bluuebunny/crossref_metadata_2025 huggingface dataset:
Reading mixtures of uniform sequence-defined macromolecules to increase data storage capacity
Authors: Frölich Maximiliane , Hofheinz Dennis , Meier Michael A. R.
Published: December 2020

In recent years, the field of molecular data storage has emerged from a niche to a vibrant research topic. Herein, we describe a simultaneous and automated read-out of data stored in mixtures of sequence-defined oligomers. Therefore, twelve different sequence-defined tetramers and three hexamers with different mass markers and side chains are successfully synthesised via iterative Passerini three-component reactions and subsequent deprotection steps. By programming a straightforward python script for ESI-MS/MS analysis, it is possible to automatically sequence and thus read-out the information stored in these oligomers within one second. Most importantly, we demonstrate that the use of mass-markers as starting compounds eases MS/MS data interpretation and furthermore allows the unambiguous reading of sequences of mixtures of sequence-defined oligomers. Thus, high data storage capacity considering the field of synthetic macromolecules (up to 64.5 bit in our examples) can be obtained without the need of synthesizing long sequences, but by mixing and simultaneously analysing shorter sequence-defined oligomers.
Southward migration of the Southern Hemisphere westerly winds corresponds with warming climate over centennial timescales
Authors: Perren Bianca B. , Hodgson Dominic A. , Roberts Stephen J. , Sime Louise , Van Nieuwenhuyze Wim , Verleyen Elie , Vyverman Wim
Published: December 2020

Recent changes in the strength and location of the Southern Hemisphere westerly winds (SHW) have been linked to continental droughts and wildfires, changes in the Southern Ocean carbon sink, sea ice extent, ocean circulation, and ice shelf stability. Despite their critical role, our ability to predict their impacts under future climates is limited by a lack of data on SHW behaviour over centennial timescales. Here, we present a 700-year record of changes in SHW intensity from sub-Antarctic Marion Island using diatom and geochemical proxies and compare it with paleoclimate records and recent instrumental data. During cool periods, such as the Little Ice Age (c. 1400–1870 CE), the winds weakened and shifted towards the equator, and during warm periods they intensified and migrated poleward. These results imply that changes in the latitudinal temperature gradient drive century-scale SHW migrations, and that intensification of impacts can be anticipated in the coming century.
Univariate and Multivariate Statistical Approaches to the Analysis and Interpretation of NMR-based Metabolomics Datasets of Increasing Complexity
Authors: Percival Benita , Gibson Miles , Leenders Justine , Wilson Philippe B. , Grootveld Martin
Published: December 2020

Notable historically-developed composites of advanced forms of statistical analysis and analytical/bioanalytical chemistry have been vital to the interpretation and understanding of the significance of results acquired in research (both natural sciences and clinical) and industry, with applications in numerous fields, including biomedical sciences, healthcare and environmental sciences. Herein, multicomponent nuclear magnetic resonance (NMR) analysis is used as a model to delineate how advanced statistical tools, both univariate and multivariate, can be implemented to effectively perform complex spectral dataset analyses in metabolomic applications, and to provide valuable, validated conclusions therein. Computational techniques are now embedded into spectral interpretation from an analytical chemist's perspective. However, there are challenges to applying such advanced statistical probes, which will be explored throughout this chapter.
Issues for Hazard Characterization of Endocrine Disrupting Chemicals: The Use of Adverse Outcome Pathways
Authors: Mantovani Alberto
Published: December 2020

In the risk assessment process, hazard characterization pivots on the mode(s) of action of a toxicant and on the possibility to define the relationships between the doses and the biological responses, with the aim of setting a ‘safe dose’. This may be defined as a pragmatic threshold to be used in risk management, whereas the definition of a ‘real threshold’ is burdened by uncertainties. As regards endocrine disrupting chemicals (EDCs), a long and intensive discussion has taken place on a number of topics. Non-monotonic dose-responses do exist and probably reflect the existence of qualitatively different mechanisms, each giving rise to a dose–response curve for the relevant effects. Indeed, EDCs may regulate hormone pathways in different ways at different concentrations at a target or elicit other toxicological mechanisms at dose levels higher than those causing endocrine effects. The low-dose issue is a poorly defined one. Investigating EDCs using ad hoc endpoints not considered in regulatory studies and/or during vulnerable windows may plausibly detect adverse effects at dose levels where no other toxic outcomes were observed. Also, high-concern chemicals may cause adverse effects at actual environmental exposure levels, before proper regulatory and risk management measures are implemented. Thus, experimental studies investigating sensitive endpoints can actually observe adverse effects at environmentally relevant dose levels. Finally, the chapter discusses the use of adverse outcome pathways (AOP) to identify the relevant upstream events for which dose–response curves have to be sought within the framework of a mechanism- and biology-driven hazard characterization. Indeed, the use of AOP may reduce the risk of ‘drowning in complexity’.
Endocrine Disruptors and Cancer: From Genotoxicity Mechanisms to Ethnicity-related Susceptibility
Authors: Fucic Aleksandra , Darbre Philippa
Published: December 2020

