bluuebunny/crossref_metadata_2025 huggingface dataset:
All‐In‐One Stainless‐Steel Mesh Oxide Composites Anode for Flexible Li‐Ion Battery
Authors: Zhang Baofeng , Xu Youlong , Wang Jie , Ma Xiaoning , Lin Jun , Wang Chao , Xue Xu
Published: August 2020

For portable and wearable electronics, a flexible full battery can lead to tremendous development. However, certain issues with the anode still exist, such as complexity, low capacity, and poor stability. Herein, a flexible metal oxide (MOx) composite anode is synthesized in situ, which transfers a stainless‐steel mesh (SSM) to the SSM‐MOx‐900@PPy anode, with void‐array MOx nanoframeworks encapsulated within polypyrrole (PPy). The hierarchical structure offers a close connection and highly interpenetrated porous conductive network between PPy and MOx, which sufficiently constrains the volume changes and enhances the electronic conductivity. Besides, the binder‐free connection between the active material and current collector is effective for charge transport and robust structural stability during the electrochemical processes. The prepared SSM‐MOx@PPy anode exhibits low contact resistance, decreased charge transfer resistance, and enhanced Li+ diffusion coefficient, resulting in an ultrahigh capacity of 1000 mAh g−1 at 0.1 C and outstanding cycling stability of 640.9 mAh g−1 with a retention rate of 99% after 100 cycles at 1 C. The high‐power full battery fabricated by the SSM‐MOx‐900@PPy and LiFePO4 can be bent and folded freely without obvious capacity attenuation (99.2% of the initial value after 100 bending cycles). These results may provide valuable guidance for designing advanced anodes.
Annular Structural Colors from Bowl‐Like Shriveled Photonic Microshells of Cholesteric Liquid Crystals
Authors: Shan Yu‐Wei , You Lu‐Qian , Bisoyi Hari Krishna , Yang Yu‐Jie , Ge Ya‐Hao , Che Kai‐Jun , Li Sen‐Sen , Chen Lu‐Jian , Li Quan
Published: August 2020

Structural colors obtained by self‐organized microstructures have found a variety of applications, such as decorations, displays, and encryption microarrays, and have been widely investigated for the excellent stability and anisotropic optical responses upon external stimuli. Here, the fabrication of a variety of bowl‐like shriveled microshells using helical cholesteric liquid crystals (CLCs) by glass‐capillary‐based microfluidic techniques is reported. Interestingly, the internal and selective Bragg interferences of the radially arranged helical CLC structure enable the color‐correlative optical responses, resulting in the generation of annular color rings with variable reflection wavelengths and geometries by tuning the pitch and adjusting the incubation parameters. In addition, the manipulation of shriveled photonic microshells is demonstrated under a magnetic field. Benefiting from the low‐cost fabrication of optical interference microstructures and the controllable generation of structural color, it is expected that this class of shriveled photonic CLC microshells might pioneer a novel route for future photonic applications and beyond.
Double Negative Differential Resistance Device Based on Hafnium Disulfide/Pentacene Hybrid Structure
Authors: Jung Kil‐Su , Heo Keun , Kim Min‐Je , Andreev Maksim , Seo Seunghwan , Kim Jin‐Ok , Lim Ji‐Hye , Kim Kwan‐Ho , Kim Sungho , Kim Ki Seok , Yeom Geun Yong , Cho Jeong Ho , Park Jin‐Hong
Published: August 2020

Recently, combinations of 2D van der Waals (2D vdW) materials and organic materials have attracted attention because they facilitate the formation of various heterojunctions with excellent interface quality owing to the absence of dangling bonds on their surface. In this work, a double negative differential resistance (D‐NDR) characteristic of a hybrid 2D vdW/organic tunneling device consisting of a hafnium disulfide/pentacene heterojunction and a 3D pentacene resistor is reported. This D‐NDR phenomenon is achieved by precisely controlling an NDR peak voltage with the pentacene resistor and then integrating two distinct NDR devices in parallel. Then, the operation of a controllable‐gain amplifier configured with the D‐NDR device and an n‐channel transistor is demonstrated using the Cadence Spectre simulation platform. The proposed D‐NDR device technology based on a hybrid 2D vdW/organic heterostructure provides a scientific foundation for various circuit applications that require the NDR phenomenon.
First amyloid β1‐42 certified reference material for re‐calibrating commercial immunoassays
Authors: Boulo Sébastien , Kuhlmann Julia , Andreasson Ulf , Brix Britta , Venkataraman Iswariya , Herbst Victor , Rutz Sandra , Manuilova Ekaterina , Vandijck Manu , Dekeyser Filip , Bjerke Maria , Pannee Josef , Charoud‐Got Jean , Auclair Guy , Mazoua Stéphane , Pinski Gregor , Trapmann Stefanie , Schimmel Heinz , Emons Hendrik , Quaglia Milena , Portelius Erik , Korecka Magdalena , Shaw Leslie M. , Lame Mary , Chambers Erin , Vanderstichele Hugo , Stoops Erik , Leinenbach Andreas , Bittner Tobias , Jenkins Rand G. , Kostanjevecki Vesna , Lewczuk Piotr , Gobom Johan , Zetterberg Henrik , Zegers Ingrid , Blennow Kaj
Published: August 2020

Introduction

Reference materials based on human cerebrospinal fluid were certified for the mass concentration of amyloid beta (Aβ)1‐42 (Aβ42). They are intended to be used to calibrate diagnostic assays for Aβ42.

