bluuebunny/crossref_metadata_2025 huggingface dataset:
Catalytic Polysulfide Conversion and Physiochemical Confinement for Lithium–Sulfur Batteries
Authors: Sun Zixu , Vijay Sudarshan , Heenen Hendrik H. , Eng Alex Yong Sheng , Tu Wenguang , Zhao Yunxing , Koh See Wee , Gao Pingqi , Seh Zhi Wei , Chan Karen , Li Hong
Published: April 2020

The lithium–sulfur (Li–S) battery is widely regarded as a promising energy storage device due to its low price and the high earth‐abundance of the materials employed. However, the shuttle effect of lithium polysulfides (LiPSs) and sluggish redox conversion result in inefficient sulfur utilization, low power density, and rapid electrode deterioration. Herein, these challenges are addressed with two strategies 1) increasing LiPS conversion kinetics through catalysis, and 2) alleviating the shuttle effect by enhanced trapping and adsorption of LiPSs. These improvements are achieved by constructing double‐shelled hollow nanocages decorated with a cobalt nitride catalyst. The N‐doped hollow inner carbon shell not only serves as a physiochemical absorber for LiPSs, but also improves the electrical conductivity of the electrode; significantly suppressing shuttle effect. Cobalt nitride (Co4N) nanoparticles, embedded in nitrogen‐doped carbon in the outer shell, catalyze the conversion of LiPSs, leading to decreased polarization and fast kinetics during cycling. Theoretical study of the Li intercalation energetics confirms the improved catalytic activity of the Co4N compared to metallic Co catalyst. Altogether, the electrode shows large reversible capacity (1242 mAh g−1 at 0.1 C), robust stability (capacity retention of 658 mAh g−1 at 5 C after 400 cycles), and superior cycling stability at high sulfur loading (4.5 mg cm−2).
Eravacycline for the treatment of complicated intra‐abdominal infections
Authors: Wang Hongmei , Nguyen Namphi , Cruz Christopher
Published: April 2020

Eravacycline is a novel fluorocycline antibiotic in the tetracycline class, with activities against multidrugresistant organisms, extended‐spectrum β‐lactamase‐producing (ESBL) bacteria, and carbapenem‐resistant Enterobacteriaceae. The approval of eravacycline by the U.S. Food and Drug Administration for the treatment of complicated intra‐abdominal infection (cIAIs) was based on the success of two‐Phase III clinical trials: IGNITE 1 and IGNITE 4. Two other Phase III trials, IGNITE 2 and IGNITE 3, have been conducted to assess efficacy and safety of eravacycline vs levofloxacin and ertapenem, respectively, for the treatment of complicated urinary tract infection, however, did not prove eravacycline's non‐inferiority. Therefore, eravacycline is approved for the treatment of cIAIs caused by gram‐positive organisms, gram‐negative organisms, and anaerobic pathogens in hospitalized patients aged 18 or older. Eravacycline has become a valuable medication to clinicians due to its unique coverage. Eravacycline is a great alternative in replacing carbapenems for patients with beta‐lactam allergy due to its ESBL coverage. In addition, eravacycline covers atypical organisms and Methicillin‐resistant Staphylococcus aureus, which carbapenems cannot. This article is a review of eravacycline's pharmacology, efficacy, safety profile, and potential clinical application.
Compound grips in tufted capuchin monkeys (Sapajusspp andSapajus libidinosus)
Authors: Jones Caroline E. , Fragaszy Dorothy M.
Published: April 2020

An experimental study with captive individuals and study of video recordings of wild monkeys explored whether and how tufted capuchin monkeys use onehand to hold one or more objects with multiple grips (compound grips). A task designed to elicit compound grip was presented to five captive tufted capuchin monkeys (Sapajusspp). The monkeys held one to four balls in onehand and dropped the balls individually into a vertical tube. Multiple simple grips and independent digit movements enabled separate control of multiple objects in one hand. Monkeys always supported the wrist on the horizontal edge of the tube before releasing the ball. Increasing the number of balls decreased the likelihood that the monkeys managed the task. Wild bearded capuchins (Sapajus libidinosus) used compound grips spontaneously to store multiple food items. Compound grips have been described in macaques, gorillas, chimpanzees, and humans, and now in a New World primate. We predict that any primate species that exhibits precision grips and independent digit movement can perform compound grips. Our findings suggest many aspects of compound grip that await investigation.
Microscopic and Mesoscopic Dual Postsynthetic Modifications of Metal–Organic Frameworks
Authors: Lee Byeongchan , Moon Dohyun , Park Jinhee
Published: April 2020

We report the dual postsynthetic modification (PSM) of a metal–organic framework (MOF) involving the microscopic conversion of C−H bonds into C−C bonds and the mesoscopic introduction of hierarchical porosity. MOF crystals underwent single‐crystal‐to‐single‐crystal transformations during the electrophilic aromatic substitution of Co2(m‐DOBDC) (m‐DOBDC4−=4,6‐dioxo‐1,3‐benzenedicarboxylate) with alkyl halides and formaldehyde. The steric hindrance caused by the proximity of the introduced functional groups to the coordination bonds reduced bond stability and facilitated the transformation into hierarchically porous mesostructures by etching with in situ generated protons (hydroniums) and halides. The numerous defect sites in the mesostructural MOFs are potential water‐sorption sites. However, since the introduced functional groups are close to the main adsorption sites, even methyl groups are able to considerably decrease water adsorption, whereas hydroxy groups increase adsorption at low vapor pressures.
Discovery of a Novel Mycobacterial F‐ATP Synthase Inhibitor and its Potency in Combination with Diarylquinolines
Authors: Hotra Adam , Ragunathan Priya , Ng Pearly Shuyi , Seankongsuk Pattarakiat , Harikishore Amaravadhi , Sarathy Jickky Palmae , Saw Wuan‐Geok , Lakshmanan Umayal , Sae‐Lao Patcharaporn , Kalia Nitin Pal , Shin Joon , Kalyanasundaram Revathy , Anbarasu Sivaraj , Parthasarathy Krupakar , Pradeep Chaudhari Namrata , Makhija Harshyaa , Dröge Peter , Poulsen Anders , Tan Jocelyn Hui Ling , Pethe Kevin , Dick Thomas , Bates Roderick W. , Grüber Gerhard
Published: April 2020

