bluuebunny/crossref_metadata_2025 huggingface dataset:
Zwischen Kooperation und Grenzziehung – Aushandlungen von Sicherheitsbehörden und Akteur*innen Sozialer Arbeit in der Radikalisierungsprävention
Authors: Figlestahler Carmen , Schau Katja
Published: December 2020

Die Herstellung verschiedener Formen von Sicherheit sowie die Zusammenarbeit mit Sicherheitsbehörden sind in unterschiedlichen Arbeitsfeldern der Sozialen Arbeit relevant. Im vorliegenden Beitrag wird dieser allgemeine Sachverhalt für den speziellen Bereich der indizierten Prävention und Ausstiegsarbeit von demokratiefeindlichem Islamismus betrachtet. Hier spielen Narrative der Abwehr potenzieller Gefahren für die innere Sicherheit eine besondere Rolle und es werden mitunter sehr konkrete Kooperationserwartungen von Sicherheitsbehörden an Soziale Arbeit gestellt. Jedoch gibt es bisher wenige empirisch fundierte Analysen, welche die Auswirkungen dieser vergleichsweise engeren Kooperationen auf die praktische Bearbeitung von demokratiefeindlichem Islamismus bzw. die Aushandlung von Zuständigkeiten untersuchen. Anhand einer qualitativen Fallstudie zum regionalen Kooperationsarrangement untersuchen wir die multiprofessionelle Problembearbeitung von demokratiefeindlichem Islamismus und gehen der Frage nach, wie Informationsweitergaben und Grundprinzipien der Arbeit zwischen sicherheitsbehördlichen und sozialpädagogischen Akteur*innen ausgehandelt werden. Dabei zeigt sich beispielsweise, dass sozialpädagogische Akteur*innen Kooperationsanforderungen der Sicherheitsbehörden nicht einfach übernehmen, sondern durchaus selbstbewusste Grenzen der Zuständigkeiten mit Rückgriff auf grundlegende fachliche Prinzipien ziehen.
Percutaneous thrombectomy using a novel single session device for acute iliofemoral deep vein thrombosis
Authors: O’Sullivan Gerard
Published: December 2020

Summary: A 74-year-old woman presented with acute symptomatic left thigh and calf swelling; imaging demonstrated evidence of occlusive thrombosis from the upper left common iliac vein to the mid-thigh. Single session zero-thrombolysis venous thrombectomy was performed using the ReVeneTM Thrombectomy Catheter.
Drivers of Upper Atmosphere Climate Change
Authors: Stanley Sarah
Published: December 2020

New research confirms the influence of carbon dioxide on long-term temperature trends in the upper atmosphere, but changes in Earth’s magnetic field also play a key role.
Feedback Loops of Fire Activity and Climate Change in Canada
Authors: Sidik Saima
Published: December 2020

New research documents how a warming climate contributes to patterns in wildfire severity and frequency and how the fires contribute to climate change.
Exploring the impact of cancer registry completeness on international cancer survival differences: a simulation study
Authors: Andersson Therese M.-L. , Rutherford Mark J. , Myklebust Tor Åge , Møller Bjørn , Soerjomataram Isabelle , Arnold Melina , Bray Freddie , Parkin D. Max , Sasieni Peter , Bucher Oliver , De Prithwish , Engholm Gerda , Gavin Anna , Little Alana , Porter Geoff , Ramanakumar Agnihotram V. , Saint-Jacques Nathalie , Walsh Paul M. , Woods Ryan R. , Lambert Paul C.
Published: December 2020

Background

Data from population-based cancer registries are often used to compare cancer survival between countries or regions. The ICBP SURVMARK-2 study is an international partnership aiming to quantify and explore the reasons behind survival differences across high-income countries. However, the magnitude and relevance of differences in cancer survival between countries have been questioned, as it is argued that observed survival variations may be explained, at least in part, by differences in cancer registration practice, completeness and the availability and quality of the respective data sources.

Methods

As part of the ICBP SURVMARK-2 study, we used a simulation approach to better understand how differences in completeness, the characteristics of those missed and inclusion of cases found from death certificates can impact on cancer survival estimates.

Results

Bias in 1- and 5-year net survival estimates for 216 simulated scenarios is presented. Out of the investigated factors, the proportion of cases not registered through sources other than death certificates, had the largest impact on survival estimates.

Conclusion

Our results show that the differences in registration practice between participating countries could in our most extreme scenarios explain only a part of the largest observed differences in cancer survival.
Regulating the pore structure and oxygen vacancies of cobaltosic oxide hollow dodecahedra for an enhanced oxygen evolution reaction
Authors: Xiao Yao , Wang Yibo , Xiao Meiling , Liu Changpeng , Hou Shuai , Ge Junjie , Xing Wei
Published: December 2020

Engineering an electrocatalytic anode material to boost reaction kinetics is highly desirable for the anodic oxygen evolution reaction (OER), which is the major obstacle for high efficiency water electrolysis. Here, we present a novel kind of Zn-doped Co3O4 hollow dodecahedral electrocatalyst. Abundant oxygen vacancy defects are introduced due to the incorporation of Zn2+, which is beneficial for OH− adsorption and the charge transfer reaction during the OER process. Moreover, the increase in surface area caused by the advanced structure of the hollow porous dodecahedra facilitates mass transport by increasing the surface area. The novel strategy proposed in this study provides an efficient way to design high-performance electrocatalysts for water electrolysis.
Asymmetric construction of tetrahedral chiral zinc with high configurational stability and catalytic activity
Authors: Endo Kenichi , Liu Yuanfei , Ube Hitoshi , Nagata Koichi , Shionoya Mitsuhiko
Published: December 2020

