bluuebunny/crossref_metadata_2025 huggingface dataset:
Exhaustive valorization of cashew nut shell waste as a potential bioresource material
Authors: Nyirenda James , Zombe Kadango , Kalaba George , Siabbamba Chipo , Mukela Inyambo
Published: June 2021

In this paper, we report extraction of cashew nut shell liquid (CNSL) from cashew nut shell waste (CNSW) and further use of residues for generation of activated carbon for removal of heavy metals and methylene blue (MB). Solvent extraction yielded 24.6 ± 0.4%, 38.2 ± 0.4% and 40.1 ± 0.9% for petroleum ether, hexane and ethanol respectively. Phytochemical screening showed presence of alkaloids, carbohydrates, saponins, phenols, tannins, flavonoids, amino acids, terpenoids, proteins, steroids, glycosides and carboxylic acids. The CNSL had a pH of 3.2, viscosity (104.6 ± 1.8 mPa s), moisture (6.5%), ash (1.6 ± 0.1%), refractive index (1.52 ± 0.001), specific density (0.9561 ± 0.0002 g/cm3), acid value (118.7 ± 9.2 mg KOH/g), free fatty acid value (60.1 ± 4.7%), saponification number (138.1 ± 3.2 mg KOH/g) and iodine value (188.1 ± 2.3 mgI 2/100 g). The average percentage removal of Cu (II), Pb (II), Cd (II) and Zn (II) was 99.4 ± 0.5, 95.4 ± 1.5, 99.5 ± 0.1, 98.4 ± 0.1%, and removal efficiency of MB at 50, 150, 250 and 350 mg/L was 99.63, 97.66, 96.48 and 94.81%, respectively. Equilibrium data were best described by the Freundlich isotherm model. The maximum monolayer adsorption capacity was 12.1 mg/g. The adsorption kinetics conformed to pseudo-second-order model. ∆G° was negative and a ∆H° of + 22.76 kJ/mol indicated that adsorption was endothermic. The ΔS° (+ 0.086 kJ/mol/K) showed that there was spontaneous interaction of the solution and adsorbate. These results show that CNSW is a potential bioresource for CNSL production for use in the paints, varnishes, surface coatings, agrochemicals and ethnomedicine industries. Residual shells can be exploited as fuels or converted to activated carbon for use as low-cost filters in water purification.
SARS-CoV-2 mutations in Brazil: from genomics to putative clinical conditions
Authors: Timmers Luis Fernando Saraiva Macedo , Peixoto Julia Vasconcellos , Ducati Rodrigo Gay , Bachega José Fernando Ruggiero , de Mattos Pereira Leandro , Caceres Rafael Andrade , Majolo Fernanda , da Silva Guilherme Liberato , Anton Débora Bublitz , Dellagostin Odir Antônio , Henriques João Antônio Pegas , Xavier Léder Leal , Goettert Márcia Inês , Laufer Stefan
Published: June 2021

Due to the high rate of transmissibility, Brazil became the new COVID-19 outbreak epicenter and, since then, is being monitored to understand how SARS-CoV-2 mutates and spreads. We combined genomic and structural analysis to evaluate genomes isolated from different regions of Brazil and show that the most prevalent mutations were located in the S, N, ORF3a and ORF6 genes, which are involved in different stages of viral life cycle and its interaction with the host cells. Structural analysis brought to light the positions of these mutations on protein structures, contributing towards studies of selective structure-based drug discovery and vaccine development.
First principles computation of composition dependent elastic constants of omega in titanium alloys: implications on mechanical behavior
Authors: Salloom R. , Mantri S. A. , Banerjee R. , Srinivasan S. G.
Published: June 2021

For decades the poor mechanical properties of Ti alloys were attributed to the intrinsic brittleness of the hexagonal ω-phase that has fewer than 5-independent slip systems. We contradict this conventional wisdom by coupling first-principles and cluster expansion calculations with experiments. We show that the elastic properties of the ω-phase can be systematically varied as a function of its composition to enhance both the ductility and strength of the Ti-alloy. Studies with five prototypical β-stabilizer solutes (Nb, Ta, V, Mo, and W) show that increasing β-stabilizer concentration destabilizes the ω-phase, in agreement with experiments. The Young’s modulus of ω-phase also decreased at larger concentration of β-stabilizers. Within the region of ω-phase stability, addition of Nb, Ta, and V (Group-V elements) decreased Young’s modulus more steeply compared to Mo and W (Group-VI elements) additions. The higher values of Young’s modulus of Ti–W and Ti–Mo binaries is related to the stronger stabilization of ω-phase due to the higher number of valence electrons. Density of states (DOS) calculations also revealed a stronger covalent bonding in the ω-phase compared to a metallic bonding in β-phase, and indicate that alloying is a promising route to enhance the ω-phase’s ductility. Overall, the mechanical properties of ω-phase predicted by our calculations agree well with the available experiments. Importantly, our study reveals that ω precipitates are not intrinsically embrittling and detrimental, and that we can create Ti-alloys with both good ductility and strength by tailoring ω precipitates' composition instead of completely eliminating them.
Author Correction: CXCR7 ameliorates myocardial infarction as a β-arrestin-biased receptor
Authors: Ishizuka Masato , Harada Mutsuo , Nomura Seitaro , Ko Toshiyuki , Ikeda Yuichi , Guo Jiaxi , Bujo Satoshi , Yanagisawa‑Murakami Haruka , Satoh Masahiro , Yamada Shintaro , Kumagai Hidetoshi , Motozawa Yoshihiro , Hara Hironori , Fujiwara Takayuki , Sato Tatsuyuki , Takeda Norifumi , Takeda Norihiko , Otsu Kinya , Morita Hiroyuki , Toko Haruhiro , Komuro Issei
Published: June 2021

