bluuebunny/crossref_metadata_2025_split huggingface dataset:
Toward Higher Voltage Solid‐State Batteries by Metastability and Kinetic Stability Design
Authors: Ye Luhan , Fitzhugh William , Gil‐González Eva , Wang Yichao , Su Yibo , Su Haoqing , Qiao Tianyu , Ma Lu , Zhou Hua , Hu Enyuan , Li Xin 
Published: July 2020

AbstractThe energy density of battery systems is limited largely by the electrochemical window of the electrolyte. Herein, the combined thermodynamic and kinetic effects of mechanically induced metastability are shown to greatly widen the operational voltage window of solid‐state batteries based on ceramic‐sulfide electrolytes. Solid electrolyte voltage stability up to 10 V is achieved with minimal degradation, far beyond the capability of organic liquid electrolytes. Furthermore, combined experiment, ab initio computation, and theoretical modeling identify the nature of mechanically constrained Li10GeP2S12 decomposition both within the bulk and at interfaces with cathode materials at very high voltages. Previously unclear kinetic processes are identified that, when properly implemented, can potentially allow solid‐state full cells with remarkably high operational voltages.
A Fluorination Method for Improving Cation‐Disordered Rocksalt Cathode Performance
Authors: Ahn Juhyeon , Chen Dongchang , Chen Guoying 
Published: July 2020

AbstractIn Li‐rich cation‐disordered rocksalt oxide cathodes (DRX), partial fluorine substitution in the oxygen anion sublattice can increase the capacity contribution from transition‐metal (TM) redox while reducing that from the less reversible oxygen redox. To date, limited fluorination substitution has been achieved by introducing LiF precursor during the solid‐state synthesis. To take full advantage of the fluorination effect, however, a higher F content is desired. In the present study, the successful use of a fluorinated polymeric precursor is reported to increase the F solubility in DRX and the incorporation of F content up to 10–12.5 at% into the rocksalt lattice of a model Li‐Mn‐Nb‐O (LMNO) system, largely exceeding the 7.5 at% limit achieved with LiF synthesis. Higher F content in the fluorinated‐DRX (F‐DRX) significantly improves electrochemical performance, with a reversible discharge capacity of ≈255 mAh g−1 achieved at 10 at% of F substitution. After 30 cycles, up to a 40% increase in capacity retention is achieved through the fluorination. The study demonstrates the feasibility of using a new and effective fluorination process to synthesize advanced DRX cathode materials.
Analysis of Thoroughbred horse farm workers’ compensation insurance claims in Kentucky: Injury frequency, cost, lost time, and associated occupational factors
Authors: Flunker John C. , Clouser Jessica Miller , Swanberg Jennifer E. 
Published: July 2020

AbstractBackgroundThoroughbred horse farm workers self‐report a high frequency of work‐related injuries and pain. However, an analysis of Thoroughbred horse farm workers’ compensation injury claims is absent from the literature, yet may benefit worker safety.MethodsWe analyzed workers’ compensation insurance firm data containing 2276 claims filed between 2008 and 2015. Injury frequency, cost, and lost time per cause, nature, and body part injured were examined qualitatively and via univariate tests. Factors associated with high cost and high duration lost time claims were modeled via multivariable logistic regression.ResultsThe average Thoroughbred worker claim cost $4,198 and accrued 10 days lost time, involving strikes (57% of total claims), sprains/strains (34%), and wrist/hand injuries (18%). Injuries primarily occurred on mornings (54%), weekdays (79%), and during the transition from breeding to sales (23%). Jobs with a high level of horse contact had significantly higher cost ($6,487) and higher duration lost time (16.8 days) claims, with significantly higher cost claims on the weekends ($6,471) and from the oldest workers ($7466), vs reference groups. Logistic models indicate significantly increased odds of a high‐cost injury among high horse contact jobs (OR = 1.87; 95% C.I. = 1.53‐2.29) and older age tertiles (1.38; 1.08‐1.75; 1.70, 1.32‐2.18). The odds of a high duration lost time injury are significantly increased among high horse contact jobs (1.91; 1.53‐2.39) and males (1.50, 1.13‐1.98), with significantly reduced odds among the most tenured workers (0.74; 0.56‐0.99).ConclusionsOur findings elucidate factors to reduce injury frequency, cost, and lost time among Thoroughbred horse farm workers.
Stereoselective Seed‐Induced Living Supramolecular Polymerization
Authors: Sarkar Souvik , Sarkar Aritra , George Subi J. 
Published: July 2020