Chiral metal complexes show promise as asymmetric catalysts and optical materials. Chiral-at-metal complexes composed of achiral ligands have expanded the versatility and applicability of chiral metal complexes, especially for octahedral and half-sandwich complexes. However, Werner-type tetrahedral complexes with a stereogenic metal centre are rarely used as chiral-at-metal complexes because they are too labile to ensure the absolute configuration of the metal centre. Here we report the asymmetric construction of a tetrahedral chiral-at-zinc complex with high configurational stability, using an unsymmetric tridentate ligand. Coordination/substitution of a chiral auxiliary ligand on zinc followed by crystallisation yields an enantiopure chiral-only-at-zinc complex (> 99% ee). The enantiomer excess remains very high at 99% ee even after heating at 70 °C in benzene for one week. With this configurationally stable zinc complex of the tridentate ligand, the remaining one labile site on the zinc can be used for a highly selective asymmetric oxa-Diels-Alder reaction (98% yield, 87% ee) without substantial racemisation.
Demonstration of non-Markovian process characterisation and control on a quantum processor
Authors: White G. A. L. , Hill C. D. , Pollock F. A. , Hollenberg L. C. L. , Modi K.
Published: December 2020

In the scale-up of quantum computers, the framework underpinning fault-tolerance generally relies on the strong assumption that environmental noise affecting qubit logic is uncorrelated (Markovian). However, as physical devices progress well into the complex multi-qubit regime, attention is turning to understanding the appearance and mitigation of correlated — or non-Markovian — noise, which poses a serious challenge to the progression of quantum technology. This error type has previously remained elusive to characterisation techniques. Here, we develop a framework for characterising non-Markovian dynamics in quantum systems and experimentally test it on multi-qubit superconducting quantum devices. Where noisy processes cannot be accounted for using standard Markovian techniques, our reconstruction predicts the behaviour of the devices with an infidelity of 10−3. Our results show this characterisation technique leads to superior quantum control and extension of coherence time by effective decoupling from the non-Markovian environment. This framework, validated by our results, is applicable to any controlled quantum device and offers a significant step towards optimal device operation and noise reduction.
Author Correction: Abiraterone acetate preferentially enriches for the gut commensal Akkermansia muciniphila in castrate-resistant prostate cancer patients
Authors: Daisley Brendan A. , Chanyi Ryan M. , Abdur-Rashid Kamilah , Al Kait F. , Gibbons Shaeley , Chmiel John A. , Wilcox Hannah , Reid Gregor , Anderson Amanda , Dewar Malcolm , Nair Shiva M. , Chin Joseph , Burton Jeremy P.
Published: December 2020

A Correction to this paper has been published: https://doi.org/10.1038/s41467-020-20410-x
Release of a liver anticancer drug, sorafenib from its PVA/LDH- and PEG/LDH-coated iron oxide nanoparticles for drug delivery applications
Authors: Ebadi Mona , Bullo Saifullah , Buskara Kalaivani , Hussein Mohd Zobir , Fakurazi Sharida , Pastorin Giorgia
Published: December 2020

The use of nanocarriers composed of polyethylene glycol- and polyvinyl alcohol-coated vesicles encapsulating active molecules in place of conventional chemotherapy drugs can reduce many of the chemotherapy-associated challenges because of the increased drug concentration at the diseased area in the body. The present study investigated the structure and magnetic properties of iron oxide nanoparticles in the presence of polyvinyl alcohol and polyethylene glycol as the basic surface coating agents. We used superparamagnetic iron oxide nanoparticles (FNPs) as the core and studied their effectiveness when two polymers, namely polyvinyl alcohol (PVA) and polyethylene glycol (PEG), were used as the coating agents together with magnesium–aluminum-layered double hydroxide (MLDH) as the nanocarrier. In addition, the anticancer drug sorafenib (SO), was loaded on MLDH and coated onto the surface of the nanoparticles, to best exploit this nano-drug delivery system for biomedical applications. Samples were prepared by the co-precipitation method, and the resulting formation of the nanoparticles was confirmed by X-ray, FTIR, TEM, SEM, DLS, HPLC, UV–Vis, TGA and VSM. The X-ray diffraction results indicated that all the as-synthesized samples contained highly crystalline and pure Fe3O4. Transmission electron microscopy analysis showed that the shape of FPEGSO-MLDH nanoparticles was generally spherical, with a mean diameter of 17 nm, compared to 19 nm for FPVASO-MLDH. Fourier transform infrared spectroscopy confirmed the presence of nanocarriers with polymer-coating on the surface of iron oxide nanoparticles and the existence of loaded active drug consisting of sorafenib. Thermogravimetric analyses demonstrated the thermal stability of the nanoparticles, which displayed enhanced anticancer effect after coating. Vibrating sample magnetometer (VSM) curves of both produced samples showed superparamagnetic behavior with the high saturation magnetization of 57 emu/g for FPEGSO-MLDH and 49 emu/g for FPVASO-MLDH. The scanning electron microscopy (SEM) images showed a narrow size distribution of both final samples. The SO drug loading and the release behavior from FPEGSO-MLDH and FPVASO-MLDH were assessed by ultraviolet–visible spectroscopy. This evaluation showed around 85% drug release within 72 h, while 74% of sorafenib was released in phosphate buffer solution at pH 4.8. The release profiles of sorafenib from the two designed samples were found to be sustained according to pseudo-second-order kinetics. The cytotoxicity studies confirmed the anti-cancer activity of the coated nanoparticles loaded with SO against liver cancer cells, HepG2. Conversely, the drug delivery system was less toxic than the pure drug towards fibroblast-type 3T3 cells.
Research on residual GM optimization based on PEMEA-BP correction
Authors: Duan Junhang , Zhu Ling , Xing Wei , Zhang Xi , Peng Zhong , Gou Huating
Published: December 2020

