bluuebunny/crossref_metadata_2025 huggingface dataset:
Interrogation of chemical changes on, and through, the bacterial envelope of Escherichia coli FabF mutant using time‐of‐flight secondary ion mass spectrometry
Authors: Dimovska Nilsson Kelly , Grandén Johan , Farewell Anne , Fletcher John S.
Published: November 2020

Time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS) using a primary ion beam of (CO2)6k+ was used to analyse chemical changes in the bacterial envelope of a fabF knock‐out Escherichia coli strain. fabF is the gene coding for FabF, the enzyme involved in the elongation of FA(16:1) to FA(18:1) and has been associated with plasmid transfer that can lead to acquired multiantibiotic resistance. Comparison of the membrane composition between fabF mutant E. coli and wild type E. coli during the logarithmic and stationary growth phases at two culture temperatures (37°C and 30°C) revealed substantial depletion of FA(18:1) in the fabF mutant during logarithmic growth that resulted in a correlated reduction in FA(cp19:0) during stationary phase. While no clear temperature dependence on the effect of the fabF mutation was found, a reduction in cyclopropanation was observed at lower culture temperature in the wild type strain. Additionally, depth profile analysis revealed a ‘thickening’ of the lipid A layer on the surface of the bacteria during stationary phase and also the appearance of cyclic enterobacterial common antigen (ECACYC) below the surface of the bacteria upon the shift from logarithmic to stationary growth phase.
Supramolecular Structure of Temperature‐Dependent Polymeric Hydrogels Modulated by Drug Incorporation
Authors: Franco Margareth K. K. D. , Sepulveda Anderson F. , Vigato Aryane A. , Oshiro Alisson , Machado Ian Pompermayer , Kent Ben , Clemens Daniel , Yokaichiya Fabiano , de Araujo Daniele Ribeiro
Published: November 2020

Poloxamers or Pluronics® (PL) have been described as promising pharmaceutical and cosmetics matrices. Herein, we have explored the structural organization of hydrogel formulations composed of PL F‐127 and PL L‐81, considering their different hydrophilic‐lipophilic balances and interactions with an antimigraine drug, sumatriptan succinate (SMT). Hydrogels phase organizations were investigated by X‐ray diffraction (XRD) and Small Angle Neutron Scattering (SANS) to establish the relationship between structural features and drug release modulation. XRD analysis revealed very low intensity peaks for hydrogels containing SMT due to the presence of small amounts of SMT as crystalline form, which is an evidence of drug incorporation into hydrogels. At physiological temperature, a structural transition from lamellar to hexagonal was observed after SMT incorporation. In addition, SANS patterns displayed a distorted hexagonal structure, (calculated
>experimental
), indicating the presence of a comprised structure compared to a perfect hexagonal assembly. This structural shift however have no influence on the drug release mechanism, allowing the SMT molecules to access the micellar and intermicellar hydrophilic spaces, with release mechanism dependent on the drug diffusion (R2=0.998 ≥ 0.986) from the hydrogel to the medium and release constant (Krel) values from 9.8 to 14.7 %.h−1; 31.5 to 39.1 %.h−1/2; 0.84 to 1.2 %.h−n for Zero‐order, Higuchi and Korsmeyer‐Peppas models, respectively. Using SMT as a drug model, it could be concluded that the drug access to the micellar/intermicellar hydrophilic spaces can be modulated by interplaying the polarity of binary PL‐based hydrogels. Therefore, drug release constants and mechanisms will be then dependent on the hydrogels physico‐chemical and structural properties, which determine the drug diffusion from the hydrogel to the release medium.
Selective Dehydrofluorination of 1,1,1,3,3‐Pentafluoropropane to Synthesize Tetrafluoropropylene and Trifluoropropyne over the ZnO/Cr2O3 Catalysts
Authors: Jia Wenzhi , Fang Xiuxiu , Fang Chentao , Hu Caihong , Song Jiandong , Luo Mengfei
Published: November 2020

A series of ZnO/Cr2O3 catalysts were prepared by an impregnation method, and the promoted role of ZnO on the activity for selective dehydrofluorination of 1,1,1,3,3‐pentafluoropropane (CF3CH2CHF2) to tetrafluoropropylene (CFH=CHCF3 and CH2=CFCF3) and 3,3,3‐trifluoropropyne (CH≡CCF3) was investigated. The ZnO/Cr2O3 catalysts were characterized by XRD, Raman, BET, NH3‐TPD and XPS. As more Zn was loaded, both the crystallite size of the Cr2O3 and the surface area of catalysts both increased. The surface acidity of catalysts was the highest (1.02 μmol g−1) when 2 mol % of ZnO was added. Surface Cr species on the surface of ZnO/Cr2O3 catalysts were identified, including Cr2O3, Cr(OH)3 and CrO3. As the ZnO content increased, the relative content of Cr2O3 elevated, while the relative contents of Cr(OH)3 and CrO3 decreased. It was found that the selectivities to four products (E−CFH=CHCF3, Z‐CFH=CHCF3, CH2=CFCF3 and CH≡CCF3) were greatly affected by the ZnO loading and reaction temperature. For the 2ZnO/Cr2O3 catalyst, the lowest selectivities to E‐ and Z‐CFH=CHCF3 were 61.2 and 15.7 %, respectively, while CH2=CFCF3 and CH≡CCF3 achieved the highest selectivity (11.7 % and 9.8 %, respectively) at 450 °C due to the highest surface acidity.
Polarization‐Enhanced Hydrogen Bonding in 1,8‐Dihydroxynaphthalene: Conformational Analysis, Binding Studies and Hydrogen Bonding Catalysis
Authors: Mammadova Flora , Hamarat Büşra , Ahmadli Dilgam , Şahin Onur , Bozkaya Uğur , Türkmen Yunus E.
Published: November 2020

