bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tunable Fano‐Resonant Metasurfaces on a Disposable Plastic‐Template for Multimodal and Multiplex Biosensing
Authors: Ahmed Rajib , Ozen Mehmet Ozgun , Karaaslan Merve Goksin , Prator Cecilia A. , Thanh Cassandra , Kumar Shreya , Torres Leonel , Iyer Nikita , Munter Sadie , Southern Sarka , Henrich Timothy J. , Inci Fatih , Demirci Utkan 
Published: March 2020

AbstractMetasurfaces are engineered nanostructured interfaces that extend the photonic behavior of natural materials, and they spur many breakthroughs in multiple fields, including quantum optics, optoelectronics, and biosensing. Recent advances in metasurface nanofabrication enable precise manipulation of light–matter interactions at subwavelength scales. However, current fabrication methods are costly and time‐consuming and have a small active area with low reproducibility due to limitations in lithography, where sensing nanosized rare biotargets requires a wide active surface area for efficient binding and detection. Here, a plastic‐templated tunable metasurface with a large active area and periodic metal–dielectric layers to excite plasmonic Fano resonance transitions providing multimodal and multiplex sensing of small biotargets, such as proteins and viruses, is introduced. The tunable Fano resonance feature of the metasurface is enabled via chemical etching steps to manage nanoperiodicity of the plastic template decorated with plasmonic layers and surrounding dielectric medium. This metasurface integrated with microfluidics further enhances the light–matter interactions over a wide sensing area, extending data collection from 3D to 4D by tracking real‐time biomolecular binding events. Overall, this work resolves cost‐ and complexity‐related large‐scale fabrication challenges and improves multilayer sensitivity of detection in biosensing applications.
Fano Resonance in Artificial Photonic Molecules
Authors: Cao Guangtao , Dong Shaohua , Zhou Lei‐Ming , Zhang Qing , Deng Yan , Wang Cong , Zhang Han , Chen Yang , Qiu Cheng‐Wei , Liu Xinke 
Published: March 2020

AbstractThe spectral signatures of chemical molecules are dependent on the hybridization of electronic states. The artificial photonic molecules formed by structured optical microcavities, exhibiting Fano features with sharp asymmetric line shape and strong field enhancement, hold various potential applications in sensors, optical switches, lasing spasers, optical diodes, etc. To design high‐performance photonic devices, it is of great importance to gain the formation and modulation mechanisms of Fano resonance in various artificial photonic molecules. This review is focused on the Fano resonance in artificial photonic molecules. It starts by discussing the properties of Fano resonance, followed by a detailed discussion of the coupled oscillator model and coupled mode theory that could reveal the underlying mechanisms. Then, different types of photonic molecules for realizing Fano resonance are presented, and several representative exciting applications are introduced. Finally, a summary and a brief outlook on challenges are discussed for Fano resonance in artificial photonic molecules.
A Cleavage‐Modification‐Reassembly Process Catalyzed by Rhodium and Brønsted Acid for the Synthesis of Multi‐Substituted Anilines
Authors: Liu Xiangrong , Xiao Guolan , Xu Xinfang , Kang Zhenghui , Zhang Dan , Hu Wenhao 
Published: March 2020

AbstractA synergistic rhodium‐ and Brønsted acid‐ catalyzed reaction of quinone imine ketals with diazo compounds to access multi‐substituted anilines is presented here. This reaction takes place through a process involving C−O bond cleavage, modification of the leaving alcoholic fragment, and selective reassembly of the reactive fragments. Moderate enantioselectivities are achieved when a chiral 1,1’‐bi(2‐naphthol)‐based phosphoric acid is used.magnified image
Hybrid Perovskite‐Organic Flexible Tandem Solar Cell Enabling Highly Efficient Electrocatalysis Overall Water Splitting
Authors: Li Zhen , Wu Shengfan , Zhang Jie , Lee Ka Chun , Lei Hang , Lin Francis , Wang Zilong , Zhu Zonglong , Jen Alex K. Y. 
Published: March 2020