Methods

The three certified reference materials (CRMs), ERM‐DA480/IFCC, ERM‐DA481/IFCC and ERM‐DA482/IFCC, were prepared at three concentration levels and characterized using isotope dilution mass spectrometry methods. Roche, EUROIMMUN, and Fujirebio used the three CRMs to re‐calibrate their immunoassays.

Results

The certified Aβ42 mass concentrations in ERM‐DA480/IFCC, ERM‐DA481/IFCC, and ERM‐DA482/IFCC are 0.45, 0.72, and 1.22 μg/L, respectively, with expanded uncertainties (k = 2) of 0.07, 0.11, and 0.18 μg/L, respectively. Before re‐calibration, a good correlation (Pearson's r > 0.97), yet large biases, were observed between results from different commercial assays. After re‐calibration the between‐assay bias was reduced to < 5%.

Discussion

The Aβ42 CRMs can ensure the equivalence of results between methods and across platforms for the measurement of Aβ42.
Non‐Motor Symptoms in Parkinson's Disease are Reduced by Nabilone
Authors: Peball Marina , Krismer Florian , Knaus Hans‐Günther , Djamshidian Atbin , Werkmann Mario , Carbone Federico , Ellmerer Philipp , Heim Beatrice , Marini Kathrin , Valent Dora , Goebel Georg , Ulmer Hanno , Stockner Heike , Wenning Gregor K. , Stolz Raphaela , Krejcy Kurt , Poewe Werner , Seppi Klaus ,   Collaborators of the Parkinson's Disease Working Group Innsbruck
Published: August 2020

Objective

The objective of this study was to assess the efficacy and safety of nabilone, a synthetic tetrahydrocannabinol analogue, as a treatment for non‐motor symptoms (NMS) in Parkinson's disease (PD).

Methods

This was a phase II placebo‐controlled, double‐blind, parallel‐group, enriched enrollment randomized withdrawal trial conducted at the Medical University Innsbruck. A random sample of 47 patients with PD with stable motor disease and disturbing NMS defined by a score of ≥4 points on the Movement Disorder Society ‐ Unified PD Rating Scale‐I (MDS‐UPDRS‐I) underwent open‐label nabilone titration (0.25 mg once daily to 1 mg twice daily, phase I). Responders were randomized 1:1 to continue with nabilone or switch to placebo for 4 weeks (phase II). The primary efficacy criterion was the change of the MDS‐UPDRS‐I between randomization and week 4. Safety was analyzed in all patients who received at least one nabilone dose.

Results

Between October 2017 and July 2019, 19 patients received either nabilone (median dose = 0.75 mg) or placebo. At week 4, mean change of the MDS‐UPDRS‐I was 2.63 (95% confidence interval [CI] 1.53 to 3.74, p = 0.002, effect size = 1.15) in the placebo versus 1.00 (95% CI −0.16 to 2.16, p = 0.280, effect size = 0.42) in the nabilone‐group (difference: 1.63, 95% CI 0.09 to 3.18, p = 0.030, effect size = 0.66). Seventy‐seven percent of patients had adverse events (AEs) during open‐label titration, most of them were transient. In the double‐blind phase, similar proportions of patients in each group had AEs (42% in the placebo group and 32% in the nabilone group). There were no serious AEs.

Interpretation

Our results highlight the potential efficacy of nabilone for patients with PD with disturbing NMS, which appears to be driven by positive effects on anxious mood and night‐time sleep problems.

Trial registry: ClinicalTrials.gov (NCT03769896) and EudraCT (2017‐000192‐86). ANN NEUROL 2020;88:712–722
Photochemically Induced Ring Opening of Spirocyclopropyl Oxindoles: Evidence for a Triplet 1,3‐Diradical Intermediate and Deracemization by a Chiral Sensitizer
Authors: Li Xinyao , Kutta Roger J. , Jandl Christian , Bauer Andreas , Nuernberger Patrick , Bach Thorsten
Published: August 2020

The photochemical deracemization of spiro[cyclopropane‐1,3′‐indolin]‐2′‐ones (spirocyclopropyl oxindoles) was studied. The corresponding 2,2‐dichloro compound is configurationally labile upon direct irradiation at λ=350 nm and upon irradiation at λ=405 nm in the presence of achiral thioxanthen‐9‐one as the sensitizer. The triplet 1,3‐diradical intermediate generated in the latter reaction was detected by transient absorption spectroscopy and its lifetime determined (τ=22 μs). Using a chiral thioxanthone or xanthone, with a lactam hydrogen bonding site as a photosensitizer, allowed the deracemization of differently substituted chiral spirocyclopropyl oxindoles with yields of 65–98 % and in 50–85 % ee (17 examples). Three mechanistic contributions were identified to co‐act favorably for high enantioselectivity: the difference in binding constants to the chiral thioxanthone, the smaller molecular distance in the complex of the minor enantiomer, and the lifetime of the intermediate 1,3‐diradical.
Design Strategy Towards Horizontally Oriented Luminescent Tetradentate‐Ligand‐Containing Gold(III) Systems
Authors: Tang Man‐Chung , Li Lok‐Kwan , Lai Shiu‐Lun , Cheung Wai‐Lung , Ng Maggie , Wong Chun‐Yin , Chan Mei‐Yee , Yam Vivian Wing‐Wah
Published: August 2020

