bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modeling Optical Materials at the Single Scatterer Level: The Transition from Homogeneous to Heterogeneous Materials
Authors: Werdehausen Daniel , Santiago Xavier Garcia , Burger Sven , Staude Isabelle , Pertsch Thomas , Rockstuhl Carsten , Decker Manuel 
Published: September 2020

AbstractMaterials that contain distinct scatterers, for example, nanoparticles, with sizes exceeding 100 nm scatter light heavily and are heterogeneous. In contrast, the atomic or molecular scatterers in conventional optical materials form a homogeneous distribution on the scale of the wavelength. In this paper, the transition between homogeneous and heterogeneous materials is investigated. To this end, a procedure is introduced that allows for retrieving reliable refractive index values from full wave optical numerical simulations of the underlying multibody scattering problem. Using this procedure, it is shown that the concept of an effective refractive index breaks down on multiple levels as a material transitions out of the homogeneous regime. These findings allow for quantifying how novel dispersion‐engineered nanocomposites for bulk optical applications must be designed and show that Maxwell–Garnett‐type effective medium theories are accurate tools for the design of nanocomposites. The procedure can be readily generalized to other types of scatterers, including atoms and molecules and hence guide the design of different kinds of novel materials.
MeCas12a, a Highly Sensitive and Specific System for COVID‐19 Detection
Authors: Ma Peixiang , Meng Qingzhou , Sun Baoqing , Zhao Bing , Dang Lu , Zhong Mingtian , Liu Siyuan , Xu Hongtao , Mei Hong , Liu Jia , Chi Tian , Yang Guang , Liu Ming , Huang Xingxu , Wang Xinjie 
Published: September 2020

AbstractCas12a‐based systems, which detect specific nucleic acids via collateral cleavage of reporter DNA, display huge potentials for rapid diagnosis of infectious diseases. Here, the Manganese‐enhanced Cas12a (MeCas12a) system is described, where manganese is used to increase the detection sensitivity up to 13‐fold, enabling the detection of target RNAs as low as five copies. MeCas12a is also highly specific, and is able to distinguish between single nucleotide polymorphisms (SNPs) differing by a single nucleotide. MeCas12a can detect severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) in clinical samples and distinguish between SARS‐CoV‐2 and Middle East respiratory syndrome coronavirus (MERS‐CoV) RNA in simulated samples, thus offering an attractive alternative to other methods for the diagnosis of infectious diseases including COVID‐19 and MERS.
Ultra‐High Thermoelectric Performance in Bulk BiSbTe/Amorphous Boron Composites with Nano‐Defect Architectures
Authors: Yang Guangsai , Niu Ranming , Sang Lina , Liao Xiaozhou , Mitchell David R. G. , Ye Ning , Pei Jun , Li Jing‐Feng , Wang Xiaolin 
Published: September 2020

AbstractBased on the Seebeck and Peltier effects, state‐of‐the‐art bismuth telluride‐based thermoelectric materials, which are capable of direct and reversible conversion of thermal to electrical energy, have great potential in energy harvesting and solid‐state refrigerators. However, their widespread use is limited by their low conversion efficiency, which is determined by the dimensionless figure‐of‐merit (ZT). Significant enhancement of ZT is a great challenge owing to the common interdependence of electrical and thermal conductivity. Here, it is demonstrated that by incorporating nanoamorphous boron into the p‐type Bi0.5Sb1.5Te3, a record high ZT of 1.6 at 375 K is achieved. It is shown that a high density of nanostructures and dislocations due to the incorporation of the boron inclusions, leads to a significant reduction of thermal conductivity and improved charge transport. The findings represent an important step to further promote the development of thermoelectric technology and its widespread application in solid‐state refrigeration and power generation from waste heat.
Coupling Effect of Piezo–Flexocatalytic Hydrogen Evolution with Hybrid 1T‐ and 2H‐Phase Few‐Layered MoSe2 Nanosheets
Authors: Chung Yun‐Jung , Yang Cheng‐Shiun , Lee Jyun‐Ting , Wu Guan Hua , Wu Jyh Ming 
Published: September 2020

