bluuebunny/crossref_metadata_2025 huggingface dataset:
Future directions on low-energy radiation dosimetry
Authors: Massillon-JL G.
Published: May 2021

For more than one century, low-energy (< 100 keV) photons (x-rays and gamma) have been widely used in different areas including biomedical research and medical applications such as mammography, fluoroscopy, general radiography, computed tomography, and brachytherapy treatment, amongst others. It has been demonstrated that most of the electrons produced by low photon energy beams have energies below 10 keV. However, the physical processes by which these low energy electrons interact with matter are not yet well understood. Besides, it is generally assumed that all the energy deposited within a dosimeter sensitive volume is transformed into a response. But such an assumption could be incorrect since part of the energy deposited might be used to create defects or damages at the molecular and atomic level. Consequently, the relationship between absorbed dose and dosimeter response can be mistaken. During the last few years, efforts have been made to identify models that allow to understand these interaction processes from a quantum mechanical point of view. Some approaches are based on electron-beam − solid-state-interaction models to calculate electron scattering cross-sections while others consider the density functional theory method to localize low energy electrons and evaluate the energy loss due to the creations of defects and damages in matter. The results obtained so far could be considered as a starting point. This paper presents some methodologies based on fundamental quantum mechanics which can be considered useful for dealing with low-energy interactions.
Prediction of population behavior of Listeria monocytogenes in food using machine learning and a microbial growth and survival database
Authors: Hiura Satoko , Koseki Shige , Koyama Kento
Published: May 2021

In predictive microbiology, statistical models are employed to predict bacterial population behavior in food using environmental factors such as temperature, pH, and water activity. As the amount and complexity of data increase, handling all data with high-dimensional variables becomes a difficult task. We propose a data mining approach to predict bacterial behavior using a database of microbial responses to food environments.Listeria monocytogenes, which is one of pathogens, population growth and inactivation data under 1,007 environmental conditions, including five food categories (beef, culture medium, pork, seafood, and vegetables) and temperatures ranging from 0 to 25 °C, were obtained from the ComBase database (www.combase.cc). We used eXtreme gradient boosting tree, a machine learning algorithm, to predict bacterial population behavior from eight explanatory variables: ‘time’, ‘temperature’, ‘pH’, ‘water activity’, ‘initial cell counts’, ‘whether the viable count is initial cell number’, and two types of categories regarding food. The root mean square error of the observed and predicted values was approximately 1.0 log CFU regardless of food category, and this suggests the possibility of predicting viable bacterial counts in various foods. The data mining approach examined here will enable the prediction of bacterial population behavior in food by identifying hidden patterns within a large amount of data.
Increasing the number of topological nodal lines in semimetals via uniaxial pressure
Authors: Fumega Adolfo O. , Pardo Victor , Cortijo A.
Published: May 2021

The application of pressure has been demonstrated to induce intriguing phase transitions in topological nodal-line semimetals. In this work we analyze how uniaxial pressure affects the topological character of BaSn$$_2$$

2

, a Dirac nodal-line semimetal in the absence of spin-orbit coupling. Using calculations based on the density functional theory and a model tight-binding Hamiltonian, we find the emergence of a second nodal line for pressures higher than 4 GPa. We examine the topological features of both phases demonstrating that a nontrivial character is present in both of them. Thus, providing evidence of a topological-to-topological phase transition in which the number of topological nodal lines increases. The orbital overlap increase between Ba $$d_{xz}$$

d

xz

and $$d_{yz}$$

d

yz

orbitals and Sn $$p_z$$

p
z

orbitals and the preservation of crystal symmetries are found to be responsible for the advent of this transition. Furthermore, we pave the way to experimentally test this kind of transition by obtaining a topological relation between the zero-energy modes that arise in each phase when a magnetic field is applied.
Assessment of select synthetic cannabinoid receptor agonist bias and selectivity between the type 1 and type 2 cannabinoid receptor
Authors: Zagzoog Ayat , Brandt Asher L. , Black Tallan , Kim Eunhyun D. , Burkart Riley , Patel Mikin , Jin Zhiyun , Nikolaeva Maria , Laprairie Robert B.
Published: May 2021

The first synthetic cannabinoid receptor agonists (SCRAs) were designed as tool compounds to study the endocannabinoid system’s two predominant cannabinoid receptors, CB1R and CB2R. Unfortunately, novel SCRAs now represent the most rapidly proliferating novel psychoactive substances (NPS) of abuse globally. Unlike ∆9-tetrahydrocannabinol, the CB1R and CB2R partial agonist and the intoxicating constituent of Cannabis, many SCRAs characterized to date are full agonists of CB1R. Gaining additional insight into the pharmacological activity of these SCRAs is critical to assess and regulate NPSs as they enter the marketplace. The purpose of this study was to assess select SCRAs recently identified by Canadian police, border service agency, private companies and the illicit market as potential CB1R and CB2R agonists. To this end, fifteen SCRAs were screened for in vitro activity and in silico interactions at CB1R and CB2R. Several SCRAs were identified as being highly biased for cAMP inhibition or βarrestin2 recruitment and receptor subtype selectivity between CB1R and CB2R. The indazole ring and halogen-substituted butyl or pentyl moieties were identified as two structural features that may direct βarrestin2 bias. Two highly-biased SCRAs—JWH-018 2′-napthyl-N-(3-methylbutyl) isomer (biased toward cAMP inhibition) and 4-fluoro MDMB-BINACA (biased toward βarrestin2 recruitment) displayed unique and differential in vivo activity in mice. These data provide initial insight into the correlations between structure, signalling bias, and in vivo activity of the SCRAs.
The effect of liraglutide and sitagliptin on oxidative stress in persons with type 2 diabetes
Authors: Sivalingam Suvanjaa , Larsen Emil List , van Raalte Daniel H. , Muskiet Marcel H. A. , Smits Mark M. , Tonneijck Lennart , Joles Jaap A. , von Scholten Bernt Johan , Zobel Emilie Hein , Persson Frederik , Henriksen Trine , Diaz Lars Jorge , Hansen Tine W. , Poulsen Henrik Enghusen , Rossing Peter
Published: May 2021

