bluuebunny/crossref_metadata_2025 huggingface dataset:
Carbon clusters formed from shocked benzene
Authors: Dattelbaum D. M. , Watkins E. B. , Firestone M. A. , Huber R. C. , Gustavsen R. L. , Ringstrand B. S. , Coe J. D. , Podlesak D. , Gleason A. E. , Lee H. J. , Galtier E. , Sandberg R. L.
Published: September 2021

Benzene (C6H6), while stable under ambient conditions, can become chemically reactive at high pressures and temperatures, such as under shock loading conditions. Here, we report in situ x-ray diffraction and small angle x-ray scattering measurements of liquid benzene shocked to 55 GPa, capturing the morphology and crystalline structure of the shock-driven reaction products at nanosecond timescales. The shock-driven chemical reactions in benzene observed using coherent XFEL x-rays were a complex mixture of products composed of carbon and hydrocarbon allotropes. In contrast to the conventional description of diamond, methane and hydrogen formation, our present results indicate that benzene’s shock-driven reaction products consist of layered sheet-like hydrocarbon structures and nanosized carbon clusters with mixed sp2-sp3 hybridized bonding. Implications of these findings range from guiding shock synthesis of novel compounds to the fundamentals of carbon transport in planetary physics.
Structure of the human marker of self 5-transmembrane receptor CD47
Authors: Fenalti Gustavo , Villanueva Nicolas , Griffith Mark , Pagarigan Barbra , Lakkaraju Sirish Kaushik , Huang Richard Y.-C. , Ladygina Nadia , Sharma Alok , Mikolon David , Abbasian Mahan , Johnson Jeffrey , Hadjivassiliou Haralambos , Zhu Dan , Chamberlain Philip P. , Cho Ho , Hariharan Kandasamy
Published: September 2021

CD47 is the only 5-transmembrane (5-TM) spanning receptor of the immune system. Its extracellular domain (ECD) is a cell surface marker of self that binds SIRPα and inhibits macrophage phagocytosis, and cancer immuno-therapy approaches in clinical trials are focused on blocking CD47/SIRPα interaction. We present the crystal structure of full length CD47 bound to the function-blocking antibody B6H12. CD47 ECD is tethered to the TM domain via a six-residue peptide linker (114RVVSWF119) that forms an extended loop (SWF loop), with the fundamental role of inserting the side chains of W118 and F119 into the core of CD47 extracellular loop region (ECLR). Using hydrogen-deuterium exchange and molecular dynamics simulations we show that CD47’s ECLR architecture, comprised of two extracellular loops and the SWF loop, creates a molecular environment stabilizing the ECD for presentation on the cell surface. These findings provide insights into CD47 immune recognition, signaling and therapeutic intervention.
DEEP picker is a deep neural network for accurate deconvolution of complex two-dimensional NMR spectra
Authors: Li Da-Wei , Hansen Alexandar L. , Yuan Chunhua , Bruschweiler-Li Lei , Brüschweiler Rafael
Published: September 2021

The analysis of nuclear magnetic resonance (NMR) spectra for the comprehensive and unambiguous identification and characterization of peaks is a difficult, but critically important step in all NMR analyses of complex biological molecular systems. Here, we introduce DEEP Picker, a deep neural network (DNN)-based approach for peak picking and spectral deconvolution which semi-automates the analysis of two-dimensional NMR spectra. DEEP Picker includes 8 hidden convolutional layers and was trained on a large number of synthetic spectra of known composition with variable degrees of crowdedness. We show that our method is able to correctly identify overlapping peaks, including ones that are challenging for expert spectroscopists and existing computational methods alike. We demonstrate the utility of DEEP Picker on NMR spectra of folded and intrinsically disordered proteins as well as a complex metabolomics mixture, and show how it provides access to valuable NMR information. DEEP Picker should facilitate the semi-automation and standardization of protocols for better consistency and sharing of results within the scientific community.
Ultra-thin self-healing vitrimer coatings for durable hydrophobicity
Authors: Ma Jingcheng , Porath Laura E. , Haque Md Farhadul , Sett Soumyadip , Rabbi Kazi Fazle , Nam SungWoo , Miljkovic Nenad , Evans Christopher M.
Published: September 2021

Durable hydrophobic materials have attracted considerable interest in the last century. Currently, the most popular strategy to achieve hydrophobic coating durability is through the combination of a perfluoro-compound with a mechanically robust matrix to form a composite for coating protection. The matrix structure is typically large (thicker than 10 μm), difficult to scale to arbitrary materials, and incompatible with applications requiring nanoscale thickness such as heat transfer, water harvesting, and desalination. Here, we demonstrate durable hydrophobicity and superhydrophobicity with nanoscale-thick, perfluorinated compound-free polydimethylsiloxane vitrimers that are self-healing due to the exchange of network strands. The polydimethylsiloxane vitrimer thin film maintains excellent hydrophobicity and optical transparency after scratching, cutting, and indenting. We show that the polydimethylsiloxane vitrimer thin film can be deposited through scalable dip-coating on a variety of substrates. In contrast to previous work achieving thick durable hydrophobic coatings by passively stacking protective structures, this work presents a pathway to achieving ultra-thin (thinner than 100 nm) durable hydrophobic films.
Programmable receptors enable bacterial biosensors to detect pathological biomarkers in clinical samples
Authors: Chang Hung-Ju , Zúñiga Ana , Conejero Ismael , Voyvodic Peter L. , Gracy Jerome , Fajardo-Ruiz Elena , Cohen-Gonsaud Martin , Cambray Guillaume , Pageaux Georges-Philippe , Meszaros Magdalena , Meunier Lucy , Bonnet Jerome
Published: September 2021

