bluuebunny/crossref_metadata_2025 huggingface dataset:
A new FTIR method for estimating the firing temperature of ceramic bronze-casting moulds from early China
Authors: Yan Bichen , Liu Siran , Chastain Matthew L. , Yang Shugang , Chen Jianli
Published: February 2021

Intricate ceramic bronze-casting moulds are among the most significant archaeological remains found at Bronze Age metallurgical workshops in China. Firing temperature was presumably one of the most important technical factors in mould making. However, it has proven difficult to determine the firing temperatures of excavated moulds using existing analytical methods. This study establishes an innovative new method for using Fourier-transform infrared spectroscopy (FTIR) to estimate the firing temperature of clay-containing remains. The method is based on the finding that the infrared absorptivity of fired clay minerals, measured at the Si–O–Si stretching resonance band, is negatively correlated with firing temperature. Moulds and mould cores dating to the Early Shang period (sixteenth to fourteenth century BCE) are found to have been fired at extremely low temperatures—as low as 200–300 °C in many instances. These results provide critical new data for understanding the metallurgical technology of ancient China.
Enhancement of elastin expression by transdermal administration of sialidase isozyme Neu2
Authors: Minami Akira , Fujita Yuka , Goto Jun , Iuchi Ayano , Fujita Kosei , Mikami Yasuyo , Shiratori Mako , Ishii Ami , Mitragotri Samir , Iwao Yasunori , Kanazawa Hiroaki , Kurebayashi Yuuki , Takahashi Tadanobu , Otsubo Tadamune , Ikeda Kiyoshi , Suzuki Takashi
Published: February 2021

Reduction of elastin in the skin causes various skin diseases as well as wrinkles and sagging with aging. Sialidase is a hydrolase that cleaves a sialic acid residue from sialoglycoconjugate. Cleavage of sialic acid from microfibrils by the sialidase isozyme Neu1 facilitates elastic fiber assembly. In the present study, we showed that a lower layer of the dermis and muscle showed relatively intense sialidase activity. The sialidase activity in the skin decreased with aging. Choline and geranate (CAGE), one of the ionic liquids, can deliver the sialidase subcutaneously while maintaining the enzymatic activity. The elastin level in the dermis was increased by applying sialidase from Arthrobacter ureafaciens (AUSA) with CAGE on the skin for 5 days in rats and senescence-accelerated mice prone 1 and 8. Sialidase activity in the dermis was considered to be mainly due to Neu2 based on the expression level of sialidase isozyme mRNA. Transdermal administration of Neu2 with CAGE also increased the level of elastin in the dermis. Therefore, not only Neu1 but also Neu2 would be involved in elastic fiber assembly. Transdermal administration of sialidase is expected to be useful for improvement of wrinkles and skin disorders due to the loss of elastic fibers.
Structural degradation of tungsten sandwiched in hafnia layers determined by in-situ XRD up to 1520 °C
Authors: Krishnamurthy Gnanavel Vaidhyanathan , Chirumamilla Manohar , Rout Surya Snata , Furlan Kaline P. , Krekeler Tobias , Ritter Martin , Becker Hans-Werner , Petrov Alexander Yu , Eich Manfred , Störmer Michael
Published: February 2021

The high-temperature stability of thermal emitters is one of the critical properties of thermophotovoltaic (TPV) systems to obtain high radiative power and conversion efficiencies. W and HfO2 are ideal due to their high melting points and low vapor pressures. At high temperatures and given vacuum conditions, W is prone to oxidation resulting in instantaneous sublimation of volatile W oxides. Herein, we present a detailed in-situ XRD analysis of the morphological changes of a 3-layer-system: HfO2/W/HfO2 layers, in a high-temperature environment, up to 1520 °C. These samples were annealed between 300 °C and 1520 °C for 6 h, 20 h, and 40 h at a vacuum pressure below 3 × 10–6 mbar using an in-situ high-temperature X-ray diffractometer, which allows investigation of crucial alterations in HfO2 and W layers. HfO2 exhibits polymorphic behavior, phase transformations and anisotropy of thermal expansion leads to formation of voids above 800 °C. These voids serve as transport channels for the residual O2 present in the annealing chamber to access W, react with it and form volatile tungsten oxides. An activation energy of 1.2 eV is calculated. This study clarifies the limits for the operation of W-HfO2 spectrally selective emitters for TPV in high-temperature applications.
Potent neutralization of clinical isolates of SARS-CoV-2 D614 and G614 variants by a monomeric, sub-nanomolar affinity nanobody
Authors: Valenzuela Nieto Guillermo , Jara Ronald , Watterson Daniel , Modhiran Naphak , Amarilla Alberto A. , Himelreichs Johanna , Khromykh Alexander A. , Salinas-Rebolledo Constanza , Pinto Teresa , Cheuquemilla Yorka , Margolles Yago , López González del Rey Natalia , Miranda-Chacon Zaray , Cuevas Alexei , Berking Anne , Deride Camila , González-Moraga Sebastián , Mancilla Héctor , Maturana Daniel , Langer Andreas , Toledo Juan Pablo , Müller Ananda , Uberti Benjamín , Krall Paola , Ehrenfeld Pamela , Blesa Javier , Chana-Cuevas Pedro , Rehren German , Schwefel David , Fernandez Luis Ángel , Rojas-Fernandez Alejandro
Published: February 2021