Glucagon-like peptide 1 receptor agonists have shown cardioprotective effects which have been suggested to be mediated through inhibition of oxidative stress. We investigated the effect of treatment with a glucagon-like peptide 1 receptor agonist (liraglutide) on oxidative stress measured as urinary nucleic acid oxidation in persons with type 2 diabetes. Post-hoc analysis of two independent, randomised, placebo-controlled and double-blinded clinical trials. In a cross-over study where persons with type 2 diabetes and microalbuminuria (LIRALBU, n = 32) received liraglutide (1.8 mg/day) or placebo for 12 weeks in random order, separated by 4 weeks of wash-out. In a parallel-grouped study where obese persons with type 2 diabetes (SAFEGUARD, n = 56) received liraglutide (1.8 mg/day), sitagliptin (100 mg/day) or placebo for 12 weeks. Endpoints were changes in the urinary markers of DNA oxidation (8-oxo-7,8-dihydro-2′-deoxyguanosine (8-oxodG)) and RNA oxidation [8-oxo-7,8-dihydroguanosine (8-oxoGuo)]. In LIRALBU, we observed no significant differences between treatment periods in urinary excretion of 8-oxodG [0.028 (standard error (SE): 0.17] nmol/mmol creatinine, p = 0.87) or of 8-oxoGuo [0.12 (0.12) nmol/mmol creatinine, p = 0.31]. In SAFEGUARD, excretion of 8-oxodG was not changed in the liraglutide group [2.8 (− 8.51; 15.49) %, p = 0.62] but a significant decline was demonstrated in the placebo group [12.6 (− 21.3; 3.1) %, p = 0.02], resulting in a relative increase in the liraglutide group compared to placebo (0.16 nmol/mmol creatinine, SE 0.07, p = 0.02). Treatment with sitagliptin compared to placebo demonstrated no significant difference (0.07 (0.07) nmol/mmol creatinine, p = 0.34). Nor were any significant differences for urinary excretion of 8-oxoGuo liraglutide vs placebo [0.09 (SE: 0.07) nmol/mmol creatinine, p = 0.19] or sitagliptin vs placebo [0.07 (SE: 0.07) nmol/mmol creatinine, p = 0.35] observed. This post-hoc analysis could not demonstrate a beneficial effect of 12 weeks of treatment with liraglutide or sitagliptin on oxidatively generated modifications of nucleic acid in persons with type 2 diabetes.
Air-stable 18-electron adducts of Schrock catalysts with tuned stability constants for spontaneous release of the active species
Authors: Gulyás Henrik , Hayano Shigetaka , Madarász Ádám , Pápai Imre , Szabó Márk , Bucsai Ágota , Martin Eddy , Benet-Buchholz Jordi
Published: May 2021

Schrock alkylidenes are highly versatile, very active olefin metathesis catalysts, but their pronounced sensitivity to air still hinders their applications. Converting them into more robust but inactive 18-electron adducts was suggested previously to facilitate their handling. Generating the active species from the inactive adducts, however, required a high-temperature Lewis acid treatment and resulted in an insoluble by-product, limiting the practicality of the methodology. Herein, we introduce an approach to circumvent the inconvenient, costly, and environmentally taxing activation process. We show that 18-electron adducts of W- and Mo-based Schrock catalysts with finite stability constants (typically K = 200–15,000 M−1) can readily be prepared and isolated in excellent yields. The adducts display enhanced air-stability in the solid state, and in solution they dissociate spontaneously, hence liberating the active alkylidenes without chemical assistance.
Exploring AdaBoost and Random Forests machine learning approaches for infrared pathology on unbalanced data sets
Authors: Tang Jiayi , Henderson Alex , Gardner Peter
Published: May 2021

AdaBoost and Random Forests machine learning methods are compared using infrared hyperspectral images of breast cancer tissue with unbalanced class sizes. AdaBoost outperforms Random Forests for small spectral numbers and large class imbalance.
2D-Material-integrated hydrogels as multifunctional protective skins for soft robots
Authors: Jing Lin , Hsiao Li-Yin , Li Shuo , Yang Haitao , Ng Patricia Li Ping , Ding Meng , Truong Tien Van , Gao Si-Ping , Li Kerui , Guo Yong-Xin , Valdivia y Alvarado Pablo , Chen Po-Yen
Published: May 2021

A soft robotic skin system composed of 2D materials and hydrogel with skin-mimicking multifunctionality, including stretchability, thermoregulation, threat protection, and strain sensing, is developed.
The effect of surface-capping oleic acid on the optical properties of lanthanide-doped nanocrystals
Authors: Li Renfu , Fang Xiaodie , Ren Jilou , Chen Baojun , Yuan Xiaoyun , Pan Xuechun , Zhang Peng , Zhang Lantian , Tu Datao , Fang Zhenlan , Chen Xueyuan , Ju Qiang
Published: May 2021

The presence of OA on the surface exerted an effect on the optical properties of lanthanide-doped nanocrystals, but a dissimilar variation was observed for nanocrystals in solid state or colloidal solution.
Quantifying thermal transport in buried semiconductor nanostructures via cross-sectional scanning thermal microscopy
Authors: Spièce Jean , Evangeli Charalambos , Robson Alexander J. , El Sachat Alexandros , Haenel Linda , Alonso M. Isabel , Garriga Miquel , Robinson Benjamin J. , Oehme Michael , Schulze Jörg , Alzina Francesc , Sotomayor Torres Clivia , Kolosov Oleg V.
Published: May 2021

A unique sample polishing technique and scanning thermal microscopy were combined to quantify with few nm resolution the thermal conductance and local thermal conductivity of complex multilayer nanostructures.
Glucose oxidase decorated fluorescent metal–organic frameworks as biomimetic cascade nanozymes for glucose detection through the inner filter effect
Authors: Jing Wenjie , Kong Fanbo , Tian Sijia , Yu Mincong , Li Yunchao , Fan Louzhen , Li Xiaohong
Published: May 2021