Phosphorescent dopants are promising candidates for organic light‐emitting diodes (OLEDs). Although it has been established that the out‐coupling efficiency and overall performances of vacuum‐deposited OLEDs can be significantly improved by a horizontal orientation of the dopants, no horizontally oriented gold(III) complexes have been reported to date. Herein, a novel class of tetradentate C^C^N^N ligand‐containing gold(III) complexes with a preferential horizontal orientation successfully generated through a one‐pot reaction is reported. These complexes demonstrate high photoluminescence quantum yields of 70 % and a high horizontal dipole ratio of 0.87 in solid‐state thin films. Green‐emitting OLEDs based on these complexes operate with a maximum external quantum efficiency of 20.6 % with an estimated out‐coupling efficiency of around 30 %. A promising device stability has been achieved in the vacuum‐deposited OLEDs, with operational half‐lifetimes of around 37 500 h at 100 cd m−2.
Construction of Axially Chiral Compounds via Central‐to‐Axial Chirality Conversion
Authors: Yang Hui , Chen Jie , Zhou Ling
Published: August 2020

Central‐to‐axial chirality conversion represents a fascinating class of chemical processes consisting of the destruction of stereogenic centers and the simultaneous installation of axial chiral elements, which provides efficient methods for the preparation of axially chiral compounds. Using the strategy, a wide range of axially chiral compounds, including biaryls, heterobiaryls, aromatic amides, allenes and vinyl arenes, have been synthesized with high efficiency and excellent enantioselectivity. In addition, central‐to‐axial chirality conversion strategy has been applied to the synthesis of natural products. The strategy has undoubtedly become and will continue to be a hot research topic in the field of asymmetric catalysis and synthesis. In this minireview, we selected some examples to introduce the developments and trends in the central‐to‐axial chirality conversion strategy up to April 2020.
Recent Advances in Luminescent Recognition and Chemosensing of Iodide in Water
Authors: Valdes‐García Josue , Rosales‐Vázquez Luis D. , Bazany‐Rodríguez Iván J. , Dorazco‐González Alejandro
Published: August 2020

This Minireview covers the latest developments of chemosensors based on transition‐metal receptors and organic fluorophores with specific binding sites for the luminescent detection and recognition of iodide in aqueous media and real samples. In all selected examples within the last decade (made‐post 2010), the iodide sensing and recognition is probed by monitoring real‐time changes of the fluorescence or phosphorescence properties of the chemosensors. This review highlights effective strategies to iodide sensing from a structural approach where the iodide recognition/sensing process, through supramolecular interactions as coordination bonds, hydrogen bonds, halogen bonds and electrostatic interactions, is transduced into an optical change easily measurable. The selective iodide sensing is an active field of research with global interest due to the importance of iodide in biological, medicinal, industrial, environmental and chemical processes.
Synthesis of Sub‐nanometer Porous Carbon Film for Energy Storage
Authors: Shu Zhen , Liu Zhifang , Cao Huaqiang
Published: August 2020

Carbon‐based supercapacitors are a kind of supercapacitors with very promising applications because of their low cost, good stability and adjustable properties. Simple and rapid syntheses of carbon materials with a high surface area and narrow pore size distribution are of great significance to practical applications of carbon‐based supercapacitors. Here we report a new strategy to synthesize sub‐nanometer porous carbon films (Snp‐CF) via a condensation reaction under mild conditions. Carbon films exhibit a narrow pore size distribution (6.6 Å) and high surface area (508 m2 g−1) after annealing at 700 °C. Snp‐CF‐700 displays a good specific capacity and excellent cycle performance (130 F g−1 after 5000 cycles, 118 % of initial 110 F g−1).
Activation of the Unreactive Bond in C70 Fullerene toward Diels‐Alder Reaction by Encapsulation of a Lithium Atom
Authors: Li Zisheng , Jiang Yuhang , Wu Yabei , Wang Zhiyong
Published: August 2020

Diels‐Alder cycloaddition reaction is useful for generation of covalent derivatives of fullerenes. Diels‐Alder reactions of C70 and dienes usually take place at the carbon‐carbon bond that has a short bond length in C70, while the bonds with long lengths are generally unreactive. In this paper, we investigated the reactivities of Li+@C70 and Li@C70 toward Diels‐Alder reactions with cyclohexadiene by means of density functional theory calculations. We found that the thermodynamic and kinetic reactivities of the fullerene cage are changed significantly after the encapsulation of the lithium ion or atom. The encapsulated lithium ion causes a remarkable decrease of the activation barrier for the cycloaddition reaction, which can be ascribed to the enhanced orbital interaction between cyclohexadiene and the fullerene cage. The unreactive bond with a long length in C70 is activated efficiently after the encapsulation of the lithium atom. According to the activation‐strain model analysis, the improved reactivity of the long bond is associated with the small deformation energy and large interaction energy of the reactants. Unlike conventional Diels‐Alder reactions that proceed through concerted mechanism, the reaction of Li@C70 and cyclohexadiene undergoes an unusual stepwise mechanism because of the open‐shell electronic structure of Li@C70.
The effects of essentialist thinking toward biosocial risk factors for criminality and types of offending on lay punishment support
Authors: Berryessa Colleen M.
Published: August 2020

