bluuebunny/crossref_metadata_2025 huggingface dataset:
A leap in quantum efficiency through light harvesting in photoreceptor UVR8
Authors: Li Xiankun , Ren Haisheng , Kundu Mainak , Liu Zheyun , Zhong Frank W. , Wang Lijuan , Gao Jiali , Zhong Dongping
Published: August 2020

Plants utilize a UV-B (280 to 315 nm) photoreceptor UVR8 (UV RESISTANCE LOCUS 8) to sense environmental UV levels and regulate gene expression to avoid harmful UV effects. Uniquely, UVR8 uses intrinsic tryptophan for UV-B perception with a homodimer structure containing 26 structural tryptophan residues. However, besides 8 tryptophans at the dimer interface to form two critical pyramid perception centers, the other 18 tryptophans’ functional role is unknown. Here, using ultrafast fluorescence spectroscopy, computational methods and extensive mutations, we find that all 18 tryptophans form light-harvesting networks and funnel their excitation energy to the pyramid centers to enhance light-perception efficiency. We determine the timescales of all elementary tryptophan-to-tryptophan energy-transfer steps in picoseconds to nanoseconds, in excellent agreement with quantum computational calculations, and finally reveal a significant leap in light-perception quantum efficiency from 35% to 73%. This photoreceptor is the first system discovered so far, to be best of our knowledge, using natural amino-acid tryptophans to form networks for both light harvesting and light perception.
Genetically controlled membrane synthesis in liposomes
Authors: Blanken Duco , Foschepoth David , Serrão Adriana Calaça , Danelon Christophe
Published: August 2020

Lipid membranes, nucleic acids, proteins, and metabolism are essential for modern cellular life. Synthetic systems emulating the fundamental properties of living cells must therefore be built upon these functional elements. In this work, phospholipid-producing enzymes encoded in a synthetic minigenome are cell-free expressed within liposome compartments. The de novo synthesized metabolic pathway converts precursors into a variety of lipids, including the constituents of the parental liposome. Balanced production of phosphatidylethanolamine and phosphatidylglycerol is realized, owing to transcriptional regulation of the activity of specific genes combined with a metabolic feedback mechanism. Fluorescence-based methods are developed to image the synthesis and membrane incorporation of phosphatidylserine at the single liposome level. Our results provide experimental evidence for DNA-programmed membrane synthesis in a minimal cell model. Strategies are discussed to alleviate current limitations toward effective liposome growth and self-reproduction.
High force catch bond mechanism of bacterial adhesion in the human gut
Authors: Liu Zhaowei , Liu Haipei , Vera Andrés M. , Bernardi Rafael C. , Tinnefeld Philip , Nash Michael A.
Published: August 2020

Bacterial colonization of the human intestine requires firm adhesion of bacteria to insoluble substrates under hydrodynamic flow. Here we report the molecular mechanism behind an ultrastable protein complex responsible for resisting shear forces and adhering bacteria to cellulose fibers in the human gut. Using single-molecule force spectroscopy (SMFS), single-molecule FRET (smFRET), and molecular dynamics (MD) simulations, we resolve two binding modes and three unbinding reaction pathways of a mechanically ultrastable R. champanellensis (Rc) Dockerin:Cohesin (Doc:Coh) complex. The complex assembles in two discrete binding modes with significantly different mechanical properties, with one breaking at ~500 pN and the other at ~200 pN at loading rates from 1-100 nN s−1. A neighboring X-module domain allosterically regulates the binding interaction and inhibits one of the low-force pathways at high loading rates, giving rise to a catch bonding mechanism that manifests under force ramp protocols. Multi-state Monte Carlo simulations show strong agreement with experimental results, validating the proposed kinetic scheme. These results explain mechanistically how gut microbes regulate cell adhesion strength at high shear stress through intricate molecular mechanisms including dual-binding modes, mechanical allostery and catch bonds.
Complete chemical structures of human mitochondrial tRNAs
Authors: Suzuki Takeo , Yashiro Yuka , Kikuchi Ittoku , Ishigami Yuma , Saito Hironori , Matsuzawa Ikuya , Okada Shunpei , Mito Mari , Iwasaki Shintaro , Ma Ding , Zhao Xuewei , Asano Kana , Lin Huan , Kirino Yohei , Sakaguchi Yuriko , Suzuki Tsutomu
Published: August 2020

Mitochondria generate most cellular energy via oxidative phosphorylation. Twenty-two species of mitochondrial (mt-)tRNAs encoded in mtDNA translate essential subunits of the respiratory chain complexes. mt-tRNAs contain post-transcriptional modifications introduced by nuclear-encoded tRNA-modifying enzymes. They are required for deciphering genetic code accurately, as well as stabilizing tRNA. Loss of tRNA modifications frequently results in severe pathological consequences. Here, we perform a comprehensive analysis of post-transcriptional modifications of all human mt-tRNAs, including 14 previously-uncharacterized species. In total, we find 18 kinds of RNA modifications at 137 positions (8.7% in 1575 nucleobases) in 22 species of human mt-tRNAs. An up-to-date list of 34 genes responsible for mt-tRNA modifications are provided. We identify two genes required for queuosine (Q) formation in mt-tRNAs. Our results provide insight into the molecular mechanisms underlying the decoding system and could help to elucidate the molecular pathogenesis of human mitochondrial diseases caused by aberrant tRNA modifications.
Cyst growth in ADPKD is prevented by pharmacological and genetic inhibition of TMEM16A in vivo
Authors: Cabrita Ines , Kraus Andre , Scholz Julia Katharina , Skoczynski Kathrin , Schreiber Rainer , Kunzelmann Karl , Buchholz Björn
Published: August 2020