GOx@NH2-MIL-101 as a biomimetic cascade nanozyme is designed for efficiently detecting glucose in human serum and saliva samples through the inner filter effect.
Detection of Epstein–Barr virus by a rapid and simple accelerated denaturation bubble-mediated strand exchange amplification method
Authors: Liu Mengmeng , Li Yang , Zhang Dongmei , Ma Cuiping , Shi Chao
Published: May 2021

A rapid and simple nucleic acid amplification technology for EBV detection.
Recent developments and applications of quantitative proteomics strategies for high-throughput biomolecular analyses in cancer research
Authors: Miles Hannah N. , Delafield Daniel G. , Li Lingjun
Published: May 2021

Various quantitative strategies can be utilized in mass spectrometry (MS)-based proteomic investigations. Here we explore recent applications of quantitative MS-based strategies and the resulting advances in the areas of prostate, pancreatic, breast and ovarian cancer research.
A simple and feasible atom-precise biotinylated Cu(i) complex for tumor-targeted chemodynamic therapy
Authors: Luo Bi , Chen Liguang , Hong Zhaoguo , You Xin , Huang Fu-Ping , Bian He-Dong , Zhang Liangliang , Zhao Shulin
Published: May 2021

A simple and feasible atom-precise biotinylated Cu(i) complex, which can catalyze H2O2 overexpressed commonly in the tumor microenvironment to produce ˙OH through a Fenton-like reaction, was prepared and employed as an effective agent for tumor-targeted chemodynamic therapy.
A transport channel-regulated MXene membrane via organic phosphonic acids for efficient water permeation
Authors: Yi Ming , Héraly Frédéric , Chang Jian , Khorsand Kheirabad Atefeh , Yuan Jiayin , Wang Yan , Zhang Miao
Published: May 2021

A pillared titanium carbide MXene-based composite membrane with efficient water permeation and molecular sieving is enabled by organic phosphonic acids.
Enhanced activity of catalysts on substrates with surface protonic current in an electrical field – a review
Authors: Hisai Yudai , Ma Quanbao , Qureishy Thomas , Watanabe Takeshi , Higo Takuma , Norby Truls , Sekine Yasushi
Published: May 2021

Schematic reaction mechanisms; (A) without an applied electric field, (B) with an applied electric field.
Rational design of FeOx-MoP@MWCNT composite electrocatalysts toward efficient overall water splitting
Authors: Wang Aijian , Shen Xiaoliang , Wang Yun , Wang Qi , Cheng Laixiang , Chen Xiaodong , Lv Cuncai , Zhu Weihua , Li Longhua
Published: May 2021

FeOx-MoP@MWCNT composites with different FeOx content exhibit efficient overall water splitting performance, outperforming most previously reported non-precious metal electrocatalysts.
“Superaerophobic” NiCo bimetallic phosphides for highly efficient hydrogen evolution reaction electrocatalysts
Authors: Zhang Ling , Huang Jiawei , Zheng Qizheng , Li Ang , Li Xianglan , Li Jing , Shao Minhua , Chen Hongmei , Wei Zidong , Deng Zihua , Li Cunpu
Published: May 2021

A “superaerophobic” NiCo bimetallic phosphide electrocatalyst has been fabricated by employing bimetal–organic frameworks as self-sacrificing templates.
Selenium-engineered covalent organic frameworks for high-efficiency and long-acting cancer therapy
Authors: Wan Xiuyan , Wu Tong , Song Liqun , Pan Wei , Li Na , Tang Bo
Published: May 2021

Selenium-engineered covalent organic frameworks were constructed and used to effectively inhibit tumor growth by adopting the high efficiency of photodynamic therapy and long-acting properties of selenium-nanoparticle-mediated therapy.
Rapid incorporation of a difluoroacetate radical into para-quinone methides via radical 1,6-conjugate addition
Authors: Li Xin , He Songtao , Song Qiuling
Published: May 2021

Presented herein is a newly designed strategy that rapidly introduces ethyl difluoroacetate radicals through a dialkylzincs induced radical 1,6-conjugate addition pathway.
Intermediate snapshots of a 116-nuclear metallosupramolecular cage-of-cage in a homogeneous single-crystal-to-single-crystal transformation
Authors: Wahyudianto Benny , Imanishi Kento , Kojima Tatsuhiro , Yoshinari Nobuto , Konno Takumi
Published: May 2021

A homogeneous single-crystal-to-single-crystal transformation of an AuI72CdII40NaI4 cage-of-cage to an AuI72CoII44 cage-of-cage, together with the direct observation of intermediate species by single-crystal X-ray crystallography, is reported.
Photoinduced homolytic decarboxylative acylation/cyclization of unactivated alkenes with α-keto acid under external oxidant and photocatalyst free conditions: access to quinazolinone derivatives
Authors: Sun Bin , Shi Rongcheng , Zhang Kesheng , Tang Xiaoli , Shi Xiayue , Xu Jiayun , Yang Jin , Jin Can
Published: May 2021

A green and efficient strategy for the synthesis of quinazolinone derivatives via photo-induced decarboxylative cascade radical acylation/cyclization of unactivated alkenes has been developed under oxidant and photocatalyst free conditions.
Femtosecond excited-state dynamics in chlorosomal carotenoids of the photosynthetic bacterium Chloroflexus aurantiacus revealed by near infrared pump–probe spectroscopy
Authors: Yakovlev Andrei G. , Taisova Alexandra S. , Fetisova Zoya G.
Published: May 2021

In Chloroflexus aurantiacus chlorosomes, extremely fast dynamics occurs in the S2 excited state of carotenoids.
Glories, hidden rainbows and nearside–farside interference effects in the angular scattering of the state-to-state H + HD → H2 + D reaction
Authors: Xiahou Chengkui , Connor J. N. L.
Published: May 2021

The Corona Diffraction Pattern (CDP) and the Glory Diffraction Pattern (GDP).
The structure of aqueous solutions of hexafluoro-iso-propanol studied by neutron diffraction with hydrogen/deuterium isotope substitution and empirical potential structure refinement modeling
Authors: Yoshida K. , Yamaguchi T. , Bowron D. T. , Finney J. L.
Published: May 2021