This research uses experimental methods to gauge how different facets of essentialist thinking toward (1) types of offending and (2) biosocial risk factors for criminality predict lay punishment support. A randomized between‐subjects experiment using contrastive vignettes was conducted with members of the general public (N = 897). Overall, as hypothesized, aspects of essentialist thinking, particularly informativeness, continuity, immutability, and discreteness, toward both biosocial risk factors and types of offending behavior generally predicted more severe punishments surrounding retribution, incapacitation, and deterrence. Yet, surprisingly, several of the same beliefs, specifically toward discreteness and informativeness, also predicted non‐punitive sentiments toward restoration and decreased prison time in some contexts. This work demonstrates that essentialist thinking not only may affect how the public cognitively categorizes biosocial risk factors for criminality and types of offending, but also may have consequences for public support for the punishment of offenders with particular offense records or characteristics.
Chronic lymphocytic leukemia skin infiltrates presenting as eyebrow alopecia and erythematous pruritic papules refractory to treatment with topical steroids
Authors: Zhu Jane L. , Goff Heather W.
Published: August 2020

We describe a patient who presented with erythematous papules and hair loss solely limited to the eyebrows. Clinicians should be aware of this presentation of leukemia cutis and consider this diagnosis in a patient with a history of CLL.
Transabdominal ultrasound sonography findings in peritonitis due to the spread of Crohn's disease to the penetration
Authors: Takahara Masahiro , Hiraoko Sakiko , Okada Hiroyuki
Published: August 2020

In the presence of the clinical signs of peritonitis, transabdominal ultrasound sonography by experienced technicians or physicians could be a fast and reliable imaging tool for confirmation of disease status.
Gingival metastasis of a breast carcinoma
Authors: Ndiaye Moustapha , Faye Ababacar Diegane , Diouf Mame Sanou , Ndiaye Ciré , Sy Abdou , Diallo Adja Coumba , Loum Birame , Deguenonvo Richard , Diom Evelyne Siga , Ndiaye Malick , Ndiaye Issa Cheikh , Diallo Bay Karim , Tall Abdourahmane , Diouf Raymond
Published: August 2020

We report a case of metastasis to the gingiva of breast carcinoma. The breast tumor was treated with neoadjuvant chemotherapy followed by a radical mastectomy associated with axillary dissection. The gingival lesion occurred 7 months after surgery; the metastasis was confirmed by a biopsy.
Catalytic Activity of Ti‐based MXenes for the Hydrogenation of Furfural
Authors: Naguib Michael , Tang Wenjie , Browning Katie L. , Veith Gabriel M. , Maliekkal Vineet , Neurock Matthew , Villa Alberto
Published: August 2020

Herein we report on the catalytic activity of Ti‐based MXenes (Ti3CNTz and Ti3C2Tz) for biomass transformation. MXenes were found to be active catalysts for the hydrogenation of furfural using either gaseous hydrogen or 2‐propanol as solvent and hydrogen source. Both catalysts showed good activity in the conversion of furfural to furfuryl alcohol, with furfuryl ether as the main by‐product. Stability tests indicated that Ti3CNTz is more stable than Ti3C2Tz against deactivation. Ab initio calculations were used to examine the hydrogenation and etherification reactions pathways and their corresponding reaction energetics on the Ti3CNTz MXene. The results indicate that the hydrogenation of the carbonyl bond efficiently proceeds via the heterolytic activation of hydrogen over the metal‐oxygen site pair followed by the addition of the proton and hydride to the C and O atoms of the carbonyl. The subsequent hydrogenation of the unsaturated furan ring via metal bound hydrogen, however, is calculated to be much more difficult. Protons bound to the oxygen of the MXene are acidic and can also catalyze the etherification of the resulting alcohols. The bifunctional acid‐metal site pairs also selectively catalyze the hydrogenolysis of the furfuryl alcohol to form 2‐methyl furan.
Time Programmable Locking/Unlocking of the Calix[4]arene Scaffold by Means of Chemical Fuels
Authors: Del Giudice Daniele , Spatola Emanuele , Cacciapaglia Roberta , Casnati Alessandro , Baldini Laura , Ercolani Gianfranco , Di Stefano Stefano
Published: August 2020

In this work, we report that 2‐cyano‐2‐phenylpropanoic acid and its p‐Cl, p‐CH3 and p‐OCH3 derivatives can be used as chemical fuels to control the geometry of the calix[4]arene scaffold in its cone conformation. It is shown that, under the action of the fuel, the cone calix[4]arene platform assumes a “locked” shape with two opposite aromatic rings strongly convergent and the other two strongly divergent (“pinched cone” conformation). Only when the fuel is exhausted, the cone calix[4]arene scaffold returns to its resting, “unlocked” shape. Remarkably, the duration of the “locked” state can be controlled at will by varying the fuel structure or amount. A kinetic study of the process shows that the consume of the fuel is catalyzed by the “unlocked” calixarene that behaves as an autocatalyst for its own production. A mechanism is proposed for the reaction of fuel consumption.
Main Group Multiple Bonds for Bond Activations and Catalysis
Authors: Weetman Catherine
Published: August 2020

Since the discovery that the so‐called “double‐bond” rule could be broken, the field of molecular main group multiple bonds has expanded rapidly. With the majority of homodiatomic double and triple bonds realised within thep‐block, along with many heterodiatomic combinations, this Minireview examines the reactivity of these compounds with a particular emphasis on small molecule activation. Furthermore, whilst their ability to act as transition metal mimics has been explored, their catalytic behaviour is somewhat limited. This Minireview aims to highlight the potential of these complexes towards catalytic application and their role as synthons in further functionalisations making them a versatile tool for the modern synthetic chemist.
Scheidung auf chemisch
Authors: Groß Michael
Published: August 2020