AbstractPerovskite‐organic tandem solar cells are attracting more attention due to their potential for highly efficient and flexible photovoltaic device. In this work, efficient perovskite‐organic monolithic tandem solar cells integrating the wide bandgap perovskite (1.74 eV) and low bandgap organic active PBDB‐T:SN6IC‐4F (1.30 eV) layer, which serve as the top and bottom subcell, respectively, are developed. The resulting perovskite‐organic tandem solar cells with passivated wide‐bandgap perovskite show a remarkable power conversion efficiency (PCE) of 15.13%, with an open‐circuit voltage (Voc) of 1.85 V, a short‐circuit photocurrent (Jsc) of 11.52 mA cm−2, and a fill factor (FF) of 70.98%. Thanks to the advantages of low temperature fabrication processes and the flexibility properties of the device, a flexible tandem solar cell which obtain a PCE of 13.61%, with Voc of 1.80 V, Jsc of 11.07 mA cm−2, and FF of 68.31% is fabricated. Moreover, to demonstrate the achieved high Voc in the tandem solar cells for potential applications, a photovoltaic (PV)‐driven electrolysis system combing the tandem solar cell and water splitting electrocatalysis is assembled. The integrated device demonstrates a solar‐to‐hydrogen efficiency of 12.30% and 11.21% for rigid, and flexible perovskite‐organic tandem solar cell based PV‐driven electrolysis systems, respectively.
Piezoelectric Energy Harvesting from a Ferroelectric Hybrid Salt [Ph3MeP]4[Ni(NCS)6] Embedded in a Polymer Matrix
Authors: Vijayakanth Thangavel , Ram Farsa , Praveenkumar Balu , Shanmuganathan Kadhiravan , Boomishankar Ramamoorthy 
Published: March 2020

AbstractOrganic–inorganic hybrid ferroelectrics are an exciting class of molecular materials with promising applications in the area of energy and electronics. The synthesis, ferroelectric and piezoelectric energy harvesting behavior of a 3d metal ion‐containing A4BX6 type organic–inorganic hybrid salt [Ph3MeP]4[Ni(NCS)6] (1) is now presented. P‐E hysteresis loop studies on 1 show a remnant ferroelectric polarization value of 18.71 μC cm−2, at room temperature. Composite thermoplastic polyurethane (TPU) devices with 5, 10, 15 and 20 wt % compositions of 1 were prepared and employed for piezoelectric energy harvesting studies. A maximum output voltage of 19.29 V and a calculated power density value of 2.51 mW cm−3 were observed for the 15 wt % 1‐TPU device. The capacitor charging experiments on the 15 wt % 1‐TPU composite device shows an excellent energy storage performance with the highest stored energies and measured charges of 198.8 μJ and 600 μC, respectively.
Tunable Electrochemical C−N versus N−N Bond Formation of Nitrogen‐Centered Radicals Enabled by Dehydrogenative Dearomatization: Biological Applications
Authors: Lv Shide , Han Xiaoxin , Wang Jian‐Yong , Zhou Mingyang , Wu Yanwei , Ma Li , Niu Liwei , Gao Wei , Zhou Jianhua , Hu Wei , Cui Yuezhi , Chen Jianbin 
Published: March 2020

AbstractHerein, an environmentally friendly electrochemical approach is reported that takes advantage of the captodative effect and delocalization effect to generate nitrogen‐centered radicals (NCRs). By changing the reaction parameters of the electrode material and feedstock solubility, dearomatization enabled a selective dehydrogenative C−N versus N−N bond formation reaction. Hence, pyrido[1,2‐a]benzimidazole and tetraarylhydrazine frameworks were prepared through a sustainable transition‐metal‐ and exogenous oxidant‐free strategy with broad generality. Bioactivity assays demonstrated that pyrido[1,2‐a]benzimidazoles displayed antimicrobial activity and cytotoxicity against human cancer cells. Compound 21 exhibited good photochemical properties with a large Stokes shift (approximately 130 nm) and was successfully applied to subcellular imaging. A preliminary mechanism investigation and density functional theory (DFT) calculations revealed the possible reaction pathway.
Single‐Molecule Study of a Plasmon‐Induced Reaction for a Strongly Chemisorbed Molecule
Authors: Kazuma Emiko , Lee Minhui , Jung Jaehoon , Trenary Michael , Kim Yousoo 
Published: March 2020