Bacterial biosensors, or bactosensors, are promising agents for medical and environmental diagnostics. However, the lack of scalable frameworks to systematically program ligand detection limits their applications. Here we show how novel, clinically relevant sensing modalities can be introduced into bactosensors in a modular fashion. To do so, we have leveraged a synthetic receptor platform, termed EMeRALD (Engineered Modularized Receptors Activated via Ligand-induced Dimerization) which supports the modular assembly of sensing modules onto a high-performance, generic signaling scaffold controlling gene expression in E. coli. We apply EMeRALD to detect bile salts, a biomarker of liver dysfunction, by repurposing sensing modules from enteropathogenic Vibrio species. We improve the sensitivity and lower the limit-of-detection of the sensing module by directed evolution. We then engineer a colorimetric bactosensor detecting pathological bile salt levels in serum from patients having undergone liver transplant, providing an output detectable by the naked-eye. The EMeRALD technology enables functional exploration of natural sensing modules and rapid engineering of synthetic receptors for diagnostics, environmental monitoring, and control of therapeutic microbes.
Reconstitution defines the roles of p62, NBR1 and TAX1BP1 in ubiquitin condensate formation and autophagy initiation
Authors: Turco Eleonora , Savova Adriana , Gere Flora , Ferrari Luca , Romanov Julia , Schuschnig Martina , Martens Sascha
Published: September 2021

The autophagic degradation of misfolded and ubiquitinated proteins is important for cellular homeostasis. In this process, which is governed by cargo receptors, ubiquitinated proteins are condensed into larger structures and subsequently become targets for the autophagy machinery. Here we employ in vitro reconstitution and cell biology to define the roles of the human cargo receptors p62/SQSTM1, NBR1 and TAX1BP1 in the selective autophagy of ubiquitinated substrates. We show that p62 is the major driver of ubiquitin condensate formation. NBR1 promotes condensate formation by equipping the p62-NBR1 heterooligomeric complex with a high-affinity UBA domain. Additionally, NBR1 recruits TAX1BP1 to the ubiquitin condensates formed by p62. While all three receptors interact with FIP200, TAX1BP1 is the main driver of FIP200 recruitment and thus the autophagic degradation of p62–ubiquitin condensates. In summary, our study defines the roles of all three receptors in the selective autophagy of ubiquitin condensates.
Artificial sodium-selective ionic device based on crown-ether crystals with subnanometer pores
Authors: Ye Tingyan , Hou Gaolei , Li Wen , Wang Chaofeng , Yi Kangyan , Liu Nannan , Liu Jian , Huang Shaoming , Gao Jun
Published: September 2021

Biological sodium channels ferry sodium ions across the lipid membrane while rejecting potassium ions and other metal ions. Realizing such ion selectivity in an artificial solid-state ionic device will enable new separation technologies but remains highly challenging. In this work, we report an artificial sodium-selective ionic device, built on synthesized porous crown-ether crystals which consist of densely packed 0.26-nm-wide pores. The Na+ selectivity of the artificial sodium-selective ionic device reached 15 against K + , which is comparable to the biological counterpart, 523 against Ca2 + , which is nearly two orders of magnitude higher than the biological one, and 1128 against Mg2 + . The selectivity may arise from the size effect and molecular recognition effect. This work may contribute to the understanding of the structure-performance relationship of ion selective nanopores.
Convergent evolution of a genomic rearrangement may explain cancer resistance in hystrico- and sciuromorpha rodents
Authors: Jain Yachna , Chandradoss Keerthivasan Raanin , A. V. Anjoom , Bhattacharya Jui , Lal Mohan , Bagadia Meenakshi , Singh Harpreet , Sandhu Kuljeet Singh
Published: September 2021

The rodents of hystricomorpha and sciuromorpha suborders exhibit remarkably lower incidence of cancer. The underlying genetic basis remains obscure. We report a convergent evolutionary split of human 3p21.31, a locus hosting a large number of tumour-suppressor genes (TSGs) and frequently deleted in several tumour types, in hystrico- and sciuromorphs. Analysis of 34 vertebrate genomes revealed that the synteny of 3p21.31 cluster is functionally and evolutionarily constrained in most placental mammals, but exhibit large genomic interruptions independently in hystricomorphs and sciuromorphs, owing to relaxation of underlying constraints. Hystrico- and sciuromorphs, therefore, escape from pro-tumorigenic co-deletion of several TSGs in cis. The split 3p21.31 sub-clusters gained proximity to proto-oncogene clusters from elsewhere, which might further nullify pro-tumorigenic impact of copy number variations due to co-deletion or co-amplification of genes with opposing effects. The split of 3p21.31 locus coincided with the accelerated rate of its gene expression and the body mass evolution of ancestral hystrico- and sciuromorphs. The genes near breakpoints were associated with the traits specific to hystrico- and sciuromorphs, implying adaptive significance. We conclude that the convergently evolved chromosomal interruptions of evolutionarily constrained 3p21.31 cluster might have impacted evolution of cancer resistance, body mass variation and ecological adaptations in hystrico- and sciuromorphs.
Social perception of young adults prolongs the lifespan of aged Drosophila
Authors: Cho Li-Chun , Yu Chih-Chieh , Kao Chih-Fei
Published: September 2021