AbstractHybrid 1T‐ and 2H‐phase MoSe2 nanosheets with active reaction sites, which display strong piezoelectric responses and extraordinary flexoelectric potential (flexopotential), are demonstrated. The strain‐induced piezoelectric potential (piezopotential) establishes at interfacial areas between 1T and 2H‐phase that modulates the local‐contact characteristics to enhance charge separation. The piezo‐ and flexopotential coupling effect is observed not only on edge‐site MoSe2 nanosheets but also on polarized surfaces of the MoSe2 nanosheets across the top and bottom surfaces, thus establishing an internal electric field to separate electron–hole pairs and proceeding with electrochemical reaction with polar molecules, generating hydrogen gas at ≈5000 µmol g−1 h−1. The nanosheets assemble nanoflowers with abundant edge‐sites, which serve as cantilever beams for traction force at the free ends of nanosheets. On increasing the bending moment, an extraordinary flexopotential results along the z‐axis. The strain gradients induce piezo–flexoelectric coupling effects on numerous edge‐site nanosheets, structural boundaries, and the polarized surface along the z‐axis, which potentially facilitate a state‐of‐the‐art catalytic hydrogen evolution reaction.
3D CoSe@C Aerogel as a Host for Dendrite‐Free Lithium‐Metal Anode and Efficient Sulfur Cathode in Li–S Full Cells
Authors: He Jiarui , Manthiram Arumugam 
Published: September 2020

AbstractLithium–sulfur batteries are appealing due to their high energy density and low cost. However, their commercial viability is challenged by uncontrollable dendritic Li growth and severe polysulfide shuttling during cycling. Here, a 3D framework coupling lithiophilic and catalytic CoSe nanoparticles with conductive carbon nanowires (CoSe@C) as an efficient host both for lithium and sulfur is reported. As a cathode host, CoSe@C offers highly efficient catalytic activity for polysulfide redox. As a rationally designed matrix with a high affinity for Li, CoSe@C guides a homogenous growth of Li within the 3D framework, which effectively suppresses dendritic Li growth. As a result, the CoSe@C/Li anode exhibits an ultralong lifespan of > 3000 h with a low overpotential of <23 mV. Remarkably, a full cell with a S/CoSe@C cathode and a CoSe@C/Li anode with a low negative to positive electrode capacity (N/P) ratio of ≈4 exhibits long cycle life of over 600 cycles with a high areal capacity of 5.8 mA h cm−2. It also remains stable after 50 cycles even with lean electrolyte (E/S: 4.5 µL mg−1) and a low N/P ratio of ≈4. This work offers new insights and opportunities for developing dendrite‐free, high‐performance Li–S battery technology.
Further delineation of HIDEA syndrome
Authors: Maddirevula Sateesh , Ben‐Omran Tawfeg , AlMureikhi Mariam , Eyaid Wafa , Arabi Hisham , Alkuraya Hisham , Alfaifi Abdullah , Alfalah Abdullah Hamed , Alsaif Hessa S. , Abdulwahab Firdous , Alfadhel Majid , Alkuraya Fowzan S. 
Published: September 2020