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Metabolic control of daily locomotor activity mediated by tachykinin in Drosophila
Authors: Lee Sang Hyuk , Cho Eunjoo , Yoon Sung-Eun , Kim Youngjoon , Kim Eun Young
Published: June 2021

Metabolism influences locomotor behaviors, but the understanding of neural curcuit control for that is limited. Under standard light-dark cycles, Drosophila exhibits bimodal morning (M) and evening (E) locomotor activities that are controlled by clock neurons. Here, we showed that a high-nutrient diet progressively extended M activity but not E activity. Drosophila tachykinin (DTk) and Tachykinin-like receptor at 86C (TkR86C)-mediated signaling was required for the extension of M activity. DTk neurons were anatomically and functionally connected to the posterior dorsal neuron 1s (DN1ps) in the clock neuronal network. The activation of DTk neurons reduced intracellular Ca2+ levels in DN1ps suggesting an inhibitory connection. The contacts between DN1ps and DTk neurons increased gradually over time in flies fed a high-sucrose diet, consistent with the locomotor behavior. DN1ps have been implicated in integrating environmental sensory inputs (e.g., light and temperature) to control daily locomotor behavior. This study revealed that DN1ps also coordinated nutrient information through DTk signaling to shape daily locomotor behavior.
Enhanced aging kinetics in Al-Mg-Si alloys by up-quenching
Authors: Schmid Florian , Dumitraschkewitz Philip , Kremmer Thomas , Uggowitzer Peter J. , Tosone Ramona , Pogatscher Stefan
Published: June 2021

Precipitation-hardened aluminium alloys typically obtain their strength by forming second-phase particles, which, however, often have a negative effect on formability. To enable both lightweight construction and forming of complex parts such as body panels, high strength and formability are required simultaneously. Cluster hardening is a promising approach to achieve this. Here, we show that short thermal spikes, denoted as up-quenching, increase aging kinetics, which we attribute to the repeated process of vacancies being formed at high temperatures and retained when cooled to lower temperatures. Combined with further heat treatment, the up-quenching process promotes rapid and extensive cluster formation in Al-Mg-Si alloys, which in turn generates significant strengthening at industrially relevant heat treatment time scales. The high elongation values also observed are attributed to reduced solute depleted zones along grain boundaries.
Non-growing season carbon emissions in a northern peatland are projected to increase under global warming
Authors: Rafat Arash , Rezanezhad Fereidoun , Quinton William L. , Humphreys Elyn R. , Webster Kara , Van Cappellen Philippe
Published: June 2021

Peatlands are important ecosystems that store approximately one third of terrestrial organic carbon. Non-growing season carbon fluxes significantly contribute to annual carbon budgets in peatlands, yet their response to climate change is poorly understood. Here, we investigate the governing environmental variables of non-growing season carbon emissions in a northern peatland. We develop a support-vector regression model using a continuous 13-year dataset of eddy covariance flux measurements from the Mer Blue Bog, Canada. We determine that only seven variables were needed to reproduce carbon fluxes, which were most sensitive to net radiation above the canopy, soil temperature, wind speed and soil moisture. We find that changes in soil temperature and photosynthesis drove changes in net carbon flux. Assessing net ecosystem carbon exchange under three representative concentration pathways, we project a 103% increase in peatland carbon loss by 2100 under a high emissions scenario. We suggest that peatland carbon losses constitute a strong positive climate feedback loop.
Silk Fibroin-based Soft Biomaterial/Scaffolds for Tissue Engineering Strategies
Authors: Yang Y. , Spessot E. , Motta A.
Published: June 2021

Silk fibroin, the filament core of silk, has been widely studied and applied in tissue engineering field in the past decades, due to its outstanding biological properties, and tunable chemical and mechanical properties. Thanks to advanced technologies, the chemical modifications and manufacturing methods are translating silk fibroin from the research field to specific applications. This chapter is focusing on the multi-steps from silk cocoon to soft matrices fabrication. Following the processing procedure, starting from the structure, the relationship between chemical compositions, secondary structure, and the properties of silk fibroin was well explained. Then, a comparison of different methods of silk fibroin purifications, including degumming, dissolution, and dialysis was presented. Moreover, functionalization methods of silk fibroin were presented with examples. Finally, for the silk fibroin-based soft matrices manufacturing, different methods were classified in crosslinking, gas foaming, salt leaching, and ink for 3D printing for tissue engineering applications. In the last section, the challenges of silk fibroin for current applications are listed, showing the bottleneck of translating this promising material to commercialized applications.
Protein Aggregation Suppression and Folding Promotion by Synthetic Molecules
Authors: Muraoka T.
Published: June 2021

In this chapter, the design, synthesis and properties of synthetic molecules for protein manipulations are described. Structural modification of poly(ethylene glycol) (PEG) to change the topology and to add amphiphilicity affords protein stabilization effects. Macrocyclization of PEG with pentaerythritol corners leads to different properties in hydrophobicity and thermal responses from the corresponding linear PEGs. The topological effects afford the macrocyclic PEGs with functions to interact with thermally denatured proteins to suppress aggregation. Amphiphilic modification of PEGs with an aromatic group is also effective for protein aggregation suppression. Particularly, relatively short PEGs can be functionalized for protein manipulation by the amphiphilic modification. Folding of a polypeptide chain into the native structure is an important process of a protein to perform its biological function, and the folding process is promoted by chaperons in cells. Development of synthetic promotors for oxidative protein folding is described in the last part of this chapter.
Elastin-like Recombinamers (ELRs) for Biomedical Applications
Authors: González de Torre I. , González-Pérez M. , Alonso M. , Rodríguez-Cabello J. C.
Published: June 2021