With the advantages of small samples and high accuracy, Grey Model (GM) still has two major problems need to be addressed, high input data requirements and large margin of error. Hence, this paper proposes an algorithm based on Populational Entropy Based Mind Evolutionary Algorithm-Error Back Propagation Training Artificial Neural Algorithm to modify GM residual tail, which will not only keep the advantages of GM, but also expand its scope of use to various non-linear and even multidimensional objects. Meanwhile, it can avoid defects of other algorithms, such as slow convergence and easy to fall into the local minimum. In small samples data experiments, judging from SSE, MAE, MSE, MAPE, MRE and other indicators, this new algorithm has significant advantage over GM, BP algorithm and combined genetic algorithm in terms of simulation accuracy and convergence speed.
Biosafety evaluation of culture-expanded human chondrocytes with growth factor cocktail: a preclinical study
Authors: Al-Masawa Maimonah-Eissa , Wan Kamarul Zaman Wan Safwani , Chua Kien-Hui
Published: December 2020

The scarcity of chondrocytes is a major challenge for cartilage tissue engineering. Monolayer expansion is necessary to amplify the limited number of chondrocytes needed for clinical application. Growth factors are often added to improve monolayer culture conditions, promoting proliferation, and enhancing chondrogenesis. Limited knowledge on the biosafety of the cell products manipulated with growth factors in culture has driven this study to evaluate the impact of growth factor cocktail supplements in chondrocyte culture medium on chondrocyte genetic stability and tumorigenicity. The growth factors were basic fibroblast growth factor (b-FGF), transforming growth factor β2 (TGF β2), insulin-like growth factor 1 (IGF-1), insulin-transferrin-selenium (ITS), and platelet-derived growth factor (PD-GF). Nasal septal chondrocytes cultured in growth factor cocktail exhibited a significantly high proliferative capacity. Comet assay revealed no significant DNA damage. Flow cytometry showed chondrocytes were mostly at G0-G1 phase, exhibiting normal cell cycle profile with no aneuploidy. We observed a decreased tumour suppressor genes’ expression (p53, p21, pRB) and no TP53 mutations or tumour formation after 6 months of implantation in nude mice. Our data suggest growth factor cocktail has a low risk of inducing genotoxic and tumorigenic effects on chondrocytes up to passage 6 with 16.6 population doublings. This preclinical tumorigenicity and genetic instability evaluation is crucial for further clinical works.
Strategic spatiotemporal vaccine distribution increases the survival rate in an infectious disease like Covid-19
Authors: Grauer Jens , Löwen Hartmut , Liebchen Benno
Published: December 2020

Present hopes to conquer the Covid-19 epidemic are largely based on the expectation of a rapid availability of vaccines. However, once vaccine production starts, it will probably take time before there is enough vaccine for everyone, evoking the question how to distribute it best. While present vaccination guidelines largely focus on individual-based factors, i.e. on the question to whom vaccines should be provided first, e.g. to risk groups or to individuals with a strong social-mixing tendency, here we ask if a strategic spatiotemporal distribution of vaccines, e.g. to prioritize certain cities, can help to increase the overall survival rate of a population subject to an epidemic disease. To this end, we propose a strategy for the distribution of vaccines in time and space, which sequentially prioritizes regions with the most new cases of infection during a certain time frame and compare it with the standard practice of distributing vaccines demographically. Using a simple statistical model we find that, for a locally well-mixed population, the proposed strategy strongly reduces the number of deaths (by about a factor of two for basic reproduction numbers of $$R_0\sim 1.5-4$$

R
0

∼
1.5
-
4

and by about 35% for $$R_0\sim 1$$

R
0

∼
1

). The proposed vaccine distribution strategy establishes the idea that prioritizing individuals not only regarding individual factors, such as their risk of spreading the disease, but also according to the region in which they live can help saving lives. The suggested vaccine distribution strategy can be tested in more detailed models in the future and might inspire discussions regarding the importance of spatiotemporal distribution rules for vaccination guidelines.
Ex-vivo recellularisation and stem cell differentiation of a decellularised rat dental pulp matrix
Authors: Matoug-Elwerfelli Manal , Nazzal Hani , Raif El Mostafa , Wilshaw Stacy-Paul , Esteves Filomena , Duggal Monty
Published: December 2020

Implementing the principles of tissue engineering within the clinical management of non-vital immature permanent teeth is of clinical interest. However, the ideal scaffold remains elusive. The aim of this work was to assess the feasibility of decellularising rat dental pulp tissue and evaluate the ability of such scaffold to support stem cell repopulation. Rat dental pulps were retrieved and divided into control and decellularised groups. The decellularisation protocol incorporated a low detergent concentration and hypotonic buffers. After decellularisation, the scaffolds were characterised histologically, immunohistochemistry and the residual DNA content quantified. Surface topography was also viewed under scanning electron microscopy. Biocompatibility was evaluated using cytotoxicity assays utilising L-929 cell line. Decellularised scaffolds were recellularised with human dental pulp stem cells up to 14 days in vitro. Cellular viability was assessed using LIVE/DEAD stain kit and the recellularised scaffolds were further assessed histologically and immunolabelled using makers for odontoblastic differentiation, cytoskeleton components and growth factors. Analysis of the decellularised scaffolds revealed an acellular matrix with histological preservation of structural components. Decellularised scaffolds were biocompatible and able to support stem cell survival following recellularisation. Immunolabelling of the recellularised scaffolds demonstrated positive cellular expression against the tested markers in culture. This study has demonstrated the feasibility of developing a biocompatible decellularised dental pulp scaffold, which is able to support dental pulp stem cell repopulation. Clinically, decellularised pulp tissue could possibly be a suitable scaffold for use within regenerative (reparative) endodontic techniques.
Evolutionary divergence of novel open reading frames in cichlids speciation
Authors: Puntambekar Shraddha , Newhouse Rachel , San-Miguel Jaime , Chauhan Ruchi , Vernaz Grégoire , Willis Thomas , Wayland Matthew T. , Umrania Yagnesh , Miska Eric A. , Prabakaran Sudhakaran
Published: December 2020