In this article, the presence and effects of polarization‐enhanced hydrogen bonding in 1,8‐dihydroxynaphthalene (1,8‐DHN) were investigated in detail through a series of experimental and computational studies. First, the conformation of 1,8‐DHN, and its ability to make intra‐ and intermolecular hydrogen bonds were investigated in solid state by X‐ray crystallography, in solution by NMR spectroscopy, and computationally by density functional theory. Second, equilibrium binding constants, which were determined by31P‐NMR titration studies, demonstrated stronger complexation of Ph3PO with 1,8‐DHN compared to mono‐naphthol derivatives 8‐methoxy‐1‐naphthol and 1‐naphthol. In the final section, 1,8‐DHN was observed to be an effective catalyst for the Friedel‐Crafts‐type addition reaction of indoles toβ‐nitrostyrenes, and a rationale for this catalytic activity was provided via computational studies. All the findings described in this work support the enhanced hydrogen bond donating ability of 1,8‐DHN due to polarization caused by the six‐membered intramolecular hydrogen bond present in its structure.
P‐doped Carbon as the Efficient Support of Nickel Catalysts for Hydrodechlorination of Chlorodifluoromethane
Authors: Zheng Qifu , Wei Xiaoli , Li Xiliang , Liu Bing , Chen Aimin , Tang Haodong , Han Wenfeng
Published: November 2020

P‐doped carbon material (P−C) is successfully fabricated through directly combust phytic acid via microwave assistant. Then the as‐made P−C is selected as the support to load various amount of Ni. As the evaluated results show that 5 %Ni/P−C exhibits better catalytic performance than 5 %Ni/C for chlorodifluoromethane hydrodechlorination (HDC) reaction. It is because that the doped‐P is feasible to promote the dispersion of Ni species on the surface of P−C through the strong interaction between Ni and the P−C support. Therefore, combining the synergetic effect between Ni and heteroatom‐doped carbon could provide a promising way to improve the activity of HDC reaction.
Greener and Environmentally Benign Methodology for the Synthesis of Pyrazole Derivatives
Authors: Sapkal Aboli , Kamble Santosh
Published: November 2020

Pyrazole and its derivatives are one of the interesting heterocyclic compounds among the other because it has tremendous important bio‐medical applications such as anticancer, antimalarial, antimicrobial, antifungal, antitubercular and antihelishmanial. Synthesis of pyrazoles by synthetic route requires harsh reaction conditions such as organic solvent, high temperature, require large time that consume more energy which increase final cost of the synthesis of pyrazoles. Therefore researchers be aware about synthesis and give more attention towards to develop a greener as well as economically favorable method for synthesis of pyrazoles such as microwave irradiation, ultra‐sonication assisted, reaction at room temperature, solvent and catalyst free and use of universal solvent that is aqueous medium these techniques are environmentally friendly as well as cost effective. Therefore, these review highlights the greener methodologies for the synthesis of pyrazoles, which are good alternative for synthetic methods that sustains green principles.
Colorimetric Receptors for the Detection of Biologically Important Anions and Their Application in Designing Molecular Logic Gate
Authors: Bhat Mahesh P. , Vinayak Shraddha , Yu Jingxian , Jung Ho‐Young , Kurkuri Mahaveer
Published: November 2020

Three new colorimetric receptors were synthesised for the detection of biologically important anions such as fluoride and acetate in the aqueous medium. All receptors showed significant colour change for F− and AcO− ions. The synthesised receptors were characterized by spectroscopic methods such as NMR techniques for structural confirmation. The UV‐vis and 1H NMR titrations were performed to understand the binding mechanism of the receptors with F− and AcO− ions. Further, Job's plot was used to explore the stoichiometry between receptor and analyte. Besides, the visual and spectroscopic changes of receptor R1 upon the addition of F− ion was utilised to study the reversible behaviour by adding Cr3+ ions. This concept was explored to mimic the logic gates at the molecular level with “set‐reset” Boolean operations as a proof of concept.
Selective Reduction Sites on Commercial Graphite Foil for Building Multimetallic Nano‐Assemblies for Energy Conversion
Authors: Pandey Rakesh K. , Teraji Satoshi , Soh Siowling , Nakanishi Hideyuki
Published: November 2020

Selective reduction sites are important for systematically building alloy nanostructure assemblies on various substrates. Utilizing a galvanic exchange protocol, in the present study, multimetallic alloy‐type nanostructures were developed on selective reduction sites, which were found to exist on the edges of a commercial graphite foil. Notably, the evaluated method is environmentally friendly and involves sustainable techniques. It was determined that a ternary alloy nanostructure on graphite, consisting of Au, Pd, and Ni, exhibits superior catalytic activity toward ethanol electro‐oxidation reaction in an alkaline medium in comparison to the corresponding unimetallic or bimetallic alloy nanostructures. Correspondingly, a bimetallic Fe and Ni‐based alloy material on graphite was shown to display improved oxygen evolution reaction response.
Tuning the Electrochromic Properties of Fluorinated Benzochalcogenodiazole Based Donor‐Acceptor Polymers
Authors: Colak Betül , Altinisik Sinem , Koyuncu Fatma Baycan , Canımkurbey Betül , Koyuncu Sermet
Published: November 2020