Wenn die Chemie nicht mehr stimmt, dann paaren sich Insekten getrennter Populationen nicht mehr miteinander und evolvieren zu verschiedenen Arten. Chemische Verständigungsprobleme werden für die Trennung der Abstammungslinien von Tabakschwärmer und Seidenspinner vor 12 Millionen Jahren verantwortlich gemacht. Eine neue Arbeit beschreibt jetzt den Vorgang in statu nascendi bei vier Unterarten der Taufliege Drosophila mojavensis.
Warum klopfen Rohre manchmal, wenn man den Wasserhahn zudreht?
Authors: Litzius Kai
Published: August 2020

Vielleicht sind Sie diesem Phänomen schon einmal begegnet: Sie drehen Ihren Wasserhahn voll auf, um beispielsweise Ihre Badewanne zu füllen. Dann wollen Sie den Fluss stoppen und drehen das Ventil schnell zu. Plötzlich, genau in dem Moment, in dem sich das Ventil schließt, hören Sie ein Klopfen in den Wänden um Sie herum. Manchmal ist es eher leise, manchmal kann es erschreckend laut sein. Aber was verursacht diese Geräusche eigentlich, und sollten Sie sich darüber Sorgen machen?
Antimicrobial Peptide Mimetics Based on a Diphenylacetylene Scaffold: Synthesis, Conformational Analysis, and Activity
Authors: Peacock Hayden , Henriques Sónia Troeira , Benfield Aurélie H. , Elliott Alysha G. , Luo Jinghui , Luccarelli James , Nagano Masanobu , Craik David J. , Hamilton Andrew D.
Published: August 2020

Mimics of natural antimicrobial peptides are promising compounds to fight the rising threat of multi‐drug resistant bacteria. Here we report the design, synthesis and conformational analysis of a new class of antimicrobial peptide mimetics incorporating a diphenylacetylene scaffold. Within a small set of compounds, we observe a correlation between amphiphilicity, the efficiency of partitioning into negatively charged membranes and antibacterial activity. The most amphiphilic compound, which contains four isoleucine residues and four lysine residues, displays species‐selective antibacterial activity (most active against Bacillus subtills) and low haemolytic activity. Solution‐phase conformational analysis of this compound indicates that a defined structure is adopted in the presence of negatively charged phospholipid membranes and aqueous 2,2,2‐trifluoroethanol but not in water. A conformation model indicates that the cationic and hydrophobic functional groups are segregated. These results may inform the development of highly selective antimicrobial peptide mimetics for therapeutic applications.
Strategies and Recommendations for Using a Data‐Driven and Risk‐Based Approach in the Selection of First‐in‐Human Starting Dose: An International Consortium for Innovation and Quality in Pharmaceutical Development (IQ) Assessment
Authors: Leach Michael W. , Clarke David O. , Dudal Sherri , Han Chao , Li Chunze , Yang Zheng , Brennan Frank R. , Bailey Wendy J. , Chen Yingxue , Deslandes Antoine , Loberg Lise I. , Mayawala Kapil , Rogge Mark C. , Todd Marque , Chemuturi Nagendra V.
Published: August 2020

Various approaches to first‐in‐human (FIH) starting dose selection for new molecular entities (NMEs) are designed to minimize risk to trial subjects. One approach uses the minimum anticipated biological effect level (MABEL), which is a conservative method intended to maximize subject safety and designed primarily for NMEs having high perceived safety risks. However, there is concern that the MABEL approach is being inappropriately used for lower risk molecules with negative impacts on drug development and time to patient access. In addition, ambiguity exists in how MABEL is defined and the methods used to determine it. The International Consortium for Innovation and Quality in Pharmaceutical Development convened a working group to understand current use of MABEL and its impact on FIH starting dose selection, and to make recommendations for FIH dose selection going forward. An industry‐wide survey suggested the achieved or estimated maximum tolerated dose, efficacious dose, or recommended phase II dose was > 100‐fold higher than the MABEL‐based starting dose for approximately one third of NMEs, including trials in patients. A decision tree and key risk factor table were developed to provide a consistent, data driven‐based, and risk‐based approach for selecting FIH starting doses.
Refined RGB Strategy for the Synthesis of Polymer‐Based Full Organic Luminescent Nanotubes with Broad Emission Bands
Authors: Petrov Ravil , Loumaigne Matthieu , Barillé Régis , Frère Pierre
Published: August 2020

Light‐emitting polymer nanotubes with tailored fluorescence emission bands have been prepared using organic emissive materials based on benzofuran, carbazole, and indolocarbazole scaffolds and investigated with the goal to obtain pure white‐light emission at the nanoscale. The polymer nanostructures were obtained by the anodic aluminium oxide (AAO) template method with PMMA as a transparent polymer matrix and a proficient choice of organic dyes emitting in the blue, green, yellow and red parts of the spectral range. It is demonstrated that combining aqueous dispersions of monochromatic nanotubes is an effective way of generating white light emission due to a simple correlation between the individual color components. Furthermore, it is also possible to target white emission at the nanoscale by adjusting the concentration of the dyes inside single nanotubes in order to obtain optimal color coordinates of ca. 0.3 in the CIE chromaticity diagram.
Hydroxymethylfurfural and its Derivatives: Potential Key Reactants in Adhesives
Authors: Rosenfeld Catherine , Konnerth Johannes , Sailer‐Kronlachner Wilfried , Rosenau Thomas , Potthast Antje , Solt Pia , van Herwijnen Hendrikus W. G.
Published: August 2020