Endocrine disrupting chemicals (EDCs) have been measured widely in human tissues and are increasingly implicated in adverse effects on human health, including development of cancer. This review focuses on recent reports of genotoxic effects of EDCs and ethnic differences in sensitivity to EDC exposures. The ability of EDCs to influence the incidence of cancers in hormone-sensitive reproductive tissues has been reported for many years, but a broader involvement in all cancers is emerging. Whilst EDCs are accepted to act through physiological intracellular receptors to disrupt receptor-mediated gene expression, the genotoxicity of EDCs is increasingly being reported through not only direct DNA damage to the genome but also through epigenomic and non-genomic mechanisms. Furthermore, evidence is emerging for epigenetic alterations following prenatal EDC exposures with consequences for adult life and onward transgenerational transmission. Ethnic differences in the outcome of responses to EDCs are also being reported, most notably in relation to breast and prostate cancer incidence in Afro-American compared with Caucasian populations in the USA. These emerging areas of research need to be incorporated into understanding of the overall consequences of human exposure to EDCs.
Natural Substances in Supplements and Nutraceuticals as Endocrine Disruptors
Authors: Cernelev Olga , Mantovani Alberto
Published: December 2020

Endocrine disrupting chemicals (EDCs) can be found in materials and products perceived as ‘safe’ by the public, including nutraceuticals. ‘Nutraceutical’ is a very broad term that designates any substance that may be considered as food or part of a food as well as providing health benefits. The term may include a range of products, known variously as dietary supplements, natural health products or food supplements: herbal products or'botanicals’ feature prominently. The intake of nutraceuticals is widespread and the range of substances and intended functions is broad; thus, adverse effects of nutraceuticals are definitely a challenge for risk assessors. In general, a more consistent international definition of what is a nutraceutical is required. Intended biological actions and target populations should be clearly defined in terms of age, gender and physiological status. Beyond biological action, the health-promoting scope should be clearly defined in humans. Some nutraceuticals may provide nutrients that, at excess intakes, induce adverse effects, such as algal supplements providing a high iodine intake with hyperstimulation of thyroid. Others provide plant bioactives and other non-nutrient functional substances with potential endocrine-disrupting effects, such as isoflavones from soy-based supplements. Dose–response relationships for the relevant endocrine effects, either beneficial or adverse, should be assessed, taking into account sex- and age-related differences; reporting of adverse effects of nutraceuticals should be strengthened. The approach toward nutraceuticals has to be that of evidence-based risk-to-benefit assessment.
Challenges in Endocrine Disruptor Toxicology and Risk Assessment
Authors: Amadi Cecilia Nwadiuto , Offor Samuel James , Orisakwe Orish Ebere
Published: December 2020

The effects of endocrine-disrupting chemicals (EDCs) in the ecosystem have been studied for many decades and they are known to pose a major health risk to humans even at low doses. Exposure to EDCs can be through diet, environmental or occupation exposures. These chemicals are known to affect the normal functioning of the endocrine system, resulting in a wide array of disease conditions. This review aims to provide a brief report on the bottlenecks and challenges associated with risk assessments of EDCs. An electronic search of literature from scientific databases was conducted. A total of 48 original scientific reports and review articles were obtained with the search strategy; of which 12 were found to be eligible to be included in the present review. For several years, there has been a growing wealth of debates and arguments by scientists and regulatory bodies regarding the definition, possible health effects and risk assessments of EDCs. Different regulatory agencies have come up with relevant approaches in tackling these challenges which are still ongoing. Despite existing uncertainties, there is a desperate need to harmonize methods for comprehensive risk assessment of these debilitating chemicals.
Occupational Exposure to Endocrine Disruptors and Reproductive Health
Authors: Metruccio F. , Tosti L. , Moretto A.
Published: December 2020

Over the years, toxicological evidence on a variety of naturally occurring or anthropogenic substances has raised concern about their potential to interfere with the endocrine systems. This chapter illustrates a few cases of these potential endocrine active substances, focusing on occupational exposure and reproductive health effects. Four examples were selected for the exercise: bisphenol A (BPA), lead (Pb), hexachlorobenzene (HCB) and pesticides. For each, epidemiological information has been collected, evaluated and integrated with relevant experimental toxicological data; in addition, compound-related reproductive effects in humans and animals have been compared. In general, the number of epidemiological studies in workers in relation to endocrine-mediated effects on reproduction is limited and, in certain cases, of uncertain reliability. For BPA, there is still limited evidence of effects on reproduction in humans, with many uncertainties. Animal data indicated reproductive effects, but generally at experimental doses significantly higher than estimated exposure levels in workers. For lead there is evidence of endocrine-related reproductive effects at blood lead concentrations close to, or even lower than, those allowed in workers. For HCB, accidental non-occupational high exposures caused clear reproductive effects that were not seen in workers. For pesticides, no consistent evidence exists of adverse human reproductive effects following occupational exposure: available studies have significant limitations, such as exposure assessment. Certainly, careful epidemiological studies in workers will provide more precise information than studies on the general population.
Regulation and Risk Management of Endocrine Disruptors: Current Status and Future Perspectives
Authors: Lindeman Birgitte , Ritz Vera
Published: December 2020

In this chapter, we will present the current European policy regarding regulation of endocrine-disrupting chemicals (EDCs) in different sectors and report on ongoing legislative activities. Ongoing activities includes an initiative of the European Commission to identify gaps and differences in EU Regulations and Directives on chemical substances used in different fields regarding the identification and management of EDCs. Furthermore, the regulatory situation in selected OECD countries is analysed and respective programs are summarised. Work and available guidance for identifying and testing of EDCs developed by the OECD and the European authorities, the European Food Safety Authority (EFSA) and the European Chemicals Agency (ECHA), are elucidated and risk management measures focusing on Registration, Evaluation, Authorization and Restriction of Chemicals (REACH), plant protection products and biocides in the EU are presented. Future perspectives, including developments that are expected to have effects on the European regulation of EDCs as well as gaps that need to be addressed by research and development to fulfil current and future regulatory requirements, are outlined.
A metal-free coumarin-based fluorescent probe for the turn-on monitoring of carbon monoxide in an aqueous solution and living cells
Authors: Zhang Shiqing , Mu Xinyue , Zhu Jinbiao , Yan Liqiang
Published: December 2020