Elastin-like recombinamers (ELRs) are genetically engineered peptides that offer huge possibilities in terms of both their design and applications. As such, they have attracted the attention of numerous researchers recently due to their unique features as biomaterials for biomedical applications. In this chapter, we will explain what ELRs are, summarizing the main features and possibilities that ELRs offer for biomedical applications. The main forms in which ELRs are processed (coacervates, nanoparticles, hydrogels, fibers and others) will be explored and we will focus our attention on the main applications of each. Finally, a brief discussion of their future perspectives will outline the challenges that ELRs must overcome in the near future.
Smart Porous Silica–Polymer Nanomaterials for Theranostics
Authors: Gonçalves J. L. M. , Baleizão C. , Farinha J. P. S.
Published: June 2021

Smart porous silica–polymer nanomaterials provide a very versatile platform for simultaneous diagnostic and smart therapeutic applications, or theranostics. Nanocarriers for this application should be able to deliver their cargo on-demand at the desired location and provide diagnostic information on their position. To this end, they should accommodate a large cargo payload, be traceable, feature targeting groups that direct them to the desired location, and be equipped with a smart release control mechanism that delivers the cargo at that location. Their ultimate objective is to use the diagnostic information acquired locally to control the therapeutic action, either by a self-controlled mechanism or by an external trigger. Here, we focus on the use of hybrid mesoporous silica nanoparticles that combine therapeutic and diagnostic functionalities, presenting the synthetic versatility they offer and a number of applications in controlled delivery in the biomedical field.
Cyclodextrin-based Drug Delivery Systems Manufactured by Emergent Technologies: 3D-printing, Electrospinning, Microneedles, Microfluidics and MOFs
Authors: Grimaudo M. A. , Concheiro A. , Alvarez-Lorenzo C.
Published: June 2021

High-throughput screening approaches for the discovery of novel drug entities have led to an increasing number of lipophilic water-insoluble compounds, with poor physicochemical and biopharmaceutical properties. In parallel the need of improvements in traditional dosage forms in terms of personalized drug loading, precise control of the release and targeting is prompting the emergence of novel processing technologies. Interestingly, the capability of cyclodextrins (CDs) to interact with an enormous variety of small and large molecules may help addressing the demands of both novel drug candidates and novel processing technologies. In this chapter, recent applications of CDs to the development of 2D/3D-printed architectures, electrospun platforms, microneedles, microfluidics-processed nanoparticles and metal–organic frameworks (MOFs) are revisited. Although the literature is still incipient, analysis of in vitro and in vivo studies highlights the very diverse roles that CDs may play. Thus, far from being out of fashion excipients CDs are increasingly relevant for advanced drug delivery systems and medicated scaffolds.
Liposomes in Targeted Drug Delivery
Authors: He W.
Published: June 2021

Liposomes are one of the most successfully targeted drug delivery systems and are attracting increasing attention in the biomedical field due to their excellent properties such as potent payload ability for both hydrophobic and hydrophilic active agents and biopharmaceuticals, biocompatibility, and scalability. To date, over 21 liposomal formulations have been approved for clinical use, and approximately 28 liposomal products are under clinical trial. In this chapter, we will discuss the use of liposomes in targeted drug delivery based on the classification of composition.
Stimuli-responsive Drug Delivery Hydrogels
Authors: Nazeer M. A. , Batool S. R. , Kizilel S.
Published: June 2021

Stimuli-responsive hydrogels are gaining popularity as ‘smart’ devices in biomedical science, medicine, and tissue engineering due to their exceptional properties such as biocompatibility, high drug loading capability, and on-demand sustained release. These required properties can be achieved by selecting an appropriate polymer, its facile modification, and by tuning the crosslink density in a hydrogel. Stimuli-responsive hydrogels can respond to various physical, chemical, and biological stimuli resulting in structural changes in the hydrogel. These structural changes, such as swelling and shrinkage, provoke the release of a therapeutic drug or biologically active molecule entrapped inside the hydrogel. Multi-responsive hydrogels respond to more than one stimulus and can provide an opportunity to load multiple cargoes for site-specific delivery. However, to realize this concept in practical applications, significant improvement in hydrogel design is still required. Efforts are needed to design an efficient system that can carry multifunctional moieties, can respond quickly to multiple stimuli, and release the payload one by one as required. This chapter highlights the recent progress in the field of stimuli-responsive drug delivery hydrogels, focusing primarily on the design, and working of such vehicles.
3D-printed Soft Hydrogels for Cell Encapsulation
Authors: Scalzone A. , Tonda-Turo C. , Ferreira A. M. , Gentile P.
Published: June 2021

Recent advances in 3D-printing with a combination of cell biology with materials science allowed the manufacturing of cell-encapsulated biomaterials to be used in tissue engineering. The main component of these bioprinted constructs is a bioink that requires its characteristics to be considered and tuned throughout the selection process. In this chapter, the focus is on the physico-chemical and biological requirements of the hydrogels being considered as bioinks with a deep investigation on the different crosslinking mechanisms that allow a stable hydrogel to be created during the bioprinting process. This chapter also describes the current focus areas for cell-encapsulated bioprinting highlighting the recent progress and limitations of the bioprinting to date, with a critical perspective on the future outlook.
Animal Protein-based Soft Materials for Tissue Engineering Applications
Authors: Custódio C. A. , Santos S. C. , Monteiro C. F. , Deus I. A. , Gomes M. C. , Mano J. F.
Published: June 2021