Despite unprecedented global efforts to rapidly develop SARS-CoV-2 treatments, in order to reduce the burden placed on health systems, the situation remains critical. Effective diagnosis, treatment, and prophylactic measures are urgently required to meet global demand: recombinant antibodies fulfill these requirements and have marked clinical potential. Here, we describe the fast-tracked development of an alpaca Nanobody specific for the receptor-binding-domain (RBD) of the SARS-CoV-2 Spike protein with potential therapeutic applicability. We present a rapid method for nanobody isolation that includes an optimized immunization regimen coupled with VHH libraryE. colisurface display, which allows single-step selection of Nanobodies using a simple density gradient centrifugation of the bacterial library. The selected single and monomeric Nanobody, W25, binds to the SARS-CoV-2 S RBD with sub-nanomolar affinity and efficiently competes with ACE-2 receptor binding. Furthermore, W25 potently neutralizes SARS-CoV-2 wild type and the D614G variant with IC50 values in the nanomolar range, demonstrating its potential as antiviral agent.
Study of the fluorescence and interaction between cyclodextrins and neochlorogenic acid, in comparison with chlorogenic acid
Authors: Navarro-Orcajada Silvia , Matencio Adrián , Vicente-Herrero Cristina , García-Carmona Francisco , López-Nicolás José Manuel
Published: February 2021

Neochlorogenic acid, a less-studied isomer of chlorogenic acid, has been seen to posses antioxidant, antifungal, anti-inflammatory and anticarcinogenic effects, which makes it an interesting candidate for incorporation in functional foods. However, its poor solubility in water and susceptibility to oxidation make such a task difficult. To overcome that, its encapsulation in cyclodextrins (CDs) is proposed. The fluorescence of neochlorogenic acid in different pH conditions was analyzed, and caffeic acid was proved to be the fluorescent moiety in the molecule. An encapsulation model whereby the ligand poses two potential complexation sites (caffeic and D-(-)-quinic moieties), showed that α-CD and HP-β-CD formed the best inclusion complexes with neochlorogenic acid, followed by M-β-CD, β-CD and γ-CD. Molecular docking with the two best CDs gave better scores for α-CD, despite HP-β-CD providing stabilization through H-bonds. The encapsulation of chlorogenic acid led to a similar CD order and scores, although constants were higher for α-CD, β-CD and M-β-CD, lower for HP-β-CD, and negligible for γ-CD. The protonation state affected these results leading to a different order of CD preference. The solubility and the susceptibility to oxidation of neochlorogenic acid improved after complexation with α-CD and HP-β-CD, while the antioxidant activity of both isomers was maintained.
Integrated analysis identifies oxidative stress genes associated with progression and prognosis in gastric cancer
Authors: Wu Zhengyuan , Wang Lin , Wen Zhenpei , Yao Jun
Published: February 2021

Oxidative stress (OS) reactions are reported to be associated with oncogenesis and tumor progression. However, little is known about the potential diagnostic value of OS in gastric cancer (GC). This study identified hub OS genes associated with the prognosis and progression of GC and illustrated the underlying mechanisms. The transcriptome data and corresponding GC clinical information were collected from The Cancer Genome Atlas (TCGA) database. Aberrantly expressed OS genes between tumors and adjacent normal tissues were screened, and 11 prognosis-associated genes were identified with a series of bioinformatic analyses and used to construct a prognostic model. These genes were validated in the Gene Expression Omnibus (GEO) database. Furthermore, weighted gene co-expression network analysis (WGCNA) was subsequently conducted to identify the most significant hub genes for the prediction of GC progression. Analysis revealed that a good prognostic model was constructed with a better diagnostic accuracy than other clinicopathological characteristics in both TCGA and GEO cohorts. The model was also significantly associated with the overall survival of patients with GC. Meanwhile, a nomogram based on the risk score was established, which displayed a favorable discriminating ability for GC. In the WGCNA analysis, 13 progression-associated hub OS genes were identified that were also significantly associated with the progression of GC. Furthermore, functional and gene ontology (GO) analyses were performed to reveal potential pathways enriched with these genes. These results provide novel insights into the potential applications of OS-associated genes in patients with GC.
Effectiveness of a stand-alone, smartphone-based virtual reality exposure app to reduce fear of heights in real-life: a randomized trial
Authors: Bentz Dorothée , Wang Nan , Ibach Merle K. , Schicktanz Nathalie S. , Zimmer Anja , Papassotiropoulos Andreas , de Quervain Dominique J. F.
Published: February 2021

Smartphone-based virtual reality (VR) applications (apps) might help to counter low utilization rates of available treatments for fear of heights. Demonstration of effectiveness in real-life situations of such apps is crucial, but lacking so far. Objective of this study was to develop a stand-alone, smartphone-based VR exposure app—Easy Heights—and to test its effectiveness in a real-life situation. We performed a single-blind, parallel group, randomized controlled trial. We recruited 70 participants with fear of heights, aged 18–60 years. Primary outcome was performance in a real-life Behavioral Avoidance Test (BAT) on a lookout tower after a single 1-h app use (phase 1) and after additional repeated (6 × 30 min) app use at home (phase 2). After phase 2, but not phase 1, participants in theEasy Heightscondition showed significantly higher BAT scores compared to participants in the control condition (Cohen’s d = 1.3,p = 0.0001). Repeated use of our stand-alone, smartphone-based VR exposure app reduces avoidance behavior and fear, providing a low-threshold treatment for fear of heights.
IL36 is a critical upstream amplifier of neutrophilic lung inflammation in mice
Authors: Koss Carolin K. , Wohnhaas Christian T. , Baker Jonathan R. , Tilp Cornelia , Przibilla Michèl , Lerner Carmen , Frey Silvia , Keck Martina , Williams Cara M. M. , Peter Daniel , Ramanujam Meera , Fine Jay , Gantner Florian , Thomas Matthew , Barnes Peter J. , Donnelly Louise E. , El Kasmi Karim C.
Published: February 2021