A fluorescent probe for CO detection was prepared, showing a simple structure, being metal-free, and having an excellent detection performance.
Sensitive detection of RNA based on concatenated self-fuelled strand displacement amplification and hairpin-AgNCs
Authors: Guo Yahui , Wang Mofan , Shen Fumiao , Hu Zhigang , Ding Hongliu , Yao Weirong , Qian He
Published: December 2020

Herein, a self-fuelled amplification strategy (SFAS) is proposed, in which two strand displacement amplification (SDA) processes were concatenated for the proliferation of ssDNA.
Synthesis and characterization of CD133 targeted aptamer–drug conjugates for precision therapy of anaplastic thyroid cancer
Authors: Ge Ming Hua , Zhu Xu Hang , Shao Yi Ming , Wang Chao , Huang Ping , Wang Yun , Jiang Yu , Maimaitiyiming Yasen , Chen En , Yang Chang , Naranmandura Hua
Published: December 2020

CD133 targeted aptamer–drug conjugates could precisely deliver anti-cancer drugs into CD133 positive anaplastic thyroid cancer tissue.
Tumor acidity-responsive carrier-free nanodrugs based on targeting activation via ICG-templated assembly for NIR-II imaging-guided photothermal–chemotherapy
Authors: Xue Kaihang , Wei Feng , Lin Jinyan , Tian Haina , Zhu Fukai , Li Yang , Hou Zhenqing
Published: December 2020

Novel tumor microenvironment-driven self-targeting supramolecular nanodrugs via ICG-templated small-molecule self-assembly for NIR-II imaging-guided synergistic photothermal–chemotherapy.
1,1-Phosphaboration of CC and CC bonds at gold
Authors: Theulier Cyril A. , García-Rodeja Yago , Saffon-Merceron Nathalie , Miqueu Karinne , Bouhadir Ghenwa , Bourissou Didier
Published: December 2020

Regio and stereoselective addition of a phosphine-borane to alkynyl and vinyl gold(i) complexes.
A fluorogenic peptide-based smartprobe for the detection of neutrophil extracellular traps and inflammation
Authors: Rios Maria R. , Garoffolo Gloria , Rinaldi Giulia , Megia-Fernandez Alicia , Ferrari Silvia , Robb Calum T. , Rossi Adriano G. , Pesce Maurizio , Bradley Mark
Published: December 2020

A highly specific, fluorogenic probe detects human neutrophil elastase (hNE) in activated neutrophils and Neutrophil Extracellular Traps (NETs).
Synthesis and reactivity of phosphine borohydride compounds
Authors: Ayyappan Ramaraj , Coppel Yannick , Vendier Laure , Ghosh Sundargopal , Sabo-Etienne Sylviane , Bontemps Sébastien
Published: December 2020

Strong evidence for non-bonded through space P–B coupling are obtained by close positioning of phosphine and borate moieties. The new species readily release LiH to carbonyl and generate phosphine borane ambiphilic compounds.
2D luminescent metal–organic framework: efficient and highly selective detection of 2,4,6-trinitrophenol at the ppb level
Authors: Fan Ming Yue , Fu Peng , Li Jiao , Su Zhong Min , Li Xiao , Pan Qing Qing , Hu Xiao Li
Published: December 2020

A 2D Cd-MOF (CUST-531) was reported as a sensor to detect TNP with high sensitivity and selectivity. The quenching mechanism is the turn-off response of the fluorescence signal, which can be observed by the naked eye under UV-vis lamp irradiation.
Effect of an external electric field, aqueous solution and specific adsorption on segregation of PtML/MML/Pt(111) (M = Cu, Pd, Au): a DFT study
Authors: Zhang Xiaoming , Li Huanqiao , Xia Zhangxun , Yu Shansheng , Wang Suli , Sun Gongquan
Published: December 2020

The segregation phenomenon of electrocatalysts is significantly affected by the composition of electrocatalysts and working condition.
A fundamental invariant-neural network representation of quasi-diabatic Hamiltonians for the two lowest states of H3
Authors: Yin Zhengxi , Braams Bastiaan J. , Guan Yafu , Fu Bina , Zhang Dong H.
Published: December 2020

The FI-NN approach is capable of representing highly accurate diabatic PESs with particular and complicated symmetry problems.
Mechanistic dichotomies in redox reactions of mononuclear metal–oxygen intermediates
Authors: Fukuzumi Shunichi , Cho Kyung-Bin , Lee Yong-Min , Hong Seungwoo , Nam Wonwoo
Published: December 2020

This review article focuses on various mechanistic dichotomies in redox reactions of metal–oxygen intermediates with the emphasis on understanding and controlling their redox reactivity from experimental and theoretical points of view.
Highlights of the characterization techniques on inorganic, organic (COF) and hybrid (MOF) photocatalytic semiconductors
Authors: Subudhi Satyabrata , Tripathy Suraj Prakash , Parida Kulamani
Published: December 2020

This review is dedicated to the brave COVID warriors fighting against the COVID-2019 pandemic.
Cooperative photoredox and palladium catalysis: recent advances in various functionalization reactions
Authors: Shee Maniklal , Singh N. D. Pradeep
Published: December 2020