AbstractRecently, the genetic cause of HIDEA syndrome (hypotonia, hypoventilation, intellectual disability, dysautonomia, epilepsy, and eye abnormalities) was identified as biallelic pathogenic variants in P4HTM, which encodes an atypical member of the prolyl 4‐hydroxylases (P4Hs) family of enzymes. We report seven patients from four new families in whom HIDEA was only diagnosed after whole‐exome sequencing (WES) revealed novel disease‐causing variants in P4HTM. We note the variable phenotypic expressivity of the syndrome except for cognitive impairment/developmental delay, and hypotonia, which seem to be consistent findings. One patient only presented with hypotonia, developmental delay, and abnormal eye movements, which highlights the challenge in diagnosing milder cases with this new syndrome. Other notable features include mild facial dysmorphism, obesity, and brain dysmyelination and atrophy. We conclude that HIDEA is a highly variable syndrome and suspect that a large fraction of patients will be diagnosed via reverse phenotyping after recessive P4HTM variants are identified by agnostic genomic sequencing assays.
Roadmap to recovery: Reporting on a research taskforce supporting Indigenous responses to COVID‐19 in Australia
Authors: Moodie Nikki , Ward James , Dudgeon Patricia , Adams Karen , Altman Jon , Casey Dawn , Cripps Kyllie , Davis Megan , Derry Kate , Eades Sandra , Faulkner Samantha , Hunt Janet , Klein Elise , McDonnell Siobhan , Ring Ian , Sutherland Stewart , Yap Mandy 
Published: September 2020

AbstractIn April 2020 a Group of Eight Taskforce was convened, consisting of over 100 researchers, to provide independent, research‐based recommendations to the Commonwealth Government on a “Roadmap to Recovery” from COVID‐19. The report covered issues ranging from pandemic control and relaxation of social distancing measures, to well‐being and special considerations for vulnerable populations. Our work focused on the critical needs of Aboriginal and Torres Strait Islander communities; this paper presents an overview of our recommendations to the Roadmap report. In addressing the global challenges posed by pandemics for citizens around the world, Indigenous people are recognised as highly vulnerable. At the time of writing Australia's First Nations Peoples have been largely spared from COVID‐19 in comparison to other Indigenous populations globally. Our recommendations emphasise self‐determination and equitable needs‐based funding to support Indigenous communities to recover from COVID‐19, addressing persistent overcrowded housing, and a focus on workforce, especially for regional and remote communities. These latter two issues have been highlighted as major issues of risk for Indigenous communities in Australia It remains to be seen how governments across Australia take up these recommendations to support Indigenous peoples' health and healing journey through yet another, potentially catastrophic, health crisis.
Synchronous reversible cerebral vasoconstriction syndrome following thyrotoxicosis in a postpartum woman
Authors: Arakaki Daichi , Terasawa Teruhiko , Iwata Mitsunaga , Uenishi Norimichi 
Published: September 2020

BackgroundReversible cerebral vasoconstriction syndrome (RCVS) typically manifests with acute‐onset, recursive, severe headache that continues for a month; it rarely manifests as seizures. Development of RCVS following thyrotoxicosis has not been previously reported in detail.Case PresentationA 30‐year‐old postpartum woman with thyrotoxicosis developed a generalized seizure refractory to anticonvulsants. Magnetic resonance angiography demonstrated cerebral artery stenosis in the right anterior cerebral artery and the right middle cerebral artery. These findings were compatible with RCVS. Reversible cerebral vasoconstriction syndrome was treated successfully with i.v. nicardipine and conventional management was undertaken for thyrotoxicosis.ConclusionThis is the first well‐documented case of a postpartum woman with synchronous RCVS following thyrotoxicosis. Reversible cerebral vasoconstriction syndrome and thyrotoxicosis can coincidentally occur in postpartum women and manifest with postpartum seizures.
Location and Size of Preterm Cerebellar Hemorrhage and Childhood Development
Authors: Garfinkle Jarred , Guo Ting , Synnes Anne , Chau Vann , Branson Helen M. , Ufkes Steven , Tam Emily W. Y. , Grunau Ruth E. , Miller Steven P. 
Published: September 2020