IL-36, which belongs to the IL-1 superfamily, is increasingly linked to neutrophilic inflammation. Here, we combined in vivo and in vitro approaches using primary mouse and human cells, as well as, acute and chronic mouse models of lung inflammation to provide mechanistic insight into the intercellular signaling pathways and mechanisms through which IL-36 promotes lung inflammation. IL-36 receptor deficient mice exposed to cigarette smoke or cigarette smoke and H1N1 influenza virus had attenuated lung inflammation compared with wild-type controls. We identified neutrophils as a source of IL-36 and show that IL-36 is a key upstream amplifier of lung inflammation by promoting activation of neutrophils, macrophages and fibroblasts through cooperation with GM-CSF and the viral mimic poly(I:C). Our data implicate IL-36, independent of other IL-1 family members, as a key upstream amplifier of neutrophilic lung inflammation, providing a rationale for targeting IL-36 to improve treatment of a variety of neutrophilic lung diseases.
Simultaneous imaging of cancer biomarkers in live cells based on DNA-engineered exosomes
Authors: Chen Meng-Li , He Fang , Yin Bin-Cheng , Ye Bang-Ce
Published: February 2021

Schematic description of the proposed DNA-engineered exosome (DNA-Exo) for dual cancer biomarker imaging.
Visualization of halide perovskite crystal growth processes by in situ heating WAXS measurements
Authors: Nakamura Yuiga , Shibayama Naoyuki , Sugimoto Kunihisa
Published: February 2021

We observed the crystallization dynamics of halide perovskite crystals (CH3NH3PbI3) by in situ heating WAXS measurements.
Synthesis, characterization and biological activity of bis[3-ethyl-4-aryl-5-(2-methoxypyridin-5-yl)-1-propyl-1,3-dihydro-2H-imidazol-2-ylidene]gold(i) complexes
Authors: Gallati Caroline Marie , Goetzfried Sina Katharina , Ortmeier Anna , Sagasser Jessica , Wurst Klaus , Hermann Martin , Baecker Daniel , Kircher Brigitte , Gust Ronald
Published: February 2021

A series of bis[3-ethyl-4-aryl-5-(2-methoxypyridin-5-yl)-1-propyl-1,3-dihydro-2H-imidazol-2-ylidene]gold(i) complexes was synthesized and evaluated for the anti-cancer properties in sensitive and resistant ovarian carcinoma and leukemia cell lines.
Design of pyridinylphosphinate-based blue iridium phosphors for high-efficiency organic light-emitting diodes
Authors: Wu Zheng-Guang , Yang Bing , Qiu Yu-Chen , Wang Yang , Dai Hong , Zheng You-Xuan , Wang Yi , Hu Lanping , Pan Yi
Published: February 2021

Novel design for iridium complexes merging blue emission and good electron mobility for high-efficiency OLEDs.
Comment on “Design and circuit simulation of nanoscale vacuum channel transistors” by J. Xu, Y. Qin, Y. Shi, Y. Yang and X. Zhang, Nanoscale Adv., 2020, 2, 3582
Authors: Forbes Richard G.
Published: February 2021

This comment aims to improve the field electron emission theory in a recent article about nanoscale vacuum transistors.
Advanced analysis of magnetic nanoflower measurements to leverage their use in biomedicine
Authors: Karpavičius Augustas , Coene Annelies , Bender Philipp , Leliaert Jonathan
Published: February 2021

Analysing magnetic nanoflower measurements using Kaczmarz' method offers a nanoscopic view in their complex magnetic behaviour, thereby guiding their optimal use in biomedical applications.
Design of carboxylate-based ionic liquids (ILs) containing OH and CF3 groups; influence of intramolecular hydrogen bonds and inductive effect on the binding energy between the cation and anion of ILs, a DFT study
Authors: Kalhor Sepideh , Fattahi Alireza
Published: February 2021

Ionic liquids, which are widely known as room temperature molten salts, have been the subject of much scientific debate for more than a decade.
Design, synthesis, biological activities and 3D-QSAR studies of quinazolinone derivatives containing hydrazone structural units
Authors: Shao Li-Hui , Fan Si-Li , Meng Ying-Fen , Gan Yi-Yuan , Shao Wu-Bin , Wang Zhen-Chao , Chen Dan-Ping , Ouyang Gui-Ping
Published: February 2021

A series of novel quinazolinone derivatives containing hydrazone structural units were synthesized and their antitumour activities were evaluated.
Chloride-promoted self-assembly and photoluminescence of naphthalene diimides tethered to polyacetylene
Authors: Gao Yuping , Gao Tingting , Wang Liangpeng , Ma Xiaoye , Jin Rizhe , Kang Chuanqing , Gao Lianxun
Published: February 2021

A novel polyacetylene containing naphthalene diimides (NDIs) in the side chains is sensitive to Cl̄ by structural transformation of the polymer backbone and the NDI aggregates along with turning fluorescence emission on.
The suppression of spin–orbit coupling effect by the ZnO layer of La0.7Sr0.3MnO3/ZnO heterostructures grown on (001) oriented Si restores the negative magnetoresistance
Authors: Das Bibekananda , Padhan Prahallad
Published: February 2021

In Si–La0.7Sr0.3MnO3, the interfacial charge transfer driven strong localized antiferromagnetic and spin–orbit couplings favor positive magnetoresistance, which is suppressed by strong magnetic scattering induced by the top ZnO layer results in negative magnetoresistance.
A mono-copper doped undeca-gold cluster with up-converted and anti-stokes emissions of fluorescence and phosphorescence
Authors: Wu Haiming , Fang Ye-Guang , Anumula Rajini , Andrew Gaya N. , Cui Ganglong , Fang Weihai , Luo Zhixun , Yao Jiannian
Published: February 2021

We have synthesized single crystals of a highly stable Cu-doped undeca-gold cluster protected by both triphenylphosphine (PPh3) and 2-pyridinethiol (-SPy) ligands, formulated as [Au11Cu1(PPh3)7(SPy)3]+.
Preparation and conformational analysis of polyproline tri-helix macrocycle nanoscaffolds of varied sizes
Authors: Tsai Chia-Lung , Wu Shao-Yong , Hsu Hung-Kai , Huang Sheng-Bo , Lin Cin-Hao , Chan Yi-Tsu , Wang Sheng-Kai
Published: February 2021