The F1FO‐ATP synthase is required for growth and viability of Mycobacterium tuberculosis and is a validated clinical target. A mycobacterium‐specific loop of the enzyme's rotary γ subunit plays a role in the coupling of ATP synthesis within the enzyme complex. We report the discovery of a novel antimycobacterial, termed GaMF1, that targets this γ subunit loop. Biochemical and NMR studies show that GaMF1 inhibits ATP synthase activity by binding to the loop. GaMF1 is bactericidal and is active against multidrug‐ as well as bedaquiline‐resistant strains. Chemistry efforts on the scaffold revealed a dynamic structure activity relationship and delivered analogues with nanomolar potencies. Combining GaMF1 with bedaquiline or novel diarylquinoline analogues showed potentiation without inducing genotoxicity or phenotypic changes in a human embryonic stem cell reporter assay. These results suggest that GaMF1 presents an attractive lead for the discovery of a novel class of anti‐tuberculosis F‐ATP synthase inhibitors.
Predictable Selectivity in Remote C−H Oxidation of Steroids: Analysis of Substrate Binding Mode
Authors: Olivo Giorgio , Capocasa Giorgio , Ticconi Barbara , Lanzalunga Osvaldo , Di Stefano Stefano , Costas Miquel
Published: April 2020

Predictability is a key requirement to encompass late‐stage C−H functionalization in synthetic routes. However, prediction (and control) of reaction selectivity is usually challenging, especially for complex substrate structures and elusive transformations such as remote C(sp3)−H oxidation, as it requires distinguishing a specific C−H bond from many others with similar reactivity. Developed here is a strategy for predictable, remote C−H oxidation that entails substrate binding to a supramolecular Mn or Fe catalyst followed by elucidation of the conformation of the host‐guest adduct by NMR analysis. These analyses indicate which remote C−H bonds are suitably oriented for the oxidation before carrying out the reaction, enabling prediction of site selectivity. This strategy was applied to late‐stage C(sp3)−H oxidation of amino‐steroids at C15 (or C16) positions, with a selectivity tunable by modification of catalyst chirality and metal.
Nicht in jedem Punkt schuldig: Der “nicht‐unschuldige” Nitrosyl‐Ligand in IUPACs Oxidationsstufen‐Empfehlung
Authors: Ampßler Torsten , Monsch Georg , Popp Jens , Riggenmann Tobias , Salvador Pedro , Schröder Daniel , Klüfers Peter
Published: April 2020

Die Bindung eines Nitrosyl‐Liganden an ein Zentralmetallatom wird durch die Wechselwirkung zwischen den beiden N−O‐π*‐ und zwei Metall‐d‐Orbitalen bestimmt. Diese beiden (Rück‐)Bindungen sind weitgehend kovalent, wodurch deren Zuordnung bei der Oxidationsstufenbestimmung erschwert ist. Dabei erweist sich IUPACs “ionische Näherung” als wirksames Werkzeug, um auf der Grundlage der beteiligten Orbitale eine schlüssige Zuordnung zu erreichen – und zwar ohne den M‐N‐O‐Winkel oder Nettoladungen heranzuziehen.
Electrochemical Reduction of CO2 to Ethane through Stabilization of an Ethoxy Intermediate
Authors: Vasileff Anthony , Zhu Yanping , Zhi Xing , Zhao Yongqiang , Ge Lei , Chen Hao Ming , Zheng Yao , Qiao Shi‐Zhang
Published: April 2020

Electrochemical conversion of CO2 into ethane is seldom observed because of the generally higher selectivity towards methane, ethylene, and ethanol. Consequently, little experimental evidence for its reaction mechanism exists and thus remains largely unknown. Now, by combining electrochemistry with in situ X‐ray absorption fine‐structure and in situ Raman techniques, iodide‐derived copper (ID‐Cu) and oxide‐derived copper (OD‐Cu) systems were studied to obtain a deeper understanding of the CO2 to ethane mechanism. With trace iodine species on the surface and positively charged Cu species, production of ethane is significantly more favored on ID‐Cu compared to OD‐Cu, with higher selectivity and faster kinetics. For the first time, it is experimentally found that the formation of ethane follows the same pathway to ethylene and ethanol, and better stabilization of the late stage ethoxy intermediate can steer the reaction to ethane over ethanol.
All‐Inorganic Lead‐Free 0D Perovskites by a Doping Strategy to Achieve a PLQY Boost from <2 % to 90 %
Authors: Han Peigeng , Luo Cheng , Yang Songqiu , Yang Yang , Deng Weiqiao , Han Keli
Published: April 2020