Lifespan is modulated at distinct levels by multiple factors, including genetic backgrounds, the environment, behavior traits, metabolic status, and more interestingly, sensory perceptions. However, the effects of social perception between individuals living in the same space remain less clear. Here, we used the Drosophila model to study the influences of social perception on the lifespan of aged fruit flies. We found the lifespan of aged Drosophila is markedly prolonged after being co-housed with young adults of the same gender. Moreover, the changes of lifespan were affected by several experimental contexts: (1) the ratios of aged and young adults co-housed, (2) the chronological ages of two populations, and (3) the integrity of sensory modalities. Together, we hypothesize the chemical/physical stimuli derived from the interacting young adults are capable of interfering with the physiology and behavior of aged flies, ultimately leading to the alteration of lifespan.
Precision cooking for printed foods via multiwavelength lasers
Authors: Blutinger Jonathan David , Tsai Alissa , Storvick Erika , Seymour Gabriel , Liu Elise , Samarelli Noà , Karthik Shravan , Meijers Yorán , Lipson Hod
Published: September 2021

Additive manufacturing of food is a method of creating three-dimensional edible products layer-by-layer. While food printers have been in use since 2007, commercial cooking appliances to simultaneously cook and print food layers do not yet exist. A key challenge has been the spatially controlled delivery of cooking energy. Here, we explore precision laser cooking which offers precise temporal and spatial control over heat delivery and the ability to cook, broil, cut and otherwise transform food products via customized software-driven patterns, including through packaging. Using chicken as a model food, we combine the cooking capabilities of a blue laser (λ = 445 nm), a near-infrared (NIR) laser (λ = 980 nm), and a mid-infrared (MIR) laser (λ = 10.6 μm) to broil printed chicken and find that IR light browns more efficiently than blue light, NIR light can brown and cook foods through packaging, laser-cooked foods experience about 50% less cooking loss than foods broiled in an oven, and calculate the cooking resolution of a laser to be ~1 mm. Infusing software into the cooking process will enable more creative food design, allow individuals to more precisely customize their meals, disintermediate food supply chains, streamline at-home food production, and generate horizontal markets for this burgeoning industry.
RecA finds homologous DNA by reduced dimensionality search
Authors: Wiktor Jakub , Gynnå Arvid H. , Leroy Prune , Larsson Jimmy , Coceano Giovanna , Testa Ilaria , Elf Johan
Published: September 2021

Homologous recombination is essential for the accurate repair of double-stranded DNA breaks (DSBs)1. Initially, the RecBCD complex2 resects the ends of the DSB into 3′ single-stranded DNA on which a RecA filament assembles3. Next, the filament locates the homologous repair template on the sister chromosome4. Here we directly visualize the repair of DSBs in single cells, using high-throughput microfluidics and fluorescence microscopy. We find that, in Escherichia coli, repair of DSBs between segregated sister loci is completed in 15 ± 5 min (mean ± s.d.) with minimal fitness loss. We further show that the search takes less than 9 ± 3 min (mean ± s.d) and is mediated by a thin, highly dynamic RecA filament that stretches throughout the cell. We propose that the architecture of the RecA filament effectively reduces search dimensionality. This model predicts a search time that is consistent with our measurement and is corroborated by the observation that the search time does not depend on the length of the cell or the amount of DNA. Given the abundance of RecA homologues5, we believe this model to be widely conserved across living organisms.
Non-respiratory particles emitted by guinea pigs in airborne disease transmission experiments
Authors: Asadi Sima , Tupas Manilyn J. , Barre Ramya S. , Wexler Anthony S. , Bouvier Nicole M. , Ristenpart William D.
Published: September 2021

Animal models are often used to assess the airborne transmissibility of various pathogens, which are typically assumed to be carried by expiratory droplets emitted directly from the respiratory tract of the infected animal. We recently established that influenza virus is also transmissible via “aerosolized fomites,” micron-scale dust particulates released from virus-contaminated surfaces (Asadi et al. in Nat Commun 11(1):4062, 2020). Here we expand on this observation, by counting and characterizing the particles emitted from guinea pig cages using an Aerodynamic Particle Sizer (APS) and an Interferometric Mie Imaging (IMI) system. Of over 9000 airborne particles emitted from guinea pig cages and directly imaged with IMI, none had an interference pattern indicative of a liquid droplet. Separate measurements of the particle count using the APS indicate that particle concentrations spike upwards immediately following animal motion, then decay exponentially with a time constant commensurate with the air exchange rate in the cage. Taken together, the results presented here raise the possibility that a non-negligible fraction of airborne influenza transmission events between guinea pigs occurs via aerosolized fomites rather than respiratory droplets, though the relative frequencies of these two routes have yet to be definitively determined.
A plant host, Nicotiana benthamiana, enables the production and study of fungal lignin-degrading enzymes
Authors: Khlystov Nikita A. , Yoshikuni Yasuo , Deutsch Samuel , Sattely Elizabeth S.
Published: September 2021

Lignin has significant potential as an abundant and renewable source for commodity chemicals yet remains vastly underutilized. Efforts towards engineering a biochemical route to the valorization of lignin are currently limited by the lack of a suitable heterologous host for the production of lignin-degrading enzymes. Here, we show that expression of fungal genes in Nicotiana benthamiana enables production of members from seven major classes of enzymes associated with lignin degradation (23 of 35 tested) in soluble form for direct use in lignin activity assays. We combinatorially characterized a subset of these enzymes in the context of model lignin dimer oxidation, revealing that fine-tuned coupling of peroxide-generators to peroxidases results in more extensive C-C bond cleavage compared to direct addition of peroxide. Comparison of peroxidase isoform activity revealed that the extent of C-C bond cleavage depends on peroxidase identity, suggesting that peroxidases are individually specialized in the context of lignin oxidation. We anticipate the use of N. benthamiana as a platform to rapidly produce a diverse array of fungal lignin-degrading enzymes will facilitate a better understanding of their concerted role in nature and unlock their potential for lignin valorization, including within the plant host itself.
Rates of contributory de novo mutation in high and low-risk autism families
Authors: Yoon Seungtai , Munoz Adriana , Yamrom Boris , Lee Yoon-ha , Andrews Peter , Marks Steven , Wang Zihua , Reeves Catherine , Winterkorn Lara , Krieger Abba M. , Buja Andreas , Pradhan Kith , Ronemus Michael , Baldwin Kristin K. , Levy Dan , Wigler Michael , Iossifov Ivan
Published: September 2021