Cooperative photoredox and palladium catalysis for various functionalization reactions.
A case study on the conversion of Li/Cl phosphinidenoid into phosphinidene complexes
Authors: Junker Philip , Qu Zheng-Wang , Kalisch Tim , Schnakenburg Gregor , Espinosa Ferao Arturo , Streubel Rainer
Published: December 2020

Transient, thermally very labile Li/Cl phospinidenoid W(CO)5 complexes were generated to yield E–H insertion products in THF while Umpolung occurred in toluene that was shown by trapping with terminal alkenes.
Comparative life cycle assessment of electrochemical upgrading of CO2 to fuels and feedstocks
Authors: Kibria Nabil Shariful , McCoy Sean , Kibria Md Golam
Published: December 2020

Comparative life cycle assessment on electrochemical CO2 reduction products, as compared to thermochemical CO2 reduction and incumbent processes.
Direct dimethyl carbonate synthesis from CO2 and methanol catalyzed by CeO2 and assisted by 2-cyanopyridine: a cradle-to-gate greenhouse gas emission study
Authors: Ohno Hajime , Ikhlayel Mahdi , Tamura Masazumi , Nakao Kenji , Suzuki Kimihito , Morita Kentaro , Kato Yuzuru , Tomishige Keiichi , Fukushima Yasuhiro
Published: December 2020

Rigorous process simulation helps in the qualification of direct CO2 to DMC conversion co-assisted by a catalyst and dehydration agent in GHG emission reduction.
Predicting the fluid behavior of random microfluidic mixers using convolutional neural networks
Authors: Wang Junchao , Zhang Naiyin , Chen Jinkai , Su Guodong , Yao Hailong , Ho Tsung-Yi , Sun Lingling
Published: December 2020

Predicting the fluid behavior of complex microfluidic channel networks using convolutional neural networks.
A low-cost asymmetric carbazole-based hole-transporting material for efficient perovskite solar cells
Authors: Li Xueqiao , Sun Na , Li Zhanfeng , Chen Jinbo , Sun Qinjun , Wang Hua , Hao Yuying
Published: December 2020

Perovskite solar cells (PSCs) have reached their highest efficiency with the state-of-the-art hole-transporting material (HTM) spiro-OMeTAD.
Biphosphinic ruthenium complexes as the promising antimicrobial agents
Authors: de Sousa Aurideia P. , Gondim Ana C. S. , S. Sousa Eduardo H. , de França Lopes Luiz Gonzaga , Teixeira Edson H. , Vasconcelos Mayron A. , Martins Patrícia H. R. , Medeiros Elizabeth J. T. , Batista Alzir A. , Holanda Alda K. M.
Published: December 2020

There is an urgent need for new antimicrobial compounds to combat the growing threat of widespread antibiotic resistance. Ruthenium compounds have shown promising activities including two biphosphinic compounds as described here.
Pharmaceutical salt and salt hydrates of vortioxetine with sulfonic acid to ameliorate the solubility and hygroscopicity via the charge-assisted hydrogen bond assembly
Authors: Du Rongkai , Xu Juan , Li Jing , Zhang Lei , Ning Lifeng , Li Shan
Published: December 2020

Salt forms of vortioxetine (VOT) with three sulfonic acids have been designed and prepared in 1 : 1 stoichiometry ratio, and their crystal structures and physicochemical properties have also been characterized in detail.
Reduced graphene oxide/g-C3N4 modified carbon fibers for high performance fiber supercapacitors
Authors: Ding Mengru , Qu Yuanduo , Zhang Xueyu , Duan Lianfeng , Li Xuesong , Lü Wei
Published: December 2020

The increasing demand for high performance portable electronic devices has promoted the research of flexible energy storage devices, and various devices have been suggested and investigated.
Improved electrochemical performance of lanthanum-modified Na3V2(PO4)3/C cathode materials for sodium-ion batteries
Authors: Huang Hong-bo , Liu Cai-ling , Yang Yue , Luo Shao-hua
Published: December 2020

A series of lanthanum-doped Na3V2−xLax(PO4)3/C (0 ≤ x ≤ 0.03) composites have been fabricated via a simple sol–gel approach.
Cationic dye adsorption and separation at discrete molecular level: first example of an iron cluster with rapid and selective adsorption of methylene blue from aqueous system
Authors: Akhtar Muhammad Nadeem , I. Mantasha , Shahid M. , AlDamen Murad A. , Khalid Muhammad , Akram Muhammad
Published: December 2020

A novel Fe6 cluster was designed as a rare example of any discrete molecule as a highly efficient, selective and rapid functional material for the adsorption of cationic dyes, i.e. methylene blue (MB), from contaminated water bodies.
Design and assembly of a high stability asymmetric supercapacitor based on pseudocapacitive zinc–nickel sulfide nanosheets and fast ion-transport carbon nanosheets
Authors: Sun Kanjun , Wei Ganggang , Zhu Yanrong , Qi Shengliang , Cui Shuzhen , Xu Yipu , Peng Hui , Ma Guofu
Published: December 2020

A novel asymmetric supercapacitor is designed and assembled based on flower-like zinc–nickel sulfides (Zn–Ni–S) positive electrode and pitaya mesocarps-based carbon nanosheets (PMCN) negative electrode, which exhibits an excellent electrochemical performance.
V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism
Authors: Miura Youhei , Kobayashi Kotaro , Yoshioka Naoki
Published: December 2020