AbstractChemical reactions induced by plasmons achieve effective solar‐to‐chemical energy conversion. However, the mechanism of these reactions, which generate a strong electric field, hot carriers, and heat through the excitation and decay processes, is still controversial. In addition, it is not fully understood which factor governs the mechanism. To obtain mechanistic knowledge, we investigated the plasmon‐induced dissociation of a single‐molecule strongly chemisorbed on a metal surface, two O2 species chemisorbed on Ag(110) with different orientations and electronic structures, using a scanning tunneling microscope (STM) combined with light irradiation at 5 K. A combination of quantitative analysis by the STM and density functional theory calculations revealed that the hot carriers are transferred to the antibonding (π*) orbitals of O2 strongly hybridized with the metal states and that the dominant pathway and reaction yield are determined by the electronic structures formed by the molecule–metal chemical interaction.
Gold‐Catalyzed 1,2‐Diarylation of Alkenes
Authors: Chintawar Chetan C. , Yadav Amit K. , Patil Nitin T. 
Published: March 2020

AbstractHerein, we disclose the gold‐catalyzed 1,2‐diarylation of alkenes through the interplay of ligand‐enabled AuI/AuIII catalysis with the idiosyncratic π‐activation mode of gold complexes. Unlike the classical migratory‐insertion‐based approach to 1,2‐diarylation, the present approach not only circumvents the formation of direct Ar−Ar′ coupling and Heck‐type side products but more intriguingly demonstrates reactivity and selectivity complementary to those of previously known metal catalysis (Pd, Ni, or Cu). Detailed investigations to underpin the mechanistic scenario revealed oxidative addition of aryl iodides to an AuI complex to be the rate‐limiting step owing to the non‐innocent nature of the aryl alkene.
A Biomimetic Nanoparticle to “Lure and Kill” Phospholipase A2
Authors: Zhang Qiangzhe , Fang Ronnie H. , Gao Weiwei , Zhang Liangfang 
Published: March 2020

AbstractInhibition of phospholipase A2 (PLA2) has long been considered for treating various diseases associated with an elevated PLA2 activity. However, safe and effective PLA2 inhibitors remain unavailable. Herein, we report a biomimetic nanoparticle design that enables a “lure and kill” mechanism designed for PLA2 inhibition (denoted “L&K‐NP”). The L&K‐NPs are made of polymeric cores wrapped with modified red blood cell membrane with two inserted key components: melittin and oleyloxyethyl phosphorylcholine (OOPC). Melittin acts as a PLA2 attractant that works together with the membrane lipids to “lure” in‐coming PLA2 for attack. Meanwhile, OOPC acts as inhibitor that “kills” PLA2 upon enzymatic attack. Both compounds are integrated into the L&K‐NP structure, which voids toxicity associated with free molecules. In the study, L&K‐NPs effectively inhibit PLA2‐induced hemolysis. In mice administered with a lethal dose of venomous PLA2, L&K‐NPs also inhibit hemolysis and confer a significant survival benefit. Furthermore, L&K‐NPs show no obvious toxicity in mice. and the design provides a platform technology for a safe and effective anti‐PLA2 approach.
Enantioselective Synthesis of Atropisomers with Multiple Stereogenic Axes
Authors: Bao Xiaoze , Rodriguez Jean , Bonne Damien 
Published: March 2020

AbstractAtropisomers possessing multiple stereogenic axes are intriguing molecules with huge potential. However, only few approaches for their enantioselective synthesis are available due to the difficulties in assembling various stereogenic axes with high enantiocontrol. Only recently, innovative methods have emerged, opening new possibilities for the synthesis of this original class of atropisomeric compounds. This Minireview describes the development of this field based on a classification of the multi‐axis systems according to the distance between the stereogenic axes and the strategy used to build them.
Carbon nanoparticles/polyvinyl alcohol composites with enhanced optical, thermal, mechanical, and flame‐retardant properties
Authors: Zahid Muhammad , Ali Salman , Saleem Sumaiya , Salman Muhammad , Khan Majid 
Published: March 2020