Zero‐dimensional (0D) lead‐free perovskites have unique structures and optoelectronic properties. Undoped and Sb‐doped all inorganic, lead‐free, 0D perovskite single crystals A2InCl5(H2O) (A=Rb, Cs) are presented that exhibit greatly enhanced yellow emission. To study the effect of coordination H2O, Sb‐doped A3InCl6 (A=Rb, Cs) are also synthesized and further studied. The photoluminescence (PL) color changes from yellow to green emission. Interestingly, the photoluminescence quantum yield (PLQY) realizes a great boost from <2 % to 85–95 % through doping Sb3+. We further explore the effect of Sb3+ dopants and the origin of bright emission by ultrafast transient absorption techniques. Furthermore, Sb‐doped 0D rubidium indium chloride perovskites show excellent stability. These findings not only provide a way to design a set of new high‐performance 0D lead‐free perovskites, but also reveal the relationship between structure and PL properties.
The influences of powder surface energy on the dispersibility technology of polyvinyl alcohol fiber
Authors: Zhao Chunhua , Liang Naixing , Zhu Xiaolong
Published: April 2020

In order to quantitatively analyze the effect of powder on fiber dispersion, the surface free energy theory was applied to test the surface free energy parameters of each powder based on the “capillary rise method”. Then, the surface free energy of each powder was further calculated. Finally, based on a certain ratio, the fiber reinforced cement was formed. In terms of the test piece, the profile of the cement slurry was imaged through the method of scanning electron microscopy. Through the image, the distribution of the fiber in the profile was quantified, and the relationship between the free energy of the powder surface and the distribution of the fiber in the cement slurry was clarified. It indicates that there is a strong correlation between the dispersibility and the surface energy of the powder. The greater the surface energy of the powder, the higher the distribution coefficient of the fiber in the cement paste.
High‐throughput fabrication of carbonized electrospun polyacrylonitrile/poly(acrylic acid) nanofibers with additives for enhanced electrochemical sensing
Authors: Tan Huey Ling , Sanira Putri Maria Kana , Idris Siti Shawalliah , Hartikainen Niklas , Abu Bakar Noor Fitrah , Keirouz Antonios , Radacsi Norbert
Published: April 2020

Lightweight, polyacrylonitrile‐derived electrodes with different additives were fabricated using high‐throughput nozzle‐free electrospinning. The electrospun precursor nanofibers (PNFs) containing iron oxide, gold nanoparticles, or reduced graphene oxide (rGO) were subjected to oxidative stabilization and carbonization to obtain a carbon‐rich conductive nanofiber structure. Scanning electron microscopy showed that the carbon nanofibers contracted between 11 and 55% while the Fourier‐transform infrared spectroscopy confirmed that the carbon nanofibers were thermally stable. Thermogravimetric and differential scanning calorimetry results revealed that the cross‐linking of the chain molecules and cyclization were completed. Next, cyclic voltammetry results indicated that the electroactivity of the modified screen‐printed carbon electrodes was decreased by 85% due to the presence of carbon glue. The modified device presented significant enhanced electrochemical responses with the inclusions of nanoparticles, with rGO showing a 2.13 times higher electroactive surface area, followed by iron oxide (two times) and gold nanoparticles (1.37 times) than the equivalent PNFs.
Mitochondrial Dysfunction in Schizophrenia
Authors: Ni Peiyan , Chung Sangmi
Published: April 2020

Schizophrenia (SCZ) is a severe neurodevelopmental disorder affecting 1% of populations worldwide with a grave disability and socioeconomic burden. Current antipsychotic medications are effective treatments for positive symptoms, but poorly address negative symptoms and cognitive symptoms, warranting the development of better treatment options. Further understanding of SCZ pathogenesis is critical in these endeavors. Accumulating evidence has pointed to the role of mitochondria and metabolic dysregulation in SCZ pathogenesis. This review critically summarizes recent studies associating a compromised mitochondrial function with people with SCZ, including postmortem studies, imaging studies, genetic studies, and induced pluripotent stem cell studies. This review also discusses animal models with mitochondrial dysfunction resulting in SCZ‐relevant neurobehavioral abnormalities, as well as restoration of mitochondrial function as potential therapeutic targets. Further understanding of mitochondrial dysfunction in SCZ may open the door to develop novel therapeutic strategies that can address the symptoms that cannot be adequately addressed by current antipsychotics alone.
Changes in the left temporal microstate are a sign of cognitive decline in patients with Alzheimer’s disease
Authors: Musaeus Christian S. , Engedal Knut , Høgh Peter , Jelic Vesna , Khanna Arjun R. , Kjær Troels Wesenberg , Mørup Morten , Naik Mala , Oeksengaard Anne‐Rita , Santarnecchi Emiliano , Snaedal Jon , Wahlund Lars‐Olof , Waldemar Gunhild , Andersen Birgitte B.
Published: April 2020

Introduction

Large‐scale brain networks are disrupted in the early stages of Alzheimer's disease (AD). Electroencephalography microstate analysis, a promising method for studying brain networks, parses EEG signals into topographies representing discrete, sequential network activations. Prior studies indicate that patients with AD show a pattern of global microstate disorganization. We investigated whether any specific microstate changes could be found in patients with AD and mild cognitive impairment (MCI) compared to healthy controls (HC).

Materials and methods

Standard EEGs were obtained from 135 HC, 117 patients with MCI, and 117 patients with AD from six Nordic memory clinics. We parsed the data into four archetypal microstates.

Results

There was significantly increased duration, occurrence, and coverage of microstate A in patients with AD and MCI compared to HC. When looking at microstates in specific frequency bands, we found that microstate A was affected in delta (1–4 Hz), theta (4–8 Hz), and beta (13–30 Hz), while microstate D was affected only in the delta and theta bands. Microstate features were able to separate HC from AD with an accuracy of 69.8% and HC from MCI with an accuracy of 58.7%.