V-Shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displayed both solid-state and solution fluorescence, which remarkably changed on exposure to acid vapor.
Unlocking the potential of marine biodiscovery
Authors: Sigwart Julia D. , Blasiak Robert , Jaspars Marcel , Jouffray Jean-Baptiste , Tasdemir Deniz
Published: December 2020

Marine natural products depend on a long research pipeline, starting with taxonomy; to avoid future global crises we must invest in discovery-driven research to prepare novel solutions to unimagined problems.
First-principles exploration of the versatile configurations at an alkynyl-protected coinage metal(111) interface
Authors: Sun Fang , Tang Qing
Published: December 2020

An alkynyl-induced interface shows strong metal sensitivity, where a staple motif dominates for the alkynyl/Au interface, while a bridge motif is preferred for the alkynyl/Ag(Cu) interface.
The rational design of Cu2−xSe@(Co,Cu)Se2core–shell structures as bifunctional electrocatalysts for neutral-pH overall water splitting
Authors: Liu Li , Yang Xiao , Zhao Yuanqing , Yao Bingbing , Hou Yanhua , Fu Wensheng
Published: December 2020

Herein, we designed a Cu2−xSe@(Co,Cu)Se2core–shell structure with ultrathin (Co,Cu)Se2nanosheets anchored as a shell on an internal Cu2−xSe core as an effective bifunctional catalyst under neutral-pH conditions.
Comparison of NiOxthin film deposited by spin-coating or thermal evaporation for application as a hole transport layer of perovskite solar cells
Authors: Kim Su-Kyung , Seok Hae-Jun , Kim Do-Hyung , Choi Dong-Hyeok , Nam Seung-Ju , Kim Suk-Cheol , Kim Han-Ki
Published: December 2020

We compared nickel oxide (NiOx) deposited by thermal evaporation and that deposited by the spin-coating process, for use in the hole transport layers of inverted planar perovskite solar cells (PSCs).
Making sense of sensemaking: using the sensemaking epistemic game to investigate student discourse during a collaborative gas law activity
Authors: Hunter Kevin H. , Rodriguez Jon-Marc G. , Becker Nicole M.
Published: December 2020

Beyond students’ ability to manipulate variables and solve problems, chemistry instructors are also interested in students developing a deeper conceptual understanding of chemistry, that is, engaging in the process of sensemaking. The concept of sensemaking transcends problem-solving and focuses on students recognizing a gap in knowledge and working to construct an explanation that resolves this gap, leading them to “make sense” of a concept. Here, we focus on adapting and applying sensemaking as a framework to analyze three groups of students working through a collaborative gas law activity. The activity was designed around the learning cycle to aid students in constructing the ideal gas law using an interactive simulation. For this analysis, we characterized student discourse using the structural components of the sensemaking epistemic game using a deductive coding scheme. Next, we further analyzed students’ epistemic form by assessing features of the activity and student discourse related to sensemaking: whether the question was framed in a real-world context, the extent of student engagement in robust explanation building, and analysis of written scientific explanations. Our work provides further insight regarding the application and use of the sensemaking framework for analyzing students’ problem solving by providing a framework for inferring the depth with which students engage in the process of sensemaking.
Realizing high hydrogen evolution activity under visible light using narrow band gap organic photocatalysts
Authors: Han Changzhi , Dong Peihua , Tang Haoran , Zheng Peiyun , Zhang Chong , Wang Feng , Huang Fei , Jiang Jia-Xing
Published: December 2020

Narrow band gap conjugated polymer photocatalysts containing dithieno[3,2-b:2′,3′-d]thiophene-S,S-dioxide show an attractive photocatalytic hydrogen evolution rate of 16.32 mmol h−1 g−1 under visible light irradiation.
Energy transduction through FRET in self-assembled soft nanostructures based on surfactants/polymers: current scenario and prospects
Authors: Lone Mohd Sajid , Bhat Parvaiz Ahmad , Afzal Saima , Chat Oyais Ahmad , Dar Aijaz Ahmad
Published: December 2020

Multi-Step FRET in self-assembled Soft Systems.
Progress in recycling organic–inorganic perovskite solar cells for eco-friendly fabrication
Authors: Yang Fengjiu , Wang Shenghao , Dai Pengfei , Chen Luyang , Wakamiya Atushi , Matsuda Kazunari
Published: December 2020

The review paper has systematically summarized and proposed research-based guidance for recycling organic–inorganic perovskite solar cells and ecofriendly fabrication.
Solution-processed and self-powered photodetector in vertical architecture using mixed-halide perovskite for highly sensitive UVC detection
Authors: Nguyen Thi My Huyen , Kim Sangmo , Bark Chung Wung
Published: December 2020

Self-powered and solution-processable halide perovskite-based photodetector exhibited an outstanding on/off photocurrent and superior stability under UVC illumination.
A coupled conductor of ionic liquid with Ti3C2 MXene to improve electrochemical properties
Authors: Yan Fangfang , Zhang Chuan , Wang Haiyan , Zhang Xiaguang , Zhang Hucheng , Jia Huanli , Zhao Yang , Wang Jianji
Published: December 2020

Ionic–electronic coupling activates the “inert” F terminations and banishes the undesired overscreening charge effect from the electrified interfaces to achieve high electrochemical performances.
Boron “gluing” nitrogen heteroatoms in a prepolymerized ionic liquid-based carbon scaffold for durable supercapacitive activity
Authors: Miao Ling , Duan Hui , Zhu Dazhang , Lv Yaokang , Gan Lihua , Li Liangchun , Liu Mingxian
Published: December 2020