ObjectiveTo examine the association between cerebellar hemorrhage (CBH) size and location and preschool‐age neurodevelopment in very preterm neonates.MethodsPreterm magnetic resonance images of 221 very preterm neonates (median gestational age = 27.9 weeks) were manually segmented for CBH quantification and location. Neurodevelopmental assessments at chronological age 4.5 years included motor (Movement Assessment Battery for Children, 2nd Edition [MABC‐2]), visuomotor integration (Beery‐Buktenica Developmental Test of Visual‐Motor Integration, 6th Edition), cognitive (Wechsler Primary and Preschool Scale of Intelligence, 3rd Edition), and behavioral (Child Behavior Checklist) outcomes. Multivariable linear regression models examined the association between CBH size and 4.5‐year outcomes accounting for sex, gestational age, and supratentorial injury. Probabilistic maps assessed CBH location and likelihood of a lesion to predict adverse outcome.ResultsThirty‐six neonates had CBH: 14 (6%) with only punctate CBH and 22 (10%) with ≥1 larger CBH. CBH occurred mostly in the inferior aspect of the posterior lobes. CBH total volume was independently associated with MABC‐2 motor scores at 4.5 years (β = −0.095, 95% confidence interval = −0.184 to −0.005), with a standardized β coefficient (−0.16) that was similar to that of white matter injury volume (standardized β = −0.22). CBH size was similarly associated with visuomotor integration and externalizing behavior but not cognition. Voxelwise odds ratio and lesion‐symptom maps demonstrated that CBH extending more deeply into the cerebellum predicted adverse motor, visuomotor, and behavioral outcomes.InterpretationCBH size and location on preterm magnetic resonance imaging were associated with reduced preschool motor and visuomotor function and more externalizing behavior independent of supratentorial brain injury in a dose‐dependent fashion. The volumetric quantification and localization of CBH, even when punctate, may allow opportunity to improve motor and behavioral outcomes by providing targeted intervention. ANN NEUROL 2020;88:1095–1108
An Active‐Site Sulfonate Group Creates a Fast Water Oxidation Electrocatalyst That Exhibits High Activity in Acid
Authors: Nash Aaron G. , Breyer Colton J. , Vincenzini Brett D. , Elliott Gregory I. , Niklas Jens , Poluektov Oleg G. , Rheingold Arnold L. , Smith Diane K. , Musaev Djamaladdin G. , Grotjahn Douglas B. 
Published: September 2020

AbstractThe storage of solar energy in chemical bonds will depend on pH‐universal catalysts that are not only impervious to acid, but actually thrive in it. Whereas other homogeneous water oxidation catalysts are less active in acid, we report a catalyst that maintained high electrocatalytic turnover frequency at pH values as low as 1.1 and 0.43 (kcat=1501±608 s−1 and 831±254 s−1, respectively). Moreover, current densities, related to catalytic reaction rates, ranged from 15 to 50 mA cm−2 mM−1 comparable to those reported for state‐of‐the‐art heterogeneous catalysts and 30 to 100 times greater than those measured for two prominent literature homogeneous catalysts at pH 1.1 and 0.43. The catalyst also exhibited excellent durability when a chemical oxidant was used (CeIV, 7400 turnovers, TOF 0.88 s−1). Preliminary computational studies suggest that the unusual active‐site sulfonate group acts a proton relay even in strong acid, as intended.
Precise Alkoxyamine Design to Enable Automated Tandem Mass Spectrometry Sequencing of Digital Poly(phosphodiester)s
Authors: Launay Kévin , Amalian Jean‐Arthur , Laurent Eline , Oswald Laurence , Al Ouahabi Abdelaziz , Burel Alexandre , Dufour Florent , Carapito Christine , Clément Jean‐Louis , Lutz Jean‐François , Charles Laurence , Gigmes Didier 
Published: September 2020