Novel open reading frames (nORFs) with coding potential may arise from noncoding DNA. Not much is known about their emergence, functional role, fixation in a population or contribution to adaptive radiation. Cichlids fishes exhibit extensive phenotypic diversification and speciation. Encounters with new environments alone are not sufficient to explain this striking diversity of cichlid radiation because other taxa coexistent with the Cichlidae demonstrate lower species richness. Wagner et al. analyzed cichlid diversification in 46 African lakes and reported that both extrinsic environmental factors and intrinsic lineage-specific traits related to sexual selection have strongly influenced the cichlid radiation, which indicates the existence of unknown molecular mechanisms responsible for rapid phenotypic diversification, such as emergence of novel open reading frames (nORFs). In this study, we integrated transcriptomic and proteomic signatures from two tissues of two cichlids species, identified nORFs and performed evolutionary analysis on these nORF regions. Our results suggest that the time scale of speciation of the two species and evolutionary divergence of these nORF genomic regions are similar and indicate a potential role for these nORFs in speciation of the cichlid fishes.
Photon versus carbon ion irradiation: immunomodulatory effects exerted on murine tumor cell lines
Authors: Hartmann Laura , Schröter Philipp , Osen Wolfram , Baumann Daniel , Offringa Rienk , Moustafa Mahmoud , Will Rainer , Debus Jürgen , Brons Stephan , Rieken Stefan , Eichmüller Stefan B.
Published: December 2020

While for photon radiation hypofractionation has been reported to induce enhanced immunomodulatory effects, little is known about the immunomodulatory potential of carbon ion radiotherapy (CIRT). We thus compared the radio-immunogenic effects of photon and carbon ion irradiation on two murine cancer cell lines of different tumor entities. We first calculated the biological equivalent doses of carbon ions corresponding to photon doses of 1, 3, 5, and 10 Gy of the murine breast cancer cell line EO771 and the OVA-expressing pancreatic cancer cell line PDA30364/OVA by clonogenic survival assays. We compared the potential of photon and carbon ion radiation to induce cell cycle arrest, altered surface expression of immunomodulatory molecules and changes in the susceptibility of cancer cells to cytotoxic T cell (CTL) mediated killing. Irradiation induced a dose-dependent G2/M arrest in both cell lines irrespective from the irradiation source applied. Likewise, surface expression of the immunomodulatory molecules PD-L1, CD73, H2-Db and H2-Kb was increased in a dose-dependent manner. Both radiation modalities enhanced the susceptibility of tumor cells to CTL lysis, which was more pronounced in EO771/Luci/OVA cells than in PDA30364/OVA cells. Overall, compared to photon radiation, the effects of carbon ion radiation appeared to be enhanced at higher dose range for EO771 cells and extenuated at lower dose range for PDA30364/OVA cells. Our data show for the first time that equivalent doses of carbon ion and photon irradiation exert similar immunomodulating effects on the cell lines of both tumor entities, highlighted by an enhanced susceptibility to CTL mediated cytolysis in vitro.
Fused isoselenazolium salts suppress breast cancer cell growth by dramatic increase in pyruvate-dependent mitochondrial ROS production
Authors: Makrecka-Kuka Marina , Dimitrijevs Pavels , Domracheva Ilona , Jaudzems Kristaps , Dambrova Maija , Arsenyan Pavel
Published: December 2020

The development of targeted drugs for the treatment of cancer remains an unmet medical need. This study was designed to investigate the mechanism underlying breast cancer cell growth suppression caused by fused isoselenazolium salts. The ability to suppress the proliferation of malignant and normal cells in vitro as well as the effect on NAD homeostasis (NAD+, NADH, and NMN levels), NAMPT inhibition and mitochondrial functionality were studied. The interactions of positively charged isoselenazolium salts with the negatively charged mitochondrial membrane model were assessed. Depending on the molecular structure, fused isoselenazolium salts display nanomolar to high micromolar cytotoxicities against MCF-7 and 4T1 breast tumor cell lines. The studied compounds altered NMN, NAD+, and NADH levels and the NAD+/NADH ratio. Mitochondrial functionality experiments showed that fused isoselenazolium salts inhibit pyruvate-dependent respiration but do not directly affect complex I of the electron transfer system. Moreover, the tested compounds induce an immediate dramatic increase in the production of reactive oxygen species. In addition, the isoselenazolothiazolium derivative selectively binds to cardiolipin in a liposomal model. Isoselenazolium salts may be a promising platform for the development of potent drug candidates for anticancer therapy that impact mitochondrial pyruvate-dependent metabolism in breast cancer cells.
Genetic analyses reveal temporal stability and connectivity pattern in blue and red shrimp Aristeus antennatus populations
Authors: Agulló Melania , Heras Sandra , García-Marín José-Luis , Vera Manuel , Planella Laia , Roldán María Inés
Published: December 2020