Neutron diffraction measurements with H/D isotopic substitution and empirical potential structure refinement are made for hexafluoro-iso-propanol (HFIP; 1,1,1,3,3,3-hexafluoro-2-propanol)–water mixtures at 0.1, 0.2, and 0.4 HFIP mole fraction.
Experimental and DFT studies on oxygen release and migration mechanisms of LaAl-type perovskites as catalyst supports in biomass-to-H2 conversion
Authors: Deng Tao , Zheng Yujie , Qin Changlei , Ou Zhiliang , Xia Hongqiang , Zhang Zhonghui
Published: May 2021

Characteristics and mechanisms of lattice oxygen release and migration from LaAl-type perovskites as catalyst supports in biomass catalytic gasification for high-purity H2 production.
Correction: Temperature dependence of anomalous protonic and superprotonic transport properties in mixed salts based on CsH2PO4
Authors: Andrio Andreu , Hernández S. I. , García-Alcántara C. , del Castillo L. F. , Compañ Vicente , Santamaría-Holek Iván
Published: May 2021

Correction for ‘Temperature dependence of anomalous protonic and superprotonic transport properties in mixed salts based on CsH2PO4’ by Andreu Andrio et al., Phys. Chem. Chem. Phys., 2019, 21, 12948–12960, DOI: 10.1039/C8CP07472K.
New horizons for catalysis disclosed by supramolecular chemistry
Authors: Olivo Giorgio , Capocasa Giorgio , Del Giudice Daniele , Lanzalunga Osvaldo , Di Stefano Stefano
Published: May 2021

Recent advancements in supramolecular catalysis are reviewed, which show the potential of related tools when applied to organic synthesis. Such tools are recognized as innovative instruments that can pave the way to alternative synthetic strategies.
A highly efficient LaOCl supported Fe–Fe3C-based catalyst for hydrogenation of nitroarenes fabricated by coordination-assisted pyrolysis
Authors: Li Xuewei , She Wei , Wang Jing , Li Weizuo , Li Guangming
Published: May 2021

A highly efficient LaOCl supported Fe–Fe3C-based catalyst derived from bi-MOFs prepared by coordination-assisted pyrolysis for hydrogenation of nitroarenes to arylamines.
Silica-decorated Ni–Zn alloy as a highly active and selective catalyst for acetylene semihydrogenation
Authors: Simanullang Wiyanti F. , Ma Jiamin , Shimizu Ken-ichi , Furukawa Shinya
Published: May 2021

A highly active and selective Ni-based catalyst for acetylene semihydrogenation was developed by combining the silica-decoration methodology and alloying with Zn, of which the specific activity was two times higher than the highest ever reported.
Enhanced electrochemical performance of MnO2 nanoparticles: graphene aerogels as conductive substrates and capacitance contributors
Authors: Chen Huaxia , Lu Xingyu , Zhang Lili , Sui Dianpeng , Wang Chao , Meng Fanbao , Qi Wei
Published: May 2021

An N-doped graphene aerogel (NGA) is used as a reactive container for growing MnO2 nanoparticles via a soaking–hydrothermal strategy.
Multiple investigations of aqueous Eu(iii)–oxalate complexes: the reduction in coordination number and validation of spectral linear correlation
Authors: Xian Dongfan , Zhou Wanqiang , Wang Jingyi , Pan Duoqiang , Li Xiaolong , Li Yao , Shi Yanlin , Wu Wangsuo , Tan Zhaoyi , Liu Chunli
Published: May 2021

The reduction in coordination number of Eu(iii) from 9-fold to 8-fold upon coordination with more than one oxalate supported by multiple investigations.
Mixed matrix membranes containing fluorescent coordination polymers for detecting Cr2O72− with high sensitivity, stability and recyclability
Authors: Xu Yong-Kai , Meng Mei-Mei , Xi Ji-Ming , Wang Li-Fei , Zhu Rui , Liu Xing-Gui , Zhang Rui , Dong Wei , Lu Zhen-Zhong , Zheng He-Gen , Huang Wei
Published: May 2021

Mixed matrix membranes (MMMs) containing fluorescent coordination polymers (CPs) showed high sensitivity and selectivity for detecting Cr2O72− in water. Both recyclability and stability of the MMMs were remarkably higher than those of CP powders.
Facile and scalable design of light-emitting and ROS-generating hybrid materials made of polyurea gels embedding a molybdenum cluster-based salt
Authors: de Jesus Natana A. M. , de Oliveira Ricardo , Amela-Cortes Maria , Dumait Noée , Cordier Stéphane , Molard Yann , Molina Eduardo F.
Published: May 2021

Singlet oxygen production evidenced upon irradiation in the UV-A region widens hybrid polyurea materials’ potential in the field of photodynamic therapy.
Stepwise assembly of heterobimetallic complexes: synthesis, structure, and physical properties
Authors: Lee Justin L. , Oswald Victoria F. , Biswas Saborni , Hill Ethan A. , Ziller Joseph W. , Hendrich Michael P. , Borovik A. S.
Published: May 2021

An FeIII–OH synthon is utilized to promote the assembly of heterobimetallic complexes with a bridging hydroxido ligand.
Design, physico-chemical characterization andin vitrobiological activity of organogold(iii) glycoconjugates
Authors: Pettenuzzo Andrea , Vezzù Keti , Di Paolo Maria Luisa , Fotopoulou Eirini , Marchiò Luciano , Via Lisa Dalla , Ronconi Luca
Published: May 2021

Once taken up by tumor cellsviaa facilitated diffusion mechanism, organogold(iii)–dithiocarbamato glycoconjugates exert antiproliferative activity by inhibiting topoisomerases I & II and inducing oxidative stress through the generation of ROS.
Engineering electrocatalyst nanosurfaces to enrich the activity by inducing lattice strain
Authors: Maiti Sandip , Maiti Kakali , Curnan Matthew T. , Kim Kyeounghak , Noh Kyung-Jong , Han Jeong Woo
Published: May 2021

Electrocatalysis undeniably offers noteworthy improvements to future energy conversion and storage technologies, such as fuel cells, water electrolyzers, and metal–air batteries.
Delivering low-carbon electricity systems in sub-Saharan Africa: insights from Nigeria
Authors: Daggash Habiba Ahut , Mac Dowell Niall
Published: May 2021