In this study, a series of benzochalcogenodiazole based donor acceptor monomers namely 4,7‐bis(4‐hexyl‐2‐thienyl)‐2,1,3‐benzothiadiazole (TST), 5,6‐difluoro‐4,7‐bis(4‐hexyl‐2‐thienyl)‐2,1,3‐benzothiadiazole (TST2) and 4,7‐bis(4‐hexyl‐2‐thienyl)‐2,1,3‐benzoselenadiazole (TSeT) were synthesized by Stille reaction and then directly polymerized on to Indium Tin Oxide coated glass (ITO/Glass) surface by electrochemical polymerization process. According to UV‐Vis measurements, a 20 nm blue shift was detected at low energy band after fluorination of TST (TST2). Besides, a 40 nm red shift was observed by changing S to Se on the benzochalcogenodiazole moiety (TSeT). Thus, the optical band gaps were varied as 2.32, 2.45 and 2.16 eV for TST, TST2 and TSeT, respectively. According to AFM results, rougher surface was observed in the PTSeT thin film than that of PTST and PTST2. Thin films of electrodeposited polymers onto ITO/glass surface displayed ambipolar multi‐electrochromic behavior both anodic and cathodic region. The ambipolar charge distribution was also observed in the theoretical DFT calculations. When the electrochromic performance of the polymer films was compared to each other, it was seen that the PTST2 has a better stability and higher the percentage transmittance change (ΔT%) at near‐IR regime between neutral and oxidized states.
Effect of Substituent of Roof Shape Amines on the Molecular Recognition of Optically Active Acids by NMR Spectroscopy
Authors: Gupta Riddhi , Gonnade Rajesh G. , Bedekar Ashutosh V.
Published: November 2020

Optically active roof shape derivatives of benzyl amines were synthesized and screened as chiral solvating agents for the study of molecular recognition of chiral compounds by NMR and UV spectroscopy. The effect of substituents on the aromatic ring of benzyl unit is investigated to assess the binding ability with the analyte and an experimental correlation is observed. Altering the substituents on the ring of benzyl amine and the acidic substrates, significantly influence the CSA interactions. The supramolecular interactions between acid and amine in the single crystal X‐ray analysis of the diastereomeric salts provide further insight of the mode of molecular recognition.
Design, Synthesis and Fungicidal Activity of Novel 2‐aryl‐thiazole Derivatives Containing Saccharin Motif
Authors: Huang Danling , Liao Min , Zhang Tianyuan , You Shuyan , Zhou Yun‐Feng , Cheng Yong‐Xian
Published: November 2020

A series of novel 2‐aryl‐thiazole derivatives containing saccharin were designed and synthesized by a facile method, and their structures were characterized by 1H NMR, 13C NMR and HMRS. Biological tests indicated that the parts of 2‐aryl‐thiazole derivatives possess potent fungicidal activities against Sclerotinia sclerotiorum, Botrytis cinerea, and Alternaria altanata. Especially, N‐((2‐(4‐chlorophenyl)thiazol‐4‐yl)methyl)‐4‐(1,1‐dioxido‐3‐oxobenzo[d]isothia‐zol‐2(3H)‐yl)butanamide (7 p) displays inhibition rates of 49.2 % and 41.9 % at a concentration of 10 mg/L against S. sclerotiorum and B. cinerea respectively, while 2‐(1,1‐dioxido‐3‐oxobenzo[d]isothiazol‐2(3H)‐yl)‐N‐((2‐(4‐methoxyphenyl)thiazol‐4‐yl)methyl)acetamide (7 f) shows an inhibition rate of 53.3 % at a concentration of 10 mg/L against A. altanata. Furthermore, the structure‐activity relationship was discussed. It suggested that the 2‐aryl‐thiazole group can be considered as a precursor structure for further design of fungicides.
Molecularly Imprinted Sol‐Gel Sensing Film‐Based Optical Sensor for Determination of Sulfasalazine Antibiotic
Authors: Motaharian Ali , Hajebrahimi Mohaddeseh , Hosseini Mohammad Reza Milani , Khosrokhavar Roya
Published: November 2020

In this study, a simplistic optical sensing approach for determination of sulfasalazine (SSZ) antibiotic has been developed by combining molecular imprinting and sol‐gel techniques (MIP‐SG). The sol‐gel solution containing sulfasalazine (target molecule) was deposited as a thin film on the pretreated microscope glass slides to fabricate imprinted optical sensors. The binding properties of the sensor toward sulfasalazine were evaluated by UV‐Vis spectroscopy method. The influence of some experimental parameters affecting on the manufacturing process as well as the response of MIP‐SG sensing film were studied. Under optimal conditions, the UV‐Vis signals of proposed sensor showed a linear relationship with the SSZ concentration in the range from 0.5 to 80.0 μg mL−1 (R2=0.994) and detection limit of 0.26 μg mL−1 with benefits of good reproducibility (RSD=4.12 %) and storage stability. This sensor was successfully used for determination of SSZ in well water, pharmaceutical formulation and human urine samples.
Fabrication of a Nano‐Interfaced Electrochemical Triglyceride Biosensor and its Potential Application towards Distinguishing Cancer and Normal Cells
Authors: Madhurantakam Sasya , Jayanth Babu K , Balaguru Rayappan John Bosco , Maheswari Krishnan Uma
Published: November 2020