In autosomal dominant polycystic kidney disease (ADPKD) multiple bilateral renal cysts gradually enlarge, leading to a decline in renal function. Transepithelial chloride secretion through cystic fibrosis transmembrane conductance regulator (CFTR) and TMEM16A (anoctamin 1) are known to drive cyst enlargement. Here we demonstrate that loss of Pkd1 increased expression of TMEM16A and CFTR and Cl− secretion in murine kidneys, with TMEM16A essentially contributing to cyst growth. Upregulated TMEM16A enhanced intracellular Ca2+ signaling and proliferation of Pkd1-deficient renal epithelial cells. In contrast, increase in Ca2+ signaling, cell proliferation and CFTR expression was not observed in Pkd1/Tmem16a double knockout mice. Knockout of Tmem16a or inhibition of TMEM16A in vivo by the FDA-approved drugs niclosamide and benzbromarone, as well as the TMEM16A-specific inhibitor Ani9 largely reduced cyst enlargement and abnormal cyst cell proliferation. The present data establish a therapeutic concept for the treatment of ADPKD.
Selective flexible packaging pathways of the segmented genome of influenza A virus
Authors: Haralampiev Ivan , Prisner Simon , Nitzan Mor , Schade Matthias , Jolmes Fabian , Schreiber Max , Loidolt-Krüger Maria , Jongen Kalle , Chamiolo Jasmine , Nilson Niklaas , Winter Franziska , Friedman Nir , Seitz Oliver , Wolff Thorsten , Herrmann Andreas
Published: August 2020

The genome of influenza A viruses (IAV) is encoded in eight distinct viral ribonucleoproteins (vRNPs) that consist of negative sense viral RNA (vRNA) covered by the IAV nucleoprotein. Previous studies strongly support a selective packaging model by which vRNP segments are bundling to an octameric complex, which is integrated into budding virions. However, the pathway(s) generating a complete genome bundle is not known. We here use a multiplexed FISH assay to monitor all eight vRNAs in parallel in human lung epithelial cells. Analysis of 3.9 × 105 spots of colocalizing vRNAs provides quantitative insights into segment composition of vRNP complexes and, thus, implications for bundling routes. The complexes rarely contain multiple copies of a specific segment. The data suggest a selective packaging mechanism with limited flexibility by which vRNPs assemble into a complete IAV genome. We surmise that this flexibility forms an essential basis for the development of reassortant viruses with pandemic potential.
Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 Å
Authors: Flores Jonathan A. , Haddad Bassam G. , Dolan Kimberly A. , Myers Janette B. , Yoshioka Craig C. , Copperman Jeremy , Zuckerman Daniel M. , Reichow Steve L.
Published: August 2020

Gap junctions establish direct pathways for cells to transfer metabolic and electrical messages. The local lipid environment is known to affect the structure, stability and intercellular channel activity of gap junctions; however, the molecular basis for these effects remains unknown. Here, we incorporate native connexin-46/50 (Cx46/50) intercellular channels into a dual lipid nanodisc system, mimicking a native cell-to-cell junction. Structural characterization by CryoEM reveals a lipid-induced stabilization to the channel, resulting in a 3D reconstruction at 1.9 Å resolution. Together with all-atom molecular dynamics simulations, it is shown that Cx46/50 in turn imparts long-range stabilization to the dynamic local lipid environment that is specific to the extracellular lipid leaflet. In addition, ~400 water molecules are resolved in the CryoEM map, localized throughout the intercellular permeation pathway and contributing to the channel architecture. These results illustrate how the aqueous-lipid environment is integrated with the architectural stability, structure and function of gap junction communication channels.
Fluxing of mantle carbon as a physical agent for metallogenic fertilization of the crust
Authors: Blanks Daryl E. , Holwell David A. , Fiorentini Marco L. , Moroni Marilena , Giuliani Andrea , Tassara Santiago , González-Jiménez José M. , Boyce Adrian J. , Ferrari Elena
Published: August 2020

Magmatic systems play a crucial role in enriching the crust with volatiles and elements that reside primarily within the Earth’s mantle, including economically important metals like nickel, copper and platinum-group elements. However, transport of these metals within silicate magmas primarily occurs within dense sulfide liquids, which tend to coalesce, settle and not be efficiently transported in ascending magmas. Here we show textural observations, backed up with carbon and oxygen isotope data, which indicate an intimate association between mantle-derived carbonates and sulfides in some mafic-ultramafic magmatic systems emplaced at the base of the continental crust. We propose that carbon, as a buoyant supercritical CO2 fluid, might be a covert agent aiding and promoting the physical transport of sulfides across the mantle-crust transition. This may be a common but cryptic mechanism that facilitates cycling of volatiles and metals from the mantle to the lower-to-mid continental crust, which leaves little footprint behind by the time magmas reach the Earth’s surface.
Dynamic remodelling of the human host cell proteome and phosphoproteome upon enterovirus infection
Authors: Giansanti Piero , Strating Jeroen R. P. M. , Defourny Kyra A. Y. , Cesonyte Ieva , Bottino Alexia M. S. , Post Harm , Viktorova Ekaterina G. , Ho Vien Quang Tri , Langereis Martijn A. , Belov George A. , Nolte-‘t Hoen Esther N. M. , Heck Albert J. R. , van Kuppeveld Frank J. M.
Published: August 2020