Proteins have long been used in coatings for cell culture plates and to supplement cell culture media. Due to their unmatched biocompatibility, biodegradability, bioactivity and immune-privilege, the interest in proteins rapidly advanced for the design and engineering of more complex substrates for biomedical applications. In this chapter, the proteins typically used in the design and fabrication of biomedical devices are presented and discussed, with particular focus in human-based platforms. However, restrictions in the use of protein-derived materials are associated with their limited processability and stability, but to overcome this, multiple bioconjugation techniques have been described and are herein presented. An overview of current protein-based materials that have found clinical application and that have been commercialized is also provided.
Soft Robotics Solutions for Minimally Invasive Surgery: The Need for Stiffness Controllability
Authors: Fras Jan , Arezzo Alberto , Shiva Ali , Althoefer Kaspar
Published: June 2021

Over the last 20 years, there has been tremendous development in the area of robotized surgical tools with the da Vinci Surgical System by Intuitive Surgical being a clear frontrunner. While the da Vinci Surgical System is based on the more traditional rigid-component technology that already has a proven track record for being capable of conducting tasks with high position accuracy, a need for more dexterous and more compliant surgical tools has been recognized. Soft material robotics, a recently emerging field, shows a lot of promise in this respect. The beginnings of soft robotics for minimally invasive surgery can be traced back to work conducted in the framework of EU-funded project STIFF-FLOP which proposed a radical shift from the traditional rigid-component approach toward soft robots taking inspiration from biology. The biological role model used within STIFF-FLOP was the octopus which is capable of squeezing its boneless limbs through the narrowest of openings and also stiffening them to conduct tasks by applying the required force to the environment. This chapter will summarize the findings of this earlier work and report on recent advancements with regards to fabrication, actuation and the control of stiffness of soft robots for minimally invasive surgery.
Cell-based Soft Biomaterials
Authors: Silva A. Sofia , Santos Lúcia F. , Oliveira Mariana B. , Mano João F.
Published: June 2021

Cell-based tissue engineering (TE) has been rapidly evolving to meet the demand of scaffold-free regenerative tissues. Commonly used scaffold-based strategies are often associated with delayed tissue formation, rejection and tissue failure. Scaffold-free TE is a bottom-up methodology that makes use of cell-based soft biomaterials such as cell sheets(CS), spheroids or multishaped microtissues and fiber-shaped multicellular aggregates as building blocks for the construction of functional biomimetic 3D heterogeneous tissues(i.e. consisting of different cell types). Cell-based soft biomaterials are a type of scaffold-free tissues where biomaterials may be used to stimulate and help to orchestrate predetermined functions of natural tissues. The following sections will explore the different cell-based or scaffold-free systems, their advantages, challenges, methods and applications. Major advances in the scaffold-free field resulting from the well-architectured combination of the different methodologies are also reported.
Multiphoton imaging and Raman spectroscopy of the bovine vertebral endplate
Authors: Crawford-Manning Fay , Vardaki Martha Z. , Green Ellen , Meakin Judith R. , Vergari Claudio , Stone Nick , Winlove C. Peter
Published: June 2021

Multiphoton imaging and Raman spectroscopy reveal chemistry and micro-structure of the bovine vertebral endplate.
Enhanced efficiency of nonviral direct neuronal reprogramming on topographical patterns
Authors: Mattiassi Sabrina , Rizwan Muhammad , Grigsby Christopher L. , Zaw Aung Moe , Leong Kam W. , Yim Evelyn K. F.
Published: June 2021

Using high-throughput screening, we were able to identify topographies that can significantly improve the efficiency of nonviral neuronal reprogramming.
Molecular engineering of antimicrobial peptide (AMP)–polymer conjugates
Authors: Cui Zixian , Luo Qinmo , Bannon Mark S. , Gray Vincent P. , Bloom Taylor G. , Clore Madeline F. , Hughes Molly A. , Crawford Matthew A. , Letteri Rachel A.
Published: June 2021

Engineering the architectures of antimicrobial peptide-polymer conjugates provides compelling opportunities to balance bactericidal activity with stability and biocompatibility, to address the critical need for innovative antimicrobial treatments.
Trinuclear scandium methylidyne complexes stabilized by pentamethylcyclopentadienyl ligands
Authors: Deng Peng , Shi Xianghui , Gong Xun , Cheng Jianhua
Published: June 2021

Scandium methylidyne complex [(Cp*)Sc(μ2-OMe)]3(μ3-CH), free of Lewis acids, can be achieved in high yield, and shows the flexibility to incorporate organic substrates by insertion into the Sc–C(methylidyne) bond.
Fusing pyrene and ferrocene into a chiral, redox-active triangle
Authors: Metzelaars Marvin , Sanz Sergio , Rawson Jeff , Hartmann Rudolf , Schneider Claus M. , Kögerler Paul
Published: June 2021

A trimeric ferrocene–pyrene cyclophane interconverts between enantiomeric conformers, a consequence of both ferrocene rotation and the frontier orbitals of pyrene.
Triple-mode tunable long-persistent luminescence in a 3D zinc-organic hybrid
Authors: Ma Yu-Juan , Fang Xiaoyu , Xiao Guowei , Lu Bo , Yan Dongpeng
Published: June 2021

A 3D metal–organic hybrid [Zn3(D-Cam)3(tib)2]·2H2O exhibits triple-mode (excitation wavelength-, time- and temperature-) dependent persistent luminescence properties.
Toward multifunctional molecular cells for quantum cellular automata: exploitation of interconnected charge and spin degrees of freedom
Authors: Palii Andrew , Clemente-Juan Juan Modesto , Rybakov Andrey , Aldoshin Sergey , Tsukerblat Boris
Published: June 2021