Hypertriglyceridemia, a condition characterized by elevated levels of triglycerides is considered a major risk factor of metabolic syndrome. The present work aims to develop a hybrid nano‐interfaced enzymatic sensor that employs three enzymes to hydrolyze the triglycerides, phosphorylate glycerol and finally oxidize it to generate the electrochemical signal. Triolein, a common long chained triglyceride found in biological systems was employed as the substrate. The sensor displayed an excellent response time of 3 s and a linear range of 0.5 to 5.5 mM. The sensor was stable under both wet and dry conditions for 25 days. The capability of the sensor to detect triglycerides in biological samples was assessed by employing it to estimate total triglyceride levels in normal and cancer cells. Cancer cells displayed triglyceride levels distinctly higher than normal cells suggesting that this sensor can be employed for screening normal and cancer tissues apart from routine serum analysis to screen individuals with triglyceridemia and metabolic syndrome.
Engineering serendipity: When does knowledge sharing lead to knowledge production?
Authors: Lane Jacqueline N. , Ganguli Ina , Gaule Patrick , Guinan Eva , Lakhani Karim R.
Published: November 2020

Research Summary

We investigate how knowledge similarity between two individuals is systematically related to the likelihood that a serendipitous encounter results in knowledge production. We conduct a field experiment at a medical research symposium, where we exogenously varied opportunities for face‐to‐face encounters among 15,817 scientist‐pairs. Our data include direct observations of interaction patterns collected using sociometric badges, and detailed, longitudinal data of the scientists' postsymposium publication records over 6 years. We find that interacting scientists acquire more knowledge and coauthor 1.2 more papers when they share some overlapping interests, but cite each other's work between three and seven times less when they are from the same field. Our findings reveal both collaborative and competitive effects of knowledge similarity on knowledge production outcomes.

Managerial Summary

Managers often try to stimulate innovation by encouraging serendipitous interactions between employees, for example by using office space redesigns, conferences and similar events. Are such interventions effective? This article proposes that an effective encounter depends on the degree of common knowledge shared by the individuals. We find that scientists who attend the same conference are more likely to learn from each other and collaborate effectively when they have some common interests, but may view each other competitively when they work in the same field. Hence, when designing opportunities for face‐to‐face interactions, managers should consider knowledge similarity as a criteria for fostering more productive exchanges.
Emergent Topological Hall Effect at a Charge‐Transfer Interface
Authors: Lim Zhi Shiuh , Li Changjian , Huang Zhen , Chi Xiao , Zhou Jun , Zeng Shengwei , Omar Ganesh Ji , Feng Yuan Ping , Rusydi Andrivo , Pennycook Stephen John , Venkatesan Thirumalai , Ariando Ariando
Published: November 2020

Exploring exotic interface magnetism due to charge transfer and strong spin‐orbit coupling has profound application in the future development of spintronic memory. Here, the emergence and tuning of topological Hall effect (THE) from a CaMnO3/CaIrO3/CaMnO3 trilayer structure are studied in detail, which suggests the presence of magnetic Skyrmion‐like bubbles. First, by tilting the magnetic field direction, the evolution of the Hall signal suggests a transformation of Skyrmions into topologically‐trivial stripe domains, consistent with behaviors predicted by micromagnetic simulations. Second, by varying the thickness of CaMnO3, the optimal thicknesses for the THE signal emergence are found, which allow identification of the source of Dzyaloshinskii–Moriya interaction (DMI) and its competition with antiferromagnetic superexchange. Employing high‐resolution transmission electron microscopy, randomly distributed stacking faults are identified only at the bottom interface and may avoid mutual cancellation of DMI. Last, a spin‐transfer torque experiment also reveals a low threshold current density of ≈109 A m−2 for initiating the bubbles’ motion. This discovery sheds light on a possible strategy for integrating Skyrmions with antiferromagnetic spintronics.
Comparative study on different neural networks for network security situation prediction
Authors: Wang Gang
Published: November 2020

This article mainly studied the performance of different neural networks in the processing network security situation prediction (NSSP). Radial basis function (RBF) and back propagation neural network (BPNN) models were optimized by particle swarm optimization (PSO) algorithm and seeker optimization algorithm (SOA), respectively. Then the PSO‐RBF model and SOA‐BPNN model were obtained, and comparative experiments were carried out on CNCERT/CC data set. The results suggested that the improved models were more accurate in predicting the situation value compared with RBF and BPNN models; the PSO‐RBF mode had three prediction errors, with 0.05 mean square error (MSE) and 0.05 mean absolute error (MAE), and the SOA‐BPNN model had six prediction errors, with 0.2 MSE and 0.13 MAE, which showed that the PSO‐RBF model had better performance. The experimental results show that the PSO‐RBF model has an excellent performance in processing NSSP and can be promoted and applied in practice.
Heat Transfer Correlations for Secondary Cooling in Continuous Casting
Authors: Kotrbacek Petr , Bellerova Hana , Luks Tomas , Raudensky Miroslav
Published: November 2020

The general term “spray cooling” is for the research presented here limited to the spray cooling of hot surfaces with film boiling, starting at temperatures of about 1200 °C and finishing at the Leidenfrost point where cooling intensity changes rapidly. This is typical area of secondary cooling in continuous casting. Herein, a correlation for Heat Transfer Coefficient (HTC). The most frequently used parameter of water impingement density is in the presented correlation used together with impact pressure to get good results. This study uses both water and mist nozzles. It is shown and experimentally verified why equations based only on the water impingement density cannot provide sufficiently precise predictions of HTC.
Structure, Preparation, and Applications of 2D Material‐Based Metal–Semiconductor Heterostructures
Authors: Tan Junyang , Li Shisheng , Liu Bilu , Cheng Hui-Ming
Published: November 2020