Strain or relax? The characterization of cyclized polyproline nanoscaffolds.
Single-mode lasing of CsPbBr3 perovskite NWs enabled by the Vernier effect
Authors: Li Fangtao , Jiang Mingming , Cheng Yang , Zhang Yufei , Yang Zheng , Peng Yiyao , Ma Wenda , Chen Qiushuo , Wang Chunfeng , Liu Kaihui , Wang Rongming , Lu Junfeng , Pan Caofeng
Published: February 2021

Single-mode lasing was obtained from CsPbBr3 nanowires through designing and fabricating coupled cavities via FIB milling based on the Vernier effect.
B48−: a bilayer boron cluster
Authors: Chen Wei-Jia , Ma Yuan-Yuan , Chen Teng-Teng , Ao Mei-Zhen , Yuan Dao-Fu , Chen Qiang , Tian Xin-Xin , Mu Yue-Wen , Li Si-Dian , Wang Lai-Sheng
Published: February 2021

Photoelectron spectroscopy and theoretical calculations show that the global minimum of the B48−cluster has a bilayer structure, suggesting the viability of bilayer borophenes.
Adsorption of arsenic from aqueous solution using a zero-valent iron material modified by the ionic liquid [Hmim]SbF6
Authors: Wu Fenghui , Zhao Chenyang , Qu Guangfei , Yan Zhoupeng , Zeng Yingda , Chen Bangjin , Hu Yinghui , Ji Wei , Li Yingli , Tang Huimin
Published: February 2021

The environmental and health impacts caused by arsenic (As) in wastewater make it necessary to carefully manage As wastes.
Effect of thermal formation/dissociation cycles on the kinetics of formation and pore-scale distribution of methane hydrates in porous media: a magnetic resonance imaging study
Authors: Vasheghani Farahani Mehrdad , Guo Xianwei , Zhang Lunxiang , Yang Mingzhao , Hassanpouryouzband Aliakbar , Zhao Jiafei , Yang Jinhai , Song Yongchen , Tohidi Bahman
Published: February 2021

A magnetic resonance imaging study was conducted to explore the kinetics and spatial characteristics of the thermally induced methane hydrate formation in both synthetic and natural sediment samples.
Viscosity of polyelectrolyte-grafted nanoparticle solutions
Authors: Medidhi Koteswara Rao , Padmanabhan Venkat
Published: February 2021

The effect of charges and hydrogen bonding on viscosity in solutions containing polyelectrolyte-grafted nanoparticles (PENP) has been investigated using molecular dynamics (MD) simulations.
Diffusion driven nanostructuring of metal–organic frameworks (MOFs) for graphene hydrogel based tunable heterostructures: highly active electrocatalysts for efficient water oxidation
Authors: Sikdar Anirban , Majumdar Abhisek , Gogoi Abhijit , Dutta Pronoy , Borah Munu , Maiti Soumen , Gogoi Chiranjib , Anki Reddy K. , Oh Youngtak , Narayan Maiti Uday
Published: February 2021

Double-stage molecular diffusion control is achieved in an ‘organic-graphene hydrogel’ biphasic system to yield tunable MOF-based functional hydrogel-hybrids, with excellent water oxidation performance (with a low onset potential and Tafel slope of 44.3 mV dec−1).
The development of bifunctional catalysts for carbon dioxide hydrogenation to hydrocarbonsviathe methanol route: from single component to integrated components
Authors: Tan Kok Bing , Zhan Guowu , Sun Daohua , Huang Jiale , Li Qingbiao
Published: February 2021

We review and provide subtantial knowledge on bifunctional catalysts design strategies and development on metal/metal oxide and zeolite components: independently and integrated components for CO2hydrogenation to hydrocarbonsviamethanol route.
Mechanochemical synthesis of novel rutile-type high entropy fluorides for electrocatalysis
Authors: Sukkurji Parvathy Anitha , Cui Yanyan , Lee Seunghwa , Wang Kai , Azmi Raheleh , Sarkar Abhishek , Indris Sylvio , Bhattacharya Subramshu S. , Kruk Robert , Hahn Horst , Wang Qingsong , Botros Miriam , Breitung Ben
Published: February 2021

Novel high entropy ceramics, high entropy fluorides, are introduced. The microstructure and solid solution state of the material are thoroughly characterized. Additionally, promising catalytic activity for oxygen evolution reaction was observed.
A pressure induced reversal to the 9R perovskite in Ba3MoNbO8.5
Authors: Sherwood B. , Ridley C. J. , Bull C. L. , Fop S. , Skakle J. M. S. , McLaughlin A. C. , Wildman E. J.
Published: February 2021

The pressure response of Ba3MoNbO8.5 reveals a structural transformation, which acts to increase the energy barriers to migration along all available transport pathways, and an exceptionally low bulk modulus.
Oxygen vacancies for promoting the electrochemical nitrogen reduction reaction
Authors: Liu Yunliang , Deng Peiji , Wu Ruqiang , Zhang Xiaoli , Sun Chenghua , Li Haitao
Published: February 2021

Recent advances on the detection, preparation and application of oxygen vacancies (OVs) for the electro-nitrogen fixation process with a focus on the generating strategies of OVs, evaluation method and their role in NRR.
Significantly improved conductivity of spinel Co3O4 porous nanowires partially substituted by Sn in tetrahedral sites for high-performance quasi-solid-state supercapacitors
Authors: Chen Yunjian , Zhu Jia , Wang Ni , Cheng Huanyu , Tang Xianzhong , Komarneni Sridhar , Hu Wencheng
Published: February 2021