AbstractIn this work, polyvinyl alcohol (PVA) is chemically bonded to carbon nanoparticles (CNPs) by a very simple and versatile solution casting method. Five different kinds of CNPs/PVA composite films were prepared; 0.5, 1.0, 1.5, 2.0, and 3.0 wt% CNPs dispersed in PVA. The as‐prepared samples were characterized using various characterization techniques. The resulting nanocomposites proved to possess homogeneity and better mechanical, thermal, optical, and flame‐retardant properties than pure PVA. Most of the CNPs with average particle size ≤100 nm were homogeneously dispersed in the PVA matrix showing fluorescence in the violet color zone. The crystallinity of the nanocomposites show a decline in the diffraction intensity as compared to pure PVA which results from the dwelling of CNPs inside the gaps of stacked‐layer chains of PVA. The mechanical properties of nanocomposites indicated enhancement in toughness, elastic modulus and tensile strength with an increase in CNPs contents. The assessment for flame‐retardant properties was carried out through cone calorimetry. The results show a decrease in both total heat release rate (THRR) and peak heat release rate (pHRR) of the resulting nanocomposites as compared to pure PVA. The superior properties of the CNPs/PVA composites stemmed from the good interfacial bonding between the CNPs and PVA matrix.
Triple‐functional riboflavin‐based molecule for efficient atom transfer radical polymerization in miniemulsion media
Authors: Zaborniak Izabela , Surmacz Karolina , Flejszar Monika , Chmielarz Paweł 
Published: March 2020

AbstractTriple‐functional riboflavin‐based macromolecule was synthesized providing an efficient activator regeneration by electron transfer atom transfer radical polymerization of butyl acrylate in a miniemulsion media in a fully oxygen tolerant environment. For the first time, the riboflavin‐inspired supramolecular structure fulfilled three primarily roles, acting simultaneously as (a) an initiator due to incorporation of bromine molecules in a ribitol tail by esterification reaction of riboflavin with α‐bromoisobutyryl bromide; (b) a reducing agent caused by the preservation of redox functionality of isoalloxazine ring in this structure; (c) and enables polymerization in air conditions. Electrochemical characterization of the riboflavin‐based molecule was conducted by a series of cyclic voltammetry measurements, determining an activation rate constant (ka = [1.34 ± 0.58] × 103 M−1 s−1) reflecting a reduction of the copper(II) catalytic complex in the presence of the multifunctional initiator. Proposed reaction system allowed to maintain control during polymerization proved by linear kinetics and a clear shift in molecular weights, resulting in the preparation of polymer brushes with narrow molecular weight distribution (Mw/Mn = 1.39) with high initiation efficiency (ƒi = 72%).
The predictability limit of the amplitude and phase of the Madden‐Julian oscillation
Authors: Lu Deyu , Ding Ruiqiang , Li Jianping 
Published: March 2020

AbstractThe Madden–Julian Oscillation (MJO) is characterized by slowly eastward‐propagating precipitation and circulation anomalies with time scales of about 30–80 days. Both the phase and amplitude of the MJO fluctuate with time as it propagates eastward. Despite recent progress in understanding the predictability limit of the MJO as a whole, little is known of the difference in the predictability limits of its amplitude and phase. This paper investigates these differences using the nonlinear local Lyapunov exponent approach, which provides an estimate of atmospheric predictability based on observational data. The predictability limit of the phase of the MJO is determined as ~32 days, which is higher than that of its amplitude (about 16 days). In state‐of‐the‐art operational forecast models, the phase of the MJO is also found to have a much better forecast skill than does its amplitude. The relatively low limit of the predictability of the amplitude will pose a challenge to MJO prediction.
The response of yeast vacuolar proteins: A novel rapid tool for Salmonella sp. screening
Authors: Nguyen Ngoc‐Tu , Lee Jaewoong , Woo Sung Min , Kim Yang‐Hoon , Min Jiho 
Published: March 2020

AbstractHuman health is recently affected by several factors in which food contamination is one of the most dangerous elements that damage directly on our bodies. In this study, we provided a novel approach for the rapid detection of Salmonella sp. at the molecular level using the response of Saccharomyces cerevisiae’s vacuoles. First, an augmentation of vacuoles intensity was observed by confocal microscopy after treating Salmonella strains with yeast cells. Second, the vacuolar enzymes were isolated and then analyzed by two‐dimensional electrophoresis for the screening of specific biomarkers. After that, various recombinant yeasts containing exclusive biomarkers were constructed by fusing these biomarkers with several fluorescent proteins. Finally, the recombinant strains showed the ability to detect Salmonella strains specifically by appropriate fluorescent signals from 20 CFU/mL after 15 Min of exposure.
Automatic variable selection for exposure‐driven propensity score matching with unmeasured confounders
Authors: Zöller Daniela , Wockner Leesa F. , Binder Harald 
Published: March 2020