Autism arises in high and low-risk families. De novo mutation contributes to autism incidence in low-risk families as there is a higher incidence in the affected of the simplex families than in their unaffected siblings. But the extent of contribution in low-risk families cannot be determined solely from simplex families as they are a mixture of low and high-risk. The rate of de novo mutation in nearly pure populations of high-risk families, the multiplex families, has not previously been rigorously determined. Moreover, rates of de novo mutation have been underestimated from studies based on low resolution microarrays and whole exome sequencing. Here we report on findings from whole genome sequence (WGS) of both simplex families from the Simons Simplex Collection (SSC) and multiplex families from the Autism Genetic Resource Exchange (AGRE). After removing the multiplex samples with excessive cell-line genetic drift, we find that the contribution of de novo mutation in multiplex is significantly smaller than the contribution in simplex. We use WGS to provide high resolution CNV profiles and to analyze more than coding regions, and revise upward the rate in simplex autism due to an excess of de novo events targeting introns. Based on this study, we now estimate that de novo events contribute to 52–67% of cases of autism arising from low risk families, and 30–39% of cases of all autism.
QSPcc reduces bottlenecks in computational model simulations
Authors: Tomasoni Danilo , Paris Alessio , Giampiccolo Stefano , Reali Federico , Simoni Giulia , Marchetti Luca , Kaddi Chanchala , Neves-Zaph Susana , Priami Corrado , Azer Karim , Lombardo Rosario
Published: September 2021

Mathematical models have grown in size and complexity becoming often computationally intractable. In sensitivity analysis and optimization phases, critical for tuning, validation and qualification, these models may be run thousands of times. Scientific programming languages popular for prototyping, such as MATLAB and R, can be a bottleneck in terms of performance. Here we show a compiler-based approach, designed to be universal at handling engineering and life sciences modeling styles, that automatically translates models into fast C code. At first QSPcc is demonstrated to be crucial in enabling the research on otherwise intractable Quantitative Systems Pharmacology models, such as in rare Lysosomal Storage Disorders. To demonstrate the full value in seamlessly accelerating, or enabling, the R&D efforts in natural sciences, we then benchmark QSPcc against 8 solutions on 24 real-world projects from different scientific fields. With speed-ups of 22000x peak, and 1605x arithmetic mean, our results show consistent superior performances.
Hidden network generating rules from partially observed complex networks
Authors: Yang Ruochen , Sala Frederic , Bogdan Paul
Published: September 2021

Complex biological, neuroscience, geoscience and social networks exhibit heterogeneous self-similar higher order topological structures that are usually characterized as being multifractal in nature. However, describing their topological complexity through a compact mathematical description and deciphering their topological governing rules has remained elusive and prevented a comprehensive understanding of networks. To overcome this challenge, we propose a weighted multifractal graph model capable of capturing the underlying generating rules of complex systems and characterizing their node heterogeneity and pairwise interactions. To infer the generating measure with hidden information, we introduce a variational expectation maximization framework. We demonstrate the robustness of the network generator reconstruction as a function of model properties, especially in noisy and partially observed scenarios. The proposed network generator inference framework is able to reproduce network properties, differentiate varying structures in brain networks and chromosomal interactions, and detect topologically associating domain regions in conformation maps of the human genome.
Provinces with transitions in industrial structure and energy mix performed best in climate change mitigation in China
Authors: Mi Zhifu , Sun Xinlu
Published: September 2021

China has announced its goal of reaching carbon neutrality before 2060, which will be challenging because the country is still on a path towards peak carbon emissions in approximately 2030. Carbon emissions in China did decline from 2013 to 2016, following a continuous increase since the turn of the century. Here we evaluate regional efforts and motivations in promoting carbon emission reduction during this period. Based on a climate change mitigation index, we pinpoint the leading and lagging provinces in emission reduction. The results show that achievements in industrial transition and non-fossil fuel development determined the leading provinces. Thus, the recommended solution for carbon neutrality in China is to promote the transformation of industrial structure and energy mix. In addition, policymakers should be alert to the path of energy outsourcing to reduce carbon emissions. Consumption-based emissions accounting and interregional cooperation are suggested to motivate developed regions to take more responsibility for climate change mitigation.
Emergent transcriptional adaption facilitates convergent succession within a synthetic community
Authors: Gao Chun-Hui , Cao Hui , Ju Feng , Xiao Ke-Qing , Cai Peng , Wu Yichao , Huang Qiaoyun
Published: September 2021

Taxonomic convergence is common in bacterial communities but its underlying molecular mechanism remains largely unknown. We thus conducted a time-series transcriptional analysis of a convergent two-species synthetic community that grew in a closed broth-culture system. By analyzing the gene expression and monitoring the community structure, we found that gene expression mainly changed in the early stage, whereas community structure significantly changed in the late stage. The significant change of gene expression occurred even at the very beginning, which was designated as “0 h effect”, suggesting the effect of species interaction on gene expression was inevitable. Besides, the effect of interaction on gene expression has a “population effect”, which means that majority species have greater impact on gene expressions of minority species than vice versa. Furthermore, gene set enrichment analysis revealed that among a total of 63 unique pathways (occupying about 50% of all the metabolic pathways in both species), 40 (63%) were consistently suppressed, 16 (25%) were conditionally expressed, and only 7 (11%) were consistently activated. Overall, they were strictly regulated by both time and initial structures. Therefore, we proposed that microorganism responses and the induced gene expression changes play important roles in the process of community succession.
A novel Zn–Al spinel-alumina composite supported gold catalyst for efficient CO oxidation
Authors: Ding Jingyi , Fang Qiang , Huo Guodong , Liu Kuo , Liu Wei , Zhang Yaru , Su Yang , Li Xuning , Zou Xuhua , Xu Xiufeng , Qi Shixue , Ren Wanzhong , Lin Qingquan
Published: September 2021