Conclusions

Further studies are needed to evaluate whether microstates represent a valuable disease classifier. Overall, patients with AD and MCI, as compared to HC, show specific microstate alterations, which are limited to specific frequency bands. These alterations suggest disruption of large‐scale cortical networks in AD and MCI, which may be limited to specific frequency bands.
Bilateral femoral fractures during birth, in a neonate with malformation complex with stiffness
Authors: Laliotis Nikolaos , Tsoni Konstantia , Konstantinidis Panagiotis , Agakidou Eleni , Chrysanthou Chrysanthos
Published: April 2020

Fetuses with prenatal diagnosis of reduced mobility and malformation are at increased risk to sustain neonatal femoral fractures. Labor difficulties even after an elective cesarean section may trigger the fractures of the long bones.
Self‐Supported CoP Nanoparticle‐Embedded Wood‐Derived Porous Carbon Membrane for Efficient H2 Evolution in Both Acidic and Basic Solutions
Authors: Min Shixiong , Deng Wanan , Li Yanan , Wang Fang , Zhang Zhengguo
Published: April 2020

Self‐supported carbon‐based electrocatalysts that possess good structural integrity, high activity, and excellent stability are being extensively pursued for applications in practical electrochemical energy conversion devices. Herein, we report a nature‐inspired and straightforward strategy to fabricate a self‐supported CoP nanoparticle‐embedded wood‐derived porous carbon membrane (CoP@PCM) as a highly efficient and stable electrocatalyst for the hydrogen evolution reaction (HER) in both acidic and basic solutions. Benefitting from the numerous aligned microchannels and high porosity of PCM, as well as the high dispersion of CoP nanoparticles, the as‐fabricated CoP@PCM demonstrates superior electrocatalytic activity for HER, with overpotentials of 155 and 112 mV in 0.5 M H2SO4 and 1.0 M KOH, respectively, at a current density of 10 mA cm−2. In addition, CoP@PCM also exhibits good durability for HER at a high current density of ∼100 mA cm−2 in both solutions over 8 h of HER electrolysis, showing its great potential as a practical electrocatalyst for large‐scale electricity‐to‐fuel conversion.
Multiple Methane Activation Pathways on Ga‐modified ZSM‐5 Zeolites Revealed by Solid‐State NMR Spectroscopy
Authors: Zhao Xingling , Xu Jun , Chu Yueying , Qi Guodong , Wang Qiang , Gao Wei , Li Shenhui , Feng Ningdong , Deng Feng
Published: April 2020

Methane activation on Ga‐modified ZSM‐5 zeolites (Ga/ZSM‐5) was studied by solid‐state NMR spectroscopy. Two types of Ga species, namely highly dispersed oxides and cationic Ga species, were determined by 71Ga QCPMG NMR. The activation of methane on Ga/ZSM‐5 was explored by using 13C and 1H MAS NMR. Four types of Ga‐CH3 species along with Ga‐OH groups were observed on Ga/ZSM‐5, evidencing different pathways for heterolytic cleavage of C−H bond of methane. Two‐dimensional (2D) 1H‐1H correlation NMR experiments provide detailed information on the location and local environment of the Ga‐CH3 species by correlating the protons in Ga‐CH3 with those in Ga‐OH and other hydroxyls on zeolite. The structures of different Ga‐CH3 species were further determined by 2D 1H‐13C heteronuclear correlation NMR experiments, which were supported by theoretical calculations. The activation routes of C−H bond in methane were proposed on Ga/ZSM‐5 zeolite.
Nitrogen‐Immobilized, Ionic Liquid‐Derived, Nitrogen‐Doped, Activated Carbon for Supercapacitors
Authors: Kim Juyeon , Jeong Jun Hui , Ahn Hyo‐Jun , Lee Je Seung , Roh Kwang Chul
Published: April 2020

To synthesize nitrogen‐remained activated carbon (AC) following KOH activation, nitrile‐functionalized ionic liquid (IL) that immobilizes nitrogen atoms in the form of aromatic amines, such as graphitic, pyridinic, or pyrrolic nitrogen, was synthesized and used as a carbon precursor. Aromatic amines are more robust in adverse conditions than aliphatic amines. The nitrogen‐doped (N‐doped) AC was prepared by activating the carbon derived from the nitrile‐functionalized IL that acts as both a carbon precursor and a nitrogen‐doping source. The N‐doped AC had an optimized doped nitrogen and porous structure, and was prepared by controlling the activation conditions. The nitrogen residue in the N‐doped AC after KOH activation enhanced electrochemical properties of the N‐doped AC. Thus, it is important to use a carbon precursor that includes immobilized nitrogen to effectively prepare the AC after the KOH activation.
Library Design Strategies To Accelerate Fragment‐Based Drug Discovery
Authors: Troelsen Nikolaj S. , Clausen Mads H.
Published: April 2020

Fragment‐based drug discovery (FBDD) has become an established approach for the generation of early lead candidates. However, despite its success and inherent advantages, hit‐to‐candidate progression for FBDD is not necessarily faster than that of traditional high‐throughput screening. Thus, new technology‐driven library design strategies have emerged as a means to facilitate more efficient fragment screening and/or subsequent fragment‐to‐hit chemistry. This minireview discusses such strategies, which cover the use of labeled fragments for NMR spectroscopy, X‐ray crystallographic screening of specialized fragments, covalent linkage for mass spectrometry, dynamic combinatorial chemistry, and fragments optimized for easy elaboration.
New Visible‐Light‐Triggered Photocatalytic Trifluoromethylation Reactions of Carbon–Carbon Multiple Bonds and (Hetero)Aromatic Compounds
Authors: Barata‐Vallejo Sebastian , Postigo Al
Published: April 2020