Temporal variability of the genetic structure and connectivity patterns of the blue and red shrimp Aristeus antennatus in the seven most important fishing grounds of the Western Mediterranean Sea, were assessed using twelve microsatellite loci during 2 consecutive years (2016 and 2017), in a total of 1403 adult individuals. A high level of geographical connectivity among groups was observed in the two studied years. In fact, no significant geographical differentiation was found in 2016 (FST = 0.0018, p > 0.05), whereas it was indicated in 2017 (FST = 0.0025, p < 0.05). This small divergence in 2017 was not attributed to the distance among locations nor to the effect of the Ibiza Channel. Significant allele frequency changes were found at local level between the 2 years (FCT = 0.0006, p < 0.05), mainly due to Blanes’ fishing ground. Larval dispersal from the North to the South through the main superficial current supports the high level of connectivity pattern found. The temporal genetic instability detected in the Blanes’ fishing ground could be explained by oceanographic temporary features. Our findings evidence only one biological unit in the study region and establish the baseline for an inter-federal management plan of A. antennatus.
Author Correction: Casimir forces exerted by epsilon-near-zero hyperbolic materials
Authors: Nefedov Igor S. , Rubi J. Miguel
Published: December 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Evaluating insect-host interactions as a driver of species divergence in palm flower weevils
Authors: de Medeiros Bruno A. S. , Farrell Brian D.
Published: December 2020

Plants and their specialized flower visitors provide valuable insights into the evolutionary consequences of species interactions. In particular, antagonistic interactions between insects and plants have often been invoked as a major driver of diversification. Here we use a tropical community of palms and their specialized insect flower visitors to test whether antagonisms lead to higher population divergence. Interactions between palms and the insects visiting their flowers range from brood pollination to florivory and commensalism, with the latter being species that feed on decaying–and presumably undefended–plant tissues. We test the role of insect-host interactions in the early stages of diversification of nine species of beetles sharing host plants and geographical ranges by first delimiting cryptic species and then using models of genetic isolation by environment. The degree to which insect populations are structured by the genetic divergence of plant populations varies. A hierarchical model reveals that this variation is largely uncorrelated with the kind of interaction, showing that antagonistic interactions are not associated with higher genetic differentiation. Other aspects of host use that affect plant-associated insects regardless of the outcomes of their interactions, such as sensory biases, are likely more general drivers of insect population divergence.
Computational Spectroscopy and Photophysics in Complex Biological Systems: Towards anIn SilicoPhotobiology
Authors: Francés-Monerris Antonio , Marazzi Marco , Besancenot Vanessa , Grandemange Stéphanie , Assfeld Xavier , Monari Antonio
Published: December 2020

In this chapter we report a selection and critical analysis of the use of molecular modelling and simulations techniques to tackle problems related to the interaction between light and matter in macromolecular systems of biological relevance. After a brief recall of the importance and limitations of hybrid quantum mechanics/molecular mechanics (QM/MM) techniques to include the effects owing to the complex and inhomogeneous environments, we concentrate on the calculation of absorption and emission spectra. We also underline, through an ensemble of specific examples, the necessity of taking into account a proper sampling of the conformational space of the chromophores to include the effects of the thermal and vibrational motion on the optical properties. The same protocols are also applied to the study of circular dichroism spectra, allowing study of the properties of complex aggregates and clearly matching the optical properties with the structure. Finally, we illustrate how modern computational chemistry can allow understanding of the evolution of the excited states, either via an exploration of the potential energy surfaces or by a dynamic approach, and hence solving problems related to their photochemical evolution. We clearly show, through a collection of examples and a pedagogical approach that is suitable for the non-specialist reader, how molecular modelling and simulation can nowadays solve complex problems in complex systems, hence paving the way to the veritable development of in silico photobiology.
Health Risks of Transplacental Exposure to Endocrine Disruptors
Authors: Aung Max T. , Aker Amira M. , Meeker John D.
Published: December 2020

Prenatal exposures to environmental toxicants may influence fetal development and children's health later in life. The placenta is a critical reproductive organ that regulates fetal nutrient supply and protects the fetus from environmental perturbations. Transplacental exposures are important due to their direct contact with the fetal circulation. Exposure assessment and epidemiology studies can assess transplacental exposures by measuring toxicants in several tissues, including placental tissue, amniotic fluid, cord blood, and samples from newborns (e.g. nail clippings and hair). This chapter reviews epidemiological studies of transplacental exposures to endocrine disrupting toxicants in association with child health outcomes. This review reports findings from studies that provide evidence of increased risk for adverse birth outcomes, child metabolic disorders, neurodevelopmental outcomes, and reproductive disorders in association with transplacental exposures to several toxicant classes. However, we also discuss studies that reported either null findings or protective associations for health effects related to transplacental exposures. The differences in reported associations may be a function of multiple factors, including differences in exposure distribution across populations, exposure assessment techniques, and temporal nuances in metabolism of toxicant classes. The major gap in this literature is the evaluation of joint associations of toxicant mixtures wherein the health effects of a given toxicant may be influenced by co-exposures to other toxicants. Future studies should incorporate comprehensive mixtures analyses to better characterize the effects of transplacental exposures to endocrine disrupting toxicants.
Endocrine Disrupting Chemicals in Clothing and Cosmetics
Authors: Catone T. , Attias L. , Mantovani A.
Published: December 2020

