bluuebunny/crossref_metadata_2025 huggingface dataset:
Texture features from computed tomography correlate with markers of severity in acute alcohol-associated hepatitis
Authors: Tana Michele M. , McCoy David , Lee Briton , Patel Roshan , Lin Joseph , Ohliger Michael A.
Published: October 2020

The aim of this study was to use texture analysis to establish quantitative CT-based imaging features to predict clinical severity in patients with acute alcohol-associated hepatitis (AAH). A secondary aim was to compare the performance of texture analysis to deep learning. In this study, mathematical texture features were extracted from CT slices of the liver for 34 patients with a diagnosis of AAH and 35 control patients. Recursive feature elimination using random forest (RFE-RF) was used to identify the best combination of features to distinguish AAH from controls. These features were subsequently used as predictors to determine associated clinical values. To compare machine learning with deep learning approaches, a 2D dense convolutional neural network (CNN) was implemented and trained for the classification task of AAH. RFE-RF identified 23 top features used to classify AAH images, and the subsequent model demonstrated an accuracy of 82.4% in the test set. The deep learning CNN demonstrated an accuracy of 70% in the test set. We show that texture features of the liver are unique in AAH and are candidate quantitative biomarkers that can be used in prospective studies to predict the severity and outcomes of patients with AAH.
The transboundary nature of the world’s exploited marine species
Authors: Palacios-Abrantes Juliano , Reygondeau Gabriel , Wabnitz Colette C. C. , Cheung William W. L.
Published: October 2020

Regulatory boundaries and species distributions often do not align. This is especially the case for marine species crossing multiple Exclusive Economic Zones (EEZs). Such movements represent a challenge for fisheries management, as policies tend to focus at the national level, yet international collaborations are needed to maximize long-term ecological, social and economic benefits of shared marine species. Here, we combined species distributions and the spatial delineation of EEZs at the global level to identify the number of commercially exploited marine species that are shared between neighboring nations. We found that 67% of the species analyzed are transboundary (n = 633). Between 2005 and 2014, fisheries targeting these species within global-EEZs caught on average 48 million tonnes per year, equivalent to an average of USD 77 billion in annual fishing revenue. For select countries, over 90% of their catch and economic benefits were attributable to a few shared resources. Our analysis suggests that catches from transboundary species are declining more than those from non-transboundary species. Our study has direct implications for managing fisheries targeting transboundary species, highlighting the need for strengthened effective and equitable international cooperation.
Design of CMOS-compatible metal–insulator–metal metasurfaces via extended equivalent-circuit analysis
Authors: Dorodnyy Alexander , Koepfli Stefan M. , Lochbaum Alexander , Leuthold Juerg
Published: October 2020

Photonic metasurfaces compatible with large-scale production such as CMOS are of importance because they promise cointegration of electronics with photonics for detection, communication and sensing. The main challenges on the way of designing such metasurfaces are: (1) large variety of possible geometrical shapes of metasurface elements that makes finding the most appropriate shape difficult; (2) poor compatibility of available electronic layer stacks with photonics. In this paper we show how to address both of these challenges utilizing extended equivalent-circuit analysis. In a first step we classify the behavior of different metasurfaces using the equivalent circuit. We discover that metasurfaces that use inverted-dipole resonator type exhibit higher tolerance to dielectric spacer thickness, higher angular stability and have similar resonance quality-factor as other types. In the second step we utilize the equivalent-circuit scheme to efficiently optimize the parameters of inverted-dipole based metasurfaces for a layer stack such as given in a CMOS process. Finally, as an example we demonstrate how an inverted-cross structure can be adapted to a commercial 110 nm CMOS process with Al metal layers. We measured peak absorption above 90% at center wavelength around 4 µm with quality factor of approximately 5 and angular stability larger than 60°.
The transformer-2 and fruitless characterisation with developmental expression profiles of sex-determining genes in Bactrocera dorsalis and B. correcta
Authors: Laohakieat Kamoltip , Isasawin Siriwan , Thanaphum Sujinda
Published: October 2020

Sex determination in tephritid fruit flies involves a signaling cascade of alternatively spliced genes. The Transformer (TRA) and Transformer-2 (TRA-2) complex establishes an autoregulatory loop switching sex-specific splicing of tra pre-mRNA in females. The TRA/TRA-2 complex also regulates the sex-specific splicing of downstream effector genes, doublesex (dsx) and fruitless (fru). In Ceratitis capitata, a Maleness-on the-Y (MoY) gene modulates sex-specifically spliced Cctra pre-mRNA and results in the breakdown of the Cctra autoregulatory loop in males. In this study, the tra-2 and fru genes were characterised in two key pests, Bactrocera dorsalis and B. correcta. The tra-2 genes showed high degrees of conservation among tephritids. The complex gene organisation for each of Bdfru and Bcfru were identified. There are sex-specific and non sex-specific transcripts generated by alternative promoters as found in Drosophila melanogaster and other insects. RNAi knockdown of Bdtra transcripts showed that BdTRA controls the sex-specific splicing of Bddsx and Bdfru pre-mRNAs. Developmental expression analysis shows that multiple splice variants of Bdtra and Bctra RNAs are present before and during cellular blastoderm formation and that the mature sex-specific variants become fixed later in embryogenesis. Furthermore, the BddsxM splice variants are found in early embryos at the beginning of gastulation, but BdfruM does not appear until the larval stage. We proposed that the zygotic tra loop is initiated in both female and male embryos before becoming automatised or abolished by MoY, respectively.
Inhibiting the two-component system GraXRS with verteporfin to combat Staphylococcus aureus infections
Authors: Prieto Juana María , Rapún-Araiz Beatriz , Gil Carmen , Penadés José R. , Lasa Iñigo , Latasa Cristina
Published: October 2020