Visible‐light‐photocatalyzed methods employed in synthetic transformations present attractive properties such as environmentally friendly, safety, availability and excellent functional group tolerance. In this regard, research on the visible‐light photocatalytic incorporation of the trifluoromethyl CF3 moiety into organic substrates, in particular, has contributed to a clear evolution of the field of photocatalysis. Although this particular area is constantly evolving and has been reviewed, the last five years have experienced an outburst of seminal and significant photocatalytic trifluoromethylation examples that are leading the way and opening new synthetic avenues. Recent review articles on Ru‐ and Ir‐based photocatalytic trifluoromethylation reactions have borne witness of this evolution. Although this account will show the new Ru‐ and Ir‐based photocatalytic trifluoromethylations, Sections 2 and 3 will also illustrate other photocatalytic systems, such as organic dyes, organic semiconductors and newly‐developed all‐organic photocatalysts. All the known and reviewed strategies for photocatalytic trifluoromethylation reactions of olefins and (hetero)aromatic compounds will not be discussed but will be summarized in two figures (Figures 4 and 5), and new examples (2015–present) will be presented and discussed.
A Designed Durable Electrolyte for High‐Voltage Lithium‐Ion Batteries and Mechanism Analysis
Authors: Zou Yeguo , Shen Yabin , Wu Yingqiang , Xue Hongjin , Guo Yingjun , Liu Gang , Wang Limin , Ming Jun
Published: April 2020

Rechargeable lithium‐ion batteries (LIBs) dominate the energy market, from electronic devices to electric vehicles, but pursuing greater energy density remains challenging owing to the limited electrode capacity. Although increasing the cut‐off voltage of LIBs (>4.4 V vs. Li/Li+) can enhance the energy density, the aggravated electrolyte decomposition always leads to a severe capacity fading and/or expiry of the battery. Herein, a new durable electrolyte is reported for high‐voltage LIBs. The designed electrolyte is composed of mixed linear alkyl carbonate solvent with certain cyclic carbonate additives, in which use of the ethylene carbonate (EC) co‐solvent was successfully avoided to suppress the electrolyte decomposition. As a result, an extremely high cycling stability, rate capability, and high‐temperature storage performance were demonstrated in the case of a graphite|LiNi0.6Co0.2Mn0.2O2(NCM622) battery at 4.45 V when this electrolyte was used. The good compatibility of the electrolyte with the graphite anode and the mitigated structural degradation of the NCM622 cathode are responsible for the high performance at high potentials above 4.4 V. This work presents a promising application of high‐voltage electrolytes for pursuing high energy LIBs and provides a straightforward guide to study the electrodes/electrolyte interface for higher stability.
Metal‐ and Reagent‐Free Electrochemical Synthesis of Alkyl Arylsulfonates in a Multi‐Component Reaction
Authors: Blum Stephan P. , Schollmeyer Dieter , Turks Maris , Waldvogel Siegfried R.
Published: April 2020

This work presents the first electrochemical preparation of alkyl arylsulfonates by direct anodic oxidation of electron‐rich arenes. The reaction mechanism features a multi‐component reaction consisting of electron‐rich arenes, an alcohol of choice and excess SO2 in an acetonitrile‐HFIP reaction mixture. In‐situ formed monoalkyl sulfites are considered as key intermediates with bifunctional purpose. Firstly, this species functions as nucleophile and secondly, excellent conductivity is provided. Several primary and secondary alcohols and electron‐rich arenes are implemented in this reaction to form the alkyl arylsulfonates in yields up to 73 % with exquisite selectivity. Boron‐doped diamond electrodes (BDD) are employed in divided cells, separated by a simple commercially available glass frit.
A Supramolecular Counter Circuit Based on Cyanine Dye Assembly
Authors: Chen Die , Wu Zhiming , Xu Xiaoping , Yang Shu
Published: April 2020

Molecular computation, a rapidly developing multidisciplinary research field, has attracted increasing attention. A series of combinational logic circuits at the molecular level have been constructed, however, the development of sequential logic circuits is still in its infancy due to the lack of ideal design tools. Taking advantage of unique assembly behaviors of cyanine dyes, we constructed a two‐bit molecular counter circuit that can implement fundamental sequential logic functions, including number cumulating and descending. Further introducing a guanine‐rich DNA strand as the cycle index, the counter can be reused several times and eventually be scaled up to count up to 16 numbers. The supramolecular circuit shows high programmability, flexibility, and reversibility, and it is prospected that the strategy would be applied in designing other advanced molecular circuits.
APEX Strategy Represented by Diels–Alder Cycloadditions—New Opportunities for the Syntheses of Functionalised PAHs
Authors: Kurpanik Aneta , Matussek Marek , Szafraniec‐Gorol Grażyna , Filapek Michał , Lodowski Piotr , Marcol‐Szumilas Beata , Ignasiak Witold , Małecki Jan Grzegorz , Machura Barbara , Małecka Magdalena , Danikiewicz Witold , Pawlus Sebastian , Krompiec Stanisław
Published: April 2020

Diels–Alder cycloaddition of various dienophiles to the bay region of polycyclic aromatic hydrocarbons (PAHs) is a particularly effective and useful tool for the modification of the structure of PAHs and thereby their final properties. The Diels–Alder cycloaddition belongs to the single‐step annulative π‐extension (APEX) reactions and represents the maximum in synthetic efficiency for the constructions of π‐extended PAHs including functionalised ones, nanographenes, and π‐extended fused heteroarenes. Herein we report new applications of the APEX strategy for the synthesis of derivatives of 1,2‐diarylbenzo[ghi]perylene, 1,2‐diarylbenzo[ghi]perylenebisimide and 1,2‐disubstituted‐benzo[j]coronene. Namely, the so far unknown cycloaddition of 1,2‐diarylacetylenes into the perylene and perylenebisimide bay regions was used. 1,2‐Disubstituted‐benzo[j]coronenes were obtained via cycloaddition of benzyne into 1,2‐diarylbenzo[ghi]perylenes by using a new highly effective system for benzyne generation and/or high pressure conditions. Moreover, we report an unprecedented Diels–Alder cycloaddition–cycloaromatisation domino‐type reaction between 1,4‐(9,9‐dialkylfluoren‐3‐yl)‐1,3‐butadiynes and perylene. The obtained diaryl‐substituted core‐extended PAHs were characterised by DFT calculation as well as electrochemical and spectroscopic measurements.
High‐risk and intermediate‐high–risk results from the ThyroSeq v2 and v3 thyroid genomic classifier are associated with neoplasia: Independent performance assessment at an academic institution
Authors: Jug Rachel , Foo Wen‐Chi , Jones Claudia , Ahmadi Sara , Jiang Xiaoyin “Sara”
Published: April 2020