A spinel-alumina composite supported gold catalyst with excellent CO oxidation activity was developed, and the activation atmosphere could tune the reaction paths and affect its activity by adjusting the amount of surface adsorbed water species.
Synthesis of thiophene-fused porphyrin dimers as effective π-extended helical chromophores
Authors: Nishimura Issei , Higashino Tomohiro , Imahori Hiroshi
Published: September 2021

We synthesized helical thiophene-fused porphyrin dimers, which exhibit strong electronic communication over the two porphyrin moieties through the thiophene-fused structure.
Trapping an unusual pentacoordinate carbon atom in a neutral trialuminum complex
Authors: Villegas-Escobar Nery , Martínez Javier , Matute Ricardo A. , Saltarini Sebastián , Daniliuc Constantin G. , Gade Lutz H. , Rojas René S.
Published: September 2021

A pentacoordinate methylidene carbon atom was trapped in a neutral trimetallic aluminum core using a naphthalene bis amidinate ligand. The resulting complex exhibits the shortest equatorial Al–C bond distance reported for Al3-(μ3-CH2) moieties.
Rh-Catalyzed cyclization of 2,3-allenoic acids in the presence of 2,3-allenols
Authors: Fan Junjie , Fu Chunling , Wu Xiaoyan , Ma Shengming
Published: September 2021

Herein we report a [Cp*RhCl2]2-catalyzed coupling cyclization of two different classes of allenes with 2,3-allenoic acids affording 2(5H)-furanone skeletons of products and 2,3-allenols forming a conjugated (E)-enal or enone functionality to the β-position of the 2(5H)-furanones.
How the in situ monitoring of bulk crystalline phases during catalyst activation results in a better understanding of heterogeneous catalysis
Authors: Penner Simon
Published: September 2021

This Highlight article shows the importance of the in situ monitoring of bulk crystalline compounds for a thorough understanding of heterogeneous catalysts at the intersection of catalysis, materials science, crystallography and inorganic chemistry.
High-pressure synthesis and crystal structure of non-centrosymmetric K2Ca3(CO3)4
Authors: Rashchenko Sergey V. , Shatskiy Anton F. , Ignatov Mark A. , Arefiev Anton V. , Litasov Konstantin D.
Published: September 2021

A new non-centrosymmetric K2Ca3(CO3)4 crystal (P212121, a = 7.39134(18) Å, b = 8.8153(2) Å, c = 16.4803(4) Å) was synthesized in a multi-anvil press at a pressure of 3 GPa and temperature of 975 °C.
Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks
Authors: Qiu Qi-Ming , Sun Ke-Ning , Yang Guo-Yu
Published: September 2021

By tuning the synthetic conditions, borates with 0D clusters were transformed into a 1D chain, 2D layer and 3D framework.
Simple and facile one-step synthesis of bowl-like hollow ZSM-5 zeolites
Authors: Zhu Peng , Zhang Yuan , Liu Cun , Wang Jinshan , Zhang Yafei , Zhang Wei , Liu Haiou , Zhang Xiongfu
Published: September 2021

One-step synthesis of bowl-like hollow ZSM-5 zeolites via controlling the the hydrolysis temperature of TEOS.
5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence
Authors: Sendh Jagajiban , Singh Munendra Pal , Baruah Jubaraj B.
Published: September 2021

Synthons guided the types of N–H⋯π interactions and stacking to cause quenching of emissions.
Evolution of transition metal charge states in correlation with the structural and magnetic properties in disordered double perovskites Ca2−xLaxFeRuO6 (0.5 ≤ x ≤ 2)
Authors: Naveen Kumari , Rom Tanmay , Islam Shams Sohel , Reehuis Manfred , Adler Peter , Felser Claudia , Hoser Andreas , Nath Ramesh Chandra , Yadav Ashok Kumar , Jha Shambhu Nath , Bhattacharyya Dibyendu , Schmidt Marcus , Paul Avijit Kumar
Published: September 2021

La-based B-site disordered double perovskites, Ca2−xLaxFeRuO6, have been investigated thoroughly. The effects of A-site substitution on the charge states and electronic and magnetic properties have been determined in a series of 3d/4d perovskites.
Trion dynamics and charge photogeneration in MoS2 nanosheets prepared by liquid phase exfoliation
Authors: Yue Yuan-Yuan , Zhao Le-Yi , Han Dan-Ao , Wang Lei , Wang Hai-Yu , Gao Bing-Rong , Sun Hong-Bo
Published: September 2021

We demonstrate that C-excitons have a binding energy of −70 meV in LPE-MoS2 nanosheets, which is slightly smaller than that of band-edge excitons.
Dipolar repulsion in α-halocarbonyl compounds revisited
Authors: Rodrigues Silva Daniela , de Azevedo Santos Lucas , Hamlin Trevor A. , Bickelhaupt F. Matthias , P. Freitas Matheus , Fonseca Guerra Célia
Published: September 2021