Doped boron atoms are bridged to glue more electroactive nitrogen sites on the carbon surface, and the high binding energy of the consequent B–C bonds further consolidates the porous carbon scaffold for durable ion/electron transfer.
Efficient single-atom Ni for catalytic transfer hydrogenation of furfural to furfuryl alcohol
Authors: Fan Yafei , Zhuang Changfu , Li Shangjing , Wang Ying , Zou Xiaoqin , Liu Xiaoteng , Huang Weimin , Zhu Guangshan
Published: December 2020

A single-atom Ni catalyst is utilized for the first time in the catalytic transfer hydrogenation of furfural to furfuryl alcohol.
The study and application of biomolecules in deep eutectic solvents
Authors: Kist Jennifer A. , Zhao Hua , Mitchell-Koch Katie R. , Baker Gary A.
Published: December 2020

Deep eutectic solvents offer stimulating possibilities for biomolecular stabilization and manipulation, biocatalysis, bioextraction, biomass processing, and drug delivery and therapy.
Self-healing and mechanical performance of dynamic glycol chitosan hydrogel nanocomposites
Authors: Efstathiou Spyridon , Wemyss Alan M. , Patias Georgios , Al-Shok Lucas , Grypioti Maria , Coursari Despina , Ma Congkai , Atkins Christophe J. , Shegiwal Ataulla , Wan Chaoying , Haddleton David M.
Published: December 2020

Evaluation of Schiff base nanocomposite hydrogels properties using a benzaldehyde multifunctional amphiphilic polyacrylamide crosslinker in conjunction with glycol chitosan.
First-principles study of aziridinium tin iodide perovskites for photovoltaics
Authors: Teng Qiang , Shi Tingting , Liao Chengwei , Zhao Yu-Jun
Published: December 2020

Perovskite (CH2)2NH2SnI3 and alloy (CH2)2NH2SnI2Br with excellent photovoltaic properties are designed theoretically.
Growth of {100}-oriented lead zirconate titanate thin films mediated by a safe solvent
Authors: Godard Nicolas , Grysan Patrick , Defay Emmanuel , Glinšek Sebastjan
Published: December 2020

1-Methoxy-2-propanol was found to be a promising safe alternative to carcinogenic and teratogenic 2-methoxyethanol as solvent for chemical solution deposition of {100}-oriented lead zirconate titanate thin films on platinized silicon.
Novel triazine derivatives with deep LUMO energy levels as the electron-accepting components of exciplexes
Authors: Guo Jing , Zheng Cai-Jun , Ke Ke , Zhang Ming , Yang Hao-Yu , Zhao Jue-Wen , He Ze-Yu , Lin Hui , Tao Si-Lu , Zhang Xiao-Hong
Published: December 2020

Three novel triazine-based acceptors TRZ-1SO2, TRZ-2SO2 and TRZ-3SO2 were successfully developed with deep LUMO energy levels of −3.38, −3.58 and −3.74 eV, respectively. They will benefit the further development of exciplexes.
Constructing host-σ-guest structures to optimize the efficiency of non-doped solution-processed OLEDs
Authors: Liu Dan , Zhang Meng , Chen Haowen , Ma Daiyu , Tian Wenwen , Sun Kaiyong , Jiang Wei , Sun Yueming
Published: December 2020

Non-doped solution-processed OLEDs based on emitters with host-σ-guest structures showed blue emission with CIE (0.18, 0.31), 24.9 cd A−1 current efficiency and 9.5 lm W−1 power efficiency.
Recent developments in high-performance thermoelectric sulphides: an overview of the promising synthetic colusites
Authors: Guélou Gabin , Lemoine Pierric , Raveau Bernard , Guilmeau Emmanuel
Published: December 2020

This review summarises the current developments in thermoelectric colusites. Particular attention is paid to the intricate relationship between the structure, microstructure and transport properties.
Hydrogen deuterium exchange mass spectrometry identifies the dominant paratope in CD20 antigen binding to the NCD1.2 monoclonal antibody
Authors: Uhrik Lukas , Hernychova Lenka , Muller Petr , Kalathiya Umesh , Lisowska Malgorzata M. , Kocikowski Mikolaj , Parys Maciej , Faktor Jakub , Nekulova Marta , Nortcliffe Chris , Zatloukalova Pavlina , Ruetgen Barbara , Fahraeus Robin , Ball Kathryn L. , Argyle David J. , Vojtesek Borivoj , Hupp Ted R.
Published: December 2020

A comparative canine–human therapeutics model is being developed in B-cell lymphoma through the generation of a hybridoma cell that produces a murine monoclonal antibody specific for canine CD20. The hybridoma cell produces two light chains, light chain-3, and light chain-7. However, the contribution of either light chain to the authentic full-length hybridoma derived IgG is undefined. Mass spectrometry was used to identify only one of the two light chains, light chain-7, as predominating in the full-length IgG. Gene synthesis created a recombinant murine–canine chimeric monoclonal antibody expressing light chain-7 that reconstituted the IgG binding to CD20. Using light chain-7 as a reference sequence, hydrogen deuterium exchange mass spectrometry was used to identify the dominant CDR region implicated in CD20 antigen binding. Early in the deuteration reaction, the CD20 antigen suppressed deuteration at CDR3 (VH). In later time points, deuterium suppression occurred at CDR2 (VH) and CDR2 (VL), with the maintenance of the CDR3 (VH) interaction. These data suggest that CDR3 (VH) functions as the dominant antigen docking motif and that antibody aggregation is induced at later time points after antigen binding. These approaches define a methodology for fine mapping of CDR contacts using nested enzymatic reactions and hydrogen deuterium exchange mass spectrometry. These data support the further development of an engineered, synthetic canine–murine monoclonal antibody, focused on CDR3 (VH), for use as a canine lymphoma therapeutic that mimics the human–murine chimeric anti-CD20 antibody Rituximab.
Mitochondrial tRNA mutations in Chinese children with tic disorders
Authors: Jiang Peifang , Ling Yinjie , Zhu Tao , Luo Xiaoying , Tao Yilin , Meng Feilong , Cheng Weixin , Ji Yanchun
Published: December 2020

Aim: To conduct the clinical, genetic, and molecular characterization of 494 Han Chinese subjects with tic disorders (TD).