Background

The ThyroSeq panel tests for genetic alterations to risk‐stratify cytologically indeterminate nodules. The authors assessed the test performance of the tests, including the latest version (v3), at an academic center.

Methods

Results from ThyroSeq testing (v2 and v3) were reviewed over 2 years, and patient demographics, cytology diagnoses, results of ThyroSeq testing, and histopathologic diagnoses on resection (if available) were collected.

Results

One hundred eighty‐five nodules were tested from 178 patients, including 94 nodules tested with v2 and 91 nodules tested with v3. Overall, 28 of 185 nodules (15%) yielded a high‐risk or intermediate‐high–risk mutation (HRM). Of the patients with these nodules, 19 of 25 (76%) had neoplastic nodules, and 11 of 25 (44%) had a malignancy or a noninvasive follicular thyroid neoplasm with papillary‐like nuclear features (NIFTP). Only 16 of 147 nodules (11%) that were negative or had low‐risk genetic alterations underwent resection, with 1 false‐negative result (a papillary thyroid carcinoma tested with v2). No false‐negative results were identified with v3. Two nodules had TP53 mutations identified, both of which were benign on resection. Nodules with HRM that were tested with v2 and v3 had a positive predictive value (PPV) for malignancy of 57% and 39%, respectively, and a PPV for neoplasm of 86% and 72%, respectively. The negative predictive values for v2 and v3 were 92% and 100%, respectively.

Conclusions

The PPV of an HRM result on ThyroSeq v3 was low for malignancy or NIFTP, and the PPV for neoplasm was higher. RAS‐type mutations were the most commonly identified in both benign and malignant nodules. Thyroseq v3 had a lower PPV for both malignancy/NIFTP and neoplasm than v2 but did not produce any false‐negative results.
The brain of Cataglyphis ants: Neuronal organization and visual projections
Authors: Habenstein Jens , Amini Emad , Grübel Kornelia , el Jundi Basil , Rössler Wolfgang
Published: April 2020

Cataglyphis ants are known for their outstanding navigational abilities. They return to their inconspicuous nest after far‐reaching foraging trips using path integration, and whenever available, learn and memorize visual features of panoramic sceneries. To achieve this, the ants combine directional visual information from celestial cues and panoramic scenes with distance information from an intrinsic odometer. The largely vision‐based navigation in Cataglyphis requires sophisticated neuronal networks to process the broad repertoire of visual stimuli. Although Cataglyphis ants have been subjected to many neuroethological studies, little is known about the general neuronal organization of their central brain and the visual pathways beyond major circuits. Here, we provide a comprehensive, three‐dimensional neuronal map of synapse‐rich neuropils in the brain of Cataglyphis nodus including major connecting fiber systems. In addition, we examined neuronal tracts underlying the processing of visual information in more detail. This study revealed a total of 33 brain neuropils and 30 neuronal fiber tracts including six distinct tracts between the optic lobes and the cerebrum. We also discuss the importance of comparative studies on insect brain architecture for a profound understanding of neuronal networks and their function.
A multimodal deep architecture for traditional Chinese medicine diagnosis
Authors: Dai Yinglong , Wang Guojun , Dai Jianhua , Geman Oana
Published: April 2020

Traditional Chinese medicine (TCM) is found on a long‐term medical practice in China. Rare human brains can fully grasp the deep TCM knowledge derived from a tremendous amount of experience. In this big data era, a big electronic brain might be competent via deep learning techniques. For this prospect, the electronic brain needs to process various heterogeneous data, such as images, texts, audio signals, and other sensory data. It used to be a challenge to analyze the heterogeneous data by the computer‐aided system until the advances of the powerful deep learning tools. We propose a multimodal deep learning framework to mimic a TCM practitioner to diagnose a patient on the basis of multimodal perceptions of see, listen, smell, ask, and touch. The framework learns common representations from various high‐dimensional sensory data, and fuse the information for final classification. We propose to use conceptual alignment deep neural networks to embed prior knowledge and obtain interpretable latent representations. We implement a multimodal deep architecture to process tongue image and description text data for TCM diagnosis. Experiments illustrate that the multimodal deep architecture can extract effective features from heterogeneous data, produce interpretable representations, and finally achieve a higher accuracy than either corresponding unimodal architectures.
Neutrophil gelatinase associated lipocalin a biomarker for bacterial‐induced pharyngeal infection—A pilot study
Authors: Walvik Lena , Kirchmann Malene , Jensen Claus Antonio Juel , Kristiansen Søren , Hansen Lennart Friis , Howitz Michael Frantz
Published: April 2020

Objectives

Neutrophil gelatinase associated lipocalin (NGAL) is secreted from activated neutrophil granulocytes and is considered an acute phase protein. The aim of this pilot study was to determine whether the NGAL concentration in saliva increases in response to a bacterial throat infection and identify pitfalls, which shall be taken into account in a protocol in a larger hypothesis testing study.