AbstractStereoselective and temporally controlled supramolecular polymerizations are ubiquitous in nature and are desirable attributes for the design of chiral, well‐defined functional materials. Kinetically controlled, living supramolecular polymerization (LSP) has emerged recently for the synthesis of supramolecular polymers with controlled length and narrow dispersity. On the other hand, stringent design requirements for chiral‐discriminating monomers precludes the stereoselective control of the supramolecular polymer structure. Herein, a synergetic stereo‐ and structural control of supramolecular polymerization by the realization of an unprecedented stereoselective seed‐induced LSP is reported. Homochiral and seeded growth is demonstrated with bischromophoric naphthalene diimide (NDI) enantiomers with a chiral binaphthyl amine core, exhibiting strong self‐recognition abilities and pathway complexity.
A Chiral‐Label‐Free SERS Strategy for the Synchronous Chiral Discrimination and Identification of Small Aromatic Molecules
Authors: Wang Yue , Zhao Xueqi , Yu Zhi , Xu Zhangrun , Zhao Bing , Ozaki Yukihiro 
Published: July 2020

AbstractA versatile and robust chiral discrimination strategy for small aromatic compounds is of significant importance in multidisciplinary fields. However, most current methods lack either the sufficient sensitivity for recognizing the chirality of the target molecules or their molecular specificity information. We have developed a versatile and chiral‐label‐free surface‐enhanced Raman scattering (SERS)‐based chiral discrimination sensing system for small aromatic molecules, where the molecular structural specificity and enantioselectivity can be given synchronously in a single SERS spectrum. More than 10 types of chiral aromatic molecules were successfully identified by using this system. This work has enormous potential for recognizing chiral products effectively in sophisticated systems, especially in the fields of chiral synthesis and chiral catalysis.
Amplified FRET Nanoflares: An Endogenous mRNA‐Powered Nanomachine for Intracellular MicroRNA Imaging
Authors: Li Jing , Wang Jiaoli , Liu Shiyuan , Xie Nuli , Quan Ke , Yang Yanjing , Yang Xiaohai , Huang Jin , Wang Kemin 
Published: July 2020

AbstractIt is of great value to detect biological molecules in live cells. However, probes for imaging low‐abundance targets in live cells are limited by the one‐to‐one signal‐triggered model. Here, we introduce the concept of the amplified FRET nanoflare, which employs high‐abundance endogenous mRNA as fuel strands to amplify the detection of low abundance intracellular miRNA. As far as we know, this is the first report of an endogenous mRNA‐powered nanomachine for intracellular molecular detection. We experimentally prove the mechanism of the nanomachine and demonstrate its specificity and sensitivity. The proposed amplified FRET nanoflare can act as an excellent intracellular molecular detection strategy that is promising for biological and medical applications.
Construction of Organelle‐Like Architecture by Dynamic DNA Assembly in Living Cells
Authors: Guo Xiaocui , Li Feng , Liu Chunxia , Zhu Yi , Xiao Nannan , Gu Zi , Luo Dan , Jiang Jianhui , Yang Dayong 
Published: July 2020

AbstractThe design of controllable dynamic systems is vital for the construction of organelle‐like architectures in living cells, but has proven difficult due to the lack of control over defined topological transformation of self‐assembled structures. Herein, we report a DNA based dynamic assembly system that achieves lysosomal acidic microenvironment specifically inducing topological transformation from nanoparticles to organelle‐like hydrogel architecture in living cells. Designer DNA nanoparticles are constructed from double‐stranded DNA with cytosine‐rich stick ends (C‐monomer) and are internalized into cells through lysosomal pathway. The lysosomal acidic microenvironment can activate the assembly of DNA monomers, inducing transformation from nanoparticles to micro‐sized organelle‐like hydrogel which could further escape into cytoplasm. We show how the hydrogel regulates cellular behaviors: cytoskeleton is deformed, cell tentacles are significantly shortened, and cell migration is promoted.
Efficient Pd‐Catalyzed Direct Coupling of Aryl Chlorides with Alkyllithium Reagents
Authors: Scherpf Thorsten , Steinert Henning , Großjohann Angela , Dilchert Katharina , Tappen Jens , Rodstein Ilja , Gessner Viktoria H. 
Published: July 2020