Renewable energy alone is unable to deliver universal energy access and the Paris Agreement cheaply in sub-Saharan Africa. Both fossil fuels and renewables are needed to ensure energy equity and affordability alongside climate change mitigation.
Multilevel/hierarchical nanocomposite-imprinted regenerated cellulose membranes for high-efficiency separation: a selective recognition method with Au/PDA-loaded surface
Authors: Yan Ming , Wu Yilin , Lin Rongxin , Ma Faguang , Jiang Zhongyi
Published: May 2021

Au/PDA-based multilevel nanocomposite imprinted membranes with high rebinding capacity and permselectivity performance were first proposed and developed for the selective recognition and separation of propranolol.
Carbon nanopore and anchoring site-assisted general construction of encapsulated metal (Rh, Ru, Ir) nanoclusters for highly efficient hydrogen evolution in pH-universal electrolytes and natural seawater
Authors: Ding Rong , Yan Tingting , Wang Yi , Long Yan , Fan Guangyin
Published: May 2021

Carbon nanopore and anchoring site-assisted general construction of encapsulated metal (Rh, Ru, Ir) nanoclusters was achieved. Rh/NHCSs can be utilized as an optimal catalyst for hydrogen evolution in pH-universal electrolytes and natural seawater.
Chemolytic depolymerisation of PET: a review
Authors: Barnard Elaine , Rubio Arias Jose Jonathan , Thielemans Wim
Published: May 2021

We reviewed the current state of the art of poly(ethylene terephthalate) (PET) chemolysis used in the chemical recycling of PET.
Elucidating the mechanisms of enhanced lignin bioconversion by an alkali sterilization strategy
Authors: Zhao Zhi-Min , Zhang Shuyang , Meng Xianzhi , Pu Yunqiao , Liu Zhi-Hua , Ledford William K. , Kilbey S. Michael , Li Bing-Zhi , Ragauskas Arthur J.
Published: May 2021

A facile alkali sterilization strategy without any heat input makes lignin dispersion no longer a bottleneck limiting biological lignin valorization.
Toward autonomous design and synthesis of novel inorganic materials
Authors: Szymanski Nathan J. , Zeng Yan , Huo Haoyan , Bartel Christopher J. , Kim Haegyeom , Ceder Gerbrand
Published: May 2021

We review recent progress in the development of self-driving laboratories and discuss their application to autonomous inorganic materials synthesis.
Two-photon absorption of dipolar and quadrupolar oligothiophene-cored chromophore derivatives containing terminal dimesitylboryl moieties: a theoretical (DFT) structure–property investigation
Authors: Amar Anissa , Elkechai Aziz , Halet Jean-François , Paul Frédéric , Boucekkine Abdou
Published: May 2021

Electron density difference between the S2 state reached by the 2PA and the ground state S0 (ΔμS2–S0 = 1.70 D) for 2TM-NMe3+.
Synthesis of novel plasticizer ester end-capped oligomeric lactic acid and its plasticizing performance in poly(vinyl chloride)
Authors: Zhang Zheming , Jiang PingPing , Liu Dekai , Feng Shan , Leng Yan , Zhang Pingbo , Haryono Agus , Li Zhenhua , Li Yuchao
Published: May 2021

In this work, a novel high efficiency plasticizer, an ester-capped oligomeric lactic acid mixture (EOL), was successfully synthesized by a two-step esterification reaction, with l-lactic acid as the main raw material.
Selected applications of Meldrum's acid – a tutorial
Authors: Brosge Felix , Singh Pardeep , Almqvist Fredrik , Bolm Carsten
Published: May 2021

The overview describes synthetic routes towards substituted Meldrum's acids and its recent applications to inspire lab veterans and chemistry younglings.
Direct functionalization of quinoxalin-2(1H)-one with alkanes: C(sp2)–H/C(sp3)–H cross coupling in transition metal-free mode
Authors: Singh Swati , Dagar Neha , Raha Roy Sudipta
Published: May 2021

The HAT approach for the alkylation of heterocycles through C(sp2)–H/C(sp3)–H cross-coupling of quinoxaline-2(1H)-one with a feedstock starting material has been discussed.
Regioselective C–H dithiocarbamation of indolizines with tetraalkylthiuram disulfide under metal-free conditions
Authors: Liu Xiang , Song Dan , Zhang Zemin , Lin Jiatong , Zhuang Canzhan , Zhan Haiying , Cao Hua
Published: May 2021

An efficient and straightforward metal-free regioselective C–H dithiocarbamation of indolizines with tetraalkylthiuram disulfide has been described. A series of indolizines-dithiocarbamates derivatives were easily accessed in good yields.
Diverse synthetic approaches towards C1′-branched acyclic nucleoside phosphonates
Authors: Kalčic Filip , Dračínský Martin , Janeba Zlatko
Published: May 2021

Five diverse synthetic methods leading to 6-chloropurine ANPs branched at C1′ position were developed/optimized. These key intermediates can be used for the synthesis of a library of C1′-branched ANPs for evaluation of their biological properties.
Nickel-catalyzed reductive 1,3-diene formation from the cross-coupling of vinyl bromides
Authors: Sha Yunfei , Liu Jiandong , Wang Liang , Liang Demin , Wu Da , Gong Hegui
Published: May 2021

We disclose herein a Ni-catalyzed cross-electrophile coupling of two open-chain vinyl bromides to generate 1,3-conjugated dienes.
A nickel-catalyzed silylation reaction of alkyl aryl sulfoxides with silylzinc reagents
Authors: Li Wei-Ze , Wang Zhong-Xia
Published: May 2021

Cross-coupling of alkyl aryl sulfoxides with silylzinc reagents was performed under the catalysis of nickel. The protocol provides arylsilanes in moderate to excellent yields.
Flame retardant polyphosphoester copolymers as solid polymer electrolyte for lithium batteries
Authors: Olmedo-Martínez Jorge L. , Meabe Leire , Riva Raphaël , Guzmán-González Gregorio , Porcarelli Luca , Forsyth Maria , Mugica Agurtzane , Calafel Itxaso , Müller Alejando J. , Lecomte Philippe , Jérôme Christine , Mecerreyes David
Published: May 2021