Methods

Saliva samples for measurement of NGAL concentration where obtained from cases with an acute throat infection (n= 21) and controls (n= 24). Among cases, plasma NGAL, plasma CRP, and whole blood leukocytes, were measured as well.

Results

There was no significant difference in NGAL saliva concentration between cases and controls overall (p= .31). For both cases and controls, the saliva NGAL concentration decreased significantly after cleansing the mouth with tap water (casesp= .01; controlsp= .01). Among cases, a significant positive correlation between saliva NGAL concentrations before mouth cleansing and plasma CRP concentrations (p= .001) was observed. Blood neutrophil granulocyte count presented a nonsignificant positive correlation to saliva NGAL (p= .07).

Conclusion

We could not demonstrate a simple association between the salivary NGAL concentration and pharyngeal bacterial infection. Furthermore, the salivary NGAL concentrations were higher among some controls than cases, suggesting that cofounders for example, periodontitis, uneven salivary dilution level, or other exogenous factors affect salivary NGAL content.
Type I interferon shapes the quantity and quality of the anti‐Zika virus antibody response
Authors: Lee Cheryl Yi‐Pin , Carissimo Guillaume , Chen Zheyuan , Lum Fok‐Moon , Abu Bakar Farhana , Rajarethinam Ravisankar , Teo Teck‐Hui , Torres‐Ruesta Anthony , Renia Laurent , Ng Lisa FP
Published: April 2020

Objectives

Zika virus (ZIKV) is a mosquito‐borne flavivirus that re‐emerged in 2015. The association between ZIKV and neurological complications initiated the development of relevant animal models to understand the mechanisms underlying ZIKV‐induced pathologies. Transient inhibition of the type I interferon (IFN) pathway through the use of an IFNAR1‐blocking antibody, MAR1‐5A3, could efficiently permit active virus replication in immunocompetent animals. Type I IFN signalling is involved in the regulation of humoral responses, and thus, it is crucial to investigate the potential effects of type I IFN blockade towards B‐cell responses.

Methods

In this study, comparative analysis was conducted using serum samples collected from ZIKV‐infected wild‐type (WT) animals either administered with or without MAR1‐5A3.

Results

Serological assays revealed a more robust ZIKV‐specific IgG response and subtype switching upon inhibition of type I IFN due to the abundance of antigen availability. This observation was corroborated by an increase in germinal centres, plasma cells and germinal centre B cells. Interestingly, although both groups of animals recognised different B‐cell linear epitopes in the E and NS1 regions, there was no difference in neutralising capacity. Further characterisation of these epitopes in the E protein revealed a detrimental role of antibodies that were generated in the absence of type I IFN.

Conclusion

This study highlights the role of type I IFN in shaping the anti‐ZIKV antibody response to generate beneficial antibodies and will help guide development of better vaccine candidates triggering efficient neutralising antibodies and avoiding detrimental ones.
Interference‐resilient spectrum sharing with collision detection and data recovery for cognitive radio networks
Authors: Javed Imran , Loan Asim , Mahmood Waqar
Published: April 2020

Data recovery under collision of primary/secondary users in cognitive radio networks is largely an unaddressed problem. Existing approaches require either (a) retransmissions, (b) interference‐free alignment of transmission parameters, or (c) prior knowledge for data recovery. In contrast to the existing approaches, the paper proposes estimation of channel state information based on received collided frames and recommends techniques for spectrum sharing, collision detection, and data recovery. Specifically, based on estimated channel vector, interference‐resilient spectrum‐sharing protocol and techniques are proposed for (a) identification of primary user (PU) activity before (or during) secondary user's (SU's) transmission, (b) MIMO channel estimation under collision, (c) optimal pilot permutation, and (d) interference cancellation (with/without receiver diversity). Results are reported for different baseband modulation techniques under frequency selective/flat fading channel scenarios that demonstrate the efficacy of a proposed work.
A wrapper‐based feature selection for improving performance of intrusion detection systems
Authors: Samadi Bonab Maryam , Ghaffari Ali , Soleimanian Gharehchopogh Farhad , Alemi Payam
Published: April 2020

Along with expansion in using of Internet and computer networks, the privacy, integrity, and access to digital resources have been faced with permanent risks. Due to the unpredictable behavior of network, the nonlinear nature of intrusion attempts, and the vast number of features in the problem environment, intrusion detection system (IDS) is regarded as the main problem in the security of computer networks. A feature selection technique helps to reduce complexity in terms of both the executive load and the storage by selecting the optimal subset of features. The purpose of this study is to identify important and key features in building an IDS. To improve the performance of IDS, this paper proposes an IDS that its features are optimally selected using a new hybrid method based on fruit fly algorithm (FFA) and ant lion optimizer (ALO) algorithm. The simulation results on the dataset KDD Cup99, NSL‐KDD, and UNSW‐NB15 have shown that the FFA–ALO has an acceptable performance according to the evaluation criteria such as accuracy and sensitivity than previous approaches.
Keep your community safe while COVID‐19 spreads globally
Authors: Sutton Halley
Published: April 2020

The spread of COVID‐19 globally has caused a high rate of sickness, death, and uncertainty, leading many U.S. colleges and universities to move instruction online for the time being and possibly through the end of the academic year and maybe beyond. When the global pandemic hit the United States, institutions struggled to quickly make decisions about how to deal with international students on campus, as well as how and when to pull American students studying abroad out of programs and bring them back to campus, without potentially spreading the disease through a healthy student population — and with how best to monitor and advise students in the wake of a global emergency.
Cytohistological correlation in serous effusions using the newly proposed International System for Reporting Serous Fluid Cytopathology: Experience of an oncological center
Authors: Lobo Cláudia , Costa João , Petronilho Sara , Monteiro Paula , Leça Luís , Schmitt Fernando
Published: April 2020

Background

Cytological analysis is part of the initial etiological evaluation of serous effusions. The newly proposed International System for Reporting Serous Fluid Cytopathology (ISRSFC) aims to standardize reporting.