Methods: In the present study, we performed the mutational analysis of 22 mitochondrial tRNA genes in a large cohort of 494 Han Chinese subjects with TD via Sanger sequencing. These variants were then assessed for their pathogenic potential via phylogenetic, functional, and structural analyses.

Results: A total of 73 tRNA gene variants (49 known and 24 novel) on 22 tRNA genes were identified. Among these, 18 tRNA variants that were absent or present in <1% of 485 Chinese control patient samples were localized to highly conserved nucleotides, or changed the modified nucleotides, and had the potential structural to alter tRNA structure and function. These variants were thus considered to be TD-associated mutations. In total, 25 subjects carried one of these 18 putative TD-associated tRNA variants with the total prevalence of 4.96%.

Limitations: The phenotypic variability and incomplete penetrance of tic disorders in pedigrees carrying these tRNA mutations suggested the involvement of modifier factors, such as nuclear encoded genes associated mitochondrion, mitochondrial haplotypes, epigenetic, and environmental factors.

Conclusion: Our data provide the evidence that mitochondrial tRNA mutations are the important causes of tic disorders among Chinese population. These findings also advance current understanding regarding the clinical relevance of tRNA mutations, and will guide future studies aimed at elucidating the pathophysiology of maternal tic disorders.
Toxicity profiling of the ethanolic extract of Citrullus lanatus seed in rats: behavioral, biochemical and histopathological aspects
Authors: Belemkar Sateesh , Shendge Parshuram Nivrutti
Published: December 2020

Citrullus lanatus (Cucurbitaceae) is conventionally used for the treatment of urinary tract infection, renal stones, hypertension, diabetes and diarrhoea. Current study evaluates acute and 28 days repeated toxicity ethanolic extract of C. lanatus seed (EECLS) in Wistar rats to measure its safety profile. The single dose (2000 mg/kg BW) of EECLS was administered while in 28 days repeated study 250, 500 and 1000 mg/kg BW were administered orally in rats. Parameters such as biochemical, haematological and histopathological were analysed in subacute toxicity study. During study, no apparent sign of toxicity, behavioural changes and mortality were detected in acutely exposed animals. In 28 days repeated toxicity study, rats did not show significant changes in behaviour, gross pathology, body weight, biochemical and haematological parameters. Abridged serum glucose and cholesterol levels during the study designate their roles in treatment of hyperglycaemic and hyperlipidaemic conditions. No significant difference was observed in histopathology of liver and kidneys of treated rats. The current investigation demonstrated that EECLS is non-toxic below 1000 mg/kg BW and provides protection to some body organs. The data propose that LD50 of EECLS was greater than 2000 mg/kg BW and the no observed adverse effect level (NOAEL) of EECLS was at the dose of 1000 mg/kg in rats. Taken together, our finding suggests that, EECLS is safe and provides some protection to body organs; also, its extract can be used for further preclinical and clinical evaluation for its therapeutic activity.
Association of α-fetoprotein levels with liver stiffness measurement in outpatients with chronic hepatitis B
Authors: Wang Juan , Zhang Pengpeng , Liao Juan , Zhu Yan , Liu Xiaoli , Tang Hong
Published: December 2020

The association between α-fetoprotein (AFP) levels with the assessment of liver stiffness (LS) in chronic hepatitis B (CHB) patients were explored. A total of 283 outpatients with CHB were enrolled. Patient age, alanine aminotransferase (ALT), aspartate aminotransferase (AST), AFP, platelet (PLT), total bilirubin (TB), direct bilirubin (DB), alkaline phosphatase (ALP), albumin (ALB), globulin, and albumin/globulin (A/G) levels were associated with LS values in the univariate model (P<0.05). Significant associations between AFP and PLT levels with LS values were observed when both variables were included in the multivariate analysis models. Receiver operation characteristic (ROC) analysis indicated that the combination of AFP and PLT levels could enhance the predictive performance of liver fibrosis (area under the curve (AUC) = 0.819, P<0.001) and that PLT levels (PLT < 100 × 109/l) combined with high AFP levels (AFP > 8 ng/ml) significantly increased the prediction of liver fibrosis (OR = 11.216). More importantly, LS values associated with higher AFP levels (AFP > 8 ng/ml), independently of higher ALT or AST values, were significantly higher than those of low AFP level groups. In conclusion, in Chinese outpatients with CHB, AFP outperformed ALT and/or AST levels in terms of their association with LS. AFP and PLT levels were independently associated with LS, and their combined assessment could enhance the diagnostic and predictive performance of liver fibrosis among CHB patients.
Real‐time fabric defect detection based on multi‐scale convolutional neural network
Authors: Zhao Shuxuan , Yin Li , Zhang Jie , Wang Junliang , Zhong Ray
Published: December 2020