The group of enteroviruses contains many important pathogens for humans, including poliovirus, coxsackievirus, rhinovirus, as well as newly emerging global health threats such as EV-A71 and EV-D68. Here, we describe an unbiased, system-wide and time-resolved analysis of the proteome and phosphoproteome of human cells infected with coxsackievirus B3. Of the ~3,200 proteins quantified throughout the time course, a large amount (~25%) shows a significant change, with the majority being downregulated. We find ~85% of the detected phosphosites to be significantly regulated, implying that most changes occur at the post-translational level. Kinase-motif analysis reveals temporal activation patterns of certain protein kinases, with several CDKs/MAPKs immediately active upon the infection, and basophilic kinases, ATM, and ATR engaging later. Through bioinformatics analysis and dedicated experiments, we identify mTORC1 signalling as a major regulation network during enterovirus infection. We demonstrate that inhibition of mTORC1 activates TFEB, which increases expression of lysosomal and autophagosomal genes, and that TFEB activation facilitates the release of virions in extracellular vesicles via secretory autophagy. Our study provides a rich framework for a system-level understanding of enterovirus-induced perturbations at the protein and signalling pathway levels, forming a base for the development of pharmacological inhibitors to treat enterovirus infections.
Fast and multiplexed superresolution imaging with DNA-PAINT-ERS
Authors: Civitci Fehmi , Shangguan Julia , Zheng Ting , Tao Kai , Rames Matthew , Kenison John , Zhang Ying , Wu Lei , Phelps Carey , Esener Sadik , Nan Xiaolin
Published: August 2020

DNA points accumulation for imaging in nanoscale topography (DNA-PAINT) facilitates multiplexing in superresolution microscopy but is practically limited by slow imaging speed. To address this issue, we propose the additions of ethylene carbonate (EC) to the imaging buffer, sequence repeats to the docking strand, and a spacer between the docking strand and the affinity agent. Collectively termed DNA-PAINT-ERS (E = EC, R = Repeating sequence, and S = Spacer), these strategies can be easily integrated into current DNA-PAINT workflows for both accelerated imaging speed and improved image quality through optimized DNA hybridization kinetics and efficiency. We demonstrate the general applicability of DNA-PAINT-ERS for fast, multiplexed superresolution imaging using previously validated oligonucleotide constructs with slight modifications.
Dual-mode solid-state thermal rectification
Authors: Shrestha Ramesh , Luan Yuxuan , Luo Xiao , Shin Sunmi , Zhang Teng , Smith Phil , Gong Wei , Bockstaller Michael , Luo Tengfei , Chen Renkun , Hippalgaonkar Kedar , Shen Sheng
Published: August 2020

Thermal rectification is an exotic thermal transport phenomenon which allows heat to transfer in one direction but block the other. We demonstrate an unusual dual-mode solid-state thermal rectification effect using a heterogeneous “irradiated-pristine” polyethylene nanofiber junction as a nanoscale thermal diode, in which heat flow can be rectified in both directions by changing the working temperature. For the nanofiber samples measured here, we observe a maximum thermal rectification factor as large as ~50%, which only requires a small temperature bias of <10 K. The tunable nanoscale thermal diodes with large rectification and narrow temperature bias open up new possibilities for developing advanced thermal management, energy conversion and, potentially thermophononic technologies.
X-ray radiation excited ultralong (>20,000 seconds) intrinsic phosphorescence in aluminum nitride single-crystal scintillators
Authors: Lin Richeng , Zheng Wei , Chen Liang , Zhu Yanming , Xu MengXuan , Ouyang Xiaoping , Huang Feng
Published: August 2020

Phosphorescence is a fascinating photoelectronic phenomenon usually observed in rare-earth-doped inorganic crystals and organic molecular crystals, owning great potential in optical information storage, color display and biological dosimetry. Here, we present an ultralong intrinsic phosphorescence (>20,000 seconds) in AlN single-crystal scintillator through X-ray excitation. We suggest that the long afterglow emission originates from the intra-band transition related to native nitrogen vacancy. Some excited states formed by absorbing X-ray photons cannot satisfy the parity difference between initial and final states required by transition selection rule, so they cannot return to the ground state directly through radiation transitions but through several phonon-assisted intra-band transitions slowly. During this process, a long-term broad-spectra phosphorescence emission is formed. Investigating the X-ray excited phosphorescence emission in the AlN is of great significance to understanding the mechanism of phosphorescence in inorganic materials, and to realizing the practical applications in high-energy ray dosimetry.
Incorporating hydrology into climate suitability models changes projections of malaria transmission in Africa
Authors: Smith M. W. , Willis T. , Alfieri L. , James W. H. M. , Trigg M. A. , Yamazaki D. , Hardy A. J. , Bisselink B. , De Roo A. , Macklin M. G. , Thomas C. J.
Published: August 2020

Continental-scale models of malaria climate suitability typically couple well-established temperature-response models with basic estimates of vector habitat availability using rainfall as a proxy. Here we show that across continental Africa, the estimated geographic range of climatic suitability for malaria transmission is more sensitive to the precipitation threshold than the thermal response curve applied. To address this problem we use downscaled daily climate predictions from seven GCMs to run a continental-scale hydrological model for a process-based representation of mosquito breeding habitat availability. A more complex pattern of malaria suitability emerges as water is routed through drainage networks and river corridors serve as year-round transmission foci. The estimated hydro-climatically suitable area for stable malaria transmission is smaller than previous models suggest and shows only a very small increase in state-of-the-art future climate scenarios. However, bigger geographical shifts are observed than with most rainfall threshold models and the pattern of that shift is very different when using a hydrological model to estimate surface water availability for vector breeding.
Author Correction: Large-scale mass wasting in the western Indian Ocean constrains onset of East African rifting
Authors: Maselli Vittorio , Iacopini David , Ebinger Cynthia J. , Tewari Sugandha , de Haas Henk , Wade Bridget S. , Pearson Paul N. , Francis Malcolm , van Vliet Arjan , Richards Bill , Kroon Dick
Published: August 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Mitigating the risk of cytokine release syndrome in a Phase I trial of CD20/CD3 bispecific antibody mosunetuzumab in NHL: impact of translational system modeling
Authors: Hosseini Iraj , Gadkar Kapil , Stefanich Eric , Li Chi-Chung , Sun Liping L. , Chu Yu-Waye , Ramanujan Saroja
Published: August 2020