Beyond point charges! The point charge concept within dipolar repulsion model is valid for compact atoms like fluorine. This model breaks down for larger halogens, for which the electrostatic attraction between nuclei and charge densities dominates.
Adsorption and dissociation of COCl2 on the rutile TiO2(110) surfaces: a systematic first-principles study
Authors: Deng Pan , Li Liang , Liu Dachun , Chen Xiumin , Jiang Wenlong
Published: September 2021

The catalytic degradation of highly toxic phosgene (COCl2) on rutile TiO2(110) surface with different degrees of reduction was systematically studied by first principles study.
Kinetics and energetic analysis of the slow dispersive electron transfer from nano-TiO2 to O2 by in situ diffusion reflectance and Laplace transform
Authors: Wu Zhizhou , Li Liuyang , Zhou Xuedong , Zhao Xiujian , Liu Baoshun
Published: September 2021

In situ diffusion reflectances reveal the trapping-filling effect in the electron transfer from TiO2 to O2 and Laplace transform was developed to derive the broadened apparent barrier energy distribution.
Investigation of nonadiabatic dynamics in the photolysis of methyl nitrate (CH3ONO2) by on-the-fly surface hopping simulation
Authors: Zhang Juanjuan , Peng Jiawei , Hu Deping , Lan Zhenggang
Published: September 2021

Photolysis reaction channels of CH3ONO2 are obtained in the nonadiabatic dynamics simulations.
Magnetic nanoparticles and clusters for magnetic hyperthermia: optimizing their heat performance and developing combinatorial therapies to tackle cancer
Authors: Gavilán Helena , Avugadda Sahitya Kumar , Fernández-Cabada Tamara , Soni Nisarg , Cassani Marco , Mai Binh T. , Chantrell Roy , Pellegrino Teresa
Published: September 2021

Magnetic hyperthermia (MHT) exploits magnetic nanoparticles (MNPs) to burn solid tumors. Here, we overview promising MNPs and magnetic assemblies used in MHT alone or in combination with chemotherapy, radiotherapy, immunotherapy or phototherapy.
Variation of the electrocatalytic activity of isostructural oxides Sr2LaFeMnO7 and Sr2LaCoMnO7 for hydrogen and oxygen-evolution reactions
Authors: Kananke-Gamage Chandana C. W. , Ramezanipour Farshid
Published: September 2021

The effect of the electronic configurations of transition metals on electrocatalytic activity, charge transport, and magnetism is demonstrated in Sr2LaFeMnO7 and Sr2LaCoMnO7.
Lysosome-mediated mitochondrial apoptosis induced by tea polysaccharides promotes colon cancer cell death
Authors: Zhou Yujia , Zhou Xingtao , Hong Tao , Qi Wucheng , Zhang Ke , Geng Fang , Nie Shaoping
Published: September 2021

As we all know, colon cancer is the third most prevalent cancer in the world and existing treatments have many negative effects. Our data indicated that tea polysaccharides induced lysosome-mediated mitochondrial apoptosis promoted colon cancer cell death.
An assessment of electrified methanol production from an environmental perspective
Authors: Delikonstantis Evangelos , Igos Elorri , Theofanidis Stavros-Alexandros , Benetto Enrico , Marin Guy B. , Van Geem Kevin , Stefanidis Georgios D.
Published: September 2021

How green is an electrified methanol production process? Up to 43% greenhouse gas emission curbing is possible when renewable electricity is utilized to drive a novel plasma-assisted dry methane reforming-based process.
Highly selective radical isothiocyano-chalcogenization of alkenes with NH4SCN in water
Authors: Xu Chao , He Ze , Kang Xiaokang , Zeng Qingle
Published: September 2021

A sustainable, highly chemoselective, regioselective and cis-selective radical isothiocyano-chalcogenization of alkenes with NH4SCN in water is disclosed.
Disassembling catechyl and guaiacyl/syringyl lignins coexisting in Euphorbiaceae seed coats
Authors: Su Shihao , Wang Shuizhong , Song Guoyong
Published: September 2021

The complete disassembly of C-lignin and G/S lignin coexisting in Euphorbiaceae seed coats was achieved for the first time.
Catalytic degradation of melamine–formaldehyde resins into valuable chemicals
Authors: Wu Shaodi , Zhang Ning , Jia Shiyu , Wang Chizhou , Wang Yingxiong , Qi Yongqin , Wang Hongliang , Cui Xiaojing , Hou Xianglin , Deng Tiansheng
Published: September 2021

Catalytic degradation of waste melamine–formaldehyde resins into chemicals via the selective cleavage of specific C–N bonds under mild conditions.
Correction: Understanding the in situ state of lignocellulosic biomass during ionic liquids-based engineering of renewable materials and chemicals
Authors: Rajan Kalavathy , Elder Thomas , Abdoulmoumine Nourredine , Carrier Danielle Julie , Labbé Nicole
Published: September 2021

Correction for ‘Understanding the in situ state of lignocellulosic biomass during ionic liquids-based engineering of renewable materials and chemicals’ by Kalavathy Rajan et al., Green Chem., 2020, 22, 6748–6766, DOI: 10.1039/D0GC02582H.
Correction: Constant-potential environment for activating and synchronizing cardiomyocyte colonies with on-chip ion-depleting perm-selective membranes
Authors: Yadav Vivek , Chong Nicolas , Ellis Bradley , Ren Xiang , Senapati Satyajyoti , Chang Hsueh-Chia , Zorlutuna Pinar
Published: September 2021