The partial substitution of Sn in spinel-structured Co3O4 exhibits excellent electrochemical performance, including good electrical conductivity, high energy density, power density and cycling retention, as a positive electrode for supercapacitors.
Conjugated cyclized-polyacrylonitrile encapsulated carbon nanotubes as core–sheath heterostructured anodes with favorable lithium storage
Authors: Liu Qian , Xiao Zongying , Cui Xun , Deng Shuyi , He Qiming , Zhang Qing , Lin Zhiqun , Yang Yingkui
Published: February 2021

Conjugated cyclized-polyacrylonitrile encapsulated conductive carbon nanotubes to form highly redox-active sheath–core heterostructured anodes with superior lithium storage capability.
Increasing antibiotic activity by rapid bioorthogonal conjugation of drug to resistant bacteria using an upconverted light-activated photocatalyst
Authors: Du Quanchao , Wu Xiangyang , Bi Wuguo , Xing Bengang , Yeow Edwin K. L.
Published: February 2021

A NIR-light activated upconversion nanocrystal transfers energy to dye molecules that photocatalyze the bioorthogonal conjugation of the antibiotic to drug-resistant bacteria for enhanced treatment efficacy.
A transformable gold nanocluster aggregate-based synergistic strategy for potentiated radiation/gene cancer therapy
Authors: Wu Chun , Du Xuancheng , Jia Bingqing , Zhang Chengmei , Li Weifeng , Liu Tian-Cai , Li Yong-Qiang
Published: February 2021

A transformable gold nanocluster aggregate-based synergistic strategy for a potentiated cancer radiation/gene therapy is presented.
Bis(4-dialkylaminophenyl)heteroarylamino donor chromophores exhibiting exceptional hyperpolarizabilities
Authors: Xu Huajun , Johnson Lewis E. , de Coene Yovan , Elder Delwin L. , Hammond Scott. R. , Clays Koen , Dalton Larry R. , Robinson Bruce H.
Published: February 2021

Theory-guided design enables new organic electro-optic (OEO) materials with record hyperpolarizability and high electro-optic activity.
Dualversusnormal TADF of pyridines ornamented with multiple donor moieties and their performance in OLEDs
Authors: Arsenyan Pavel , Vigante Brigita , Leitonas Karolis , Volyniuk Dmytro , Andruleviciene Viktorija , Skhirtladze Levani , Belyakov Sergey , Grazulevicius Juozas Vidas
Published: February 2021

Pyridine ring in novel dicyanopyridines exists in a twist-conformation in solid state. Green and orange OLEDs with 3,6-di-tert-butyl-carbazole-containing emitter exhibiting normal TADF, showed high maximum EQE of 25%.
Building up cyclodextrins from scratch – templated enzymatic synthesis of cyclodextrins directly from maltose
Authors: Larsen Dennis , Beeren Sophie R.
Published: February 2021

Template-induced kinetic trapping of specific cyclodextrins in enzyme-mediated dynamic combinatorial libraries of linear and cyclic α-glucans enables the one-step synthesis of cyclodextrins from maltose in water.
Zinc oxide rod/peanut shell-derived porous carbon composites for cooperative CO2 chemical fixation
Authors: Ding Meili , Liu Xi , Yao Jianfeng
Published: February 2021

A ZnO/biowaste-derived porous carbon composite exhibits admirable activity and selectivity in the cycloaddition of epoxides with CO2 under mild conditions.
Dual-functional ionic porous organic framework for palladium scavenging and heterogeneous catalysis
Authors: Qin Shun-Shun , Wang Ze-Kun , Hu Lei , Du Xing-Hao , Wu Zheng , Strømme Maria , Zhang Qian-Feng , Xu Chao
Published: February 2021

The ionic covalent organic framework shows excellent scavenging ability towards [PdCl4]2−in aqueous solutionviaan ion exchange process. The loaded [PdCl4]2−can be further reduced into Pd nanoparticles for catalyzing Suzuki coupling reactions.
Direct transformation of raw biomass into a Fe–Nx–C single-atom catalyst for efficient oxygen reduction reaction
Authors: Wu Danyang , Liu Wei , Hu Jinwen , Zhu Chao , Jing Hongyu , Zhang Jiangwei , Hao Ce , Shi Yantao
Published: February 2021

A C-SACs with the atomic dispersion of Fe–N4 sites has been prepared by the direct transformation of pig liver via the molten-salt-assisted pyrolysis.
Correction: Self-assembly of bovine serum albumin (BSA)–dextran bio-nanoconjugate: structural, antioxidant and in vitro wound healing studies
Authors: Rohiwal Sonali S. , Ellederova Z. , Tiwari Arpita P. , Alqarni Mohammed , Elazab Sara T. , El-Saber Batiha Gaber , Pawar Shivaji H. , Thorat Nanasaheb D.
Published: February 2021

Correction for ‘Self-assembly of bovine serum albumin (BSA)–dextran bio-nanoconjugate: structural, antioxidant and in vitro wound healing studies’ by Sonali S. Rohiwal et al., RSC Adv., 2021, 11, 4308–4317, DOI: 10.1039/D0RA09301G.
Light-control of cap methylation and mRNA translation via genetic code expansion of Ecm1
Authors: Reichert Dennis , Mootz Henning D. , Rentmeister Andrea
Published: February 2021

A tyrosine in the active site of the 5′ cap methyltransferase Ecm1 was photocaged. Translation of mRNA could be triggered by light in eukaryotic cell lysate.
Revisiting the nanocrystal formation process of zero-dimensional perovskite
Authors: Wang Xiaojia , Liu Yeqi , Liu Nianqiao , Sun Ruijia , Zheng Wei , Liu Hong , Zhang Yuhai
Published: February 2021

An in situ photoluminescence monitoring system was designed to probe the nanocrystal formation process of Cs4PbBr6 perovskite with a temporal resolution down to 200 ms, whereby an elusive “black spot” was found strongly correlated to green emission.
Alkaline salt-promoted construction of hydrophilic and nitrogen deficient graphitic carbon nitride with highly improved photocatalytic efficiency
Authors: Chen Hao , Wang Wuyou , Yang Zhenzhen , Suo Xian , Lu Ziyang , Xiao Weiming , Dai Sheng
Published: February 2021