Mosunetuzumab, a T-cell dependent bispecific antibody that binds CD3 and CD20 to drive T-cell mediated B-cell killing, is currently being tested in non-Hodgkin lymphoma. However, potent immune stimulation with T-cell directed therapies poses the risk of cytokine release syndrome, potentially limiting dose and utility. To understand mechanisms behind safety and efficacy and explore safety mitigation strategies, we developed a novel mechanistic model of immune and antitumor responses to the T-cell bispecifics (mosunetuzumab and blinatumomab), including the dynamics of B- and T-lymphocytes in circulation, lymphoid tissues, and tumor. The model was developed and validated using mosunetuzumab nonclinical and blinatumomab clinical data. Simulations delineated mechanisms contributing to observed cell and cytokine (IL6) dynamics and predicted that initial step-fractionated dosing limits systemic T-cell activation and cytokine release without compromising tumor response. These results supported a change to a step-fractionated treatment schedule of mosunetuzumab in the ongoing Phase I clinical trial, enabling safer administration of higher doses.
A relational database to identify differentially expressed genes in the endometrium and endometriosis lesions
Authors: Gabriel Michael , Fey Vidal , Heinosalo Taija , Adhikari Prem , Rytkönen Kalle , Komulainen Tuomo , Huhtinen Kaisa , Laajala Teemu Daniel , Siitari Harri , Virkki Arho , Suvitie Pia , Kujari Harry , Aittokallio Tero , Perheentupa Antti , Poutanen Matti
Published: August 2020

Endometriosis is a common inflammatory estrogen-dependent gynecological disorder, associated with pelvic pain and reduced fertility in women. Several aspects of this disorder and its cellular and molecular etiology remain unresolved. We have analyzed the global gene expression patterns in the endometrium, peritoneum and in endometriosis lesions of endometriosis patients and in the endometrium and peritoneum of healthy women. In this report, we present the EndometDB, an interactive web-based user interface for browsing the gene expression database of collected samples without the need for computational skills. The EndometDB incorporates the expression data from 115 patients and 53 controls, with over 24000 genes and clinical features, such as their age, disease stages, hormonal medication, menstrual cycle phase, and the different endometriosis lesion types. Using the web-tool, the end-user can easily generate various plot outputs and projections, including boxplots, and heatmaps and the generated outputs can be downloaded in pdf-format.

Availability and implementationThe web-based user interface is implemented using HTML5, JavaScript, CSS, Plotly and R. It is freely available from https://endometdb.utu.fi/.
Uncovering a high-performance bio-mimetic cellular structure from trabecular bone
Authors: Ghazlan Abdallah , Ngo Tuan , Nguyen Tuan , Linforth Steven , Van Le Tu
Published: August 2020

The complex cellular structure of trabecular bone possesses lightweight and superior energy absorption capabilities. By mimicking this novel high-performance structure, engineered cellular structures can be advanced into a new generation of protective systems. The goal of this research is to develop an analytical framework for predicting the critical buckling load, Young’s modulus and energy absorption of a 3D printed bone-like cellular structure. This is achieved by conducting extensive analytical simulations of the bone-inspired unit cell in parallel to traverse every possible combination of its key design parameters. The analytical framework is validated using experimental data and used to evolve the most optimal cellular structure, with the maximum energy absorption as the key performance criterion. The design charts developed in this work can be used to guide the development of a futuristic engineered cellular structure with superior performance and protective capabilities against extreme loads.
Knowledge and social relatedness shape research portfolio diversification
Authors: Tripodi Giorgio , Chiaromonte Francesca , Lillo Fabrizio
Published: August 2020

Scientific discovery is shaped by scientists’ choices and thus by their career patterns. The increasing knowledge required to work at the frontier of science makes it harder for an individual to embark on unexplored paths. Yet collaborations can reduce learning costs—albeit at the expense of increased coordination costs. In this article, we use data on the publication histories of a very large sample of physicists to measure the effects of knowledge and social relatedness on their diversification strategies. Using bipartite networks, we compute a measure of topic similarity and a measure of social proximity. We find that scientists’ strategies are not random, and that they are significantly affected by both. Knowledge relatedness across topics explains $$\approx 10\%$$

≈
10
%

of logistic regression deviances and social relatedness as much as $$\approx 30\%$$

≈
30
%

, suggesting that science is an eminently social enterprise: when scientists move out of their core specialization, they do so through collaborations. Interestingly, we also find a significant negative interaction between knowledge and social relatedness, suggesting that the farther scientists move from their specialization, the more they rely on collaborations. Our results provide a starting point for broader quantitative analyses of scientific diversification strategies, which could also be extended to the domain of technological innovation—offering insights from a comparative and policy perspective.
High-precision speckle-tracking X-ray imaging with adaptive subset size choices
Authors: Tian Naxi , Jiang Hui , Li Aiguo , Liang Dongxu , Yu Fucheng
Published: August 2020