Solid-state lithium batteries are considered one of the most promising battery systems due to their high volumetric energy density, in this work a flame retarded polymer electrolyte is proposed.
Multi-level information security realized in ortho-stannic acid magnesium with a single activator of Tb3+
Authors: Zhao Shanshan , Wang Zhenbin , Lin Yuanying , Yu Bin , Liu Weisheng
Published: May 2021

In this work, we designed and successfully synthesized a material Mg2SnO4:Tb3+, which fully prove that the security of information has been greatly improved.
Increasing the surface area and CO2uptake of conjugated microporous polymersviaa post-knitting method
Authors: Liu Yuchuan , Wang Shun , Meng Xianyu , Ye Yu , Song Xiaowei , Liang Zhiqiang
Published: May 2021

A facile post-knitting method was developed to increase the surface area of conjugated microporous polymers for improving the CO2adsorption ability.
Radical addition reaction between chromenols and toluene derivatives initiated by Brønsted acid catalyst under light irradiation
Authors: Kikuchi Jun , Kodama Shota , Terada Masahiro
Published: May 2021

A Brønsted acid-catalyzed radical addition reaction between chromenols and toluene derivatives was accomplished under light irradiation, affording benzylated chromene derivatives through benzylic C(sp3)–H functionalization of toluene derivatives.
Sulfur-inserted polymer-anchored edge exfoliated graphite for durable positive electrodes for lithium–sulfur batteries
Authors: Uesugi Nanami , Kazahaya Natsuho , Yamada Koki , Kojo Seiya , Yoshitani Hiroshi , Wada Takuya , Fukui Hiroji , Nozato Shoji , Katayama Yu , Tsutsumi Hiromori
Published: May 2021

Sulfur-inserted polymer-anchored EExG electrode meets the conflicting requirement of physically restraining sulfur dissolution while maintaining structural flexibility to cope with the volume expansion of sulfur during the charge–discharge cycles.
Efficient extraction of bioactive flavonoids from Celtis sinensis leaves using deep eutectic solvent as green media
Authors: Wang Lei , Fang Xianying , Hu Yang , Zhang Yiwei , Qi Zhipeng , Li Jie , Zhao Linguo
Published: May 2021

In recent years, deep eutectic solvent (DES) has attracted comprehensive attention on the extraction of natural products, and is regarded as an alternative to traditional organic solvents for the environmental advantages.
Preparation of a double-network hydrogel based on wastepaper and its application in the treatment of wastewater containing copper(ii) and methylene blue
Authors: Chen Yaoning , Li Linshenzhang , Li Yuanping , Liu Yihuan , Chen Yanrong , Li Hui , Li Meiling , Xu Fangting , Liu Yuqing
Published: May 2021

In this research, wastepaper was innovatively compounded with acrylamide to prepare a wastepaper/acrylamide double-network hydrogel and was applied to the treatment of the mixed wastewater containing copper(ii) and methylene blue.
Copper-catalyzed aerobic oxidative radical alkoxycyclization of tryptamines to access 3-alkoxypyrroloindolines
Authors: Wang Wei , Song Jun-Rong , Li Zhi-Yao , Zhong Ting , Chi Qin , Ren Hai , Pan Wei-Dong
Published: May 2021

An oxazoline/copper-catalyzed cascade carboamination alkoxylation of substituted tryptamine under mild eco-friendly O2 oxidation conditions was reported.
In vitro antioxidant and wound-healing activities of hydrolyzed collagen from defatted Asian sea bass skin as influenced by different enzyme types and hydrolysis processes
Authors: Chotphruethipong Lalita , Binlateh Thunwa , Hutamekalin Pilaiwanwadee , Sukketsiri Wanida , Aluko Rotimi E. , Benjakul Soottawat
Published: May 2021

Hydrolyzed collagen (HC) from sea bass skin prepared using papain and Alcalase had antioxidant potency and could enhance MRC-5 cell proliferation and lamellipodia formation. HC can be used as a nutraceutical or functional food ingredient.
Coacervate formation studied by explicit solvent coarse-grain molecular dynamics with the Martini model
Authors: Tsanai Maria , Frederix Pim W. J. M. , Schroer Carsten F. E. , Souza Paulo C. T. , Marrink Siewert J.
Published: May 2021

Martini 3 force field can capture the experimental trends of complex coacervates and can be extended to gain physical insight on the mechanisms that drive the formation of LLPS.
Chemical synthesis of stimuli-responsive guide RNA for conditional control of CRISPR-Cas9 gene editing
Authors: Gu Chunmei , Xiao Lu , Shang Jiachen , Xu Xiao , He Luo , Xiang Yu
Published: May 2021

Conditional control of CRISPR-Cas9 activity by reactive oxygen species and visible light is achieved using stimuli-responsive guide RNA synthesized by a general method based on RNA 2′-O-methylribonucleotide phosphorothioate.
Solution-processable porous graphitic carbon from bottom-up synthesis and low-temperature graphitization
Authors: Che Sai , Li Chenxuan , Wang Chenxu , Zaheer Wasif , Ji Xiaozhou , Phillips Bailey , Gurbandurdyyev Guvanch , Glynn Jessica , Guo Zi-Hao , Al-Hashimi Mohammed , Zhou Hong-Cai , Banerjee Sarbajit , Fang Lei
Published: May 2021

Porous graphitic carbon was synthesized through acid-mediated aldol triple condensation followed by low-temperature graphitization. The inherent thin film processability and the low temperature requirement of the synthesis enable various potential applications.
Efficient synthesis of antiviral agent uprifosbuvir enabled by new synthetic methods
Authors: Klapars Artis , Chung John Y. L. , Limanto John , Calabria Ralph , Campeau Louis-Charles , Campos Kevin R. , Chen Wenyong , Dalby Stephen M. , Davis Tyler A. , DiRocco Daniel A. , Hyde Alan M. , Kassim Amude M. , Larsen Mona Utne , Liu Guiquan , Maligres Peter E. , Moment Aaron , Peng Feng , Ruck Rebecca T. , Shevlin Michael , Simmons Bryon L. , Song Zhiguo Jake , Tan Lushi , Wright Timothy J. , Zultanski Susan L.
Published: May 2021