AbstractOrganolithium compounds are amongst the most important organometallic reagents and frequently used in difficult metallation reactions. However, their direct use in the formation of C−C bonds is less established. Although remarkable advances in the coupling of aryllithium compounds have been achieved, Csp2−Csp3 coupling reactions are very limited. Herein, we report the first general protocol for the coupling or aryl chlorides with alkyllithium reagents. Palladium catalysts based on ylide‐substituted phosphines (YPhos) were found to be excellently suited for this transformation giving high selectivities at room temperature with a variety of aryl chlorides without the need for an additional transmetallation reagent. This is demonstrated in gram‐scale synthesis including building blocks for materials chemistry and pharmaceutical industry. Furthermore, the direct coupling of aryllithiums as well as Grignard reagents with aryl chlorides was also easily accomplished at room temperature.
Improving through‐thickness conductivity of carbon fiber reinforced polymer using carbon nanotube/polyethylenimine at the interlaminar region
Authors: Robert Colin , Thitasiri Witiwat Best , Mamalis Dimitrios , Hussein Zakareya Elmo , Waqas Muhammad , Ray Dipa , Radacsi Norbert , Koutsos Vasileios 
Published: July 2020

AbstractThe through‐thickness conductivity of carbon fiber reinforced polymer (CFRP) composite was increased by incorporating multiwalled carbon nanotubes in the interlaminar region. Carbon nanotubes (CNTs) were dispersed in a polyethylenimine (PEI) binder, which was then coated onto the carbon fiber fabric. Standard vacuum‐assisted resin infusion process was applied to fabricate the composite laminates. This modification technique aims to enhance the electrical conductivity in through‐thickness direction for the purpose of nondestructive testing, damage detection, and electromagnetic interference shielding. CNT concentrations ranging from 0 to 0.75 wt% were used and compared to pristine CFRP samples (reference). The through‐thickness conductivity of the CFRP exhibited an improvement of up to 781% by adopting this technique. However, the dispersion of CNT in PEI led to a viscosity increase and poor wetting properties which resulted in the formation of voids/defects, poor adhesion (as shown in scanning electron micrographs) and the deterioration of the mechanical properties as manifested by interlaminar shear strength and dynamic mechanical analysis measurements.
Tailored Silicon/Carbon Compounds for Printed Li–Ion Anodes
Authors: Sukkurji Parvathy Anitha , Issac Ibrahim , Singaraju Surya Abhishek , Velasco Leonardo , Aghassi Hagmann Jasmin , Bessler Wolfgang , Hahn Horst , Botros Miriam , Breitung Ben 
Published: July 2020

AbstractInvited for this month's cover picture is the group and collaboration partners of Prof. Horst Hahn from the Institute of Nanotechnology (INT) at Karlsruhe Institute of Technology (KIT). The cover picture shows printed silicon anodes coated with carbon for powering of electrolyte‐gated transistors. Read the full text of the Article at 10.1002/batt.202000052.
Toward in silico CMC: An industrial collaborative approach to model‐based process development
Authors: Roush David , Asthagiri Dilip , Babi Deenesh K. , Benner Steve , Bilodeau Camille , Carta Giorgio , Ernst Philipp , Fedesco Mark , Fitzgibbon Sean , Flamm Matthew , Griesbach Jan , Grosskopf Tobias , Hansen Ernst B. , Hahn Tobias , Hunt Stephen , Insaidoo Francis , Lenhoff Abraham , Lin Jasper , Marke Henrik , Marques Bruno , Papadakis Emmanouil , Schlegel Fabrice , Staby Arne , Stenvang Marcel , Sun Larry , Tessier Peter M. , Todd Robert , von Lieres Eric , Welsh John , Willson Richard , Wang Gang , Wucherpfennig Thomas , Zavalov Oleksandr 
Published: July 2020

AbstractThe Third Modeling Workshop focusing on bioprocess modeling was held in Kenilworth, NJ in May 2019. A summary of these Workshop proceedings is captured in this manuscript. Modeling is an active area of research within the biotechnology community, and there is a critical need to assess the current state and opportunities for continued investment to realize the full potential of models, including resource and time savings. Beyond individual presentations and topics of novel interest, a substantial portion of the Workshop was devoted toward group discussions of current states and future directions in modeling fields. All scales of modeling, from biophysical models at the molecular level and up through large scale facility and plant modeling, were considered in these discussions and are summarized in the manuscript. Model life cycle management from model development to implementation and sustainment are also considered for different stages of clinical development and commercial production. The manuscript provides a comprehensive overview of bioprocess modeling while suggesting an ideal future state with standardized approaches aligned across the industry.
Game‐based activities targeting visual literacy skills to increase understanding of biomolecule structure and function concepts in undergraduate biochemistry
Authors: Terrell Cassidy R. , Nickodem Kyle , Bates Alison , Kersten Cassandra , Mernitz Heather 
Published: July 2020