Graphitic carbon nitride possesses fascinating merits, but its practical applications are limited by the inferior properties of limited visible-light sorption, rapid recombination of photo-excited charge carriers and low electrical conductivity.
Revealing Candida glabrata biofilm matrix proteome: global characterization and pH response
Authors: Gonçalves Bruna , Azevedo Nuno , Osório Hugo , Henriques Mariana , Silva Sónia
Published: February 2021

Candida glabrata is a clinically relevant human pathogen with the ability to form high recalcitrant biofilms that contribute to the establishment and persistence of infection. A defining trait of biofilms is the auto-produced matrix, which is suggested to have structural, virulent and protective roles. Thus, elucidation of matrix components, their function and modulation by the host environment is crucial to disclose their role in C. glabrata pathogenesis. As a major step toward this end, this study aimed to reveal, for the first time, the matrix proteome of C. glabrata biofilms, to characterize it with bioinformatic tools and to study its modulation by the environmental pH (acidic and neutral). The results showed the presence of several pH-specific matrix proteins (51 acidic- and 206 neutral-specific) and also proteins commonly found at both pH conditions (236). Of note, several proteins related to mannan and β-glucan metabolism, which have a potential role in the delivery/organization of carbohydrates in the matrix, were found in both pH conditions but in much higher quantity under the neutral environment. Additionally, several virulence-related proteins, including epithelial adhesins, yapsins and moonlighting enzymes, were found among matrix proteins. Importantly, several proteins seem to have a non-canonical secretion pathway and Pdr1 was found to be a potential regulator of matrix proteome. Overall, this study indicates a relevant impact of environmental cues in the matrix proteome and provides a unique resource for further functional investigation of matrix proteins, contributing to the identification of potential targets for the development of new therapies against C. glabrata biofilms.
Consequences of NaCT/SLC13A5/mINDY deficiency: good versus evil, separated only by the blood–brain barrier
Authors: Kopel Jonathan J. , Bhutia Yangzom D. , Sivaprakasam Sathish , Ganapathy Vadivel
Published: February 2021

NaCT/SLC13A5 is a Na+-coupled transporter for citrate in hepatocytes, neurons, and testes. It is also called mINDY (mammalian ortholog of ‘I'm Not Dead Yet’ in Drosophila). Deletion of Slc13a5 in mice leads to an advantageous phenotype, protecting against diet-induced obesity, and diabetes. In contrast, loss-of-function mutations in SLC13A5 in humans cause a severe disease, EIEE25/DEE25 (early infantile epileptic encephalopathy-25/developmental epileptic encephalopathy-25). The difference between mice and humans in the consequences of the transporter deficiency is intriguing but probably explainable by the species-specific differences in the functional features of the transporter. Mouse Slc13a5 is a low-capacity transporter, whereas human SLC13A5 is a high-capacity transporter, thus leading to quantitative differences in citrate entry into cells via the transporter. These findings raise doubts as to the utility of mouse models to evaluate NaCT biology in humans. NaCT-mediated citrate entry in the liver impacts fatty acid and cholesterol synthesis, fatty acid oxidation, glycolysis, and gluconeogenesis; in neurons, this process is essential for the synthesis of the neurotransmitters glutamate, GABA, and acetylcholine. Thus, SLC13A5 deficiency protects against obesity and diabetes based on what the transporter does in hepatocytes, but leads to severe brain deficits based on what the transporter does in neurons. These beneficial versus detrimental effects of SLC13A5 deficiency are separable only by the blood-brain barrier. Can we harness the beneficial effects of SLC13A5 deficiency without the detrimental effects? In theory, this should be feasible with selective inhibitors of NaCT, which work only in the liver and do not get across the blood-brain barrier.
Association between microRNA-146a, -499a and -196a-2 SNPs and non-small cell lung cancer: a case–control study involving 2249 subjects
Authors: Qiu Hao , Xie Zhiqiang , Tang Weifeng , Liu Chao , Wang Yafeng , Gu Haiyong , Zheng Qingfeng
Published: February 2021

MicroRNA (miR) acts as a negative regulator of gene expression. Many literatures have suggested that miRs may be involved in the process of cell proliferation, inflammation, oxidative stress, energy metabolism and epithelial–mesenchymal transition. Thus, miRs may be implicated in the occurrence of non-small cell lung cancer (NSCLC). In the current investigation, we included 2249 subjects (1193 NSCLC patients and 1056 controls) and designed a study to identify the relationship of miR-146a rs2910164 C/G, -499a rs3746444 A/G and -196a-2 rs11614913 T/C with the risk of NSCLC. The risk factors (e.g., body mass index (BMI), sex, smoking, drinking and age) was used to adjust the odds ratios (ORs) and 95% confidence intervals (CIs). After conducting a power value assessment, we did not confirm that the miR-single nucleotide polymorphisms (SNPs) genotypic distributions were different in NSCLC cases and controls. However, the association of miR-196a-2 rs11614913 with a decreased risk of NSCLC was identified in the female subgroup (adjusted P=0.005, power = 0.809 for TC vs. TT, and adjusted P=0.004, power = 0.849 for CC/TC vs. TT). In addition, gene–gene interaction analysis showed that rs11614913 TC/3746444 AA and rs11614913 CC/rs3746444 AA could also reduce the susceptibility to NSCLC (rs11614913 TC/rs3746444 AA vs. rs11614913 TT/rs3746444 AA, P=0.001, power = 0.912 and rs11614913 CC/rs3746444 AA vs. rs11614913 TT/rs3746444 AA, P=0.003, power = 0.836). In conclusion, in overall comparisons, we did not confirm that the rs2910164, rs3746444, and rs11614913 SNPs genotypic distributions were different in NSCLC cases and controls. However, this case–control study demonstrates that miR-196a-2 rs11614913 may be a protective factor for the development of NSCLC among female patients.
Advances in modelling the human microbiome–gut–brain axis in vitro
Authors: Moysidou Chrysanthi-Maria , Owens Róisín M.
Published: February 2021