Speckle-tracking imaging has the advantages of simple setup and high-sensitivity to slowly varying phase gradients. Subset size choice is regarded as a trade-off problem for speckle-tracking X-ray imaging where one needs to balance the spatial resolution and accuracy, where the subset was defined as the region of interest of windowing choice for digital image correlation algorithm. An adaptive subset size choice method based on a Fourier transform for effectively detecting sample phase information without foreknowledge of the sample structure is presented in this study. The speckle-tracking phase-contrast and the form of dark-field imaging based on this method have the advantages of (i) high resolution and time saving compared to large subset choice and (ii) partially improvement the influence from experimental noises, background fluctuations, and false signals compared to small subset choice at the same time. This method has proven to be particularly robust in the experimental condition of poor signal-to-noise ratio. The proposed method may be expanded to all speckle-based imaging methods and other imaging techniques based on the subset or window matching.
Optimized protocol for twin-field quantum key distribution
Authors: Wang Rong , Yin Zhen-Qiang , Lu Feng-Yu , Wang Shuang , Chen Wei , Zhang Chun-Mei , Huang Wei , Xu Bing-Jie , Guo Guang-Can , Han Zheng-Fu
Published: August 2020

Twin-field quantum key distribution (TF-QKD) and its variant protocols are highly attractive due to the advantage of overcoming the rate-loss limit for secret key rates of point-to-point QKD protocols. For variations of TF-QKD, the key point to ensure security is switching randomly between a code mode and a test mode. Among all TF-QKD protocols, their code modes are very different, e.g. modulating continuous phases, modulating only two opposite phases, and sending or not sending signal pulses. Here we show that, by discretizing the number of global phases in the code mode, we can give a unified view on the first two types of TF-QKD protocols, and demonstrate that increasing the number of discrete phases extends the achievable distance, and as a trade-off, lowers the secret key rate at short distances due to the phase post-selection.
Application of a thermo-sensitive imprinted SERS substrate to the rapid trace detection of ofloxacin
Authors: Jiang Caiyun , Wu Ting , Liu Jiaxun , Wang Yuping
Published: August 2020

The hydrogels combine Raman enhancement of AgNPs, the selectivity of molecularly imprinted materials and the intelligent response of thermo-sensitive hydrogels.
Electrochemically shape-controlled synthesis of great stellated dodecahedral Au nanocrystals with high-index facets for nitrogen reduction to ammonia
Authors: Jiang Yu-Chen , Mao Yu-Jie , Zou Jin , Wang Hong-Hui , Liu Feng , Wei Yong-Sheng , Sheng Tian , Zhao Xin-Sheng , Wei Lu
Published: August 2020

High-index {331} faceted Au great stellated dodecahedra are synthesized by a double-step potential method in an ageing HAuCl4/DES solution, which exhibit excellent electrocatalytic activity for the nitrogen reduction reaction.
Ultra-small Ni(HCO3)2 as a water dissociation promoter boosting the alkaline hydrogen electrocatalysis performance of MoS2
Authors: Zhang Nan , Gao Ying , Wang Chunru , Zhao Feng , Duan Zhiyao , Liu Jian , Yu Ying
Published: August 2020

Ni(HCO3)2 has been firstly demonstrated to be efficient promoter of MoS2-based catalyst for hydrogen generation in alkaline through both experimental and DFT calculation results.
Significance of thermodynamic interaction parameters in guiding the optimization of polymer:nonfullerene solar cells
Authors: Gao Mengyuan , Liang Ziqi , Geng Yanhou , Ye Long
Published: August 2020

Recent advances in analysing the morphology of nonfullerene polymer solar cells are discussed with an effective thermodynamic interaction parameter.
Rotational dynamics of the imidazolium ion in cyanide-bridged dielectric framework materials
Authors: Phillips Anthony E. , Cai Guanqun , Demmel Franz
Published: August 2020

Quasielastic neutron scattering reveals the geometry and timescale of the dielectric switching dynamics in a series of elpasolite-like framework materials.
Relating surface defect energetics with reactant gas adsorption during the photo-catalytic reduction of CO2 by partially hydrolyzed In2O3 nanorods
Authors: Loh Joel Y. Y. , Kherani Nazir P.
Published: August 2020

Photo-Induced Transient Current Spectroscopy (PICTS) can investigate defect state energies and densities in photo-active materials. Changes in defect energy spectrum are caused by gas reactant surface chemisorption and reactant interaction with existing defects.
The InSe/SiH type-II van der Waals heterostructure as a promising water splitting photocatalyst: a first-principles study
Authors: Sheng Wei , Xu Ying , Liu Mingwei , Nie Guozheng , Wang Junnian , Gong Shijing
Published: August 2020

The type-II band alignment promotes InSe/SiH as a high efficiency photocatalyst for water splitting in visible light.
Photocatalyzed allylic derivatization reactions
Authors: Hünemörder Paul , Mejía Esteban
Published: August 2020

Catalytic allylation reactions are important methodologies to produce fine chemicals and synthetic building blocks. This review discloses state-of-the-art photocatalyzed allylation methodologies, their reaction mechanisms, and synthetic applications.
A green route to polyurethanes: oxidative carbonylation of industrially relevant aromatic diamines by CO2-based methyl formate
Authors: Hussong Christine , Langanke Jens , Leitner Walter
Published: August 2020

Toluene-2,4-diamine, 4,4′-methylenedianiline and 2,4-diaminomesitylene were converted directly into the corresponding dicarbamatesviathe CO2-based intermediate methyl formate (MF) which can be regarded as a liquid source for CO/MeOH mixtures.
Supercritical CO2-induced alteration of a polymer–metal matrix and selective extraction of valuable metals from waste printed circuit boards
Authors: Peng Peng , Park Ah-Hyung Alissa
Published: August 2020

Supercritical CO2-induced treatment of heterogeneous waste printed circuit boards resulted in selective recoveries of Au, Ni and Cu.
An exploration of the solvent- and acid-catalyzed mutarotation mechanisms of lactose in aqueous solution
Authors: Chen Zeqin , Wu Tunyan , Yang Xue , Yue Fen , Fu Fengping
Published: August 2020