An efficient route to the HCV antiviral agent uprifosbuvir was developed in 5 steps from readily available uridine in 50% overall yield.
Self-limiting lithiation of vanadium diboride nanosheets as ultra-stable mediators towards high-sulfur loading and long-cycle lithium sulfur batteries
Authors: Zhao Yuwei , Yin Hao , Zhang Zhe , Lyu Chongguang , Zhao Xuan , Xu Huakai , Lu Gang , Qin Tianshi , Ouyang Gang , Zha Chenyang , Wang Lin
Published: May 2021

This work on the “interface is the device” strategy provides insight into interfacial engineering to support the advancement of lithium-sulfur batteries.
Viscoelasticity and elastocapillarity effects in the impact of drops on a repellent surface
Authors: Charles Carole-Ann , Louhichi Ameur , Ramos Laurence , Ligoure Christian
Published: May 2021

Damped harmonic oscillator including viscoelasticity and biaxial extensional dissipation to model the dynamics of expansion of viscoelastic and Newtonian drops upon impact on a repellent surface.
Measuring and upscaling micromechanical interactions in a cohesive granular material
Authors: Hemmerle Arnaud , Yamaguchi Yuta , Makowski Marcin , Bäumchen Oliver , Goehring Lucas
Published: May 2021

For a cohesive granular material we measure the mechanical responses of single bridges under traction and shear, and show how to upscale these to predict macroscopic material properties using an experimentally-informed discrete-element model.
Correction: Shear-induced polydomain structures of nematic lyotropic chromonic liquid crystal disodium cromoglycate
Authors: Baza Hend , Turiv Taras , Li Bing-Xiang , Li Ruipeng , Yavitt Benjamin M. , Fukuto Masafumi , Lavrentovich Oleg D.
Published: May 2021

Correction for ‘Shear-induced polydomain structures of nematic lyotropic chromonic liquid crystal disodium cromoglycate’ by Hend Baza et al., Soft Matter, 2020, 16, 8565–8576.
Alternative anodes for low temperature lithium-ion batteries
Authors: Collins Gearoid A. , Geaney Hugh , Ryan Kevin M.
Published: May 2021

Major issues of commercial graphite-based Li-ion batteries at low temperature and recent improvements in anode formulation to tackle these low temperature limitations.
Small-angle scattering to reveal the colloidal nature of halide perovskite precursor solutions
Authors: Flatken Marion A. , Hoell Armin , Wendt Robert , Härk Eneli , Dallmann André , Prause Albert , Pascual Jorge , Unger Eva , Abate Antonio
Published: May 2021

We present small-angle scattering as a nanostructural technique to characterize the colloidal nature of perovskite precursor dispersions. The existence of a dynamic colloidal network has been proven to influence the initial stages of crystallization.
Capture and electroreduction of CO2 using highly efficient bimetallic Pd–Ag aerogels paired with carbon nanotubes
Authors: Abdinejad Maryam , Ferrag Celia , Hossain M. Nur , Noroozifar Meissam , Kerman Kagan , Kraatz Heinz Bernhard
Published: May 2021

Highly efficient three-dimensional palladium–silver aerogels for electrochemical reduction of CO2 to CO.
Local structural changes in polyamorphous (Ni,Fe)Ox electrocatalysts suggest a dual-site oxygen evolution reaction mechanism
Authors: Schoen Martin A. W. , Calderon Oliver , Randell Nicholas M. , Jimenez-Villegas Santiago , Daly Katelynn M. , Chernikov Roman , Trudel Simon
Published: May 2021

Comparison of structural properties to electrochemical performance of an amorphous NiFeOx OER catalyst thermal annealing series suggest a dual site OER mechanism.
Formation mechanism of the solid electrolyte interphase in different ester electrolytes
Authors: Yang Shi-Jie , Yao Nan , Xu Xiang-Qun , Jiang Feng-Ni , Chen Xiang , Liu He , Yuan Hong , Huang Jia-Qi , Cheng Xin-Bing
Published: May 2021

The solid electrolyte interphase (SEI) plays a critical role in determining the performance of lithium metal batteries.
Sensitive colorimetric glucose sensor by iron-based nanozymes with controllable Fe valence
Authors: Zhao Wenli , Zhang Guangpu , Du Yang , Chen Shuangqin , Fu You , Xu Fan , Xiao Xiangyun , Jiang Wei , Ji Qingmin
Published: May 2021

An extremely sensitive colorimetric sensing system for glucose was constructed through the regulation of Fe2+/Fe3+ratios (in a wide range of 0.81–1.45) in a novel porous platform of Fe doped silica hollow spheres.
Recent development on the synthesis, properties and applications of luminescent oxidized phenothiazine derivatives
Authors: Rout Yogajivan , Ekbote Anupama , Misra Rajneesh
Published: May 2021

Oxidized phenothiazine chromophores have received significant attention in various technological applications including (OLEDs), photovoltaic devices, data storage, sensors and bioimaging due to their excellent photoluminescence properties.
Highly efficient and stable planar perovskite solar cells with K3[Fe(CN)6]-doped spiro-OMeTAD
Authors: Sun Weihai , Zhang Mingjing , Wang Shibo , Cao Fengxian , Zou Jinjun , Du Yitian , Lan Zhang , Wu Jihuai
Published: May 2021

Perovskite solar cells with K3[Fe(CN)6]-doped spiro-OMeTAD HTL exhibit a champion power conversion efficiency of 20.83%.
A universal thermally activated delayed fluorescent host with short triplet lifetime for highly efficient phosphorescent OLEDs with extremely low efficiency roll-off
Authors: Sun Bangjin , Tong Kai-Ning , Chen Xing , He Jian-Li , Liu Han , Fung Man-Keung , Fan Jian
Published: May 2021

A universal TADF host material with a small singlet–triplet energy gap was developed for phosphorescent OLEDs.
Pyrene-1,5,6,10-tetracarboxyl diimide: a new building block for high-performance electron-transporting polymers
Authors: Li Yao , Yao Zefan , Xie Jiajun , Han Han , Yang Guantao , Bai Xudong , Pei Jian , Zhao Dahui
Published: May 2021