Methods

All pleural and peritoneal effusion samples admitted for cytological analysis at our institution between 2012 and 2016, and pericardial effusion samples admitted between 2008 and 2018, were reviewed and reclassified according to the ISRSFC. Risk of malignancy (ROM) and performance parameters were calculated.

Results

1496 pleural effusion samples were reclassified: 12(0.8%) non‐diagnostic (ND), 944(63.1%) negative for malignancy (NFM), 9(0.6%) atypia of undetermined significance (AUS), 54(3.6%) suspicious of malignancy (SFM) and 477(31.9%) malignant (M). 64 pericardial effusion samples were reclassified: 23(35.9%) NFM, 1(1.6%) AUS, 4(6.3%) SFM and 36(56.2%) M. 763 peritoneal effusion samples were reclassified: 5(0.7%) ND, 457(59.9%) NFM, 12(1.6%) AUS, 37(4.8%) SFM and 252(33%) M. The ROM was, respectively, for each of the aforementioned categories, 57.1%, 23.9%, 50%, 76.2%, 100% in pleural effusions, 100%, 26.3%, 62.5%, 91.7%, 100% in peritoneal effusions and 0% for NFM, 0% for AUS and 100% for M in pericardial effusions. Sensitivity, specificity, positive predictive value, negative predictive value and diagnostic accuracy were, respectively, 61.6%, 100%, 100%, 73.3%, 81.3% for pleural, 100%, 100%, 100%, 100%, 100% for pericardial and 61.2%, 100%, 100%, 70%, 79.7% for peritoneal effusion samples.

Conclusion

Serous effusion cytology has a high specificity and positive predictive value and a modest sensitivity and negative predictive value, supporting its role in confirming the diagnosis of malignancy. The ISRSFC will increase standardization and reproducibility in reporting, leading to improved clinical decision‐making.
Impact of field‐realistic doses of glyphosate and nutritional stress on mosquito life history traits and susceptibility to malaria parasite infection
Authors: Bataillard Danaé , Christe Philippe , Pigeault Romain
Published: April 2020

Glyphosate is the world's most widely used herbicide. The commercial success of this molecule is due to its nonselectivity and its action, which would supposedly target specific biosynthetic pathways found mainly in plants. Multiple studies have however provided evidence for high sensitivity of many nontarget species to glyphosate and/or to formulations (glyphosate mixed with surfactants). This herbicide, found at significant levels in aquatic systems through surface runoffs, impacts life history traits and immune parameters of several aquatic invertebrates' species, including disease‐vector mosquitoes. Mosquitoes, from hatching to emergence, are exposed to aquatic chemical contaminants. In this study, we first compared the toxicity of pure glyphosate to the toxicity of glyphosate‐based formulations for the main vector of avian malaria in Europe, Culex pipiens mosquito. Then we evaluated, for the first time, how field‐realistic dose of glyphosate interacts with larval nutritional stress to alter mosquito life history traits and susceptibility to avian malaria parasite infection. Our results show that exposure of larvae to field‐realistic doses of glyphosate, pure or in formulation, did not affect larval survival rate, adult size, and female fecundity. One of our two experimental blocks showed, however, that exposure to glyphosate decreased development time and reduced mosquito infection probability by malaria parasite. Interestingly, the effect on malaria infection was lost when the larvae were also subjected to a nutritional stress, probably due to a lower ingestion of glyphosate.
Characterizing the floral resources of a North American metropolis using a honey bee foraging assay
Authors: Sponsler Douglas B. , Shump Don , Richardson Rodney T. , Grozinger Christina M.
Published: April 2020

Roughly a third of described insect species visit flowers, making the flower–insect interface one of the chief pillars of global biodiversity. Studying flower–insect relationships at the scale of communities and landscapes has been hindered, however, by the methodological challenges of quantifying landscape‐scale floral resources. This challenge is especially acute in urban landscapes, where traditional floral surveying techniques are ill‐suited to the unique constraints of built environments. To surmount these challenges, we devised a “honey bee foraging assay” approach to floral resource surveying, wherein continuous colony weight tracking and DNA metabarcoding of pollen samples are used to capture both the overall availability and taxonomic composition of floral resources. We deploy this methodology in the complex urban ecosystem of Philadelphia, Pennsylvania, USA. Our results reveal distinct seasonality of floral resource availability, with pulses of high availability in May, June, and September, and a period of prolonged scarcity in August. Pollen genus richness mirrored this pattern, with peak richness in May and June. The taxonomic composition of pollen samples varied seasonally, reflecting underlying floral phenology, with especially strong turnover between May and June samples and between August and September samples delineating well‐defined spring, summer, and fall floral resource communities. Trait analysis also revealed seasonal structure, with spring samples characterized by trees and shrubs, summer samples including a stronger presence of herbaceous “weeds”, and fall samples dominated by woody vines. Native flora predominated in spring, giving way to a preponderance of exotic flora in summer and fall. At a basic level, this yields insight into the assembly of novel urban floral resource communities, showcasing, for example, the emergence of a woody vine‐dominated fall flora. At an applied level, our data can inform urban land management, such as the design of ecologically functional ornamental plantings, while also providing practical guidance to beekeepers seeking to adapt their management activities to floral resource seasonality. Methodologically, our study demonstrates the potential of the honey bee foraging assay as a powerful technique for landscape‐scale floral resource surveying, provided the inherent biases of honey bee foraging are accounted for in the interpretation of the results.