5‐Hydroxymethylfurfural (HMF) is a promising bio‐derived platform chemical with a broad scope of application, for example, in the production of solvents, fuels, polymers, or adhesives. The wood and foundry industries are among the largest adhesive users and currently both rely to a large extent on the use of fossil‐based binders, such as by using formaldehyde as a crosslinker in many commercial adhesive systems. The industry is thus looking for suitable alternatives to replace fossil‐based chemicals. HMF and its derivatives are considered to be key renewable reactants in adhesive systems. The core of this Review is the critical evaluation of the potential of HMF and its derivatives in adhesive systems. The technological performance was assessed in the fields of wood‐based materials, sand casting and composites. As an overall conclusion, HMF and its derivatives have a high application potential in alternative adhesives. Clearly, further research is needed to improve the performance and produce economically competitive adhesives.
Nitrogen‐containing flavonoid and their analogs with diverse B‐ring in acetylcholinesterase and butyrylcholinesterase inhibition
Authors: Lu Qiao‐Qiao , Chen Ya‐Ming , Liu Hao‐Ran , Yan Jian‐Ye , Cui Pei‐Wu , Zhang Qian‐Fan , Gao Xiao‐Hui , Feng Xing , Liu Ying‐Zi
Published: August 2020

In this study, a series of new flavones (2‐phenyl‐chromone), 2‐naphthyl chromone, 2‐anthryl‐chromone, or 2‐biphenyl‐chromone derivatives containing 6 or 7‐substituted tertiary amine side chain were designed, synthesized, and evaluated in acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibition. The results indicated that the alteration of aromatic ring connecting to chromone scaffold brings about a significant impact on biological activity. Compared with flavones, the inhibitory activity of 2‐naphthyl chromone, 2‐anthryl‐chromone derivatives against AChE significantly decreased, while that of 2‐biphenyl chromone derivatives with 7‐substituted tertiary amine side chain is better than relative flavones derivatives. For all new synthesized compounds, the position of tertiary amine side chain obviously influenced the activity of inhibiting AChE. The results above provide great worthy information for the further development of new AChE inhibitors. Among the newly synthesized compounds, compound 5a is potent in AChE inhibition (IC50 = 1.29 ± 0.10 μmol/L) with high selectivity for AChE over BChE (selectivity ratio: 27.96). An enzyme kinetic study of compound 5a suggests that it produces a mixed‐type inhibitory effect against AChE.
Investigation of Straightforward, Photoinduced Alkylations of Electron‐Rich Heterocompounds with Electron‐Deficient Alkyl Bromides in the Sole Presence of 2,6‐Lutidine
Authors: Fuks Elina , Huber Laura , Schinkel Thea , Trapp Oliver
Published: August 2020

Alkylations of simple electron‐rich heterocompounds deliver valuable target structures in bioorganic and medicinal chemistry. Herein, we present a straightforward and photosensitizer free approach for the photoinduced C–C coupling of electron‐rich unsaturated heterocompounds with alkyl bromides using 405 nm and 365 nm irradiation. Comprehensive mechanistic studies indicate the involvement of 2,6‐lutidine in the formation of a non‐covalently bound intermediate to which the function of a photosensitizer is attributed. UV/Vis spectra reveal the formation of a bathochromic shifted band when the electron‐deficient alkyl bromide is mixed with the structural motif of 2,6‐substituted pyridine. Upon photochemical excitation of this band, we find the initiation of the C–C bond‐forming reaction. Using this approach highly versatile alkylation products, e.g. α‐substituted ketones and 2‐substituted furan, thiophene, and pyrrole derivatives, are obtained in high selectivity. Furthermore, this synthetic methodology can be applied to access substituted indoles, which cannot be obtained by other transformations.
A three‐dimensional macroelement for modelling the in‐plane and out‐of‐plane response of masonry walls
Authors: Vanin Francesco , Penna Andrea , Beyer Katrin
Published: August 2020

The seismic performance of unreinforced masonry buildings is commonly assessed using equivalent frame modelling. Its computational efficiency allows for a large number of analyses to be conducted, which are often required to account for epistemic and aleatoric uncertainties. To obtain a full description of the building response, in‐plane and out‐of‐plane failure modes need to be considered, though previous elements for equivalent frame models of unreinforced masonry buildings only account for the in‐plane response. This paper presents the formulation of a three‐dimensional macroelement for modelling the dynamic in‐plane and out‐of‐plane behaviour of masonry panels, which extends the approach of a previously developed macroelement to simulate the in‐plane response. The proposed three‐node, three‐dimensional macroelement is implemented in the software OpenSees and describes the main features of the in‐plane and out‐of‐plane behaviour of a masonry wall, including second‐order geometrical effects and a coupled shear/flexural response. It also allows for the use of complex material models. The proposed element is used to simulate experimental results for in‐plane shear‐compression tests and out‐of‐plane free vibration tests of masonry panels. The implemented element, as well as the example models, is openly shared through the repository https://github.com/eesd-epfl/OpenSees/wiki.
Experimental investigation of the suppression effects of ammonium polyphosphate on explosion characteristics of unsaturated polyester resin dust
Authors: Yang Jie , Yu Yuan , Li Yunhao , Zhang Qingwu , Suo Yifan , Li Changxin , Jiang Juncheng
Published: August 2020