Exploration of the solvent- and acid-catalyzed mutarotation mechanisms of lactose to reveal the ease of the mutarotation varying with the acidity of the catalyst.
Transport of nanoprobes in multicellular spheroids
Authors: Pilz Marta , Kwapiszewska Karina , Kalwarczyk Tomasz , Bubak Grzegorz , Nowis Dominika , Hołyst Robert
Published: August 2020

We present the study of the nanoprobes' diffusion in the extracellular matrix (ECM) of multicellular spheroids.
A novel concept of two-component dielectric function for gold nanostars: theoretical modelling and experimental verification
Authors: Khlebtsov Nikolai G. , Zarkov Sergey V. , Khanadeev Vitaly A. , Avetisyan Yuri A.
Published: August 2020

We have introduced a new two-component dielectric function for modelling of gold nanostars.
Strain gradient induced spatially indirect excitons in single crystalline ZnO nanowires
Authors: Liu Zhao , Fu Xuewen , Zhang Dong-Bo
Published: August 2020

In bent ZnO nanowires, strain gradient induces an effective type-II band alignment which indicates the possible existence of spatially indirect excitons.
Cancer–leukocyte hybrid membrane-cloaked magnetic beads for the ultrasensitive isolation, purification, and non-destructive release of circulating tumor cells
Authors: Chang Zhi-min , Zhang Rui , Yang Chao , Shao Dan , Tang Yuguo , Dong Wen-fei , Wang Zheng
Published: August 2020

Most of the current circulating tumor cell (CTC) isolation techniques are based on immunomagnetic beads with antibodies or aptamers that specifically target epithelial cell adhesion molecules (EpCAMs).
Fine tuning of ferromagnet/antiferromagnet interface magnetic anisotropy for field-free switching of antiferromagnetic spins
Authors: Ślęzak M. , Dróżdż P. , Janus W. , Nayyef H. , Kozioł-Rachwał A. , Szpytma M. , Zając M. , Menteş T. O. , Genuzio F. , Locatelli A. , Ślęzak T.
Published: August 2020

We show that in a uniform thickness NiO(111)/Fe(110) epitaxial bilayer system, at given temperature near 300 K, two magnetic states with orthogonal spin orientations can be stabilized in antiferromagnetic NiO.
Spectroscopy and scattering for chemistry: new possibilities and challenges with large scale facilities
Authors: Jensen Kirsten M. Ø. , DeBeer Serena , Koziej Dorota
Published: August 2020

Kirsten M. Ø. Jensen, Dorota Koziej and Serena DeBeer introduce the Nanoscale themed issue on spectroscopy and scattering for chemistry: new possibilities and challenges with large scale facilities.
Understanding structure–property relationships of main chain cyclopropane in linear polyesters
Authors: Stubbs Connor J. , Dove Andrew P.
Published: August 2020

Rigid ring structures have gained increasing interest in the polymer materials community as an effective means to manipulate bulk properties. Here, we investigate structure–property relationships of the smallest ring: cyclopropane.
Synthesis of polycyclic aromatic hydrocarbons by palladium-catalysed [3 + 3] annulation
Authors: Pigulski Bartłomiej , Ximenis Marta , Shoyama Kazutaka , Würthner Frank
Published: August 2020

A new [3 + 3] annulation method for the synthesis of polycyclic aromatic hydrocarbons (PAHs) from two smaller aromatic fragments is reported. Packing structures for four products were obtained and relation to that of parent perylene was discussed.
Activated carbon and palm oil fuel ash as microwave absorbers for microwave-assisted pyrolysis of oil palm shell waste
Authors: Chuayjumnong Sunisa , Karrila Seppo , Jumrat Saysunee , Pianroj Yutthapong
Published: August 2020

In this study, the effects of two microwave absorbers (MWAb) or catalysts, namely activated carbon (AC) and palm oil fuel ash (POFA), were investigated in microwave pyrolysis of oil palm shell (OPS).
Highly transparent and flexible Ag nanowire-embedded silk fibroin electrodes for biocompatible flexible and transparent heater
Authors: Park Jin-Hyeok , Seok Hae-Jun , Kamaraj Eswaran , Park Sanghyuk , Kim Han-Ki
Published: August 2020

We demonstrated the characteristics of a transparent, flexible silver nanowire-embedded silk fibroin substrate that can be used as a flexible and biocompatible electrode for wearable electronics.
Self-assembled amphiphilic fluorescent probe: detecting pH-fluctuations within cancer cells and tumour tissues
Authors: Kim Soo Yeon , Podder Arup , Lee Hyunseung , Cho Youn-Joo , Han Eun Hee , Khatun Sabina , Sessler Jonathan L. , Hong Kwan Soo , Bhuniya Sankarprasad
Published: August 2020

A self-assembled amphiphilic fluorescent probe allows pH-fluctuations within cancer cells and tumour tissues to be readily detected.
Trade-off between oxygen reduction reaction activity and CO2stability in a cation doped Ba0.9Co0.7Fe0.3O3−δperovskite cathode for solid oxide fuel cells
Authors: Lu Yi , Zhao Xinyu , Wang Zhihong , Ding Xifeng
Published: August 2020

Highly electrochemical performance and CO2durability are two challenges for exploring cathodes in SOFCs. A new type of Ba0.9Co0.7Fe0.2M0.1O3−δ(M = Zr, Nb, Y) perovskites as promising cathode for IT-SOFCs has been developed with cations doping.
Integrating conductivity and active sites: Fe/Fe3C@GNC as an trapping-catalyst interlayer and dendrite-free lithium host for the lithium–sulfur cell with outstanding rate performance
Authors: Zhang Mi , Guo Yi , Wei Yunhong , Wang Boya , Zhang Yin , Wu Hao , Zhou Xiangge , Zhang Yun , Wang Qian
Published: August 2020