Infections caused by Staphylococcus aureus pose a serious and sometimes fatal health issue. With the aim of exploring a novel therapeutic approach, we chose GraXRS, a Two-Component System (TCS) that determines bacterial resilience against host innate immune barriers, as an alternative target to disarm S. aureus. Following a drug repurposing methodology, and taking advantage of a singular staphylococcal strain that lacks the whole TCS machinery but the target one, we screened 1.280 off-patent FDA-approved drug for GraXRS inhibition. Reinforcing the connection between this signaling pathway and redox sensing, we found that antioxidant and redox-active molecules were capable of reducing the expression of the GraXRS regulon. Among all the compounds, verteporfin (VER) was really efficient in enhancing PMN-mediated bacterial killing, while topical administration of such drug in a murine model of surgical wound infection significantly reduced the bacterial load. Experiments relying on the chemical mimicry existing between VER and heme group suggest that redox active residue C227 of GraS participates in the inhibition exerted by this FDA-approved drug. Based on these results, we propose VER as a promising candidate for sensitizing S. aureus that could be helpful to combat persistent or antibiotic-resistant infections.
Reassessment of the role of CaCO3 in n-butanol production from pretreated lignocellulosic biomass by Clostridium acetobutylicum
Authors: Su Zengping , Wang Fengqin , Xie Yaohuan , Xie Hui , Mao Guotao , Zhang Hongsen , Song Andong , Zhang Zhanying
Published: October 2020

In this study, the role of CaCO3 in n-butanol production was further investigated using corn straw hydrolysate (CSH) media by Clostridium acetobutylicum CICC 8016. CaCO3 addition stimulated sugars utilization and butanol production. Further study showed that calcium salts addition to CSH media led to the increase in Ca2+ concentration both intracellularly and extracellularly. Interestingly, without calcium salts addition, intracellular Ca2+ concentration in the synthetic P2 medium was much higher than that in the CSH medium despite the lower extracellular Ca2+ concentrations in the P2 medium. These results indicated that without additional calcium salts, Ca2+ uptake by C. acetobutylicum CICC 8016 in the CSH medium may be inhibited by non-sugar biomass degradation compounds, such as furans, phenolics and organic acids. Comparative proteomics analysis results showed that most enzymes involved in glycolysis, redox balance and amino acids metabolism were up-regulated with CaCO3 addition. This study provides further insights into the role of CaCO3 in n-butanol production using real biomass hydrolysate.
Reconstructing the hydraulics of the world’s first industrial complex, the second century CE Barbegal watermills, France
Authors: Passchier Cees W. , Bourgeois Marcel , Viollet Pierre-Louis , Sürmelihindi Gül , Bernard Vincent , Leveau Philippe , Spötl Christoph
Published: October 2020

The Barbegal watermill complex, a unique cluster of 16 waterwheels in southern France, was the first known attempt in Europe to set up an industrial-scale complex of machines during the culmination of Roman Civilization in the second century CE. Little is known about the state of technological advance in this period, especially in hydraulics and the contemporary diffusion of knowledge. Since the upper part of the Barbegal mill complex has been destroyed and no traces of the wooden machinery survived, the mode of operation of these mills has long remained elusive. Carbonate incrustations that formed on the woodwork of the mills were used to reconstruct its structure and function, revealing a sophisticated hydraulic setup unique in the history of water mills. The lower mills used an elbow shaped flume to bring water onto overshot millwheels. This flume was specially adapted to the small water basins and serial arrangement of the mills on the slope. Carbonate deposits from ancient water systems are therefore a powerful tool in archaeological reconstructions and provide tantalizing insights into the skills of Roman engineers during a period of history that is the direct predecessor of our modern civilization.
Dynamic changes in nocturnal blood glucose levels are associated with sleep-related features in patients with obstructive sleep apnea
Authors: Byun Jung-Ick , Cha Kwang Su , Jun Ji Eun , Kim Tae-Joon , Jung Ki-Young , Jeong In-Kyung , Shin Won Chul
Published: October 2020

Obstructive sleep apnea (OSA) has a bidirectional relationship with insulin resistance conditions; however, the mechanism remains unclear. This study aimed to compare dynamic nocturnal glucose changes among patients with OSA of varying levels of severity and evaluate temporal changes associated with the cardinal features of OSA (sympathetic hyperactivation, intermittent hypoxemia, and sleep fragmentation) in nondiabetic subjects. Nocturnal glucose was measured with a continuous glucose monitoring device every 5 min during polysomnography (PSG). The OSA features were evaluated using heart rate variability (HRV), minimum saturation, and electroencephalography. Eleven subjects with moderate to severe OSA and 12 subjects with no or mild OSA were evaluated. Those with moderate to severe OSA showed an increasing trend in blood glucose levels after sleep onset, whereas those without or with mild OSA showed a decreasing trend (F = 8.933, p < 0.001). Delta band power also showed different trends during sleep between the two groups (F = 2.991, p = 0.009), and minimum saturation remained lower in the moderate to severe OSA group than in the no or mild OSA group. High degrees of coupling between nocturnal glucose levels and each OSA feature were observed. Altered trends in nocturnal glucose in moderate to severe OSA may reflect glucose intolerance and result in metabolic consequences. Managing the features of sleep-related OSA may have implications for metabolic management in the future.
Vertical fluxes of nutrients enhanced by strong turbulence and phytoplankton bloom around the ocean ridge in the Luzon Strait
Authors: Tsutsumi Eisuke , Matsuno Takeshi , Itoh Sachihiko , Zhang Jing , Senjyu Tomoharu , Sakai Akie , Lee Keunjong , Yanagimoto Daigo , Yasuda Ichiro , Ogawa Hiroshi , Villanoy Cesar
Published: October 2020