AbstractIntroductory biochemistry courses are often challenging for students because they require the integration of chemistry, biology, physics, math, and physiology knowledge and frameworks to understand and apply a large body of knowledge. This can be complicated by students' persistent misconceptions of fundamental concepts and lack of fluency with the extensive visual and symbolic literacy used in biochemistry. Card sorting tasks and game‐based activities have been used to reveal insights into how students are assimilating, organizing, and structuring disciplinary knowledge, and how they are progressing along a continuum from disciplinary novice to expert. In this study, game‐based activities and card sorting tasks were used to promote and evaluate students' understanding of fundamental structure–function relationships in biochemistry. Our results suggest that while many markers of expertise increased for both the control and intervention groups over the course of the semester, students involved in the intervention activities tended to move further towards expert‐like sorting. This indicates that intentional visual literacy game‐based activities have the ability to build underdeveloped skills in undergraduate students.
Syntheses of Thailandepsin B Pseudo‐Natural Products: Access to New Highly Potent HDAC Inhibitors via Late‐Stage Modification
Authors: Brosowsky Jana , Lutterbeck Monika , Liebich Amelie , Keller Manfred , Herp Daniel , Vogelmann Anja , Jung Manfred , Breit Bernhard 
Published: July 2020

AbstractNew Thailandepsin B pseudo‐natural products have been prepared. Our synthetic strategy offers the possibility to introduce varying warheads via late stage modification. Additionally, it gives access to the asymmetric branched allylic ester moiety of the natural product in a highly diastereoselective manner applying rhodium‐catalyzed hydrooxycarbonylation. The newly developed pseudo‐natural products are extremely potent and selective HDAC inhibitors. The non‐proteinogenic amino acid d‐norleucine was obtained enantioselectively by a recently developed method of rhodium‐catalyzed hydroamination.
Photocatalytic CO2 Reductions Catalyzed by meso‐(1,10‐Phenanthrolin‐2‐yl)‐Porphyrins Having a Rhenium(I) Tricarbonyl Complex
Authors: Kuramochi Yusuke , Satake Akiharu 
Published: July 2020

AbstractWe have prepared Zn and free‐base porphyrins appended with a fac‐Re(phen)(CO)3Br (where phen is 1,10‐phenanthroline) at the meso position of the porphyrin, and performed photocatalytic CO2 reduction using porphyrin–Re dyads in the presence of either triethylamine (TEA) or 1,3‐dimethyl‐2‐phenyl‐2,3‐dihydro‐1H‐benzo[d]imidazole (BIH) as an electron donor. The Zn porphyrin dyad showed a high turnover number for CO production compared with the free‐base porphyrin dyad, suggesting that the central Zn ion of porphyrin plays an important role in suppressing electron accumulation on the porphyrin part and achieving high durability of the photocatalytic CO2 reduction using both TEA and BIH. The effect of acids on the CO2 reduction was investigated using the Zn porphyrin–Re dyad and BIH. Acetic acid, a relatively strong Brønsted acid, rapidly causes the porphyrin's color to fade upon irradiation and dramatically decreases CO production, whereas proper weak Brønsted acids such as 2,2,2‐trifluoroethanol and phenol enhance the CO2 reduction.
Understanding bitumen partial upgrading through process modelling and simulation
Authors: Gholami Rahman , Alvarez‐Majmutov Anton , Ali Mohamed , Chen Jinwen 
Published: July 2020

AbstractPartial upgrading is an emerging direction in the processing of Canadian oil sands bitumen in response to the economic and environmental challenges in the oil sands industry. Partial upgrading aims to improve bitumen quality only to the level at which pipeline specifications are met without use of diluent. Given that partial upgrading technologies have not yet reached commercial deployment, there is a lack of technical data to assess the expected benefits in terms of energy input and greenhouse gas emissions reduction. In this study, we present an assessment of a partial upgrading scheme using detailed process simulation. We developed a conceptual process scheme considering visbreaking, solvent deasphalting, and naphtha hydrotreating as the core partial upgrading processes. Reactor models were assembled using experimental data from CanmetENERGY's pilot plant facilities and from the literature and integrated into a plant‐wide simulation model. Simulations allowed the examination of trends in partial upgrader product yields and quality and enabled a comparison with traditional bitumen upgrading.
Cell‐Penetrating Peptide‐Conjugated BF2‐Oxasmaragdyrins as NIRF Imaging and Photothermal Agents
Authors: Laxman Kandala , Reddy B. Pradeep K. , Robinson Andrea , Srivastava Rohit , Ravikanth Mangalampalli 
Published: July 2020