The suppression effects of Ammonium Polyphosphate (APP) with different mass fractions on the maximum explosion pressure (Pmax), the explosibility index (Kst), the minimum ignition energy (MIE) and the minimum ignition temperature (MIT) of unsaturated polyester resin (UPR) dust were studied. Results indicated that the explosion severity and the ignition sensitivity of UPR dust decreased gradually when the mass fractions of APP increased. There existed a minimum inerting concentration (MIC), and the explosion of UPR dust could be suppressed completely by 60 wt% APP. Moreover, APP had a great inhibiting effect on the MIE of UPR dust cloud. The calculated MIE of UPR dust cloud increased from 10 mJ to 998 mJ when the mass fractions of APP increased to 30 wt%. Furthermore, the MIT of UPR dust cloud increased with the increase of the mass fractions of APP. When the mass fraction of APP increased to 80 wt%, the MIT increased by 290°C. The suppression mechanism of APP was studied according to thermogravimetry (TG) and differential scanning calorimetry (DSC) tests. Thermal analysis results showed that the addition of APP could increase the thermal stability of UPR. The suppression mechanism was reflected on the consumption of H and OH radicals.
Transplanting fecal material from wild‐type mice fed black raspberries alters the immune system of recipient mice
Authors: Huang Yi‐Wen , Pan Pan , Echeveste Carla Elena , Wang Hsin‐Tzu , Oshima Kiyoko , Lin Chien‐Wei , Yearsley Martha , Xiao Jianbo , Chen Jiebiao , Sun Chongde , Yu Jianhua , Wang Li‐Shu
Published: August 2020

By constantly stimulating intestinal immunity, gut microbes play important regulatory roles, and their possible involvement in human physical and mental disorders beyond intestinal diseases suggests the importance of maintaining homeostasis in the gut microbiota. Both transplantation of fecal microbiota and dietary interventions have been shown to restore microbial homeostasis in recipients. In the current study with wild‐type mice, we combined these two approaches to determine if transplanting fecal material from mice fed black raspberries (BRB, 5%) altered recipients’ immune system. The donors received a control or 5% BRB diet, and fecal transplantation was performed every other day 15 times into recipients fed control diet. Afterward, we used flow cytometry to analyze populations of CD3+ T, CD4+ T, CD8+ T cells, and NK cells among bone marrow cells, splenocytes, and peripheral blood mononuclear cells (PBMCs) collected from the recipients. We found that BRB‐fecal material that contained both fecal microbiota and their metabolites increased NK cell populations among bone marrow cells, splenocytes, and PBMCs, and raised levels of CD8+ T cells in splenocytes. Our findings suggest that fecal transplantation can modulate the immune system and might therefore be valuable for managing a range of physical and mental disorders.
When will China fulfill its carbon‐related intended nationally determined contributions? An in‐depth environmental Kuznets curve analysis
Authors: Meng Ming , Shang Wei , Wang Xinfang , Pang Tingting
Published: August 2020

Considering the enormous amounts of carbon dioxide (CO2) emissions generated in China, the country's fulfillment of its Intended Nationally Determined Contributions (INDCs) is essential in achieving the goal of mitigating global climate change delineated in the Paris Agreement. In order to forecast the future development of China's carbon‐related INDC indicators, this research uses a segmented quadratic equation to fit the relationship between economic level and CO2 emissions and a hybrid trend extrapolation model to forecast the emission‐related indicators. The empirical analysis shows that China's CO2 emission peak appeared in 2018 with an emission amount of 9.36 billion tons. The future CO2 emissions after 2018 will present a fluctuating and slowly decreasing trend. As to the carbon intensity, China will meet the INDC target (lower by 60–65% from the 2005 level) in 2022–2023. At that time, China's CO2 emissions will be 8.43–7.96 billion tons and GDP will reach 109.71–125.39 trillion yuan. Furthermore, the empirical analysis also shows that even if China's carbon intensity target is successfully realized, it will still have considerable potential for further reduction. © 2020 Society of Chemical Industry and John Wiley & Sons, Ltd.
Treatment flows after outsourcing public insurance provision: Evidence from Florida Medicaid
Authors: Munnich Elizabeth L. , Richards Michael R.
Published: August 2020

While politics can determine what public goods are available, elected officials must decide on the method of allocation. Commonly, governments provide public health insurance directly or pay private parties to administer it on their behalf. Such contracting can leverage private sector expertise but also raises agency concerns. In particular, little is known about how private provision of public health insurance impacts medical decision‐making and treatment flows for low‐income populations. An example comes from the Medicaid program, which has increasingly relied on outside insurers to deliver health services to enrollees. We exploit a large legislative intervention in Florida to show that Medicaid managed care (MMC) organizations generally do not skimp on short‐run treatment delivery in the inpatient setting. In fact, patients with severe and chronic illnesses receive more inpatient services under these contracts, especially in relation to managing care transitions. We also document increased competition in the MMC market following the state's policy intervention.
Dynamic volatility linkages and hedging between commodities and sectoral stock returns in Turkey: Evidence from SVAR‐cDCC‐GARCH model
Authors: Civcir İrfan , Akkoç Uğur
Published: August 2020

High volatility in international prices of strategic commodities like oil and gold can have negative effects on the macroeconomics of the emerging economies and their stock markets. This study deals with the analysis of the dynamic relationship between oil, gold and sectoral stock returns in Turkey after the global financial crises. Movements of the sectoral stock returns with the international oil and gold returns have been examined by the Structural Vector Autoregression ‐ corrected Generalized Autoregressive Conditional Heteroskedasticity (SVAR‐cDCC‐GARCH) framework. Our results support the presence of time‐varying co‐movement and volatility spillover from gold and oil to Turkish sectoral stock market. The investigation of volatility has shown that shocks are highly persistent in the long run for all sectoral indices. Furthermore, our results indicate that volatility spillover from international commodity to sectoral indices vary significantly. Results imply that Turkey needs dynamic macroeconomic policies to manage the spillover effects of volatility. The results are also valuable to investors in reducing the risk of their portfolios by diversifying and hedging their investment across different sectors.
Why do some merger and acquisitions deals fail? A global perspective
Authors: Attah‐Boakye Rexford , Guney Yilmaz , Hernandez‐Perdomo Elvis , Mun Johnathan
Published: August 2020