Correction for ‘Constant-potential environment for activating and synchronizing cardiomyocyte colonies with on-chip ion-depleting perm-selective membranes’ by Vivek Yadav et al., Lab Chip, 2020, 20, 4273–4284, DOI: 10.1039/D0LC00809E.
Hyperthermia-mediated changes in the tumor immune microenvironment using iron oxide nanoparticles
Authors: Covarrubias Gil , Lorkowski Morgan E. , Sims Haley M. , Loutrianakis Georgia , Rahmy Abdelrahman , Cha Anthony , Abenojar Eric , Wickramasinghe Sameera , Moon Taylor J. , Samia Anna Cristina S. , Karathanasis Efstathios
Published: September 2021

Iron oxide nanoparticles (IONPs) have often been investigated for tumor hyperthermia.
A microscopic spatially confined strategy to realize completely reversible self-healing lattice restoration of MoS2 for ultrastable reversible sodium-ion storage
Authors: Tian Wei , Tian Jin , Lin Naiming , Liu Ye , Zeng Hui , Dang Shuo , Jiang Zhongqing , Wang Zhongde
Published: September 2021

Double-layer carbon-encapsulated MoS2 (C@MoS2@C) nanocubes were synthesized and used as an anode for ultralong cycling performance sodium-ion batteries, based on a microscopic spatially confined strategy.
Enhanced visible light photocatalytic water-splitting activity over LaVO4/g-C3N4 with oxygen defects
Authors: Liu Xuecheng , Gao Ling , Qi Gaoxiang , Zhang Jie , Liu Biyan , Chen Yucheng
Published: September 2021

The photocatalytic water-splitting activity is enhanced by the LaVO4/g-C3N4 composite with oxygen defects.
Preparation and application of a D–A conjugated electrochromic flexible electrode with side chain carbazole active groups in supercapacitors
Authors: Wang Pengna , Sun Ying , Li Jie , Kang Weiwei , Zhu Guanqun , Zhang Huijun , Zhang Xueqin , Yang Hong , Lin Bao-Ping
Published: September 2021

Electrochromic power storage devices (ESCs) integrate energy storage and electrochromic behaviour into a single full cell that can enable the visualization of the energy status by the naked eye.
New sp3 diphosphine-based rhodium catalysts for the asymmetric conjugate addition of aryl boronic acids to 3-azaarylpropenones
Authors: Facchetti Giorgio , Fusè Marco , Pecoraro Tania , Nava Donatella , Rimoldi Isabella
Published: September 2021

The new diphosphine (R,R)-EPHOS featuring a stereogenic sp3 carbon combined with a C2 axial chirality was applied to the Rh-catalyzed asymmetric 1,4 addition of aryl boronic acids to 3-azaarylpropenones, affording the product with e.e. up to 94%.
Synthesis of telechelic polyolefins
Authors: Yan Tianwei , Guironnet Damien
Published: September 2021

A comprehensive review of all the methodologies developed for the synthesis of telechelic polyolefins is reported.
An asymmetric supercapacitor with an interpenetrating crystalline Fe-MOF as the positive electrode and its congenetic derivative as the negative electrode
Authors: Wang Saier , Wang Shuaishuai , Guo Xu , Wang Zikai , Mao Feifei , Su Lianghu , Wu Hua , Wang Kuaibing , Zhang Qichun
Published: September 2021

Interpenetrating crystalline Fe-based materials of FeSC and congenetic derivative FeSC# have been assembled into an asymmetric supercapacitor, which can offer an excellent supercapacitor performance.
A facile mechanical energy harvester based on spring assisted triboelectric nanogenerators
Authors: Varghese Harris , Chandran Achu
Published: September 2021

A facile, scalable and robust spring assisted TENG (Sa-TENG) based on PVDF and PMMA films is developed without any complex fabrication steps. The Sa-TENG generated an electrical output of 120 V and 150 μA m−2 from finger tapping force and powered various electronic devices.
Complexes of β-lactoglobulin and high methyl-esterified pectin as a one-shot delivery system for reinforcing oil/water interfaces
Authors: Ramamirtham Sashikumar , Williams Martin A.K. , Zare Davoud , Weeks Mike , Whitby Catherine P.
Published: September 2021

Once protein–polysaccharide complexes reach the interface, proteins adsorb while remaining electrostatically bonded to the polysaccharide. The polysaccharide reinforces the interfacial film by linking the adsorbed protein molecules together.
One-pot facile synthesis of PDMS/PDMAEMA hybrid sponges for surfactant stabilized O/W emulsion separation
Authors: Liu Haifeng , Sun Yifeng , Chen Zhonghui
Published: September 2021

An in situ generated Janus interface on a hybrid sponge surface not only can demulsify O/W emulsions, but also can transport the coagulated oil droplets into the inner part of the sponge.
Large electrocaloric and pyroelectric energy harvesting effect over a broad temperature range via modulating the relaxor behavior in non-relaxor ferroelectrics
Authors: Liu Zhen , Lu Teng , Yan Shiguang , Liao Qibin , Dong Xianlin , Wang Genshui , Liu Yun
Published: September 2021

Modulating the relaxor ferroelectric–paraelectric phase transition behavior in non-relaxor ferroelectrics via composition design stands for a new strategy for realizing large electrocaloric temperature change over a wide temperature window.
High-voltage and intrinsically safe supercapacitors based on a trimethyl phosphate electrolyte
Authors: Nguyen Hoai Van T. , Kim Junam , Lee Kyung-Koo
Published: September 2021

The trimethyl phosphate-based electrolyte system can be considered as a promising candidate for high-voltage and intrinsically safe supercapacitors.
Chemomechanics in Ni–Mn binary cathode for advanced sodium-ion batteries
Authors: Kim Hyungjun , Kim Myungkyu , Park Shidong , Cho Maenghyo , Kim Duho
Published: September 2021