The human gut microbiome has emerged as a key player in the bidirectional communication of the gut–brain axis, affecting various aspects of homeostasis and pathophysiology. Until recently, the majority of studies that seek to explore the mechanisms underlying the microbiome–gut–brain axis cross-talk, relied almost exclusively on animal models, and particularly gnotobiotic mice. Despite the great progress made with these models, various limitations, including ethical considerations and interspecies differences that limit the translatability of data to human systems, pushed researchers to seek for alternatives. Over the past decades, the field of in vitro modelling of tissues has experienced tremendous growth, thanks to advances in 3D cell biology, materials, science and bioengineering, pushing further the borders of our ability to more faithfully emulate the in vivo situation. The discovery of stem cells has offered a new source of cells, while their use in generating gastrointestinal and brain organoids, among other tissues, has enabled the development of novel 3D tissues that better mimic the native tissue structure and function, compared with traditional assays. In parallel, organs-on-chips technology and bioengineered tissues have emerged as highly promising alternatives to animal models for a wide range of applications. Here, we discuss how recent advances and trends in this area can be applied in host–microbe and host–pathogen interaction studies. In addition, we highlight paradigm shifts in engineering more robust human microbiome-gut-brain axis models and their potential to expand our understanding of this complex system and hence explore novel, microbiome-based therapeutic approaches.
Computational investigations of allostery in aromatic amino acid biosynthetic enzymes
Authors: Jiao Wanting
Published: February 2021

Allostery, in which binding of ligands to remote sites causes a functional change in the active sites, is a fascinating phenomenon observed in enzymes. Allostery can occur either with or without significant conformational changes in the enzymes, and the molecular basis of its mechanism can be difficult to decipher using only experimental techniques. Computational tools for analyzing enzyme sequences, structures, and dynamics can provide insights into the allosteric mechanism at the atomic level. Combining computational and experimental methods offers a powerful strategy for the study of enzyme allostery. The aromatic amino acid biosynthesis pathway is essential in microorganisms and plants. Multiple enzymes involved in this pathway are sensitive to feedback regulation by pathway end products and are known to use allostery to control their activities. To date, four enzymes in the aromatic amino acid biosynthesis pathway have been computationally investigated for their allosteric mechanisms, including 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase, anthranilate synthase, chorismate mutase, and tryptophan synthase. Here we review the computational studies and findings on the allosteric mechanisms of these four enzymes. Results from these studies demonstrate the capability of computational tools and encourage future computational investigations of allostery in other enzymes of this pathway.
Beyond X-rays: an overview of emerging structural biology methods
Authors: Schaffer Jason E. , Kukshal Vandna , Miller Justin J. , Kitainda Vivian , Jez Joseph M.
Published: February 2021

Structural biologists rely on X-ray crystallography as the main technique for determining the three-dimensional structures of macromolecules; however, in recent years, new methods that go beyond X-ray-based technologies are broadening the selection of tools to understand molecular structure and function. Simultaneously, national facilities are developing programming tools and maintaining personnel to aid novice structural biologists in de novo structure determination. The combination of X-ray free electron lasers (XFELs) and serial femtosecond crystallography (SFX) now enable time-resolved structure determination that allows for capture of dynamic processes, such as reaction mechanism and conformational flexibility. XFEL and SFX, along with microcrystal electron diffraction (MicroED), help side-step the need for large crystals for structural studies. Moreover, advances in cryogenic electron microscopy (cryo-EM) as a tool for structure determination is revolutionizing how difficult to crystallize macromolecules and/or complexes can be visualized at the atomic scale. This review aims to provide a broad overview of these new methods and to guide readers to more in-depth literature of these methods.
Neuronal Signaling: A reflection on the Biochemical Society’s newest journal and an exciting outlook on its next steps
Authors: Sullivan Aideen M. , Stanford S. Clare
Published: February 2021

The inaugural Editor-in-Chief of Neuronal Signaling, Aideen M. Sullivan, reflects on the journal’s journey so far and welcomes the new Editor-in-Chief, Clare Stanford, as she shares some of the exciting initiatives and plans for its future.
Advanced squirrel algorithm‐trained neural network for efficient spectrum sensing in cognitive radio‐based air traffic control application
Authors: Eappen Geoffrey , Shankar T. , Nilavalan Rajagopal
Published: February 2021

In the current scenario, there is a drastic increase in air traffic. The air to ground communication plays a crucial role in the air traffic control system. There is a limited spectrum available for aircraft to establish a connection with the Air Traffic Controller (ATC). With air traffic growth, the available spectrum is getting more congested. This paper proposed an Advanced Squirrel Algorithm (ASA)‐trained neural network (NN) for efficient spectrum sensing for cognitive radio‐based air traffic control applications. ASA is a novel metaheuristic‐based training algorithm for an NN. With the proposed algorithm, it is possible to dynamically allocate the unused spectrum for air to ground communication between aircraft and ATC. The quantitative analysis of the proposed ASA‐NN‐based spectrum sensing is done by comparing it with the existing metaheuristic‐based NN training algorithms, namely, particle swarm optimization Gravitational Search Algorithm (PSOGSA), particle swarm optimization (PSO), gravitational search algorithm (GSA), and artificial bee colony (ABC). Simulation‐based evaluation shows that the proposed ASA‐NN is capable of efficiently detecting the spectrum holes with high convergence rate as compared to PSOGSA‐, PSO‐, GSA‐, and ABC‐based algorithms.
Application of grey wolf optimisation algorithm in parameter calculation of overhead transmission line system
Authors: Shaikh Muhammad Suhail , Hua Changchun , Jatoi Munsif Ali , Ansari Muhammad Mohsin , Qader Aleem Ahmed
Published: February 2021