Two‐dimensional (2D) materials’ family with its many members and different properties has recently drawn great attention. Thanks to their atomic thickness and smooth surface, 2D materials can be constructed into heterostructures or homostructures in the fashion of out‐of‐plane perpendicular stacking or in‐plane lateral stitching, resulting in unexpected physical and chemical properties and applications in many areas. In particular, 2D metal–semiconductor heterostructures or homostructures (MSHSs) which integrate 2D metals and 2D semiconductors, have shown great promise in future integrated electronics and energy‐related applications. Herein, MSHSs with different structures and dimensionalities are first introduced, followed by several ways for their preparation. Their applications in electronics and optoelectronics, energy storage and conversion, and their use as platforms to exploit new physics are then discussed. Finally, the perspectives about the challenges and future research directions in this emerging field are given.
Electronic Doping of Metal‐Organic Frameworks for High‐Performance Flexible Micro‐Supercapacitors
Authors: He Yafei , Yang Sheng , Fu Yubin , Wang Faxing , Ma Ji , Wang Gang , Chen Guangbo , Wang Mingchao , Dong Renhao , Zhang Panpan , Feng Xinliang
Published: November 2020

The combination of high specific surface areas, well‐defined porous structures, and redox‐active sites renders the organic frameworks as promising electrode materials for next‐generation energy storage devices. Despite the recent advancements in the fabrication of conductive metal‐organic frameworks (MOFs), they generally require tedious synthesis procedures, which hinder their energy‐related applications. Herein, a doping strategy using electron acceptor molecules is demonstrated to tune the ohmic electrical conductivity of MOF thin‐film electrodes. For instance, the conductivity of MOF Cu3(BTC)2 film is enhanced over 40 times after doping with 7,7,8,8‐tetracyanoquinododimethane (TCNQ). Thereby, asymmetric in‐plane micro‐supercapacitors (MSCs) are constructed utilizing in situ‐grown TCNQ@Cu3(BTC)2 as the cathode and activated carbon as the anode, which delivers remarkable areal capacitance of 95.1 mF cm−2 at a scan rate of 5 mV s−1, superior to those of the reported MSCs (0.1–50 mF cm−2). Moreover, the fabricated devices show long‐term stability with 94.1% capacitance retention up to 5000 charge‐discharge cycles at 10 mA cm−2. The molecular doping engineering of organic framework materials with excellent electronic properties for energy storage and conversion applications is inspired.
Nanomaterial‐mediated platinum drug‐based combinatorial cancer therapy
Authors: Deng Zhiqin , Wang Na , Ai Fujin , Wang Zhigang , Zhu Guangyu
Published: November 2020

Platinum (Pt)‐based drugs represent some of the most successful anticancer agents in the clinic, and they have greatly accelerated the development of cancer chemotherapy. The therapeutic efficacy of platinum drugs, however, is limited by their various side effects and the development of drug resistance by cancer cells. To address these limitations, platinum drugs are combined with other therapeutic agents as a first‐line therapy for several types of cancer, and these treatments have achieved inspiring therapeutic outcomes. In some cases, however, such combinatorial treatments are inefficacious, due to the severe side effects, the short circulation half‐lives, and the different pharmacokinetic properties of the combined drugs. The rapid development of nanotechnology brings opportunities to surmount these limitations. Coloading platinum drugs and other anticancer agents into nanoparticles not only increases their synergistic efficacy but also improves their pharmacokinetic properties, tumor‐targeting efficiency, and other attributes that are favorable for cancer treatment. In this review, we summarize the recent developments in the application of nanotechnology for combinatorial therapy involving platinum drugs, with a focus on the design, anticancer efficacy, and other advantages of nanoparticles combining platinum drugs and other bioactive moieties. We also discuss the current challenges of these approaches and the prospects for their further development. Our summary and outlook will assist researchers to generate new ideas for the development of highly potent anticancer nanomedicine containing Pt‐based drugs.
The Role of Expertise in the EU’s Emerging Diplomatic System
Authors: Blom Tannelie , Vanhoonacker Sophie
Published: November 2020

The focus of this chapter is on the organisation and role of expertise in the Common Foreign and Security Policy (CFSP). It more particularly examines how the High Representative/Vice President (HR/VP) and the European External Action Service (EEAS) have organised the gathering and processing of European foreign policy expertise and whether this has led to contestation. Based on a case study on the Asia-Pacific department, it first identifies the rules of the game underlying the organisation of expertise in the EEAS and successively explores the day-to-day practice of these rules. The chapter does not limit itself to subject matter expertise but also includes political expertise, procedural expertise, policy expertise and expertise on experts. Building on social psychology, it focuses on expert groups rather than on individual experts as the basic unit of analysis. The exploratory case study on the Asia-Pacific department learns that the EEAS is in general able to perform as an expertise driven organization, notwithstanding its limited operational budget, successive reductions in staff numbers, and its staff rotating policy. There is a clear division of roles whereby EEAS staff concentrates on expert, political and process expertise, while subject matter and policy expertise are sourced externally. Thanks to flexible internal rules, EEAS staff members are able to identify and work with the required sources rather easily. The way in which the EEAS has organized the gathering and processing of European foreign policy expertise has not led to contestation, either from the member states, the Commission, or the broader public. There are occasional frictions between the EEAS and the member states, as well as between the EEAS and the Commission. However, such tensions are not so much about the use of expertise but rather concern the delineation of competences, political reliability, and different degrees of openness.
Regularity and convergence analysis in Sobolev and Hölder spaces for generalized Whittle–Matérn fields
Authors: Cox Sonja G. , Kirchner Kristin
Published: November 2020