Steep oceanic ridges and tidal currents in the Luzon Strait generate some of the world’s strongest turbulent mixing. To evaluate the impacts of the turbulence intensity on the marine ecosystem, we carried out measurements of microstructure turbulence and biogeochemical hydrography along 21°N in the Luzon Strait during the R/V Hakuho Maru cruise, KH-17-5-2, in November 2017. We found a turbulent kinetic energy dissipation rate exceeding O(10−7) W kg−1 and vertical eddy diffusivity exceeding O(10−3) m2 s−1, two orders of magnitude larger than those in the open ocean, above a shallow sub-ridge on the eastern ridge of the Luzon Strait. In addition, a clear chlorophyll a bloom was identified in the surface layer above the sub-ridge from in situ measurements and satellite observations. High values of nitrate (4.7 mmol N m−2 d−1) and phosphate (0.33 mmol P m−2 d−1) fluxes estimated near the base of the surface chlorophyll a bloom strongly suggest that enhanced turbulent mixing promotes nutrient supply to the euphotic zone and generates new production within the surface layer, contributing to the formation of a quasi-permanent local chlorophyll a bloom north of Itbayat Island on the eastern ridge.
Electroporation and genetic supply of Cas9 increase the generation efficiency of CRISPR/Cas9 knock-in alleles in C57BL/6J mouse zygotes
Authors: Alghadban Samy , Bouchareb Amine , Hinch Robert , Hernandez-Pliego Polinka , Biggs Daniel , Preece Chris , Davies Benjamin
Published: October 2020

CRISPR/Cas9 machinery delivered as ribonucleoprotein (RNP) to the zygote has become a standard tool for the development of genetically modified mouse models. In recent years, a number of reports have demonstrated the effective delivery of CRISPR/Cas9 machinery via zygote electroporation as an alternative to the conventional delivery method of microinjection. In this study, we have performed side-by-side comparisons of the two RNP delivery methods across multiple gene loci and conclude that electroporation compares very favourably with conventional pronuclear microinjection, and report an improvement in mutagenesis efficiency when delivering CRISPR via electroporation for the generation of simple knock-in alleles using single-stranded oligodeoxynucleotide (ssODN) repair templates. In addition, we show that the efficiency of knock-in mutagenesis can be further increased by electroporation of embryos derived from Cas9-expressing donor females. The maternal supply of Cas9 to the zygote avoids the necessity to deliver the relatively large Cas9 protein, and high efficiency generation of both indel and knock-in allele can be achieved by electroporation of small single-guide RNAs and ssODN repair templates alone. Furthermore, electroporation, compared to microinjection, results in a higher rate of embryo survival and development. The method thus has the potential to reduce the number of animals used in the production of genetically modified mouse models.
Author Correction: Comprehensive genome and transcriptome analyses reveal genetic relationship, selection signature, and transcriptome landscape of small-sized Korean native Jeju horse
Authors: Srikanth Krishnamoorthy , Kim Nam-Young , Park WonCheoul , Kim Jae-Min , Kim Kwon-Do , Lee Kyung-Tai , Son Ju-Hwan , Chai Han-Ha , Choi Jung-Woo , Jang Gul-Won , Kim Heebal , Ryu Youn-Chul , Nam Jin-Wu , Park Jong-Eun , Kim Jun-Mo , Lim Dajeong
Published: October 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Metampicillin is a cyclic aminal produced by reaction of ampicillin with formaldehyde
Authors: Reinbold Raphael , John Tobias , Spingardi Paolo , Kawamura Akane , Schofield Christopher J. , Hopkinson Richard J.
Published: October 2020

Metampicillin is a β-lactam antibiotic that is prepared by the reaction of ampicillin with formaldehyde. Although metampicillin has been studied for treatment of infections in animals and humans, its structure has been unclear. We report NMR studies revealing that metampicillin contains a formaldehyde-derived cyclic aminal. NMR time-course experiments with excess formaldehyde in solution show formation of another product with an additional exocyclic hemiaminal group formed by reaction with the cyclic aminal nitrogen. The exocyclic hemiaminal group is readily removed by reaction with the formaldehyde scavenger 1,3-cyclohexanedione, whereas the cyclic aminal methylene exhibits greater stability. The overall results assign the structure of metampicillin as containing a cyclic aminal and further reveal the potential for complexity in the reaction of formaldehyde with biomedicinally relevant molecules.
Seq-SymRF: a random forest model predicts potential miRNA-disease associations based on information of sequences and clinical symptoms
Authors: Li Jinlong , Chen Xingyu , Huang Qixing , Wang Yang , Xie Yun , Dai Zong , Zou Xiaoyong , Li Zhanchao
Published: October 2020

Increasing evidence indicates that miRNAs play a vital role in biological processes and are closely related to various human diseases. Research on miRNA-disease associations is helpful not only for disease prevention, diagnosis and treatment, but also for new drug identification and lead compound discovery. A novel sequence- and symptom-based random forest algorithm model (Seq-SymRF) was developed to identify potential associations between miRNA and disease. Features derived from sequence information and clinical symptoms were utilized to characterize miRNA and disease, respectively. Moreover, the clustering method by calculating the Euclidean distance was adopted to construct reliable negative samples. Based on the fivefold cross-validation, Seq-SymRF achieved the accuracy of 98.00%, specificity of 99.43%, sensitivity of 96.58%, precision of 99.40% and Matthews correlation coefficient of 0.9604, respectively. The areas under the receiver operating characteristic curve and precision recall curve were 0.9967 and 0.9975, respectively. Additionally, case studies were implemented with leukemia, breast neoplasms and hsa-mir-21. Most of the top-25 predicted disease-related miRNAs (19/25 for leukemia; 20/25 for breast neoplasms) and 15 of top-25 predicted miRNA-related diseases were verified by literature and dbDEMC database. It is anticipated that Seq-SymRF could be regarded as a powerful high-throughput virtual screening tool for drug research and development. All source codes can be downloaded from https://github.com/LeeKamlong/Seq-SymRF.
Redox Polymers for Drug Delivery
Authors: Romero-Azogil L. , Benito E. , Iglesias N. , Galbis E. , de-Paz M.-V. , García-Martín M.-G.
Published: October 2020