A new polycyclic aromatic diimide of pyrene (PyDI) bearing six-membered-ring dicarboximide is synthesized. Its conjugated polymer PyDI-TT displays an electron mobility of 0.34 cm2 V−1 s−1, demonstrating PyDI to be an excellent building block for high-performance electron-transporting materials.
Ultrasensitive UV-NIR broadband phototransistors based on AgBiS2–organic hybrid films
Authors: Jiang Li , Huang Huihuang , Gui Fubing , Xu Yalun , Lin Qianqian
Published: May 2021

A hybrid film strategy was introduced to enhance the charge transport of AgBiS2 QDs. Phototransistors based on this hybrid film demonstrated tunable gain and a high specific detectivity of >1013 Jones.
The selective alpha7 nicotinic acetylcholine receptor agonist AR-R17779 does not affect ischemia–reperfusion brain injury in mice
Authors: Hammarlund Maria E. , Darsalia Vladimer , Mjörnstedt Filip , Pattanaik Bagmi , Mallard Carina , Rocha-Ferreira Eridan , Patrone Cesare , Johansson Maria E.
Published: May 2021

Inflammation plays a central role in stroke-induced brain injury. The alpha7 nicotinic acetylcholine receptor (α7nAChR) can modulate immune responses in both the periphery and the brain. The aims of the present study were to investigate α7nAChR expression in different brain regions and evaluate the potential effect of the selective α7nAChR agonist AR-R17779 on ischemia–reperfusion brain injury in mice. Droplet digital PCR (ddPCR) was used to evaluate the absolute expression of the gene encoding α7nAChR (Chrna7) in hippocampus, striatum, thalamus and cortex in adult, naïve mice. Mice subjected to transient middle cerebral artery occlusion (tMCAO) or sham surgery were treated with α7nAChR agonist AR-R17779 (12 mg/kg) or saline once daily for 5 days. Infarct size and microglial activation 7 days after tMCAO were analyzed using immunohistochemistry. Chrna7 expression was found in all analyzed brain regions in naïve mice with the highest expression in cortex and hippocampus. At sacrifice, white blood cell count was significantly decreased in AR-R17779 treated mice compared with saline controls in the sham groups, although, no effect was seen in the tMCAO groups. Brain injury and microglial activation were evident 7 days after tMCAO. However, no difference was found between mice treated with saline or AR-R17779. In conclusion, α7nAChR expression varies in different brain regions and, despite a decrease in white blood cells in sham mice receiving AR-R17779, this compound does not affect stroke-induced brain injury.
Enhancing transferability of adversarial examples via rotation‐invariant attacks
Authors: Duan Yexin , Zou Junhua , Zhou Xingyu , Zhang Wu , Zhang Jin , Pan Zhisong
Published: May 2021

Deep neural networks are vulnerable to adversarial examples. However, existing attacks exhibit relatively low efficacy in generating transferable adversarial examples. Improved transferability to address this issue is proposed via a rotation‐invariant attack method that maximizes the loss function w.r.t the random rotated image instead of the original input at each iteration, thus mitigating the high correlation between the adversarial examples and the source models and making the adversarial examples more transferable. Extensive experiments show that the proposed method can significantly improve the transferability of the adversarial examples with almost no extra computational cost and can be integrated into various methods. In addition, when this method is easily applied through a plug‐in, the average attack success rate against six robustly trained models increases by 5.4% over the state‐of‐the‐art baseline method, demonstrating its effectiveness and efficiency. The codes used are publicly available at https://github.com/YeXinD/Rotation‐Invariant‐Attack.
Medical image interpretation training with a low‐cost eye tracking and feedback system: A preliminary study
Authors: Quen Mathieson Tan Zui , Mountstephens J. , Teh Yong Guang , Teo J.
Published: May 2021

All medical students must learn to detect tumours in chest X‐ray films. Eye tracking technology may be able to improve the training of this skill, with the potential benefit of saving thousands of lives each year. Eye trackers can record where students actually look in relation to known abnormalities in images, allowing the automated provision of corrective feedback during medical training. Research using dedicated eye tracking units suggests their potential as pedagogical tools but this hardware can be expensive, which prevents their use by medical students. To overcome this financial barrier, this project used eye tracking based on low‐cost webcams to develop a system with the potential to allow all medical students to improve their interpretation skills. In self‐study mode, students can practice and improve based on automated performance feedback in a browser‐based system. Improvements in performance over time can be determined and mistakes can be played back and analysed for correction. Eight medical trainees used the system on a custom dataset of 60 chest X‐ray images and were able to improve their decision times by self‐study alone. The system was also rated highly for its ability to provide valuable objective information during subsequent one‐on‐one instruction sessions.
Hybrid energy management strategy based on dynamic setting and coordinated control for urban rail train with PMSM
Authors: Wang Xin , Luo Yingbing , Zhou Yu , Qin Yuxin , Qin Bin
Published: May 2021

Due to the short distance between stations, frequent acceleration and braking for urban rail trains cause voltage fluctuation in the traction network and the regenerative braking energy loss. In this study, a hybrid energy storage system (HESS) was proposed to recover braking energy and stabilize the traction network voltage, where the on‐board ultracapacitors were used to accommodate the rapid exchange of acceleration and braking energy of the permanent magnet traction system while the lithium batteries installed in the bilateral stations provided stable and long‐lasting energy exchange, which can stabilize traction network voltage and be charged at off‐peak night time. In order to realize the energy coordinated control between the permanent magnet traction system and HESS, a real‐time energy management strategy was proposed to dynamically allocate the traction power based on the principle of giving priority to on‐board ultracapacitors while lithium batteries as auxiliary power supply. Moreover, the charging and discharging voltage thresholds of the lithium batteries were dynamically set according to train positions and their charge status. Comparing with the traditional strategies, the RT‐LAB semi‐physical real‐time simulation shows that the proposed strategy can provide more effective energy allocation, and stabilize the voltage fluctuation while maximizing the energy saving.