This chapter provides a review of the substances known to be, or suspected of being, endocrine disrupting chemicals (EDCs) which are commonly present in everyday products, focusing on cosmetics (personal care products) and clothing. Risk assessment of EDCs in the general population should duly take into account the potentially widespread presence in these articles, together with other sources (aggregate exposure); moreover, the combined exposure to different EDCs contained in the same types of product should also be assessed. Chemicals used in clothing as water repellents, flame retardants, biocides etc. include both recognized EDCs (phthalates, polybrominated diphenyl ethers, perfluoroalkyl substances) and substances that can release EDCs (alkylphenols, dioxins). In cosmetics, an indicative priority list in the EU includes 14 substances: benzophenone-3, kojic acid, 4-methylbenzylidene camphor, propylparaben, triclosan, resorcinol, octocrylene, triclocarban, butylated hydroxytoluene (BHT), benzophenone, homosalate, benzyl salicylate, genistein and daidzein. Many EDCs are subject to actions at the community level to minimize their effects on human health and on the environment. These actions involve replacing the identified substances or reducing the levels of the substance contained in the products. An overview of the regulatory actions at European Union (EU) and at worldwide level is included. In particular, hazardous substances, including EDCs, used in a variety of articles, products and manufacturing processes around the globe are collected in the SIN list. The SIN acronym – substitute it now – implies that these chemicals should be removed as soon as possible as they pose a threat to human health and the environment.
Cotton cloth templated in situ encapsulation of sulfur into carbon fibers for lithium–sulfur batteries
Authors: Raulo Avinash , Gupta Amit , Srivastava Rajiv , Nandan Bhanu
Published: December 2020

For energy storage applications, sulfur was in situ synthesized and encapsulated inside carbon fibers by using waste cotton textiles as the fiber template.
Encapsulating organic guest cations in anionic MOFs that exhibit multi-responsive photochromism and photocontrolled luminescence
Authors: Liu Jian-Jun , Xia Shu-Biao , Liu Dan , Liu Jiaming , Cheng Fei-Xiang
Published: December 2020

Two MOF-based host–guest compounds were prepared by incorporating viologen into an anionic framework, and exhibited photochromism upon irradiation with various light sources. Moreover, their luminescence properties can be switched by irradiation.
Non-stoichiometric molybdenum sulfide clusters and their reactions with the hydrogen molecule
Authors: Chen Yan , Deng Jia-Jun , Yao Wen-Wen , Gurti Joseph Israel , Li Wei , Wang Wen-Jie , Yao Jian-Xi , Ding Xun-Lei
Published: December 2020

The emptybridge site of Mo–Mo in non-stoichiometric molybdenum sulfide clusters may act a bridge for H atom transfer and be beneficial for hydrogen evolution reaction.
Ultrathin vanadium hydroxide nanosheets assembled on the surface of Ni–Fe-layered hydroxides as hierarchical catalysts for the oxygen evolution reaction
Authors: Tang Jiaruo , Jiang Xiaoli , Tang Lin , Li Yao , Zheng Qiaoji , Huo Yu , Lin Dunmin
Published: December 2020

Developing state-of-the-art non-noble metal catalysts for the oxygen evolution reaction holds a key to the production of electrolytic hydrogen.
Regioselective B(3)–H bond activation based on ano-carboranyl dithiocarboxylate ligand and its derivatives
Authors: Yuan Run-Ze , Cui Peng-Fei , Guo Shu-Ting , Jin Guo-Xin
Published: December 2020

Using methyldithiocarboxyl as the directing group, together with [Cp*IrCl2]2, selective B(3)–H activation occurs ato-carborane. A series of substitution complexes have been prepared from the B(3)–H activated complex.
9.7%-efficient Sb2(S,Se)3 solar cells with a dithieno[3,2-b: 2′,3′-d]pyrrole-cored hole transporting material
Authors: Jiang Chenhui , Zhou Jie , Tang Rongfeng , Lian Weitao , Wang Xiaomin , Lei Xunyong , Zeng Hualing , Zhu Changfei , Tang Weihua , Chen Tao
Published: December 2020

An efficient device based on the Sb2(S,Se)3/DTPTHMe-ThTPA heterojunction offers an effective approach to engineer the interfacial carrier transport path for high power conversion efficiency.
High precision cadmium isotope analysis of geological reference materials by double spike MC-ICP-MS
Authors: Peng Huan , He Dong , Guo Rui , Liu Xing , Belshaw Nicholas S. , Zheng Hongtao , Hu Shenghong , Zhu Zhenli
Published: December 2020

The effect of the DS ratio is evaluated and a correction approach is proposed to improve the accuracy and robustness of the proposed DS Cd isotope analysis.
Nitric oxide as a therapeutic option for COVID-19 treatment: a concise perspective
Authors: Mir Jan Mohammad , Maurya Ram Charitra
Published: December 2020

Among several possible therapies applicable for treating COVID-19, nitric oxide therapy has also gained considerable interest. This article describes the same with mechanistic details.
Miscibility, microstructure, and in situ cure analysis of epoxy–SAN–cloisite 20A nanocomposites
Authors: Surendran Anu , Pionteck Jűrgen , Malanin Mikhail , Vogel Roland , Kalarikkal Nandakumar , Thomas Sabu
Published: December 2020

Reaction induced phase separation is a characteristic of thermoset/thermoplastic blend systems.
Photocatalytic antifouling coating based on carbon nitride with dynamic acrylate boron fluorinated polymers
Authors: Zhang Zixu , Li Yakun , Chen Rongrong , Liu Qi , Liu Jingyuan , Yu Jing , Zhang Hongsen , Song Dalei , Wang Jun
Published: December 2020