We analyze several types of Galerkin approximations of a Gaussian random field$$\mathscr {Z}:\mathscr {D}\times \varOmega \rightarrow \mathbb {R}$$Z:D×Ω→Rindexed by a Euclidean domain$$\mathscr {D}\subset \mathbb {R}^d$$D⊂Rdwhose covariance structure is determined by a negative fractional power$$L^{-2\beta }$$L-2βof a second-order elliptic differential operator$$L:= -\nabla \cdot (A\nabla ) + \kappa ^2$$L:=-∇·(A∇)+κ2. Under minimal assumptions on the domain $$\mathscr {D}$$D, the coefficients$$A:\mathscr {D}\rightarrow \mathbb {R}^{d\times d}$$A:D→Rd×d,$$\kappa :\mathscr {D}\rightarrow \mathbb {R}$$κ:D→R, and the fractional exponent$$\beta >0$$β>0, we prove convergence in$$L_q(\varOmega ; H^\sigma (\mathscr {D}))$$Lq(Ω;Hσ(D))and in$$L_q(\varOmega ; C^\delta (\overline{\mathscr {D}}))$$Lq(Ω;Cδ(D¯))at (essentially) optimal rates for (1) spectral Galerkin methods and (2) finite element approximations. Specifically, our analysis is solely based on$$H^{1+\alpha }(\mathscr {D})$$H1+α(D)-regularity of the differential operatorL, where$$0<\alpha \le 1$$0<α≤1. For this setting, we furthermore provide rigorous estimates for the error in the covariance function of these approximations in$$L_{\infty }(\mathscr {D}\times \mathscr {D})$$L∞(D×D)and in the mixed Sobolev space$$H^{\sigma ,\sigma }(\mathscr {D}\times \mathscr {D})$$Hσ,σ(D×D), showing convergence which is more than twice as fast compared to the corresponding$$L_q(\varOmega ; H^\sigma (\mathscr {D}))$$Lq(Ω;Hσ(D))-rate. We perform several numerical experiments which validate our theoretical results for (a) the original Whittle–Matérn class, where$$A\equiv \mathrm {Id}_{\mathbb {R}^d}$$A≡IdRdand$$\kappa \equiv {\text {const.}}$$κ≡const., and (b) an example of anisotropic, non-stationary Gaussian random fields in$$d=2$$d=2dimensions, where$$A:\mathscr {D}\rightarrow \mathbb {R}^{2\times 2}$$A:D→R2×2and$$\kappa :\mathscr {D}\rightarrow \mathbb {R}$$κ:D→Rare spatially varying.
A global review of green turtle diet: sea surface temperature as a potential driver of omnivory levels
Authors: Esteban Nicole , Mortimer Jeanne A. , Stokes Holly J. , Laloë Jacques-Olivier , Unsworth Richard K. F. , Hays Graeme C.
Published: November 2020

To better understand dietary requirements, trophic shifts, and trophic interactions of the threatened green turtle (Chelonia mydas), we conducted a comprehensive global review and literature tabulation (177 studies) reporting diets of individuals > 25 cm carapace length. We analysed those studies involving natural sites and healthy animals that reported relative proportions of all diet components (67 studies, 89 datasets at 75 sites, 13 geographic sub-regions, 3 oceans). We compared diets by sub-region and foraging site relative to four diet components, i.e., seagrass, macroalgae, terrestrial plants (including mangroves) and animal matter. To assess sea surface temperature (SST) as an environmental driver, values were extracted from satellite data (single year) and site-specific observations (study durations) and examined relative to diet composition. Satellite data indicated that at warmer sites with temperatures > 25 °C (≥ 6 months annually), diet was predominantly herbivorous (mean = 92.97%; SE = 9.85; n = 69 datasets). At higher latitude sites and in cold-water currents with SST < 20 °C (≥ 6 months annually), dietary animal matter featured prominently (mean = 51.47%; SE = 4.84; n = 20 datasets). Site-specific observations indicated that SST had a small but significant effect on contributions of animal matter (r2 = 0.17, P =  < 0.001) and seagrass (r2 = 0.24, P =  < 0.001) but not macroalgae and terrestrial plants. Our study presents the first quantitative evidence at a global scale that temperature may be an important driver of omnivory, providing a new perspective on variations in green turtle diet, especially in light of global warming and climate change.
An open-label, positron emission tomography study of the striatal D2/D3 receptor occupancy and pharmacokinetics of single-dose oral brexpiprazole in healthy participants
Authors: Wong Dean F. , Raoufinia Arash , Bricmont Patricia , Brašić James R. , McQuade Robert D. , Forbes Robert A. , Kikuchi Tetsuro , Kuwabara Hiroto
Published: November 2020

Purpose

The aim of this Phase 1, open-label, positron emission tomography (PET) study was to determine the degree of striatal D2/D3 receptor occupancy induced by the serotonin–dopamine activity modulator, brexpiprazole, at different single dose levels in the range 0.25–6 mg.

Methods

Occupancy was measured at 4 and 23.5 h post-dose using the D2/D3 receptor antagonist [11C]raclopride. The pharmacokinetics, safety and tolerability of brexpiprazole were assessed in parallel.

Results

Fifteen healthy participants were enrolled (mean age 33.9 years; 93.3% male). Mean D2/D3 receptor occupancy in the putamen and caudate nucleus increased with brexpiprazole dose, leveled out at 77–88% with brexpiprazole 5 mg and 6 mg at 4 h post-dose, and remained at a similar level at 23.5 h post-dose (74–83%). Estimates of maximum obtainable receptor occupancy (Omax) were 89.2% for the putamen and 95.4% for the caudate nucleus; plasma concentrations predicted to provide 50% of Omax (EC50) were 8.13 ng/mL and 7.75 ng/mL, respectively. Brexpiprazole area under the concentration–time curve (AUC∞) and maximum plasma concentration (Cmax) increased approximately proportional to dose. No notable subjective or objective adverse effects were observed in this cohort.