A Fe/Fe3C nanoparticle-embedded graphitic N-doped carbon matrix was developed as a multifunctional interlayer and lithium host with outstanding performance.
Phosphorus-triggered modification of the electronic structure and surface properties of Pd4S nanowires for robust hydrogen evolution electrocatalysis
Authors: Xu You , Ren Kaili , Ren Tianlun , Wang Mingzhen , Yu Shanshan , Wang Ziqiang , Li Xiaonian , Wang Liang , Wang Hongjing
Published: August 2020

Phosphorus-doped Pd4S nanowires were fabricated by treating pre-synthesized Pd nanowires with triphenylphosphine sulphide and demonstrated improved electrocatalytic hydrogen evolution.
A multifunctional additive of scandium trifluoromethanesulfonate to achieve efficient inverted perovskite solar cells with a high fill factor of 83.80%
Authors: Li Shufang , Zhu Linna , Kan Zhipeng , Hua Yong , Wu Fei
Published: August 2020

A multifunctional additive of scandium trifluoromethanesulfonate is introduced into a perovskite film to achieve efficient inverted perovskite solar cells with a high fill factor of 83.80%.
Broad-band lead halide perovskite quantum dot single-mode lasers
Authors: Zhou Chun , Yu Jie , Dong Hongxing , Yuan Fanglong , Zheng Xiaopeng , Jiang Mingming , Zhang Long
Published: August 2020

We obtained broad-band CQD single-mode lasers across the entire visible region through combining CQDs with a microcavity.
Reproducibility of tissue autofluorescence for screening potentially malignant disorders
Authors: Fricain Jean-Christophe , Fenelon Mathilde , Baschet Louise , Catros Sylvain , Glock Nicolas , Lerici Sébastien , Gaston Rémi , Perez Paul , Doussau Adélaide
Published: August 2020

Introduction: Direct tissue autofluorescence (AF) visualization devices such as VELscope® are gaining interest to improve early detection of oral potentially malignant disorders (OPMD) and cancers. The main objective of this study was to assess inter-observer reproducibility of incandescent light (IL) and AF observations for OPMD and cancer. Materials and methods: High risk patients (exposed to alcohol or tobacco) were screened by two independent operators with a conventional oral examination (IL) followed by AF examination. The primary endpoint was the inter-observer agreement on the decision to biopsy assessed by kappa coefficients.Accuracy of IL and AF were estimated by the relative true positive rate (RTPR, increase of sensitivity), relative false positive rate (RFPR, loss of specificity) and their ratio. Results: 179 patients were included. 833 lesions were identified after IL and AF. Indication for biopsy was retrieved for 41 patients (61 lesions). Inter-observer agreement on the indications for biopsy was 93.3% after IL (Kappa coefficient 0.88 [0.80, 0.97]) and 96.1% after IL and AF (Kappa coefficient 0.78 [0.66, 0.90]). RTPR was 1.2, RFPR was 1 and their ratio was 1.2. Conclusion: IL and AF examination has shown good inter-observer reproducibility. Adjunction of AF allowed diagnosing more leukoplakia without dysplasia.
Use of n-Butyl 2 Cyanoacrylate without Lipiodol, Using a Modified Protocol in Gastric Variceal Bleed Management: Retrospective Analysis of 2299 Patients
Authors: Desai Pankaj N. , Patel Chintan N. , Kabrawala Mayank V. , Mehta Rajiv M. , Nandwani Subhash K. , Prajapati Ritesh , Patel Nisharg , Parekh Krishna K.
Published: August 2020

Aim To assess the feasibility and amount of cyanoacrylate glue that can be injected safely per session, complications, and long-term results in GOV1, GOV2 and IGV1 varices, using a modified method.

Method All patients from October 2008 to December 2019 presenting to us with variceal bleeding were included. We injected 0.5 mL of cyanoacrylate glue followed by 1.5 mL to 3 mL distilled water in all GOV 1, GOV 2 and IGV varices. Number of glues used were not restricted. Esophageal variceal ligation (EVL) was done for esophageal varices. Follow-up was done at 4 weeks and 3 to 6 months and analyzed.

Results 2299 patients received therapy. Male:female, 69%:31%. Causes of varices–cirrhosis (84.9%) and extrahepatic portal vein obstruction (EHPVO) (15.1%). Causes of cirrhosis–alcohol (38.4%), nonalcoholic fatty liver disease (NAFLD) (29%), hepatitis B (19.9%), hepatitis C (10.1%), Wilson’s disease (1.8%), and autoimmune diseases (0.9%). As much as 41.1% had blood in stomach and 10.2% had active spurt on index endoscopy. As much as 14.5% required endotracheal intubation (active bleed [53.1%], encephalopathy [40.5%], respiratory distress [6.6%]). As much as 30.9% had GOV1 + GOV2, 1.5% had GOV2 + IGV1, 21.3% had GOV1 + IGV1 and 16.4% had GOV1 + GOV2 + IGV1. Hemostasis could be achieved in 99.2% on index endoscopy. A total of 18 (0.8%) patients had uncontrolled bleed of whom 10 (55.6%) had hepatocellular carcinoma. Ongoing bleed was treated with transjugular intrahepatic portosystemic shunt (TIPSS) (61.1%) and endoscopic ultrasound (EUS)-guided coiling (38.8%). Amount of glue required for gastric variceal obturation was 3.6 on index endoscopy, 1.6 on follow-up at 4 to 6 weeks, and 1.2 at 3 months follow up. Glue extrusion with ulcers were seen in 6.4% at 4 to 6 weeks and 4.3% at 3 months. Rebleed occurred in 2.1% and 0.7% patients before 4 weeks and 3 months follow-up, respectively. As much as 1.3% and 1.2% patients were lost to follow-up before 4 weeks and 3 months follow-up sessions, respectively. Complications include pulmonary aspiration in 0.9% and bleeding from ulcers 2.8%. No evidence of pulmonary embolism was seen. In two endoscopic procedures, glue splashing into operator’s eyes occurred. Incidents of needle getting stuck in the varix occurred in three patients.