Study on the preparation and properties of an environmentally friendly photocatalytic antifouling coating.
Degradation of gaseous unsymmetrical dimethylhydrazine by vacuum ultraviolet coupled with MnO2
Authors: Huang Yuanzheng , Jia Ying , Shen Keke , Hou Ruomeng , Zhang Yongyong , Hou Li’an
Published: December 2020

Enhanced degradation of gaseous UDMH under VUV irradiation by catalytic ozonation with MnO2.
DNAzyme concatemer-catalyzed precipitation on an interdigitated micro-comb electrode for capacitance immunosensing of interleukin-6 with rolling circle amplification
Authors: Zhang Jianming , Lin Jia , Zheng Tingjin , Jiang Yancheng , Luo Shimu , Lin Yao , Zhang Zhishan
Published: December 2020

A novel capacitance immunosensor based on DNAzyme concatemer-amplified signal-generation tags was developed for the sensitive detection of interleukin-6 (IL-6) on an interdigitated micro-comb electrode.
Adjustable diffusion enhancement of water molecules in a nanoscale water bridge
Authors: Lu Yangchao , Chen Jige
Published: December 2020

Adjustable enhanced diffusion coefficients in a water bridge are 4 times larger than those in bulk water.
Towards a point-of-care SERS sensor for biomedical and agri-food analysis applications: a review of recent advancements
Authors: Perumal Jayakumar , Wang Yusong , Attia Amalina Binte Ebrahim , Dinish U. S. , Olivo Malini
Published: December 2020

In this review, the recent advancements of SERS for biomedical, food and agricultural applications in the past 6 years are discussed. We also discuss the opportunities and challenges in the field while highlighting the technological gaps.
Atomically dispersed Rh-doped NiFe layered double hydroxides: precise location of Rh and promoting hydrazine electrooxidation properties
Authors: Liu Guihao , Wang Zelin , Shen Tianyang , Zheng Xusheng , Zhao Yufei , Song Yu-Fei
Published: December 2020

Rh atoms were successfully introduced into NiFe layered double hydroxide and their precise location and coordination environment were identified at the atomic level. The Rh/NiFe requires 1.38 V for hydrazine electrooxidation.
Novel Fe4-based metal–organic cluster-derived iron oxides/S,N dual-doped carbon hybrids for high-performance lithium storage
Authors: Hu Lei , Wang Qiushi , Zhu Xiandong , Meng Tao , Huang Binbin , Yang Jindong , Lin Xiaoming , Tong Yexiang
Published: December 2020

Iron oxide nanoparticles embedded in S,N dual-doped carbon through pyrolysis of novel Fe4-based metal–organic clusters are fabricated and utilized as potential anode materials for lithium ion batteries in both half- and full-cells.
Suppression of metal-to-insulator transition using strong interfacial coupling at cubic and orthorhombic perovskite oxide heterointerfaces
Authors: Sohn Woonbae , Kim Taemin Ludvic , Lee Tae Hyung , Yoon Sangmoon , Kim Chungsoo , Yoo Jung-Woo , Roh Kwang Chul , Kim Miyoung , Jang Ho Won
Published: December 2020

A quasi-two-dimensional electron gas (2DEG) evolved at the LaAlO3 (LAO)/SrTiO3 (STO) interface has attracted significant attention, because the insertion of perovskite titanates can tune the 2DEG conductivity.
Stacking of nanorings to generate nanotubes for acceleration of protein refolding
Authors: Kameta N. , Ding W.
Published: December 2020

Refolding of denatured proteins effectively occurred simultaneously with release from a long and narrow nanotube, which is formed by uniaxial stacking of nanorings.
Photovoltaic modulation of ferromagnetism within a FM metal/P–N junction Si heterostructure
Authors: Zhao Yifan , Zhao Shishun , Wang Lei , Wang Shiping , Du Yujing , Zhao Yanan , Jin Shengye , Min Tai , Tian Bian , Jiang Zhuangde , Zhou Ziyao , Liu Ming
Published: December 2020

A prototype photovoltaic spintronic device with a p–n junction Si wafer is proposed, which generates photo-induced electrons and changes the ferromagnetism of Co or CoFeB by interfacial charge doping.
Theoretical insight into the opposite redox activity of iron complexes toward the ring opening polymerization of lactide and epoxide
Authors: Xu Xiaowei , Lu Han , Luo Gen , Kang Xiaohui , Luo Yi
Published: December 2020

The origin of opposite reactivity in the ring-opening polymerization of lactide (LA) and cyclohexene oxide (CHO) catalyzed by redox-switchable bis(imino)pyridine iron complexes has been computationally elucidated.
Interfacial growth of free-standing PANI films: toward high-performance all-polymer supercapacitors
Authors: Zhong Fuyao , Ma Mingyu , Zhong Zhuoran , Lin Xinrong , Chen Mao
Published: December 2020

A covalently cross-linked polyaniline network is synthesized via interfacial Buchwald-Hartwig polymerization/deprotection, enabling the generation of additive/binder-free and high-performance conducting thin-films for energy storage.
Using high-throughput virtual screening to explore the optoelectronic property space of organic dyes; finding diketopyrrolopyrrole dyes for dye-sensitized water splitting and solar cells
Authors: Heath-Apostolopoulos Isabelle , Vargas-Ortiz Diego , Wilbraham Liam , Jelfs Kim E. , Zwijnenburg Martijn A.
Published: December 2020

A high-throughput virtual screening of 45 000 diketopyrrolopyrrole dyes is performed to map their optoelectronic property space and screen for dyes suitable for dye-sensitized proton reduction and dye-sensitized solar-cells.
Correction: Long-range mechanical signaling in biological systems
Authors: Alisafaei Farid , Chen Xingyu , Leahy Thomas , Janmey Paul A. , Shenoy Vivek B.
Published: December 2020