Conclusion

By extrapolating the observed single-dose D2/D3 receptor occupancy data in healthy participants, multiple doses of brexpiprazole 2 mg/day and above are expected to result in an efficacious brexpiprazole concentration, consistent with clinically active doses in schizophrenia and major depressive disorder.

Trial registration

ClinicalTrials.gov NCT00805454 December 9, 2008.
Two-dimensional laser-induced incandescence for soot volume fraction measurements: issues in quantification due to laser beam focusing
Authors: Mannazhi Manu , Bengtsson Per-Erik
Published: November 2020

Two-dimensional laser-induced incandescence (LII) measurements usually involve the use of a cylindrical lens to illuminate the planar region of interest. This creates a varying laser fluence and sheet width in the imaged flame region which could lead to large uncertainties in the quantification of the 2D LII signals into soot volume fraction distributions. To investigate these effects, 2D LII measurements using a wide range of laser pulse energies were performed on a premixed flat ethylene–air flame while employing a cylindrical lens to focus the laser sheet. Using shorter focal length of the focusing lens resulted in larger variation of the LII signal profiles across the flame. A heat – and – mass – transfer - based LII model was also used to simulate the measurements and good agreement was found. The ratio between focal length (FL) and image length (IL) was introduced as a useful parameter for estimating the bias in estimated soot volume fractions across the flame. The general recommendation is to maximize this FL/IL ratio in an experiment, which in practice means the use of a long focal length lens. Furthermore, the best choices of laser fluence and detection gate width are discussed based on results from these simulations.
A cross-sectional survey of internet use among university students
Authors: Adorjan Kristina , Langgartner Simon , Maywald Maximilian , Karch Susanne , Pogarell Oliver
Published: November 2020

The last 2 decades have seen an increase in the number of reports of excessive internet use. Therefore, this study aimed to examine internet use among university students to gain more insight into the novel phenomenon of addictive internet use (AIU). Data were collected by the means of an online questionnaire sent to 4391 students. Approximately 10% of the 4391 students could be included in the statistical analysis. Of those 483 students, almost all (99.2%) used the internet, and a quarter (24.8%) showed AIU. The students used the internet mostly for information searches, random browsing, social networking, and online shopping; however, AIU was seen most often in the areas of social networking, random browsing, information searches, gaming, and pornography. One in four of the respondents showed addictive behavior in at least one area of internet use. Students with AIU in the area of random browsing were significantly less far advanced in their studies than those without AIU, and well-being was significantly poorer across AIU groups than in those who did not show AIU. The study confirms the importance of AIU, as reflected in the high prevalence of AIU among the students and the significantly lower level of well-being in those with AIU. Undifferentiated consideration of AIU does not do justice to its various facets, and future research should consider all areas of internet use, with the aim to increase understanding of the underlying mechanisms of AIU and develop more differentiated treatment approaches.
A direct approach to evaluate interaction forces between self-adhesive polymeric films subjected to T-peeling
Authors: Naumenko Konstantin , Bagheri Behnaz
Published: November 2020

In this paper, a direct procedure to identify interaction forces between self-adhesive flexible polymeric films is developed. High-resolution photographs of the deformed shape within and outside the zone of adhesive interaction are taken at different instances of the T-peel test. To describe the deformed centerline, an approximate analytical solution to the equations of the nonlinear beam theory is derived. The obtained function is the exponential sum satisfying both kinematic and static boundary conditions for the T-peel configuration. The interaction forces computed with the developed function satisfy equilibrium conditions. The procedure provides characteristics of the adhesive interaction such as the energy of adhesion, maximum force and critical opening displacement. Furthermore, the developed direct approach is applicable to generate the whole traction–separation curve.
A multi-trajectory analysis of commonly co-occurring mental health issues across childhood and adolescence
Authors: Murray Aja L. , Eisner Manuel , Nagin Daniel , Ribeaud Denis
Published: November 2020

Developmental trajectories of mental health issues can often be usefully summarised in a small number of clinically meaningful subtypes. Given the high levels of heterotypic and homotypic comorbidity in child and adolescent mental health symptoms, we explored whether it was possible to identify clinically meaningful developmental subtypes of multiple commonly co-occurring mental health issues. We evaluated the combined developmental trajectories of the most common and commonly co-occurring child and adolescent mental health issues: attention-deficit/hyperactivity disorder (ADHD), internalising, and externalising symptoms in a normative sample of youth with data (n = 1620) at ages 7, 8, 9, 10, 11, 12, 13 and 15 using group-based multi-trajectory modelling. Multinomial logistic regression was used to evaluate predictors of group membership. Our optimal model included six trajectory groups, labelled ‘unaffected’, ‘normative maturing’, ‘internalising’, ‘multimorbid late onset’, ‘multimorbid remitting’, and ‘multimorbid with remitting externalising’. Examining covariates of group membership suggested that males and bully victims tend to have complex mental health profiles; academic achievement and smoking during pregnancy have general associations with mental health irrespective of symptom developmental trajectories or combination; and maternal post-natal depression is primarily related to symptoms that are already in evidence by the beginning of the school years. Results suggest that developmental trajectories of commonly co-occurring mental health issues can be usefully summarised in terms of a small number of developmental subtypes. These subtypes more often than not involve multiple co-occurring mental health issues. Their association with mental health covariates depends on the combination and developmental timing of symptoms in ways that suggest they can be clinically informative.
Multi-marker approach for the evaluation of environmental impacts of APACS 50WG on aquatic ecosystems
Authors: Somogyvári Dávid , Vehovszky Ágnes , Farkas Anna , Horváth Réka , Győri János
Published: November 2020