We discuss a possibility of using mixed-valence dimers comprising paramagnetic metal ions as molecular cells for quantum cellular automata. Charge distributions in these systems encode binary information with additional option of spin switching.
Energy partitioning and spin–orbit effects in the photodissociation of higher chloroalkanes
Authors: Vinklárek Ivo S. , Suchan Jiří , Rakovský Jozef , Moriová Kamila , Poterya Viktoriya , Slavíček Petr , Fárník Michal
Published: June 2021

Photodissociation of the C–Cl bond in chloroalkanes probed by ab initio simulations and velocity map imaging identify the alkyl chain as a soft energy absorbing unit and an increasing role of spin–orbit coupling with the alkyl chain prolongation.
Salt bridge dynamics in protein/DNA recognition: a comparative analysis of Elk1 and ETV6
Authors: Vo Tam D. , Schneider Amelia L. , Wilson W. David , Poon Gregory M. K.
Published: June 2021

Divergent compositions of charged amino acid encode highly conserved DNA-binding motifs. Two homologs, Elk1 and ETV6, show that ionic residues distal from the DNA interface dynamically govern specificity without directly competing for DNA contacts.
The interaction of chondroitin sulfate with a lipid monolayer observed by using nonlinear vibrational spectroscopy
Authors: Szekeres Gergo Peter , Krekic Szilvia , Miller Rebecca L. , Mero Mark , Pagel Kevin , Heiner Zsuzsanna
Published: June 2021

Chondroitin sulfate interacts with the headgroups of a lipid monolayer at the air–liquid interface and shows a chiral secondary structure.
Catalytic transfer hydrogenation of ethyl levulinate to γ-valerolactone over supported MoS2 catalysts
Authors: Ji Na , Diao Xinyong , Yu Zhihao , Liu Zhenyu , Jiang Sinan , Lu Xuebin , Song Chunfeng , Liu Qingling , Ma Degang , Liu Caixia
Published: June 2021

A MoS2 catalytic system was developed for the efficient catalytic transfer hydrogenation of levulinate esters to γ-valerolactone, and the support effect and reaction mechanism were discussed for this novel system.
Co3O4/CeO2 multi-shelled nanospheres derived from self-templated synthesis for efficient catalytic CO oxidation
Authors: Liang Xi , Zhang Shuaishuai , Zhao Meng , Xu Jing , Yu Yang , Song Shuyan , Zhang Hongjie
Published: June 2021

Co0.9Ce0.1O2−δ catalyst derived from the coordination polymer demonstrats superior CO oxidation performance, which can be attributed to the higher surface area caused by incorporating Ce.
Selective encapsulation of a chloride anion in a 1H-pyrazole Cu2+ metallocage
Authors: Pitarch-Jarque Javier , Jiménez Hermas R. , Kalenius Elina , Blasco Salvador , Lopera Alberto , Clares M. Paz , Rissanen Kari , García-España Enrique
Published: June 2021

A self-assembled metallobox from copper(ii) and two macrocycles containing 1H-pyrazole ligands encapsulates one chloride anion.
LaTeBO5: a new borotellurite with a large birefringence activated by the highly distorted [Te(iv)O4] group
Authors: Wang Jiankang , Wu Hongping , Yu Hongwei , Hu Zhanggui , Wang Jiyang , Wu Yicheng
Published: June 2021

A new borotellurite, LaTeBO5, has been synthesized, which can exhibit a large birefringence and wide ultraviolet transmittance range and has potential as a UV birefringent crystal.
A facile method for sample preparation of ore for quantitative analysis by laser desorption ionization-time of flight mass spectrometry using an internal standard
Authors: Dodangeh Masood , Farrokhpour Hossein , Tabrizchi Mahmoud , Ghaziaskar Hassan Seyed
Published: June 2021

A dried slurry consisting of ground ore and internal and external standards resulted in improved reproducibility for quantitative analysis by laser desorption ionization-time of flight mass spectrometry.
Postoperative evaluation of tumours based on label-free acoustic separation of circulating tumour cells by microstreaming
Authors: Bai Xue , Song Bin , Chen Ziteng , Zhang Wei , Chen Dixiao , Dai Yuguo , Liang Shuzhang , Zhang Deyuan , Zhao Zhijun , Feng Lin
Published: June 2021

Anticipating tumor metastasis by circulating tumor cells captured by acoustic microstreaming.
Sample-to-answer COVID-19 nucleic acid testing using a low-cost centrifugal microfluidic platform with bead-based signal enhancement and smartphone read-out
Authors: Soares Ruben R. G. , Akhtar Ahmad S. , Pinto Inês F. , Lapins Noa , Barrett Donal , Sandh Gustaf , Yin Xiushan , Pelechano Vicent , Russom Aman
Published: June 2021

LAMP-based platform for SARS-CoV-2 RNA detection incorporating beads to remove primer-dimers, enhance fluorescent signal and stop the reaction after amplification.
Facile assembly of 2D Ni-based coordination polymer nanosheets as battery-type electrodes for high-performance supercapacitors
Authors: Ma Qinghai , Cui Fang , Liu Mufei , Zhang Jiajia , Cui Tieyu
Published: June 2021

Nanoscale coordination polymers (Ni-nCPs) acting as battery-type electrodes exhibited excellent performance in energy storage.
Chemical conjugation of nucleic acid aptamers and synthetic polymers
Authors: Nerantzaki Maria , Loth Capucine , Lutz Jean-François
Published: June 2021