During recent years the number of publications on redox polymers in relation to cancer therapy has been overwhelming. This is very significant since the development of these polymers as controlled-release systems of drugs and genetic material has represented a major achievement. They contain functional groups that respond to the different redox potentials existing in the microenvironments of the tumor cells. Thus, high concentrations of glutathione or reactive oxygen species are present in the endosome of such cells. From redox polymers, micellar, hydrogel and hollow vesicle nanosystems can be obtained. These are able to uptake the drug and release it in the target organ or tissue selectively, in response to the redox stimulus. Among the newest systems are mesoporous materials and metal–organic frameworks, which can not only respond to multiple endogenous stimuli but also to exogenous stimuli and support high drug-loading capacity. In addition, being easily functionalized and displaying good degradability and biocompatibility is an extra bonus.
Engineering a lipid droplet targeting fluorescent probe with a large Stokes shift through ester substituent rotation for in vivo tumor imaging
Authors: Wei Xing , Zhang Hongxing , Sun Yuanqiang , Liu Jing , Li Zhaohui
Published: October 2020

A lipid droplets targeting fluorescent probe with large Stokes shift (184 nm) for in vivo tumor imaging was achieved by simply appending a 4-substituted ester group on to the classic coumarin.
Tiered approach to long-term weathered lubricating oil analysis: GC/FID, GC/MS diagnostic ratios, and multivariate statistics
Authors: Chua Candice C. , Brunswick Pamela , Kwok Honoria , Yan Jeffrey , Cuthbertson Daniel , van Aggelen Graham , Shang Dayue
Published: October 2020

A multivariate statistical approach serves as a powerful tool for dealing with a challenging, simulated lube oil forensic study.
A study of microbially fabricated bio-conjugated quantum dots for pico-molar sensing of H2O2 and glucose
Authors: Mahle Reddhy , Mandal Debabrata , Kumbhakar Partha , Chandra Amreesh , Tiwary Chandra Sekhar , Banerjee Rintu
Published: October 2020

Synthesis of bio-functionalized quantum dots to detect diminutive amounts of biomolecules such as glucose and H2O2.
Fast and efficient electrical–thermal responses of functional nanoparticle decorated nanocarbon aerogels
Authors: Xia Dong , Huang Peng , Li Heng , Rubio Carrero Noelia
Published: October 2020

We report multifunctional nanoparticle/nanocarbon hybrid aerogels for effective and energy-efficient regeneration of exhausted functional nanoparticles.
A COF-based anti-interference nanoplatform for intracellular nucleic acid imaging
Authors: Gao Peng , Wang Mengzhen , Wan Xiuyan , Liu Xiaohan , Pan Wei , Li Na , Tang Bo
Published: October 2020

A porphyrin covalent organic framework-based nanoplatform was demonstrated. The nanoplatform could effectively avoid the interference of proteins and biothiols and realize high-fidelity mRNA imaging in living cells.
Intramolecular aryl–aryl coupling via C–F bond activation tolerant towards C–I functionality
Authors: Steiner Ann-Kristin , Feofanov Mikhail , Amsharov Konstantin
Published: October 2020

Herein we report a transition-metal free activation of a particularly stable aromatic carbon–fluorine bond allowing intramolecular aryl–aryl coupling which is orthogonal to carbon–iodine functionality.
A bench-stable copper photocatalyst for the rapid hydrophosphination of activated and unactivated alkenes
Authors: Dannenberg Steven G. , Waterman Rory
Published: October 2020

Cu(acac)2 is a highly active, bench-stable catalyst precursor for hydrophosphination of a wide range of alkenes and alkynes.
Formation of the Cd2Te2O7 phase induced by chemical etching and its influence on the electrical properties of Au/CdTe contacts
Authors: Shi Xiaokai , Ma Juanjuan , Zheng Lijian , Yue Xiuping , Liu Lijun
Published: October 2020

Cd2Te2O7 phase was firstly discovered at the surface of CdTe after chemical etching process. Such phase is confirmed to increase the surface leakage current and optimize the ohmic contact of Au/CdTe.
Unusual porous crystals via catenation of 1D ladders: unprecedented mixture effects on the adsorption of xylene isomers in a SCSC mode
Authors: Lee Soojin , Kim Dongwon , Park In-Hyeok , Jung Ok-Sang
Published: October 2020

The pseudo 2D open-channel crystals formed via catenation of 1D ladders show unusual mixture effects on the adsorption of o-, m-, and p-xylene isomers in a SCSC mode, and are a practical template for structural determination of small hydrocarbons.
Direct time-resolved detection and quantification of key reactive intermediates in diethyl ether oxidation at T = 450–600 K
Authors: Demireva Maria , Au Kendrew , Sheps Leonid
Published: October 2020

High-pressure multiplexed photoionization mass spectrometry (MPIMS) with tunable vacuum ultraviolet (VUV) ionization radiation from the Lawrence Berkeley Labs Advanced Light Source is used to characterize and quantify key reaction intermediates in the oxidation of diethyl ether (DEE).
Quantifying reversible nitrogenous ligand binding to Co(ii) porphyrin receptors at the solution/solid interface and in solution
Authors: Johnson Kristen N. , Hipps K. W. , Mazur Ursula
Published: October 2020

Single molecule microscopy can quantifiably probe the dynamics of reversible ligand binding to metalloporphyrin receptors at the solution/solid interface.
Quantum dynamics of the ππ*/nπ* decay of the epigenetic nucleobase 1,5-dimethyl-cytosine in the gas phase
Authors: Yaghoubi Jouybari Martha , Liu Yanli , Improta Roberto , Santoro Fabrizio
Published: October 2020

A partial ultrafast ππ* → nπ* transfer is predicted. Many vibrational modes are activated, but oscillations of bonds and angles are quickly damped.
The Born model can accurately describe electrostatic ion solvation
Authors: Duignan Timothy T. , Zhao X. S.
Published: October 2020