Neonicotinoids are the most widely used synthetic insecticides in the world. These insecticides are widely distributed in the ecosystem, indicating that more attention should be paid to the potential risks regarding their use in agriculture. Due their intensive use, non-target species in the environment are also exposed to their putative effects. Within acute exposure trials, the time related effect of sublethal dose of the neonicotinoid preparation APACS 50 WG was investigated on swimming behaviour and the multi-xenobiotic resistance system (MXR) activity, as a first line defence pathway of adult Dikerogammarus villosus. Results showed that treated animals manifested an increased swimming activity. Exposed animals were monitored by the rhodamine B accumulation assay, and APACS 50 WG exerted distinct changes in the MXR activity as well. Our results suggested that application of neonicotinoid at a low concentration (3.9 ng/l) contributed to the activation of locomotor activity and at the same concentration range the transmembrane transport mechanisms was altered too.
Characterization and structural properties of bamboo fibre solid foams
Authors: Malekzadeh H. , Md Zaid N. S. B. , Bele E.
Published: November 2020

In this work, cellulose fibres extracted from bamboo culms were used to fabricate two types of cellular materials: rigid foams and fibrous networks. A relatively simple and low-technology fabrication method is presented, using natural binders and blowing agents to manufacture rigid foams, and fibrillation by partial hydrolysis in H2SO4 to manufacture fibrous networks. The compressive response is related to the internal microstructure and processing parameters. In the case of fibrous networks, the achievable relative density range is determined by the length of initial fibres and extent of external fibrillation. The compressive properties are dictated both by the density of the network and strength of the fibrous bridges, showing a linear stiffness-density relationship due to the length of fibres, and an inverse relationship at increased external fibrillation. The rigid foams showed an orthotropic internal microstructure but nearly isotropic compressive response, due to the influence of the interpenetrating void structure on the deformation and fracture mechanisms. The results show the potential of bamboo-fibre porous materials as low cost, lightweight structural materials.
Polyunsaturated fatty acids in fish tissues more closely resemble algal than terrestrial diet sources
Authors: Ebm Nadine , Guo Fen , Brett Michael T. , Bunn Stuart E. , Kainz Martin J.
Published: November 2020

The River Continuum Concept implies that consumers in headwater streams have greater dietary access to terrestrial basal resources, but recent studies have highlighted the dietary importance of high-quality algae. Algae provide consumers with physiologically important omega-3 (n-3) polyunsaturated fatty acids (PUFA), particularly eicosapentaenoic acid (EPA). However, terrestrial plants and most benthic stream algae lack the long-chain (LC) n-3 PUFA docosahexaenoic acid (DHA, 22:6n-3), which is essential for neural development in fish and other vertebrates. We sampled subalpine streams to investigate how the PUFA composition of neural (brain and eyes), muscle, and liver tissues of freshwater fish is related to their potential diets (macroinvertebrates, epilithon, fresh and conditioned terrestrial leaves). The PUFA composition of consumers was more similar to epilithon than to terrestrial leaves. Storage lipids of eyes most closely resembled dietary PUFA (aquatic invertebrates and algae). However, DHA and arachidonic acid (ARA, 20:4n-6) were not directly available in the diet but abundant in organs. This implies that algal PUFA were selectively retained or were produced internally via enzymatic PUFA conversion by aquatic consumers. This field study demonstrates the nutritional importance of algal PUFA for neural organs in aquatic consumers of headwater regions.
Addressing water quality in water footprinting: current status, methods and limitations
Authors: Mikosch Natalia , Berger Markus , Finkbeiner Matthias
Published: November 2020

Purpose

In contrast to water consumption, water pollution has gained less attention in water footprinting so far. Unlike water scarcity impact assessment, on which a consensus has recently been achieved, there is no agreement on how to address water quality deterioration in water footprinting. This paper provides an overview of existing water footprint methods to calculate impacts associated with water pollution and discusses their strengths and limitations using an illustrative example.

Methods

The methods are described and applied to a case study for the wastewater generated in textile processing. The results for two scenarios with different water quality parameters are evaluated against each other and the water scarcity footprint (WSF). Finally, methodological aspects, strengths and limitations of each method are analysed and discussed and recommendations for the methods application are provided.

Results and discussion

Two general impact assessment approaches exist to address water quality in water footprinting: the Water Degradation Footprint (WDF) calculates the impacts associated with the propagation of released pollutants in the environment and their uptake by the population and ecosystem, while the Water Availability Footprint (WAF) quantifies the impacts related to the water deprivation, when polluted water cannot be used. Overall, seven methods to consider water quality in water footprinting were identified, which rely upon one or a combination of WDF, WAF and WSF. Methodological scopes significantly vary regarding the inventory requirements and provided results (a single-score or several impact categories). The case study demonstrated that the methods provide conflicting results concerning which scenario is less harmful with regard to the water pollution.

Conclusions

This paper provides a review of the water pollution assessment methods in water footprinting and analyses their modelling choices and resulting effects on the WF. With regard to the identified inconsistencies, we reveal the urgent need for a guidance for the methods application to provide robust results and allow a consistent evaluation of the water quality in water footprinting.