This minireview describes the synthesis, characterization and properties of aptamer–polymer conjugates. This new class of polymer bioconjugates combines the advantages of synthetic polymers and folded nucleic acids.
Cyanate ester resins toughened with epoxy-terminated and fluorine-containing polyaryletherketone
Authors: Wang Chaofan , Tang Yusheng , Zhou Yuxiao , Zhang Yanyao , Kong Jie , Gu Junwei , Zhang Junliang
Published: June 2021

A novel epoxy-terminated and fluorine-containing polyaryletherketone modified bisphenol A dicyanate ester resin showed significantly improved comprehensive properties.
Multiscale numerical simulation of in-plane mechanical properties of two-dimensional monolayers
Authors: Imani Yengejeh Sadegh , Kazemi Seyedeh Alieh , Wen William , Wang Yun
Published: June 2021

The recent progress of multiscale numeric methods for investigating in-plane mechanical properties of 2D monolayers is reviewed.
Critical biodegradation process of a widely used surfactant in the water environment: dodecyl benzene sulfonate (DBS)
Authors: Gu Yu , Qiu Yanting , Hua Xiuyi , Shi Zhimin , Li Anfeng , Ning Yang , Liang Dapeng
Published: June 2021

This work established a method for detecting the intermediate products of DBS degraded byC. vulgaris, and indicated the process of DBS degradation.
Ruthenium complexes of sterically-hindered pentaarylcyclopentadienyl ligands
Authors: Asato Ryosuke , Martin Colin J. , Gisbert Yohan , Abid Seifallah , Kawai Tsuyoshi , Kammerer Claire , Rapenne Gwénaël
Published: June 2021

Preparation of chlorine functionalised intermediates has been developed which is well adapted for highly sterically hindered compounds both with either electron rich or poor systems.
Machine learning designs non-hemolytic antimicrobial peptides
Authors: Capecchi Alice , Cai Xingguang , Personne Hippolyte , Köhler Thilo , van Delden Christian , Reymond Jean-Louis
Published: June 2021

Machine learning models trained with experimental data for antimicrobial activity and hemolysis are shown to produce new non-hemolytic antimicrobial peptides active against multidrug-resistant bacteria.
Allylic alcohol synthesis by Ni-catalyzed direct and selective coupling of alkynes and methanol
Authors: Chen Herong , Zhou Zhijun , Kong Wangqing
Published: June 2021

Methanol is an abundant and renewable chemical raw material, but its use as a C1 source in C–C bond coupling reactions still constitutes a big challenge, and the known methods are limited to the use of expensive and noble metal catalysts such as Ru, Rh and Ir.
Correction: Layer-structured FeCo bihydroxide as an ultra-stable bifunctional electrocatalyst for water splitting at high current densities
Authors: Sun Chaoyang , Wang Hui , Ji Shan , Wang Xuyun , Linkov Vladimir , Tian Xinlong , Yao Long , Zhao Jiarui , Wang Rongfang
Published: June 2021

Correction for ‘Layer-structured FeCo bihydroxide as an ultra-stable bifunctional electrocatalyst for water splitting at high current densities’ by Chaoyang Sun et al., Sustainable Energy Fuels, 2021, DOI: 10.1039/d1se00380a.
Fluctuation–dissipation relations far from equilibrium: a case study
Authors: Jung Gerhard , Schmid Friederike
Published: June 2021

We investigate by simulations and theory the validity of different fluctuation–dissipation theorems (FDT) in non-equilibrium systems and find that the second FDT is never fundamentally violated.
Supramolecular Co-adsorption on TiO2 to enhance the efficiency of dye-sensitized solar cells
Authors: An Jincheng , Tian Zhifeng , Zhang Li , Yang Xichuan , Cai Bin , Yu Ze , Zhang Liyan , Hagfeldt Anders , Sun Licheng
Published: June 2021

Three single dyes show poor PCEs respectively, and the PCEs are greatly improved by mutual co-sensitization. It is found that two different dyes of co-sensitization have supramolecular action when adsorb on the surface of TiO2. This work reveals a new discovery to offer a great promise for improving the photovoltaic performance through supramolecular action.
In vitroandin vivoblood compatibility of concentrated polymer brushes
Authors: Yoshikawa Chiaki , Hattori Shinya , Huang Chih-Feng , Kobayashi Hisatoshi , Tanaka Masaru
Published: June 2021

We have comprehensively studiedin vitroandin vivoblood compatibility of concentrated polymer brushes.
In situ dopant-induced nano-crystallization of rare-earth-fluoride crystals in phase-separated networks for highly-efficient photoemission and photonic devices
Authors: Fang Zaijin , Li Jianfeng , Sun Li-Peng , Zhi Yanyan , Long Yi , Zheng Shupei , Chen Zhi , Qiu Jianrong , Guan Bai-Ou
Published: June 2021

RE-fluoride nanocrystals are controllably precipitated in glass by in situ dopant-induced crystallization strategy. RE ions spontaneously enter fluoride crystals, greatly enhancing the luminescence efficiency as compared to traditional materials.
Advances in metabolic engineering of Corynebacterium glutamicum to produce high-value active ingredients for food, feed, human health, and well-being
Authors: Wolf Sabrina , Becker Judith , Tsuge Yota , Kawaguchi Hideo , Kondo Akihiko , Marienhagen Jan , Bott Michael , Wendisch Volker F. , Wittmann Christoph
Published: June 2021