The solvation free energies of ions in water are consistent with the Born linear response model if the centre on which the ion–water repulsion force acts is moved from the oxygen atom towards the hydrogens.
Investigating structure-charge transport relationships in thiophene substituted naphthyridine crystalline materials by computational model systems
Authors: Lewis Madeline M. , Ahmed Adeel A. , Gerstmann Lisa , Calvo-Castro Jesus
Published: October 2020

An in-depth evaluation of the charge transfer properties of naphthyridine-based systems is reported.
Inelastic helium atom scattering from Sb2Te3(111): phonon dispersion, focusing effects and surfing
Authors: Ruckhofer Adrian , Halbritter Simon , Lund Henriette E. , Holt Ann Julie U. , Bianchi Marco , Bremholm Martin , Benedek Giorgio , Hofmann Philip , Ernst Wolfgang E. , Tamtögl Anton
Published: October 2020

We report the surface phonon dispersion of the topological insulator Sb2Te3 together with a number of additional inelastic events, including resonance enhancement, kinematical focusing and surfing.
Modeling of spin–spin distance distributions for nitroxide labeled biomacromolecules
Authors: Spicher Sebastian , Abdullin Dinar , Grimme Stefan , Schiemann Olav
Published: October 2020

Combining CREST and MD simulations based on GFN-FF for the automated computation of distance distributions for nitroxide labeled (metallo-) proteins.
Using coarse-grained molecular dynamics to rationalize biomolecule solubilization mechanisms in ionic liquid-based colloidal systems
Authors: Bastos Henrique , Bento Ricardo , Schaeffer Nicolas , Coutinho João A. P. , Pérez-Sánchez Germán
Published: October 2020

Understanding the spectrum of solubilization mechanisms as a key to improve the extraction of poorly soluble compounds.
Structural characterization and magnetic properties of chromium jarosite KCr3(OD)6(SO4)2
Authors: Janas Sofie , Sørensen Mathilde B. , Andersen Anders B. A. , Juelsholt Mikkel , Boehm Martin , Pedersen Kasper S. , Jensen Kirsten M. Ø. , Lefmann Kim , Nielsen Ulla Gro
Published: October 2020

KCr3(OH)6(SO4)2 (97–99% Cr occupancy) is not a spin liquid and exhibits stacking disorder due to mixed K and DnO occupancy.
Covalent labeling of nucleic acids
Authors: Klöcker Nils , Weissenboeck Florian P. , Rentmeister Andrea
Published: October 2020

Labeling of nucleic acids is required for many studies aiming to elucidate their functions and dynamicsin vitroand in cells.
The direct synthesis of hydrogen peroxide using a combination of a hydrophobic solvent and water
Authors: Akram Adeeba , Shaw Greg , Lewis Richard J. , Piccinini Marco , Morgan David J. , Davies Thomas E. , Freakley Simon J. , Edwards Jennifer K. , Moulijn Jacob A. , Hutchings Graham J.
Published: October 2020

The use of a hydrophobic solvent in combination with water leads to significant suppression of H2O2 degradation pathways over a AuPd/C catalyst.
Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg2+ and Fe3+ cations
Authors: Wang Xiaokang , Wang Yutong , Wang Xia , Lu Kebin , Jiang Weifeng , Cui Pei-Pei , Hao Hongguo , Dai Fangna
Published: October 2020

Two Eu-MOFs synthesized by a solvent-induced self-assembly strategy demonstrate selectively sensing of Mg2+ and Fe3+ cations.
Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties
Authors: Diamantis Stavros A. , Hatzidimitriou Antonios , Plessas Alexios K. , Pournara Anastasia , Manos Manolis J. , Papaefstathiou Giannis S. , Lazarides Theodore
Published: October 2020

We present a series of alkaline earth-organic frameworks based on amino-substituted 2,6-naphthalene dicarboxylate bridging ligands featuring infinite rod and rarely observed square planar M4 secondary building units (SBUs).
Ecotoxicological impact of graphene oxide: toxic effects on the model organism Artemia franciscana
Authors: Cavion Federica , Fusco Laura , Sosa Silvio , Manfrin Chiara , Alonso Beatriz , Zurutuza Amaia , Della Loggia Roberto , Tubaro Aurelia , Prato Maurizio , Pelin Marco
Published: October 2020

The environmental impact of graphene oxide was evaluated on the model organism Artemia franciscana for ecotoxicological studies considering different biological parameters.
Regularized regression analysis for the prediction of virus inactivation efficiency by chloramine disinfection
Authors: Kadoya Syun-suke , Nishimura Osamu , Kato Hiroyuki , Sano Daisuke
Published: October 2020

The sparse modeling methods using water quality information as explanatory variables enable us to appropriately predict virus inactivation efficiency in wastewater treatment plants.
Installation of a bioelectrochemical system as a pre-cleaner in a constructed wetland with higher pollutant loading under continuous mode
Authors: Kumar Manoj , Singh Rajesh
Published: October 2020

In this study, two-phase continuous vertical flow constructed wetlands were installed with a pre-cleaner bioelectrochemical system for the removal of NH4+-N (60.41–85.78%), NO3−-N (25.55–35.18%), TN (57.80–84.65%), TKN (37.24–70.08%), PO43−-P (38.89–63.40%), SO42− (49.53–76.06%), and COD (25.83–74.70%) from municipal wastewater.
Synthesis of hydroxyl-containing oxindoles and 3,4-dihydroquinolin-2-ones through oxone-mediated cascade arylhydroxylation of activated alkenes
Authors: Zhang Ming-Zhong , Liu Long , Gou Quan , Wang Qi , Li Yi , Li Wan-Ting , Luo Fei , Yuan Min , Chen Tieqiao , He Wei-Min
Published: October 2020

