid assimilation. Our study establishes A. mexicanus as a model to study the genetic basis of natural variation in carotenoid accumulation and how it impacts physiology.
Clinical Potential of UTE‐MRI for Assessing COVID‐19: Patient‐ and Lesion‐Based Comparative Analysis
Authors: Yang Shuyi , Zhang Yunfei , Shen Jie , Dai Yongming , Ling Yun , Lu Hongzhou , Zhang Rengyin , Ding Xueting , Qi Huali , Shi Yuxin , Zhang Zhiyong , Shan Fei
Published: June 2020

Background

Chest computed tomography (CT) has shown tremendous clinical potential for screening, diagnosis, and surveillance of COVID‐19. However, safety concerns are warranted due to repeated exposure of X‐rays over a short period of time. Recent advances in MRI suggested that ultrashort echo time MRI (UTE‐MRI) was valuable for pulmonary applications.

Purpose

To evaluate the effectiveness of UTE‐MRI for assessing COVID‐19.

Study Type

Prospective.

Population

In all, 23 patients with COVID‐19 and with an average interval of 2.81 days between hospital admission and image examination.

Field strength/Sequence

3T; Respiratory‐gated three‐dimensional radial UTE pulse sequence.

Assessment

Image quality score. Patient‐ and lesion‐based interobserver and intermethod agreement for identifying the representative image findings of COVID‐19.

Statistical Tests

Wilcoxon‐rank sum test, Kendall's coefficient of concordance (Kendall's W), intraclass coefficients (ICCs), and weighted kappa statistics.

Results

There was no significant difference between the image quality of CT and UTE‐MRI (CT vs. UTE‐MRI: 4.3 ± 0.4 vs. 4.0 ± 0.5, P = 0.09). Moreover, both patient‐ and lesion‐based interobserver agreement of CT and UTE‐MRI for evaluating the image signs of COVID‐19 were determined as excellent (ICC: 0.939–1.000, P < 0.05; Kendall's W: 0.894–1.000, P < 0.05.). In addition, the intermethod agreement of two image modalities for assessing the representative findings of COVID‐19 including affected lobes, total severity score, ground glass opacities (GGO), consolidation, GGO with consolidation, the number of crazy paving pattern, and linear opacities, as well as pseudocavity were all determined as substantial or excellent (kappa: 0.649–1.000, P < 0.05; ICC: 0.913–1.000, P < 0.05).

Data Conclusion

Pulmonary MRI with UTE is valuable for assessing the representative image findings of COVID‐19 with a high concordance to CT.

Evidence Level

2

Technical Efficacy Stage

3 J. Magn. Reson. Imaging 2020;52:397–406.