The soil microbe Corynebacterium glutamicum is a leading workhorse in industrial biotechnology and has become famous for its power to synthetise amino acids and a range of bulk chemicals at high titre and yield. The product portfolio of the microbe is continuously expanding. Moreover, metabolically engineered strains of C. glutamicum produce more than 30 high value active ingredients, including signature molecules of raspberry, savoury, and orange flavours, sun blockers, anti-ageing sugars, and polymers for regenerative medicine. Herein, we highlight recent advances in engineering of the microbe into novel cell factories that overproduce these precious molecules from pioneering proofs-of-concept up to industrial productivity.
Spectral evolution of X-ray pulsar 4U 1901+03 during the 2019 outburst based on Insight-HXMT and NuSTAR observations
Authors: Nabizadeh Armin , Tsygankov Sergey S. , Ji Long , Doroshenko Victor , Molkov Sergey V. , Tuo Youli , Zhang Shuang-Nan , Lu Fan-Jun , Zhang Shu , Poutanen Juri
Published: June 2021

We report on a detailed spectral analysis of emission from X-ray pulsar 4U 1901+03 using data obtained by the Insight-HXMT and NuSTAR observatories during the 2019 outburst of the source. Thanks to the extensive coverage of the outburst by Insight-HXMT, we were able to investigate the spectral evolution of the source as a function of flux, and compare these results to the previous reports, focusing on the properties of a putative absorption feature at around 10 keV. In particular, we demonstrate that the broadband X-ray continuum of 4U 1901+03 can be well described with a two-component continuum model without an absorption line at 10 keV, which casts doubt on its interpretation as a cyclotron line. The high quality of the data also allowed us to perform both phase-averaged and phase-resolved spectral analyses as a function of luminosity. Finally, we performed a detailed investigation of another absorption feature in the spectrum of the source around 30 keV recently reported in the NuSTAR data. We show that this feature appears to be significantly detected both in phase-averaged and phase-resolved spectra irrespective of the continuum model.
ALMA multiline survey of the ISM in two quasar host–companion galaxy pairs atz> 6
Authors: Pensabene A. , Decarli R. , Bañados E. , Venemans B. , Walter F. , Bertoldi F. , Fan X. , Farina E. P. , Li J. , Mazzucchelli C. , Novak M. , Riechers D. , Rix H.-W. , Strauss M. A. , Wang R. , Weiß A. , Yang J. , Yang Y.
Published: June 2021

We present a multiline survey of the interstellar medium (ISM) in twoz > 6 quasar host galaxies, PJ231−20 (z = 6.59) and PJ308−21 (z = 6.23), and their two companion galaxies. Observations were carried out using the Atacama Large (sub-)Millimeter Array (ALMA). We targeted 11 transitions including atomic fine-structure lines (FSLs) and molecular lines: [NII]205 μm, [CI]369 μm, CO (Jup = 7, 10, 15, 16), H2O 312 − 221, 321 − 312, 303 − 212, and the OH163 μmdoublet. The underlying far-infrared (FIR) continuum samples the Rayleigh-Jeans tail of the respective dust emission. By combining this information with our earlier ALMA [CII]158 μmobservations, we explored the effects of star formation and black hole feedback on the ISM of the galaxies using the CLOUDY radiative transfer models. We estimated dust masses, spectral indexes, IR luminosities, and star-formation rates from the FIR continuum. The analysis of the FSLs indicates that the [CII]158 μmand [CI]369 μmemission arises predominantly from the neutral medium in photodissociation regions (PDRs). We find that line deficits agree with those of local luminous IR galaxies. The CO spectral line energy distributions (SLEDs) reveal significant high-JCO excitation in both quasar hosts. Our CO SLED modeling of the quasar PJ231−20 shows that PDRs dominate the molecular mass and CO luminosities forJup ≤ 7, while theJup ≥ 10 CO emission is likely driven by X-ray dissociation regions produced by the active galactic nucleus (AGN) at the very center of the quasar host. TheJup > 10 lines are undetected in the other galaxies in our study. The H2O 321 − 312line detection in the same quasar places this object on theLH2O − LTIRrelation found for low-zsources, thus suggesting that this water vapor transition is predominantly excited by IR pumping. Models of the H2O SLED and of the H2O-to-OH163 μmratio point to PDR contributions with high volume and column density (nH ∼ 0.8 × 105cm−3,NH = 1024cm−2) in an intense radiation field. Our analysis suggests a less highly excited medium in the companion galaxies. However, the current data do not allow us to definitively rule out an AGN in these sources, as suggested by previous studies of the same objects. This work demonstrates the power of multiline studies of FIR diagnostics in order to dissect the physical conditions in the first massive galaxies emerging from cosmic dawn.
Long-term X-ray evolution of SDSS J134244.4+053056.1
Authors: He J. S. , Dou L. M. , Ai Y. L. , Shu X. W. , Jiang N. , Wang T. G. , Zhang F. B. , Shen R. F.
Published: June 2021

SDSS J134244.4+053056 is a tidal disruption event candidate with strong temporal coronal line emitters and a long fading, mid-infrared dust echo. We present detailed analyses of X-ray emission from a Swift/XRT observation in 2009 and the most recent XMM-Newton/pn observation in 2020. The two spectra can be modeled with hard and soft components. While no significant variability is detected in the hard component above 2 keV between these two observations, the soft X-ray emission in 0.3–2 keV varies by a factor of ∼5. The luminosity of this soft component fades from ∼1.8 × 1041 to ∼3.7 × 1040 erg s−1 from the observation in Swift to that of XMM-Newton, which are 8 and 19 years after the outburst occurred, respectively. The evolution of luminosity matches with the t−5/3decline law well; there is a soft X-ray peak luminosity of 1044 erg s−1 at the time of the optical flare. Furthermore, the spectra of the soft component harden slightly in the decay phase, in which the photon index Γ varies from 4.8−0.9+1.2 to 3.7 ± 0.5, although they are consistent with each other if we consider the uncertainties. Additionally, by comparing the BH mass estimate between the M − σ correlation, the broad Hα emission, and the fundamental plane relation of BH accretion, we find that a value of ∼105 M⊙ is favored. If so, taking its X-ray spectral variation, luminosity evolution, and further support from theory into account, we suggest that SDSS J134244.4+053056 is a long-lived tidal disruption event candidate lasting more than 18 years with an intermediate-mass black hole.
Disaggregating species unit costs in mixed fisheries: the case of the Irish whitefish fleet
Authors: Curtin Richard
Published: June 2021