AbstractA major step towards reliable reading of information coded in the sequence of long poly(phosphodiester)s was previously achieved by introducing an alkoxyamine spacer between information sub‐segments. However, MS/MS decoding had to be performed manually to safely identify useful fragments of low abundance compared to side‐products from the amide‐based alkoxyamine used. Here, alternative alkoxyamines were designed to prevent side‐reactions and enable automated MS/MS sequencing. Different styryl‐TEMPO spacers were prepared to increase radical delocalization and stiffness of the structure. Their dissociation behavior was investigated by EPR and best results were obtained with spacers containing in‐chain benzyl ring, with no side‐reaction during synthesis or sequencing. Automated decoding of these polymers was performed using the MS‐DECODER software, which interprets fragmentation data recorded for each sub‐segment and re‐align them in their original order based on location tags.
A Surface‐Strained and Geometry‐Tailored Nanoreactor that Promotes Ammonia Electrosynthesis
Authors: Li Panpan , Jin Zhaoyu , Fang Zhiwei , Yu Guihua 
Published: September 2020

AbstractA surface‐strained and geometry‐optimized TiO2 nanoreactor enhances the performance of electrocatalytic nitrogen fixation. The nanotubular confinement allows spatial regulation of the mass transport of nitrogen during the NRR process and offers an enlarged surface area, thus boosting the ammonia production with high selectivity. Both experimental and theoretical evidence support strained Ti3+ sites, demonstrating a more favorable pathway for the N2 activation and selective NH3 production with a faster kinetic rate than the pristine TiO2. The TiO2‐based nanoreactor with surface and bulk structure tailoring delivered an NH3 yield rate up to 5.50 μg h−1 cm−2 (16.67 μg h−1 mgcat−1) and high faradaic efficiency of 26 % under ambient aqueous conditions. Our findings highlight the concept of lattice strain and geometry modified nanoreactors, which will have broad implications in the renewable energy catalysis and electrosynthesis of valuable products.
Direct Writing Large‐Area Multi‐Layer Ultrasmooth Films by an All‐Solution Process: Toward High‐Performance QLEDs
Authors: Zhang Min , Deng Huanhuan , Meng Lili , Wang Hongqin , Wang Yunjun , Liu Huan 
Published: September 2020

AbstractWith increasing the film area/layer, deteriorating in both smoothness and uniformity of thin‐films frequently happen, which remains a barrier for making large‐area quantum dot light‐emitting diodes (QLEDs) by solution processes. Here, we demonstrated a facile all‐solution process guided by the conical fiber array to write multi‐layer ultrasmooth thin‐films directly in centimeter scale. The side‐by‐side fibrous array helps to align surface tensions at the tri‐phase contact line to facilitate large‐area homogeneous deposition, which was verified by theoretical simulation. The Laplace pressure along individual conical fiber contributes to the steady liquid transfer. Thin‐films with small roughness (<2.03 nm) and large‐area (2×2 cm2) uniformity were prepared sequentially on the target substrate, leading to large‐area high‐performance QLEDs. The result offers new insights for fabricating large‐area high‐performance thin‐film devices.
Shear Stress‐Responsive Polymersome Nanoreactors Inspired by the Marine Bioluminescence of Dinoflagellates
Authors: Rifaie‐Graham Omar , Galensowske Nikolas F. B. , Dean Charlie , Pollard Jonas , Balog Sandor , Gouveia Micael G. , Chami Mohamed , Vian Antoine , Amstad Esther , Lattuada Marco , Bruns Nico 
Published: September 2020

AbstractSome marine plankton called dinoflagellates emit light in response to the movement of surrounding water, resulting in a phenomenon called milky seas or sea sparkle. The underlying concept, a shear‐stress induced permeabilisation of biocatalytic reaction compartments, is transferred to polymer‐based nanoreactors. Amphiphilic block copolymers that carry nucleobases in their hydrophobic block are self‐assembled into polymersomes. The membrane of the vesicles can be transiently switched between an impermeable and a semipermeable state by shear forces occurring in flow or during turbulent mixing of polymersome dispersions. Nucleobase pairs in the hydrophobic leaflet separate when mechanical force is applied, exposing their hydrogen bonding motifs and therefore making the membrane less hydrophobic and more permeable for water soluble compounds. This polarity switch is used to release payload of the polymersomes on demand, and to activate biocatalytic reactions in the interior of the polymersomes.
NIR‐Sensitized Cationic and Hybrid Radical/Cationic Polymerization and Crosslinking
Authors: Pang Yulian , Shiraishi Atsushi , Keil Dietmar , Popov Sergey , Strehmel Veronika , Jiao Hongjun , Gutmann Jochen S. , Zou Yingquan , Strehmel Bernd 
Published: September 2020