We analyse why some merger and acquisitions (M&A) deals are withdrawn paying particular attention to the economic freedom and legal environment of countries. We use a large dataset based on deals worldwide from over 140 countries during the period 1977–2014. Our core finding is that the likelihood of a deal's withdrawal tends to increase if the economic freedom/quality of legal environment of the acquiring (target) firm's country is higher (lower). These core findings matter more for the non‐financial sector, during non‐crisis years, and in developed financial markets. We also report that the deals have higher tendency to be withdrawn if the target firm's size is larger or its profitability is lower; and the acquiring firm's size is smaller. Furthermore, our analyses reveal that deal characteristics (i.e., deal attitude, means of payment, deal size, ownership sought) also matter in affecting the outcome of announced M&A deals.
Contemporaneous linkages: Funding liquidity and stock market spirals
Authors: Mishra Ajay Kumar , Parikh Bhavik , Spahr Ronald W.
Published: August 2020

We observe, especially during financial crisis periods, that central bank policies may trigger credit rationing and borrowing cost increases, resulting in contemporaneous institutional lender and market maker funding illiquidity. In turn, funding illiquidity is transmitted through banks and broker/dealers to market illiquidity of individual stocks. Thus, funding illiquidity, often originating with central bank monetary policy, is contemporaneously conveyed through institutional lenders, transferred to broker/dealers and spawns interconnected stock market illiquidity spirals and loss spirals. Our results are consistent and robust across different models that control for endogenous and exogenous factors.
On the persistence of UK inflation: A long‐range dependence approach
Authors: Caporale Guglielmo Maria , Gil‐Alana Luis Alberiko , Trani Tommaso
Published: August 2020

This paper examines the degree of persistence in UK inflation by applying long‐memory methods to historical data that span the period from 1660 to 2016. Specifically, we use both parametric and non‐parametric fractional integration techniques, that are more general than those based on the classical I(0) vs. I(1) dichotomy. Further, we carry out break tests to detect any shifts in the degree of persistence, and also run rolling‐window and recursive regressions to investigate its evolution over time. On the whole, the evidence suggests that the degree of persistence of UK inflation has been relatively stable following the Bretton Woods period, despite the adoption of different monetary regimes. The estimation of an unobserved‐components stochastic volatility model sheds further light on the issues of interest by showing that post‐Bretton Woods changes in UK inflation are attributable to a fall in the volatility of permanent shocks. The same type of analysis carried out for US inflation, for comparison purposes, leads to broadly similar conclusions.
A latent‐factor‐driven endogenousregime‐switching non‐Gaussianmodel: Evidence from simulation and application
Authors: Bu Ruijun , Cheng Jie , Jawadi Fredj
Published: August 2020

Regime‐switching models are widely used in empirical economics and finance research for their ability to identify and account for the impact of latent regimes or states on the behaviour of the interested variables. Meanwhile, empirical evidence often reveals complex non‐Gaussian characteristics in the state‐dependent dynamics. We generalize the latent‐factor‐driven endogenous regime‐switching Gaussian model of Chang, et al.,Journal of Econometrics, 2017,196, 127–143 by allowing the state‐dependent conditional distributions to be non‐Gaussian. Our setup is more general and promises substantially broader relevance and applicability to empirical studies. We provide evidence to justify our generalization by a simulation study and a real data application. Our simulation results confirm that when the state‐dependent dynamics are misspecified, the bias of model parameter estimates, the power of the likelihood ratio test against endogenous regime changes, and the quality of the extracted latent factor all deteriorate quite considerably. In addition, our application to the S&P 500 index return data reveals strong evidence in favour of our non‐Gaussian assumption, and the superiority of our model specification delivers an important risk management implication.
Successful treatment of recurrent small cell carcinoma of urinary bladder with pembrolizumab
Authors: Hatayama Tomoya , Hayashi Tetsutaro , Matsuzaki Shinji , Masumoto Hiroshi , Yanai Hiroyuki , Abdi Hamidreza , Teishima Jun , Hasegawa Yasuhisa
Published: August 2020

Introduction

Small cell carcinoma of urinary bladder is rare and has an aggressive malignant behavior and poor prognosis. Advanced bladder cancers are treated with immune checkpoint inhibitors, however, its efficacy for small cell carcinoma of urinary bladder is unclear.

Case presentation

A 54‐year‐old female, diagnosed with clinical stage T2N0M0 small cell carcinoma of urinary bladder, underwent radical cystectomy after three cycles of etoposide‐cisplatin neoadjuvant chemotherapy. Despite the fact that pathological examination revealed no residual carcinoma in bladder in her cystectomy specimen, local recurrence of a 60‐mm mass detected in the follow‐up investigation 7.5 months later. This was completely treated by pembrolizumab without any adverse effects. Immunohistochemical staining revealed that the tumor had no programmed death ligand 1 expression but it showed CD8‐positive T‐lymphocyte infiltration into the tumor.

Conclusion

Immune checkpoint inhibitors might have curative potentials for treatment of small cell carcinoma of urinary bladder.