Many fishing fleets operate in mixed fisheries where several target species are caught together along with other bycatch species unintentionally caught. In some cases, fleets operate in multiple mixed fisheries depending on various factors such as time of year or current market conditions, among other factors. Data collection in the European Union (EU) involves various levels of detailed data. Economic data is generally collected on an annual time-step whereas other sources provide information at much higher resolution such as the fishing trip (landings declarations), fish day (logbook) or even in real-time (electronic logbook). In this paper a methodology is described to disaggregate the annual cost of a fleet segment into a cost per fishery and per species within the fishery. This information is of interest as it permits incorporation of the economic implications of fishery dynamics into fisheries management. Assessment of these unit costs on a fishery basis also allows accurate input into value chain analysis which is carried out on a species basis.
Dilatancy of frictional granular materials under oscillatory shear with constant pressure
Authors: Ishima Daisuke , Hayakawa Hisao
Published: June 2021

We perform numerical simulations of a two-dimensional frictional granular system under oscillatory shear confined by constant pressure. We found that the system undergoes dilatancy as the strain increases. We confirmed that compaction also takes place at an intermediate strain amplitude for a small mutual friction coefficient between particles. We also found that compaction depends on the confinement pressure while dilatancy little depends on the pressure.
Reproducing laboratory earthquakes with a discrete-continuum model
Authors: Mollon Guilhem , Aubry Jérôme , Schubnel Alexandre
Published: June 2021

We present a novel numerical model allowing to take the best part of continuum-based and discrete modelling in a single framework. This model is applied to the reproduction of laboratory earthquakes in a high-pressure triaxial cell. It allows to represent most of the relevant phenomena at stake, including elastic stress build-up during loading, fast and slow sliding events, seismic waves emission in the surrounding elastic medium and evolution of fault gouge on the sliding interface. We review here some illustrative results obtained with this model and propose further research avenues.
A landslide granular phase transition
Authors: Cerbus Rory T. , Faug Thierry , Kellay Hamid
Published: June 2021

Landslides appear in many different forms and sizes, from devastating debris flows to overly optimistic sand castles. A familiar and well-documented feature of all landslides is the positive correlation between volume and landslide runout. Larger landslides have a greater potential to reach farther. Here we explore the low volume limit and find a surprising negative correlation between volume and landslide runout. A decrease in volume leads to an increase in runout. In a series of experiments we systematically vary the landslide volume to reveal a transition between these two regimes.
Numerical investigation of snowstorm filling
Authors: Safranyik Ferenc , Varga Attila
Published: June 2021

During industrial air preparation, one of the most important issues is the proper moisture content. In vehicle brake systems, compressed air is commonly used, where condensate in the system can lead to serious problems as corrosion, frosting, etc. For avoiding malfunctions, the relative humidity of the media must decrease to 20-40%, by adsorbing its moisture content. To achieve this, air dryer units filled with desiccant granular media is commonly used in railway industry. The compressed air flows through the dryer, thus the particles can bind the water vapour. If the packing density of the desiccant can increase, the efficiency of the dryer can improve. In this paper an interesting method for container filling, the snowstorm technique was investigated and optimized by applying discrete element method. Essence of the device is a rod system placed below the filler bin, which ensures even distribution of the particles. By the numerical analysis it was revealed, the particles’ lateral velocity is increased because of the snowstorm system, but with non-optimal arrangement, the particle flow can be significantly blocked. Based on our systematic analysis, optimal geometry of the particle distribution system was found, which ensures settling more particles by 9.5% into the dryer reservoir.
Quantitative measurement of hopper flow using MRI
Authors: Mehdizad Maral , Fullard Luke , Galvosas Petrik , Holland Daniel
Published: June 2021

To gain fundamental insight into granular flow behaviour, quantitative measurements of velocity and solid fraction are required. The aim of this study is to measure the solid fraction and velocity of 3D granular flows quantitively using a recently developed MRI method. Time-averaged spatial maps of the solid fraction and velocity are obtained for hoppers with wall angles of 30°, 60°, and 90°. From these maps, the mass flow rate of the material was calculated along the height of the hoppers. Excellent agreement was observed between the MRI and gravimetric mass flow rate measurements, confirming the quantitative nature of the measurements. The resulting solid fraction and velocity measurements provide insight into the dynamics of granular flow.
Hydrophobic and raw glass beads flow behavior under different processing conditions
Authors: Enferad Shirin , Pillitteri Salvatore , Lumay Geoffroy , Gaiani Claire , Kiesgen De Richter Sebastien , Marck Michaël , Umbetov Syrym , Vandewalle Nicolas , Jenny Mathieu
Published: June 2021

Controlling the powder flow by the surface properties of the particles as well as understanding their flowability under different processing dynamics are amongst the major challenges of the powder industry. Indeed, handling large quantities needs powders with good flowability, adequate compressibility and few electrostatic charges. We have performed a chemical treatment in order to obtain hydrophobic glass bead and its bulk behavior has been compared with raw glass bead. We characterized flow properties under different processing conditions. Both powders presented similar flow behavior in the free fall measurement, however hydrophobic glass bead showed lower flow behavior under flow with rotating drum. Also, hydrophobic glass bead presented negative and raw glass bead almost zero electrostatic charges.