AbstractNIR‐sensitized cationic polymerization proceeded with good efficiency, as was demonstrated with epoxides, vinyl ether, and oxetane. A heptacyanine functioned as sensitizer while iodonium salt served as coinitiator. The anion adopts a special function in a series selected from fluorinated phosphates (a: [PF6]−, b: [PF3(C2F5)3]−, c: [PF3(n‐C4F9)3]−), aluminates (d: [Al(O‐t‐C4F9)4]−, e: [Al(O(C3F6)CH3)4]−), and methide [C(O‐SO2CF3)3]− (f). Vinyl ether showed the best cationic polymerization efficiency followed by oxetanes and oxiranes. DFT calculations provided a rough pattern regarding the electrostatic potential of each anion where d showed a better reactivity than e and b. Formation of interpenetrating polymer networks (IPNs) using trimethylpropane triacrylate and epoxides proceeded in the case of NIR‐sensitized polymerization where anion d served as counter ion in the initiator system. No IPN was formed by UV‐LED initiation using the same monomers but thioxanthone/iodonium salt as photoinitiator. Exposure was carried out with new NIR‐LED devices emitting at either 805 or 870 nm.
Development of a multiclass method to quantify phthalates, pharmaceuticals, and personal care products in river water using ultra‐high performance liquid chromatography coupled with quadrupole hybrid Orbitrap mass spectrometry
Authors: Rendedula Deviprasad , Satyanarayana Gubbala Naga Venkata , Asati Ankita , Kaliyaperumal Muralidharan , Mudiam Mohana Krishna Reddy 
Published: September 2020

AbstractRationaleThe organic micropollutants such as phthalates, pharmaceuticals, and personal care products (PPPCPs) enter the surface water through various routes. The aim of this study is to develop a sensitive and efficient method to identify and quantify 26 PPPCPs found in river water with acceptable accuracy and precision using a liquid chromatograph hyphenated with quadrupole hybrid Orbitrap mass spectrometry (Q‐Orbitrap‐MS) in a single chromatographic run.MethodThe organic micropollutants were extracted from river water by solid‐phase extraction (SPE) using hydrophilic‐lipophilic balance sorbent and analyzed using an ultra‐high performance liquid chromatograph (UHPLC) equipped with C18 stationary phase for chromatographic separation. The targeted mass experiments were conducted in a Q‐Orbitrap‐MS system in positive and negative electrospray ionization mode.ResultsThe method was found to be linear in the concentration range of 1‐125 ng/L with coefficient of determination lying in the range of 0.995‐0.999. The method achieved limit of quantification in the range of 0.41‐1.72 ng/L, and method recovery measured at three different concentrations was found to be in the range of 75‐115%. Intra‐ and interday precision expressed as percent relative standard deviation was found to be <15%. Matrix effect was found to be in the range of 83.5‐109.79%. The matrix match calibration was used for quantification of PPPCPs in river water sample. The method performance was evaluated by analyzing real samples collected from Ganga River, and the concentrations of 21 analytes were found to be in the range of 0.76‐9.49 ng/L for pharmaceuticals, 1.49–8.67 ng/L for phthalates, and 0.9‐7.58 ng/L for personal care products.ConclusionsThe present method was found to be precise, sensitive, and rapid to determine 26 PPPCPs including phthalates in river water samples using SPE‐UHPLC‐Q‐Orbitrap‐MS.