The first oxone-mediated cascade arylhydroxylation of activated alkenes for the synthesis of valuable hydroxyl-containing oxindoles and 3,4-dihydroquinolin-2-ones under additional additive- and catalyst-free conditions was developed.
Improved antiproliferative activity of novel Pulsatilla saponin D/α-hederin derivatives containing nitric oxide donors
Authors: Yang Zunhua , Li Huilan , Li Zhifeng , Feng Yulin , Jin Yi , Liu Yanhua , Li Mingdong , Liu Ronghua , Fang Yuanying
Published: October 2020

Conjugates of PSD and furoxan exhibited synergetic effects on enhancing antiproliferative activity and reducing hemolytic toxicity.
Induced spin polarization in graphene via interactions with halogen doped MoS2 and MoSe2 monolayers by DFT calculations
Authors: Sukhanova Ekaterina V. , Kvashnin Dmitry G. , Popov Zakhar I.
Published: October 2020

Doped TMD structures can cause spin polarization in graphene, which is also reflected in STM images.
Correction: A multi-component reaction for the synthesis of pyrido [1,2-b] isoquinoline derivatives via the [3 + 2] cycloaddition reaction between alkynes and in situ generated isoquinolinium ylides
Authors: Shinde Sundar S. , Laha Soumi , Tiwari Dharmendra K. , Sridhar B. , Likhar Pravin R.
Published: October 2020

Correction for ‘A multi-component reaction for the synthesis of pyrido [1,2-b] isoquinoline derivatives via the [3 + 2] cycloaddition reaction between alkynes and in situ generated isoquinolinium ylides’ by Sundar S. Shinde et al., Org. Biomol. Chem., 2019, 17, 4121–4128, DOI: 10.1039/C9OB00560A.
A monolithic sponge catalyst for hydrogen generation from sodium borohydride solution for portable fuel cells
Authors: Deng Jifeng , Sun Bingxue , Xu Jinrong , Shi Yu , Xie Lei , Zheng Jie , Li Xingguo
Published: October 2020

A monolithic sponge catalyst for onsite H2 generation from the hydrolysis of NaBH4 for fuel cells, featuring a quasi-solid state, unrestricted reactor orientation and easy catalyst recycling.
Hydrogen transport property of polymer-derived cobalt cation-doped amorphous silica
Authors: Tada Shotaro , Ando Shiori , Asaka Toru , Daiko Yusuke , Honda Sawao , Bernard Samuel , Iwamoto Yuji
Published: October 2020

The effect of the local structure of Co-doped amorphous silica on the hydrogen transport property was studied with the aim to improve the high-temperature hydrogen-permselectivity of microporous amorphous silica-based membranes.
Enzymatic preparation of glycerophosphatilcholine catalyzed by combinational phospholipases: a comparative study of concertedversusstepwise catalysis
Authors: Liang Shaohua , Wang Shukun , Meng Yannan , Sun Cong
Published: October 2020

The addition methods of PLA1and PLA2had a vital influence on the preparation of GPC, and the method of PLA2→ A1was the most effective.
Photocatalytic degradation of diphenhydramine in aqueous solution by natural dolomite
Authors: Song Lihong , Yi Chunlin , Wu Qingfeng , Li Zhaohui , Zhang Weibin , Hong Hanlie
Published: October 2020

Natural dolomite, an inexpensive and vastly available natural material, was demonstrated as a potential heterogeneous photocatalyst for the efficient removal of diphenhydramine (DP) from aqueous solution under simulated solar light in this study.
Bifunctional thiosquaramide catalyzed asymmetric reduction of dihydro-β-carbolines and enantioselective synthesis of (−)-coerulescine and (−)-horsfiline by oxidative rearrangement
Authors: Sathish Manda , Nachtigall Fabiane M. , Santos Leonardo S.
Published: October 2020

A simple and efficient asymmetric synthesis of THBCs through a chiral thiosquaramide11bcatalyzed imine reduction of dihydro-β-carbolines (17a−f) and syntheses of (−)-coerulescine and (–)-horsfilineviaenantioselective oxidative rearrangement.
Hydrogen evolution reaction at the interfaces of two-dimensional lateral heterostructures: a first-principles study
Authors: Hu Huimin , Choi Jin-Ho
Published: October 2020

Owing to the synergetic effects of different two-dimensional (2D) materials, 2D heterostructures have recently attracted much attention in the field of catalysis.
The sporothriolides. A new biosynthetic family of fungal secondary metabolites
Authors: Tian Dong-Song , Kuhnert Eric , Ouazzani Jamal , Wibberg Daniel , Kalinowski Jörn , Cox Russell J.
Published: October 2020

A new family of fungal biosynthetic pathways is elucidated based on the use of fatty acid and citrate-like intermediates.
Post-synthetic modification of ionic liquids using ligand-exchange and redox coordination chemistry
Authors: LeRoy Michael A. , Mroz Austin M. , Mancuso Jenna L. , Miller Aaron , Van Cleve Allison , Check Casey , Heinz Hendrik , Hendon Christopher H. , Brozek Carl K.
Published: October 2020

Ionic liquids (ILs) derive their useful properties from molecularly tunable compositions, but methods to diversify anion identities and probe ion speciation remain limited.
Hydrogel-supported graphitic carbon nitride nanosheets loaded with Pt atoms as a novel self-water-storage photocatalyst for H2 evolution
Authors: Lei Lin , Wang Weijia , Wang Chao , Fan Huiqing , Yadav Arun Kumar , Hu Neng , Zhong Qi , Müller-Buschbaum Peter
Published: October 2020

The hydrogel-supported CN photocatalyst for H2 evolution frees itself from an aqueous suspension by using the water stored in hydrogels.
High-performance metal–iodine batteries enabled by a bifunctional dendrite-free Li–Na alloy anode
Authors: Yu Donglin , Liu Dong , Shi Lei , Qiu Jieshan , Dai Liming
Published: October 2020