Na[Mn1/2Ni1/2]O2 undergoes anisotropic deformation due to the contraction of Ni by its double redox and Jahn–Teller-induced transition metal layer distortion. However, secondary particle morphology engineering mitigates the mechanical failure.
Synthesis and fluorescence properties of red-to-near-infrared-emitting push–pull dyes based on benzodioxazole scaffolds
Authors: Yang Liu , Chen Suyuan , Yi Dong , Chen Qingxin , Zhang Jie , Xie Yusheng , Sun Hongyan
Published: September 2021

A new class of push–pull dyes with long-wavelength emission based on benzodioxazole scaffolds have been synthesized.
Submicron particles of Ga-substituted strontium hexaferrite obtained by a citrate auto-combustion method
Authors: Gorbachev Evgeny A. , Trusov Lev A. , Wu Mingxi , Vasiliev Alexander V. , Svetogorov Roman D. , Alyabyeva Liudmila N. , Lebedev Vasily A. , Sleptsova Anastasia E. , Karpov Maxim A. , Mozharov Yaroslav M. , Gorshunov Boris P. , Kazin Pavel E.
Published: September 2021

Fine particles of SrFe12−xGaxO19 (x = 0–6) were obtained via a citrate auto-combustion route. Their magnetic and microwave absorption properties, as well as the features of the crystal structure were studied in detail.
Combining protein and RNA quantification to evaluate promoter activity by using dual-color fluorescent reporting systems
Authors: Peng Yan , Huang Xin , Huang Tianfang , Du Feng , Cui Xin , Tang Zhuo
Published: September 2021

Herein, Broccoli/mCherry and an EGFP/mCherry dual-color fluorescent reporting systems have been established to quantify the promoter activity at transcription and translation levels in eukaryotic cells. Based on those systems, four commonly used promoters (CMV and SV40 of Pol II and U6, H1 of Pol III) were accurately evaluated at both the transcriptional and translational levels by combining accurate protein and RNA quantification. Furthermore, we verified that Pol III promoters can induce proteins expression, and Pol II promoter can be applied to express RNA molecules with defined length by combining a self-cleaving ribozyme and an artificial poly(A) tail. The dual-color fluorescence reporting systems described here could play a significant role in evaluating other gene expression regulators for gene therapy.
Twenty‐year retrospection on green manufacturing: A bibliometric perspective
Authors: Pei Zhi , Yu Tianzong , Yi Wenchao , Li Yingde
Published: September 2021

In the modern age of Industry 4.0 and manufacturing servitisation, energy saving and environment consciousness are regarded as vital themes in manufacturing processes to reduce carbon tax and achieve sustainable development. For the past 20 years, the concept of green manufacturing has grown from infancy to a fully formed framework agreed upon by world‐leading enterprises. With the unprecedented development of the information technology today, the industrial data collected could assist in the in‐depth study on green manufacturing, which ranges from the operations of machining tools all the way to supply chain management. The wide scope of research promises a tremendous amount of annual publications in this field. To better facilitate follow‐up research work, the present study provides a systematic overview of green manufacturing‐related areas, including research progress and the developed features. The article set retrieved from the Web of Science contains 5989 documents related to green manufacturing. It is revealed that Journal of Cleaner Production is the most productive journal, archiving documents within the scope of green manufacturing. P. R. China tops the list of the number of documents with 1357 documents (22.66%), while Zhejiang University is the most productive institution. As the cooperation network indicates, P. R. China and the United States maintain the strongest collaborative links with other countries/regions. Finally, possible future directions are recommended based on the findings in the study. For instance, additive manufacturing technology and industrial IoT both have a great potential in green manufacturing; the weak link between the disciplines of manufacturing engineering and environmental science is expected to be strengthened, and a stronger international cooperation is believed to be beneficial to the field for the otherwise isolated countries/regions.
Chua Corsage memristor based neuron models
Authors: Dong Yujiao , Liang Yan , Wang Guangyi , Iu Herbert Ho‐Ching
Published: September 2021

Nowadays, processing of data via neuromorphic non‐linear dynamics is a key element for brain‐inspired computers. In particular, an appropriate neuromorphic device is essential to emulate neuromorphic functions. In this brief, it is found that the Chua Corsage memristor has rich neuromorphic behaviours, which has potential values to realise the hardware construction for neuromorphic computing. The theory of local activity and edge of chaos are applied to analyse the neuromorphic dynamics of the second‐order Chua Corsage memristor based neuron model, and find that the periodic spikes (action potentials) appear either on or near the edge of chaos domain, which are excited by the subcritical Hopf bifurcation or the unstable state of the neuron model, respectively. Furthermore, the third‐order Chua Corsage memristor based neuron model can generate self‐sustained oscillations, periodic spikes, and chaos near the edge of chaos domain.
The effect of a conductive polyaniline/carbon black composite on the performance of a semiconductive layer
Authors: Wang Enmin , Zhang Sheng , Wang Ciyao , Chen Shumei , Hao Chuncheng , Lei Qingquan
Published: September 2021

In this study, conductive polyaniline (PANI) ribbons were introduced to a semiconductive layer to improve the conductivity stability of the layer during thermal expansion and enhance its ability to inhibit charge injection into the insulating layer. To maximise the effect of PANI, PANI and carbon black (CB) were preformed into a uniformly dispersed composite, which was then added to the polymer matrix of the semiconductive layer. The experimental results show that the resistivity of the semiconductive layer containing the PANI/CB composite is more stable during thermal expansion than that of the semiconductive layer only doped with CB. This is attributed to the conductive CB network being enhanced by the PANI ribbons. In addition, due to the unique conductivity mechanism and high dielectric constant of PANI, the semiconductive layer has a strong ability to inhibit space charge injection into the insulating layer.