Fabric defect detection plays an important role in ensuring quality control in the textile manufacturing industry. This study introduces a fabric defect detection method based on a multi‐scale convolutional neural network (MSCNN) to improve accuracy and time efficiency. For detection accuracy, the MSCNN is constructed to obtain different scales of feature maps, which enhance the representation of tiny scale fabric defects. A faster defect locating method is designed with pre‐known size information obtained by clustering analysis to reduce the computation time. An experiment is carried out for illustrating that the accuracy of MSCNN for each defect reaches over 92%, and the frames per second (FPS) is more than 29. Further analysis results demonstrate that the proposed MSCNN can accurately detect the fabric defects with a tiny scale, and the speed of detection can reach 30 m/min to satisfy the industrial requirements.
Novel phasor sequence‐based fault detection scheme for wide‐area backup protection of series‐compensated line
Authors: Anand Shubham , Kalita Kaustav , Parida Sanjoy Kumar
Published: December 2020

For series‐compensated line, the distance relay finds its limitations during voltage inversion, current inversion, load encroachment, power swing and balanced fault during the power swing. These limitations can be overcome by wide‐area backup protection schemes. This study proposes a novel fault detection technique utilising the synchrophasor data of voltage and current signals at system protection centre. The algorithm compares the phase angle difference between positive‐sequence voltage phasor under system intact condition and real‐time positive‐ or negative‐sequence current phasor, which is computed from the synchronised data obtained from phasor data concentrator after identifying the possible critical buses to which the faulted line is connected. Different cases of fault type, distance and resistance have been considered to validate the proposed scheme with 3‐generator, 9‐bus western system coordinating council using MATLAB/Simulink platform. The results justify the suitability of the proposed scheme to be deployed for achieving more reliable performance.
Automatic network capacitive balancing technique for resonant grounded power distribution systems
Authors: Barik Md Abdul , Gargoom Ameen , Mahmud Md Apel , Haque Md Enamul , Cavanagh Martin , Al‐Khalidi Hassan , Oo Aman Maung Than
Published: December 2020

This study presents an automatic network balancing technique to limit the capacitive unbalance in resonant grounded power distribution systems (RGPDSs). The aim of this capacitive balancing technique is to minimise the unbalance current through the line to ground (which is the current through the neutral of the system) in order to automatically limit the neutral voltage. The proposed technique is designed by combining the weighted‐sum technique and genetic algorithm (GA), where distributed switched capacitor banks (SCBs) are used for balancing RGPDSs. The proposed technique is employed to optimise available SCBs for limiting the network unbalance at the substation under a pre‐defined threshold considering all possible network configurations. The unbalances at different locations of the network are also minimised to limit the system unbalance within the threshold due to minor changes in network parameters. Since the lifetime of capacitor banks relies on the switching, the proposed technique is designed in such a way that the system balance is achieved with the minimum switching. The performance of the proposed technique is evaluated through simulation studies in MATLAB/SimpowerSystems environment. Simulation results show that the proposed technique works well and capable to maintain the capacitive balance of the system with changes in network configurations.
Dynamic switching control of buck converters using unsupervised machine learning methods
Authors: Abegaz Brook W.
Published: December 2020

This study presents the implementation of a new unsupervised machine learning based system called a buck converter controller using unsupervised machine learning (ABCML) to control the operation of a type of switching voltage regulators, commonly called buck converters. The system uses the voltage and current state variables of buck converters to evaluate four switching‐based clustering algorithms, namely a Gaussian mixture model, a self‐organising mapping (SOM), a k ‐means clustering and a hierarchical clustering algorithm. Step response results of the controller implementation with the buck converter show that the SOM controller improves the performance of the voltage regulator system by 99.77% in terms of voltage overshoot and by 63.24% in terms of fall time, whereas the hierarchical clustering algorithm improves the settling time of the output voltage by 3.91%. This finding of optimal machine learning implementation approaches and their comparison could be used to improve the stability and the performance of switching voltage regulation systems which are widely used in electronic systems of today.
The hot interstellar medium towards 4U 1820-30: a Bayesian analysis
Authors: Rogantini D. , Costantini E. , Mehdipour M. , Kuiper L. , Ranalli P. , Waters L. B. F. M.
Published: December 2020

Context. High-ionisation lines in the soft X-ray band are generally associated to either interstellar hot gas along the line of sight or to photoionised gas intrinsic to the source. In the low-mass X-ray binary 4U 1820-30, the nature of these lines is not well understood.

Aims. We aim to characterise the ionised gas present along the line of sight towards 4U 1820-30 producing the X-ray absorption lines of Mg XI, Ne IX, Fe XVII, O VII, and O VIII.

Methods. We analysed all the observations available for this source in the XMM-Newton and Chandra archives that were taken with the RGS, HETG, and LETG spectrometers. We accurately examined the high-resolution grating spectra using a standard X-ray analysis procedure based on the C-statistic and using Bayesian parameter inference. We tested two physical models which describe a plasma in either collisional ionisation or photoionisation equilibrium. We adopted the Bayesian model comparison to statistically compare the different combinations of models used for the analysis.

Results. We find that the lines are consistent with hot gas in the interstellar medium rather than the intrinsic gas of the X-ray binary. Our best-fit model reveals the presence of a collisionally ionised plasma with a temperature of T = (1.98 ± 0.05) × 106 K. The photoionisation model fails to fit the Fe XVII line (which is detected with a significance of 6.5σ) because of the low column density predicted by the model. Moreover, the low inclination of the binary system is likely the reason for the non-detection of ionised gas intrinsic to the source.