Correction for ‘Long-range mechanical signaling in biological systems’ by Farid Alisafaei et al., Soft Matter, 2020, DOI: 10.1039/d0sm01442g.
Lack of association betweenmiR-146ars2910164 C/G locus and colorectal cancer: from a case–control study to a meta-analysis
Authors: Jiang Jiakai , Zhang Sheng , Tang Weifeng , Qiu Zhiyuan
Published: December 2020

Previous studies suggested that miR-146a rs2910164 (C/G) locus was predicted to influence the risk of cancer. However, the relationship of miR-146a rs2910164 locus with colorectal cancer (CRC) susceptibility was controversial. We recruited 1003 CRC patients and 1303 controls, and performed a case–control study to clarify the correlation of miR-146a rs2910164 locus with CRC risk. Subsequently, a comprehensive meta-analysis was conducted to verify our findings. In the case–control study, we suggested that miR-146a rs2910164 variants did not alter CRC risk (CG vs. CC: adjusted P=0.465; GG vs. CC: adjusted P=0.436, CG/GG vs. CC: adjusted P=0.387 and GG vs. CC/CG: adjusted P=0.589), even in subgroup analysis. Next, we conducted a pooled-analysis to identify the correlation of miR-146a rs2910164 locus with CRC risk. In this pooled-analysis, 7947 CRC cases and 12,168 controls were included. We found that miR-146a rs2910164 polymorphism did not influence the risk of CRC (G vs. C: P=0.537; GG vs. CC: P=0.517, CG/GG vs. CC: P=0.520 and GG vs. CC/CG: P=0.167). Our findings suggest that miR-146a rs2910164 C/G polymorphism is not correlated with the susceptibility of CRC. In the future, more case–control studies are needed to confirm our results.
Combined bezafibrate, medroxyprogesterone acetate and valproic acid treatment inhibits osteosarcoma cell growth without adversely affecting normal mesenchymal stem cells
Authors: Sheard Jonathan J. , Southam Andrew D. , MacKay Hannah L. , Ellington Max A. , Snow Martyn D. , Khanim Farhat L. , Bunce Christopher M. , Johnson William E.
Published: December 2020

Drug repurposing is a cost-effective means of targeting new therapies for cancer. We have examined the effects of the repurposed drugs, bezafibrate, medroxyprogesterone acetate and valproic acid on human osteosarcoma cells, i.e., SAOS2 and MG63 compared with their normal cell counterparts, i.e. mesenchymal stem/stromal cells (MSCs). Cell growth, viability and migration were measured by biochemical assay and live cell imaging, whilst levels of lipid-synthesising enzymes were measured by immunoblotting cell extracts. These drug treatments inhibited the growth and survival of SAOS2 and MG63 cells most effectively when used in combination (termed V-BAP). In contrast, V-BAP treated MSCs remained viable with only moderately reduced cell proliferation. V-BAP treatment also inhibited migratory cell phenotypes. MG63 and SAOS2 cells expressed much greater levels of fatty acid synthase and stearoyl CoA desaturase 1 than MSCs, but these elevated enzyme levels significantly decreased in the V-BAP treated osteosarcoma cells prior to cell death. Hence, we have identified a repurposed drug combination that selectively inhibits the growth and survival of human osteosarcoma cells in association with altered lipid metabolism without adversely affecting their non-transformed cell counterparts.
Association between salivary s-IgA concentration and dental caries: an updated meta-analysis
Authors: Wu Zeyu , Gong Yi , Wang Chen , Lin Jing , Zhao Jin
Published: December 2020

Objective: To determine the levels of s-IgA in saliva of caries patients and healthy controls, and to evaluate whether there is a correlation between it and caries by meta-analysis. Methods: The PubMed, MEDLINE, EMBASE, Web of Science, Cochrane Library, Scopus, Chinese National Knowledge Infrastructure, Wanfang Data, Chongqing VIP database for Chinese Technical Periodicals, and China BioMedical Literature Services System databases were searched initially in April 2020 and repeated in August 2020. Two independent evaluators screened the literature and extracted the data according to the inclusion and exclusion criteria. R 4.0.2 software was used for meta-analysis. I2 test was commonly reflected the heterogeneity. Subgroup analysis and meta-regression analysis explore the sources of heterogeneity. Sensitivity analysis, funnel diagram, Begg’s rank correlation, and Egger’s linear regression were used to determine the possibility of publication bias. Results: The study was reviewed according to the project guidelines for optimal reporting (PRISMA) based on meta-analysis. A total of 30 case–control studies were included, with a total sample size of 1545 patients, including 918 caries patients and 627 healthy controls. Salivary s-IgA levels in caries patients were significantly lower than those in healthy controls (SMD = −0.49, 95%CI: [−0.94; −0.03], P=0.03). In addition, the results of subgroup analysis showed that the significant decrease of salivary s-IgA level was correlated with children patients, mixed dentition and Asian people (children: SMD = −0.45, 95%CI: [−0.89; −0.01], P=0.04; mixed dentition: SMD = −0.61, 95%CI: [−1.24; 0.03], P=0.06; Asian: SMD = −0.62, 95%CI: [−1.17; −0.08], P=0.02). The funnel diagram included in the study was symmetrically distributed, and the sensitivity analysis confirmed the robustness of the results. Conclusion: Salivary s-IgA levels in caries patients were significantly lower than in healthy controls. It has also been demonstrated that salivary s-IgA may be used as an alternative measure to identify subjects at risk of caries susceptibility, suggesting that salivary s-IgA may be a protective factor for dental caries.