AbstractCell‐penetrating peptides (CPPs) are excellent cell internalizing agents for hydrophobic drug/dye moieties. We exploited this property of CPPs for the cell internalization of BF2‐oxasmaragdyrin by constructing covalent conjugates of BF2‐oxasmaragdyrin with CPPs (CRGDK and polyarginine (R9)) using a solid‐phase peptide synthesis (SPPS) methodology. The CPP‐conjugated BF2‐oxasmaragdyrins were purified by reversed‐phase HPLC and characterized by mass spectrometry. The CPP‐conjugated BF2‐oxasmaragdyrins were found to be photostable, absorb in the visible‐NIR region (400–700 nm), emit in the NIR−I region (∼715–720 nm) with moderate quantum yields, and be biocompatible, with excellent cellular imaging potential in breast cancer cells (MDA‐MB‐231). The R9 conjugate, being the first water‐soluble BF2‐oxasmaragdyrin, also possesses excellent photothermal transduction efficacy with 750 nm laser irradiation and is a potential theranostic agent.
From Heteroditopic to Multitopic Receptors for Ion‐Pair Recognition: Advances in Receptor Design and Applications
Authors: McConnell Anna J. , Docker Andrew , Beer Paul D. 
Published: July 2020

AbstractIon‐pair recognition has emerged from cation and anion recognition and become a diverse and active field in its own right. The last decade has seen significant advances in receptor design in terms of the types of binding motifs, understanding of cooperativity and increase in complexity from heteroditopic to multitopic receptors. As a result, attention has turned to applying this knowledge to the rational design of ion‐pair receptors for applications in salt solubilisation and extraction, membrane transport and sensing. This Review highlights recent progress and developments in the design and applications of heteroditopic and multitopic receptors for ion‐pair recognition.
Improved STR analysis of degraded DNA from human skeletal remains through in‐house MPS‐STR panel
Authors: Cho Sohee , Shin Kyoung‐Jin , Bae Su‐Jin , Kwon Ye‐Lim , Lee Soong Deok 
Published: July 2020

AbstractDNA analysis of degraded samples and low‐copy number DNA derived from skeletal remains, one of the most challenging forensic tasks, is common in disaster victim identification and genetic analysis of historical materials. Massively parallel sequencing (MPS) is a useful technique for STR analysis that enables the sequencing of smaller amplicons compared with conventional capillary electrophoresis (CE), which is valuable for the analysis of degraded DNA. In this study, 92 samples of human skeletal remains (70+ years postmortem) were tested using an in‐house MPS‐STR system designed for the analysis of degraded DNA. Multiple intrinsic factors of DNA from skeletal remains that affect STR typing were assessed. The recovery of STR alleles was influenced more by DNA input amount for amplification rather than DNA degradation, which may be attributed from the high quantity and quality of libraries prepared for MPS run. In addition, the higher success rate of STR typing was achieved using the MPS‐STR system compared with a commercial CE‐STR system by providing smaller sized fragments for amplification. The results can provide constructive information for the analysis of degraded sample, and this MPS‐STR system will contribute in forensic application with regard to skeletal remain sample investigation.
Zinc based micro‐electrochemical energy storage devices: Present status and future perspective
Authors: Wang Xiao , Wu Zhong‐Shuai 
Published: July 2020

AbstractIn order to keep rapid pace with increasing demand of wearable and miniature electronics, zinc‐based microelectrochemical energy storage devices (MESDs), as a promising candidate, have gained increasing attention attributed to low cost, environmental benign, and high performance. Herein, this review summarizes the state‐of‐the‐art advances of zinc‐based MESDs in microbatteries (MBs) and microsupercapacitors and highlights merits of cost effectiveness and high performance for miniaturized smart integrated systems. First, an introduction is given to present importance of zinc‐based MESDs. Second, current status with representative fiber, in‐plane and sandwiched configurations are illustrated in detail, particularly with a focus on the reasonable construction of multifunctional MBs and microsupercapacitors and deep understanding of energy storage mechanisms. Then, achievements for smart systems are overviewed to highlight environmental adaptability, integratable properties, and scalability in targeting applications. Finally, critical perspectives and challenges on the synergistic optimization of whole device are discussed to demonstrate forward‐looking developmental directions of zinc‐based MESDs.image