Rechargeable aprotic alkali metal (Li and Na)–iodine (AM–I2) batteries with high theoretical capacity and specific energy density have emerged as one of the promising energy storage technologies.
Uniphase ruthenium–iridium alloy-based electronic regulation for electronic structure–function study in methane oxidation to methanol
Authors: Yang Le , Huang Jinxu , Dai Sheng , Tang Xuan , Hu Zhe , Li Ming , Zeng Hui , Luque Rafael , Duan Peigao , Rui Zebao
Published: October 2020

Alloy-driven electronic regulation for structure–function relationship exploration.
Recent progress in ternary organic solar cells based on solution-processed non-fullerene acceptors
Authors: Zhou Dan , You Wen , Xu Haitao , Tong Yongfen , Hu Bin , Xie Yu , Chen Lie
Published: October 2020

A comprehensive review on TOSCs, which can provide valuable guidance for the further development of high-performance TOSCs with good stability.
Unravelling the origin of the photocarrier dynamics of fullerene-derivative passivation of SnO2 electron transporters in perovskite solar cells
Authors: Huang Shao-Ku , Wang Ying-Chiao , Ke Wei-Chen , Kao Yu-Ting , She Nian-Zu , Li Jia-Xing , Luo Chih-Wei , Yabushita Atsushi , Wang Di-Yan , Chang Yuan Jay , Tsukagoshi Kazuhito , Chen Chun-Wei
Published: October 2020

Effects of the CPTA-passivated SnO2 electron transport layer on photocarrier dynamics in perovskite solar cells revealed by ultrafast pump-probe technique.
High-performance Na–CO2batteries with ZnCo2O4@CNT as the cathode catalyst
Authors: Thoka Subashchandrabose , Tong Zizheng , Jena Anirudha , Hung Tai-Feng , Wu Ching-Chen , Chang Wen-Sheng , Wang Fu-Ming , Wang Xing-Chun , Yin Li-Chang , Chang Ho , Hu Shu-Fen , Liu Ru-Shi
Published: October 2020

Rechargeable Na–CO2batteries are promising energy storage devices as they not only provide high energy density but also utilize earth-abundant Na and the greenhouse gas CO2.
Effective enhancement of thermoelectric and mechanical properties of germanium telluride via rhenium-doping
Authors: Suwardi Ady , Lim Su Hui , Zheng Yun , Wang Xizu , Chien Sheau Wei , Tan Xian Yi , Zhu Qiang , Wong Lai Mun Nancy , Cao Jing , Wang Weide , Yan Qingyu , Tan Chee Kiang Ivan , Xu Jianwei
Published: October 2020

The introduction of 2% rhenium into GeTe leads to the remarkable enhancement of Vickers microhardness from 145 to 342 MPa, as well as a 16.5% improvement in Young's modulus but not at the expense of thermoelectric properties.
Sphingosine-1-phosphate in anti-neutrophil cytoplasmic antibody-associated vasculitis: coagulation-related clinical indicators and complications
Authors: Wu Kai-Li , Liang Qing-Hui , Ding Na , Li Bo-Wei , Hao Jian
Published: October 2020

Background: Sphingosine-1-phosphate (S1P) plays a significant role in anti-neutrophil cytoplasmic antibody (ANCA)-associated vasculitis (AAV).

Methods: We collected the plasma samples from 40 patients with AAV and 10 healthy volunteers. The plasma levels of S1P were tested by enzyme-linked immunosorbent assay (ELISA). The levels of serum creatinine (Scr) were tested by rate method, and then the estimated glomerular filtration rate (eGFR) of the patients was calculated from the Scr, age, and gender. Prothrombin time (PT), partial thromboplastin time (APTT), thrombin time (TT), fibrinogen (FIB), fibrinogen reduction product (FDP), D-dimer and C-reactive protein (CRP) were tested by turbidimetric inhibition immunoassays. Platelets (PLTs) were tested by fluorescently labeled electrical impedance method.

Results: The plasma levels of S1P were significantly higher in AAV patients than in healthy volunteers. Correlation analysis showed that plasma levels of S1P were negatively correlated with glomerular filtration (P=0.022, r = −0.306), and positively correlated with circulating levels of Birmingham vasculitis activity score (BVAS), PLT and D-dimer, (P=0.004, r = 0.443; P<0.001, r = 0.654; P=0.006, r = 0.427). The 40 patients with AAV were classified into three groups: the thromboembolism group (with complications of cerebral infarction and myocardial infarction, n=6), cerebral ischemia group (n=4), and cerebral hemorrhage group (n=2). The plasma levels of S1P were highest in the thromboembolism group and lowest in the cerebral hemorrhage group (P=0.003).

Conclusions: Plasma levels of S1P were associated with circulating levels of D-dimer, PLT and BVAS in the patients with AAV. Hence, plasma S1P level can be used as a biomarker to predict coagulation-related complications in AAV.
The role of AP-4 in cargo export from the trans-Golgi network and hereditary spastic paraplegia
Authors: Mattera Rafael , De Pace Raffaella , Bonifacino Juan S.
Published: October 2020