Conclusions Our modified protocol for glue in gastric varices is safe and feasible, as it has less rebleed, no pulmonary embolism and less ulcers with glue extrusion as compared with available literature.
Correction: In the race for knowledge, is human capital the most essential element?
Authors: Sinay Laura , Carter Rodney William , de Sinay Maria Cristina Fogliatti
Published: August 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Improved rectification and transport properties of hybrid PEDOT:PSS/Ge/Si heterojunctions with Ge nanoclusters
Authors: Kondratenko S. V. , Lysenko V. S. , Gomeniuk Yu. V. , Kondratenko O. S. , Kozyrev Yu. N. , Selyshchev O. V. , Dzhagan V. M. , Zahn D. R. T.
Published: August 2020

The electrical characteristics and deep-level transient spectroscopy of a hybrid poly(3,4-ethylene dioxythiophene):poly(styrenesulfonate) (PEDOT:PSS)/GeNCs/Si heterojunction with Ge nanoclusters grown by molecular beam epitaxy on a p-type Si(001) substrate are investigated. The heterostructure shows good rectifying J–V characteristics, the dark current exhibits an activation energies of 280 meV and 550 meV, while the reverse bias leakage current is suppressed due to the coating of Ge nanoclusters with PEDOT:PSS. We show that recombination via deep hole states close to grain boundaries can be partly suppressed by the PEDOT:PSS thin films, leading to a decrease in the saturation current and an improvement of the rectification without deterioration of forward current.
A chemical dynamics study on the gas phase formation of thioformaldehyde (H2CS) and its thiohydroxycarbene isomer (HCSH)
Authors: Doddipatla Srinivas , He Chao , Kaiser Ralf I. , Luo Yuheng , Sun Rui , Galimova Galiya R. , Mebel Alexander M. , Millar Tom J.
Published: August 2020

Significance

Since the detection of carbonyl monosulfide (CS) in star-forming regions, about 200 molecules as complex as fullerenes have been detected in interstellar and circumstellar environments, but the formation routes to organosulfur molecules have remained essentially elusive. Exploiting thioformaldehyde (H2CS) and its thiohydroxycarbene isomer (HCSH), we deliver compelling testimony via laboratory experiments, electronic-structure theory, astrochemical modeling, and quasi-classical trajectory studies that these organosulfur species can be efficiently formed in star-forming regions such as Sagittarius B2 through bimolecular reactions involving hydrogen sulfide and methylidyne radicals. These elementary mechanisms are of fundamental importance to aid our understanding of how carbon and sulfur chemistries are connected in deep space, thus expanding our view on the sulfur cycle in the Galaxy.
Modulational instability and soliton control in a cubic–quintic dissipative Gross–Pitaevskii equation with distributed coefficients*
Authors: Kengne Emmanuel , Liu WuMing
Published: August 2020

In this work, we consider the generalized cubic–quintic dissipative Gross–Pitaevskii equation, which governs the dynamics of matter wave solitons in Bose–Einstein condensates with two- and three-body interatomic interactions in a spatiotemporal-dependent dissipative potential consisting of parabolic, linear, and complex terms. By using the ansatz method, the modulational instability and gray, kink, and bright soliton solutions are presented under certain parametric conditions. We found that the complex potential, related to the feeding or the loss of atoms by the condensates seriously modifies the instability and stability domain, while the linear potential has not effect on the stability of the system. With the use of exact analytical soliton-like solutions, we investigate analytically the solitons control system, and the results show that the soliton control system may relax the limitations to parametric conditions. We found that the motion of matter wave solitons in the systems can be manipulated by controlling both the external harmonic and linear trapping potentials. We have established that the amplitude of the matter wave solitons keep no change in propagating in the system though the total number of the condensate atoms decreases (increases) when the condensate losses (gains) atoms. We also showed that the three-body interatomic interactions is responsible of the soliton compression. Our results also revealed that the found exact soliton-like solutions can be used to describe the compression of matter wave solitons in BEC system with loss of atoms.
Bandwidth limit and synthesis approach for single resonance ultrathin metasurfaces
Authors: Fathnan Ashif A , Olk Andreas E , Powell David A
Published: August 2020

Metasurfaces have emerged as a promising technology for the manipulation of electromagnetic waves within a thin layer. In planar ultrathin metasurfaces, there exist rigorous design methods, based on the equivalent surface impedance of patterned metallic layers on dielectric substrates. In this work, we derive a limit on bandwidth achievable in these metasurfaces, based on constraints that their meta-atoms should be passive, causal and lossless and that they should obey the time-bandwidth product rules of a single resonance structure. The results show that in addition to elementary design parameters involving variation of the surface impedance, the bandwidth is critically limited by the dielectric substrate thickness and permittivity. We then propose a synthesis method for broadband ultrathin metasurfaces, based on an LC resonance fit of the required surface impedance and experimentally verify a broadband dispersive structure at millimeter-wave frequencies. This results in a bandwidth enhancement of over 90%, relative to a reference metasurface created with the narrowband design process.