The transmission line is the main component in the power system consisting of inductance, capacitance, and resistance. These parameters are important during the transmission line design. This research work applies a novel optimisation technique, grey wolf optimisation (GWO), to calculate the overhead transmission line parameter. The best optimal value is estimated with the control variables. Furthermore, the effect of different bundle conductors, that is, two, three, and four bundle conductors, radius, and spacing between the conductors on the transmission line is also analysed. GWO is a recently developed nature‐inspired meta‐heuristic algorithm. Single‐phase and three‐phase transmission line test systems have been adopted for testing purposes. The proposed algorithm is inspired by the command hierarchy and hunting system of grey wolves. The algorithm is applied to 14 benchmark optimisation functions with dimension and number of search agents. The results of the GWO algorithms are optimised and are superior as compared to previously applied algorithms. The proposed algorithm achieved the best optimal solutions for most of these functions that have been validated statistically. From the results, it is identified that the proposed algorithm is computationally efficient and performs significantly better in terms of accuracy, robustness, and convergence speed.
Characterization of a resonant capacitively coupled wireless power transfer system for communication purposes at 6 MHz
Authors: Belau Semion , Domingos Fabiano C. , Vital de Campos de Freitas Susanna , Mirzavand Rashid , Mousavi Pedram
Published: February 2021

This work characterizes a wireless power transmission (WPT) system operating at the 6 MHz frequency band for wireless information transfer purposes. To perform the characterization, the channel is modelled using its 2‐port network scattering parameters. Then, a long string of symbols encoded with on–off keying and modified Miller encoding is passed through the channel model at various data rates. The original data is recovered from the channel output signal using a software‐defined receiver. Bit error rate curves and eye diagrams are created for each encoding scheme and data rate. To verify the simulated results, the aforementioned data strings are transferred through the actual WPT system and output signals are post‐processed in the digital domain with the same software‐defined receiver. For comparison purposes, the performance of the WPT channel is compared to that of a conventional wireless communication channel with a flat additive white Gaussian noise model. The simulation and measurement results demonstrate that the provided WPT system can be used for data transfer with an acceptable error rate.
A novel de‐noising method based on coherence average for ultrasonic signal of partial discharge in transformer
Authors: Cheng Jiangrong , Xu Yuan , Ding Dengwei , Liu Weidong
Published: February 2021

Ultrasonic method is widely used for the detection and location of partial discharge (PD) in transformer, however, the measured ultrasonic signal is usually corrupted by noise, and sometimes is even buried by noise entirely. Therefore, the de‐noising of the measured signal is essential. Conventional de‐nosing methods, such as wavelet method and singular value decomposition (SVD) method, generally require empirical parameter selection or estimation, and the best parameters for de‐noising vary with the PD source and noise condition, which will bring some limitation to their applicability. More importantly, conventional de‐noising methods usually have poor performance for the low signal‐to‐noise‐ratio (SNR) signals. To improve this problem, the paper proposes a de‐noising method based on coherence average for the ultrasonic signal. The de‐noising performance of the proposed method is evaluated based on a comparison with conventional methods, the results indicate that the proposed method has great de‐noising effect for the ultrasonic signals, even for the low‐SNR signals. Besides, the proposed method is free from empirical parameter selection or estimation, which can make its applicability more extensive. The proposed method can offer a practical and effective solution to the de‐noising of ultrasonic signal of PD in transformer.
Genetic variation of Parapenaeopsis sculptilis (Decapoda, Penaeidae) and reassessment of the phylogenetic relationships within the genus Parapenaeopsis based on mitochondrial DNA variation
Authors: Mahbub Alam M. M. , Pálsson Snæbjörn
Published: February 2021

The genus Parapenaeopsis is an important group of marine shrimps for wild capture in the Indo-West Pacific region. Phylogenetics of penaeid shrimps is still a debatable issue. This study focuses on the phylogenetic relationships among seven species within the genus Parapenaeupsis, the population genetic variation of Parapenaeupsis sculptilis along Bangladesh coastline of the Bay of Bengal and the phylogeography of P. sculptilis in the Indian Ocean region by analysing cytochrome oxidase subunit 1 barcode (CO1) sequence. No population structure was detected in P. sculptilis collected from two sampling sites along the Bangladesh coastline (AMOVA and Φ
ST = ‑0.014, p > 0.05; F
ST = 0.061, p = 0.04), which expanded first around 73 (CI: 36‑119) kyr ago. The genealogical relationships in Bangladesh P. sculptilis population are shallow with haplotype diversity (h) of 0.58 and nucleotide diversity (π) of 0.0014. The different P. sculptilis samples from Bangladesh, India and Mozambique of the Indian Ocean revealed connectivity between western Indian Ocean and the Bay of Bengal. The phylogeny within the genus Parapenaeupsis showed a polyphyletic relationships for P. hardickwii and its taxonomy needs to be reevaluated. The study will help for genetic upgradation in aquaculture and monitoring of the population genetic diversity of P. sculptilis.
Progress and perspective on advanced cloaking metasurfaces: from invisibility to intelligent antennas
Authors: Vellucci Stefano , Monti Alessio , Barbuto Mirko , Toscano Alessandro , Bilotti Filiberto
Published: February 2021

Among the different cloaking applications proposed in the literature, the antenna framework has emerged as one of the most fruitful and mature field. In particular, mantle cloaking approach has proven to be a powerful tool for enabling unprecedented possibilities in antenna design. Here, we provide a review of the most significant works in the field of electromagnetic invisibility for antenna applications, demonstrating the versatility of cloaking metasurfaces in antenna scenarios. We also discuss our recent results and investigations on the design of advanced cloaking metasurfaces equipped with electronic components and circuits and able enriching the antenna intelligence.