Heterotetrameric adaptor protein (AP) complexes play key roles in protein sorting and transport vesicle formation in the endomembrane system of eukaryotic cells. One of these complexes, AP-4, was identified over 20 years ago but, up until recently, its function remained unclear. AP-4 associates with the trans-Golgi network (TGN) through interaction with small GTPases of the ARF family and recognizes transmembrane proteins (i.e. cargos) having specific sorting signals in their cytosolic domains. Recent studies identified accessory proteins (tepsin, RUSC2 and the FHF complex) that co-operate with AP-4, and cargos (amyloid precursor protein, ATG9A and SERINC3/5) that are exported from the TGN in an AP-4-dependent manner. Defective export of ATG9A from the TGN in AP-4-deficient cells was shown to reduce ATG9A delivery to pre-autophagosomal structures, impairing autophagosome formation and/or maturation. In addition, mutations in AP-4-subunit genes were found to cause neurological dysfunction in mice and a form of complicated hereditary spastic paraplegia referred to as ‘AP-4-deficiency syndrome’ in humans. These findings demonstrated that mammalian AP-4 is required for the development and function of the central nervous system, possibly through its role in the sorting of ATG9A for the maintenance of autophagic homeostasis. In this article, we review the properties and functions of AP-4, and discuss how they might explain the clinical features of AP-4 deficiency.
Constraining the accretion flow density profile near Sgr A* using theL′-band emission of the S2 star
Authors: Hosseini S. Elaheh , Zajaček Michal , Eckart Andreas , Sabha Nadeen B. , Labadie Lucas
Published: October 2020

Context.The density of the ambient medium around a supermassive black hole (SMBH) and the way it varies with distance plays an important role in our understanding of the inflow-outflow mechanisms in the Galactic centre (GC). This dependence is often fitted by spherical power-law profiles based on observations in the X-ray, infrared (IR), submillimetre (submm), and radio domains.

Aims.Nevertheless, the density profile is poorly constrained at the intermediate scales of 1000 Schwarzschild radii (Rs). Here we independently constrain the spherical density profile using the stellar bow shock of the star S2 which orbits the SMBH at the GC with the pericentre distance of 14.4 mas (∼1500 Rs).

Methods.Assuming an elliptical orbit, we apply celestial mechanics and the theory of bow shocks that are at ram pressure equilibrium. We analyse the measured IR flux density and magnitudes of S2 in theL′-band (3.8 micron) obtained over seven epochs in the years between 2004–2018. We put an upper limit on the emission from S2’s associated putative bow shock and constrain the density profile of the ambient medium.

Results.We detect no significant change in S2 flux density until the recent periapse in May 2018. The intrinsic flux variability of S2 is at the level of 2–3%. Based on the dust-extinction model, the upper limit on the number density at the S2 periapse is ∼1.87  ×  109 cm−3, which yields a density slope of at most 3.20. Using the synchrotron bow-shock emission, we obtain the ambient density of ≲1.01  ×  105 cm−3and a slope of ≲1.47. These values are consistent with a wide variety of media from hot accretion flows to potentially colder and denser media comparable in properties to broad-line-region clouds. However, a standard thin disc can be excluded at the distance of S2’s pericentre.

Conclusions.With the current photometry sensitivity of 0.01 mag, we are not able to make stringent constraints on the density of the ambient medium in the GC using S2-star observations. We can distinguish between hot accretion flows and thin, cold discs, where the latter can be excluded at the scale of the S2 periapse. Future observations of stars in the S cluster using instruments such as Mid-IR Extremely Large Telescope Imager and Spectrograph at Extremely Large Telescope with the photometric sensitivity of as much as 10−3mag will allow the GC medium to be probed at intermediate scales at densities as low as ∼700 cm−3in case of non-thermal bow-shock emission. The new instrumentation, in combination with discoveries of stars with smaller pericentre distances, will help to independently constrain the density profile around Sagittarius A* (Sgr A*).
The GUAPOS project: G31.41+0.31 Unbiased ALMA sPectral Observational Survey
Authors: Mininni C. , Beltrán M. T. , Rivilla V. M. , Sánchez-Monge A. , Fontani F. , Möller T. , Cesaroni R. , Schilke P. , Viti S. , Jiménez-Serra I. , Colzi L. , Lorenzani A. , Testi L.
Published: October 2020

Context.One of the goals of astrochemistry is to understand the degree of chemical complexity that can be reached in star-forming regions, along with the identification of precursors of the building blocks of life in the interstellar medium. To answer such questions, unbiased spectral surveys with large bandwidth and high spectral resolution are needed, in particular, to resolve line blending in chemically rich sources and identify each molecule (especially for complex organic molecules). These kinds of observations have already been successfully carried out, primarily towards the Galactic Center, a region that shows peculiar environmental conditions.

Aims.We present an unbiased spectral survey of one of the most chemically rich hot molecular cores located outside the Galactic Center, in the high-mass star-forming region G31.41+0.31. The aim of this 3mm spectral survey is to identify and characterize the physical parameters of the gas emission in different molecular species, focusing on complex organic molecules. In this first paper, we present the survey and discuss the detection and relative abundances of the three isomers of C2H4O2: methyl formate, glycolaldehyde, and acetic acid.

Methods.Observations were carried out with the ALMA interferometer, covering all of band 3 from 84 to 116 GHz (~32 GHz bandwidth) with an angular resolution of 1.2′′ × 1.2′′ (~ 4400 au × 4400 au) and a spectral resolution of ~0.488 MHz (~1.3−1.7 km s−1). The transitions of the three molecules have been analyzed with the software XCLASS to determine the physical parameters of the emitted gas.

Results.All three isomers were detected with abundances of (2 ± 0.6) × 10−7, (4.3−8) × 10−8, and (5.0 ± 1.4) × 10−9for methyl formate, acetic acid, and glycolaldehyde, respectively. Methyl formate and acetic acid abundances are the highest detected up to now, if compared to sources in the literature. The size of the emission varies among the three isomers with acetic acid showing the most compact emission while methyl formate exhibits the most extended emission. Different chemical pathways, involving both grain-surface chemistry and cold or hot gas-phase reactions, have been proposed for the formation of these molecules, but the small number of detections, especially of acetic acid and glycolaldehyde, have made it very difficult to confirm or discard the predictions of the models. The comparison with chemical models in literature suggests the necessity of grain-surface routes for the formation of methyl formate in G31, while for glycolaldehyde both scenarios could be feasible. The proposed grain-surface reaction for acetic acid is not capable of reproducing the observed abundance in this work, while the gas-phase scenario should be further tested, given the large uncertainties involved.