AbstractMultivariable model building for propensity score modeling approaches is challenging. A common propensity score approach is exposure‐driven propensity score matching, where the best model selection strategy is still unclear. In particular, the situation may require variable selection, while it is still unclear if variables included in the propensity score should be associated with the exposure and the outcome, with either the exposure or the outcome, with at least the exposure or with at least the outcome. Unmeasured confounders, complex correlation structures, and non‐normal covariate distributions further complicate matters. We consider the performance of different modeling strategies in a simulation design with a complex but realistic structure and effects on a binary outcome. We compare the strategies in terms of bias and variance in estimated marginal exposure effects. Considering the bias in estimated marginal exposure effects, the most reliable results for estimating the propensity score are obtained by selecting variables related to the exposure. On average this results in the least bias and does not greatly increase variances. Although our results cannot be generalized, this provides a counterexample to existing recommendations in the literature based on simple simulation settings. This highlights that recommendations obtained in simple simulation settings cannot always be generalized to more complex, but realistic settings and that more complex simulation studies are needed.
Developing and applying computational resources for biochemistry education
Authors: Craig Paul A. 
Published: March 2020

AbstractBiochemistry is about structure and function, but it is also about data and this is where computers come in. From my time as a graduate student and post doc, whenever I encountered data I thought, “I can work this up by hand, but I think a computer could do a better job.” Since that time, I have been working at the interface of biochemistry and computers, by attracting talented students and collaborating with colleagues with complementary skills. This has resulted in several exciting projects: a simulation of 2D electrophoresis and tandem mass spectrometry, the human visualization project, and two different programs that enable biochemists to search protein structures for enzyme active sites: ProMOL (promol.org) and Moltimate (moltimate.appspot.com). The human side of software development for education involved finding the right students and colleagues, communicating effectively across disciplines, building and managing effective teams and the importance of serendipity throughout the process.
Identification of prototypes from Ligustri Lucidi Fructus in rat plasma based on a data‐dependent acquisition and multicomponent pharmacokinetic study
Authors: Wang Yucheng , Feng Keyu , Li Mengrong , Han Lifeng , Wang Weiqiang , Si Dandan , Chen Xiaopeng , Yang Wenzhi , Gao Xiumei , Liu Erwei 
Published: March 2020

AbstractThe identification and quantization of traditional Chinese medicine (TCM) are a challenge for researchers and industry. Using untargeted analytical methods, the in vivo detection and identification of TCM compounds are difficult because of the significant interference of endogenous substances. Fortunately, the ongoing development of new analytical technologies, especially Q‐Orbitrap–MS, offers some solutions. Our team developed a holistic MS method, combining untargeted data‐dependent MS2 (dd‐MS2) modes to extensively identify TCM prototypes in vivo. The method was successfully applied to the analysis of Ligustri Lucidi Fructus (LLF). LLF is a widely used TCM with a remarkable nourishing effect on the liver and kidney. In the study, we aimed to identify the prototypes in rat plasma after oral administration of LLF extract. Following separation on an HSS T3 column, LLF extract and rat plasma were performed in untargeted dd‐MS2 mode. Forty‐seven compounds were characterized in rats plasma as prototypes of LLF extract. Furthermore, seven major prototypes were chosen as pharmacokinetic markers to investigate LLF's pharmacokinetic properties. The results provides comprehensive determination of compounds in LLF both in vitro and in vivo, which is important for quality control, pharmacology studies and clinical use of LLF.
Distribution of Nitrogen‐Fixation Genes in Prokaryotes Containing Alternative Nitrogenases
Authors: Addo Maame A. , Dos Santos Patricia C. 
Published: March 2020

AbstractBiological nitrogen fixation is an inherent trait exclusive to a select number of prokaryotes. Although molybdenum nitrogenase is the dominant catalyst for dinitrogen reduction, some diazotrophs also contain one or two additional types of nitrogenase that use alternative metal content as the active‐site cofactor. The occurrence of alternative nitrogenases has not been well studied due to the discriminatory expression of the molybdenum nitrogenase and lack of comprehensive genomic data. This study reports on the genomic analysis of 87 unique species containing alternative nitrogenase sequences. The distribution of nitrogen‐fixing genes within these species from distinct taxonomic groups shows the presence of the minimum gene set required for nitrogen fixation, including catalytic and biosynthetic enzymes of the Mo‐dependent system (NifHDKENB) and the varying occurrence of additional Nif‐dedicated components. These include NifS and NifU, found primarily in aerobic species, thus suggesting that these genes are necessary to accommodate the high demand for Fe−S clusters during aerobic nitrogen fixation.