bluuebunny/crossref_metadata_2025_split huggingface dataset:
All‐Dielectric Metasurface for Manipulating the Superpositions of Orbital Angular Momentum via Spin‐Decoupling
Authors: Zheng Chenglong , Wang Guocui , Li Jie , Li Jitao , Wang Silei , Zhao Hongliang , Li Mengyao , Yue Zhen , Zhang Yating , Zhang Yan , Yao Jianquan 
Published: March 2021

AbstractVortex beams, carrying orbital angular momentum (OAM), have plenty of applications ranging from particle manipulation to high‐capacity data transmissions. In particular, the superpositions of OAM patterns are significant in classical physics and quantum science. The flexible control of spin angular momentum (SAM) to OAM can provide more freedom for the design of multifunctional devices. Here, a kind of dielectric metasurface is proposed that generates polarization‐controllable superpositions of OAM patterns in the terahertz (THz) band, which is achieved by the interleaving of anisotropic and isotropic meta‐atoms. The conversions of arbitrary SAM to OAM have been realized by combining Pancharatnam‐Berry (PB) and propagation phase. Not only multiple superposition states of OAM can be generated in the transverse polarization, but also two superposition states of OAM with arbitrary topological charges can be realized in the longitudinal polarization. Several metasurfaces have been designed to demonstrate the multifunctional design, and the feasibility of the theory has been verified in the experiment. Such multifunctional design can find applications in particle manipulation, communication, harmonic generation, and other fields.
Biased Symmetry Breaking and Chiral Control by Self‐Replicating in Achiral Tetradentate Platinum (II) Complexes
Authors: Yang Bo , Zou Guo , Zhang Shilin , Ni Hailiang , Wang Haifeng , Xu Wei , Yang Cheng , Zhang Hui , Yu Wenhao , Luo Kaijun 
Published: March 2021

AbstractObtaining homochirality from biased symmetry‐breaking of self‐assembly in achiral molecules remains a great challenge due to the lack of ingenious strategies and controlling their handedness. Here, we report the first case of biased symmetry breaking from achiral platinum (II) liquid crystals which self‐organize into an enantiomerically enriched single domain without selection of handedness in twist grain boundary TGB [*] phase. Most importantly, the chiral control of self‐organization can be achieved by using above the homochiral liquid crystal films with determined handedness (P or M) as a template. Moreover, benefiting from self‐assembled superhelix, these complexes exhibit prominent circularly polarized luminescence with high |glum| up to 3.4×10−3 in the TGB [*] mesophase. This work paves a neoteric avenue for the development of chiral self‐assemblies from achiral molecules.
Drop‐Casting to Make Efficient Perovskite Solar Cells under High Humidity
Authors: Zuo Chuantian , Ding Liming 
Published: March 2021

AbstractDrop‐casting was used to make MAPbI3 films for solar cells. The crystal growth in drop‐cast MAPbI3 films was regulated by adjusting temperature. A mechanism for the formation of different morphology was proposed by combining in situ crystal‐growth study with XRD measurements. The crystals in the films made at low temperature (60 °C) and high temperature (≥120 °C) are (110) and (200) oriented, respectively. The different crystal growth mode leads to quite different film morphology. Compared with spin‐coating, drop‐casting shows much better tolerance to humidity. MAPbI3 solar cells made under 88 % humidity delivered a PCE of 18.17 %, which is the highest PCE for perovskite solar cells made under >70 % humidity without antisolvent assistance.
Structural Basis for Pore Blockade of the Human Cardiac Sodium Channel Nav1.5 by the Antiarrhythmic Drug Quinidine**
Authors: Li Zhangqiang , Jin Xueqin , Wu Tong , Huang Gaoxingyu , Wu Kun , Lei Jianlin , Pan Xiaojing , Yan Nieng 
Published: March 2021

AbstractNav1.5, the primary voltage‐gated Na+ (Nav) channel in heart, is a major target for class I antiarrhythmic agents. Here we present the cryo‐EM structure of full‐length human Nav1.5 bound to quinidine, a class Ia antiarrhythmic drug, at 3.3 Å resolution. Quinidine is positioned right beneath the selectivity filter in the pore domain and coordinated by residues from repeats I, III, and IV. Pore blockade by quinidine is achieved through both direct obstruction of the ion permeation path and induced rotation of an invariant Tyr residue that tightens the intracellular gate. Structural comparison with a truncated rat Nav1.5 in the presence of flecainide, a class Ic agent, reveals distinct binding poses for the two antiarrhythmics within the pore domain. Our work reported here, along with previous studies, reveals the molecular basis for the mechanism of action of class I antiarrhythmic drugs.
Time‐Resolved and Comprehensive Analysis of Surface Glycoproteins Reveals Distinct Responses of Monocytes and Macrophages to Bacterial Infection
Authors: Suttapitugsakul Suttipong , Tong Ming , Wu Ronghu 
Published: March 2021

AbstractGlycoproteins on the surface of immune cells play extremely important roles in response to pathogens. Yet, a systematic and time‐resolved investigation of surface glycoproteins during the immune response remains to be explored. Integrating selective enrichment of surface glycoproteins with multiplexed proteomics, we globally and site‐specifically quantified the dynamics of surface glycoproteins on THP‐1 monocytes and macrophages in response to bacterial infection and during the monocyte‐to‐macrophage differentiation. The time‐resolved analysis reveals transient changes and differential remodeling of surface glycoproteins on both cell types, and potential upstream regulators and downstream effects of the regulated glycoproteins. Besides, we identified novel surface glycoproteins participating in the immune response such as APMAP, and site‐specific changes of glycoproteins. This study provides unprecedented information to deepen our understanding of glycoproteins and cellular activities.
In Vivo Subcellular Mass Spectrometry Enables Proteo‐Metabolomic Single‐Cell Systems Biology in a Chordate Embryo Developing to a Normally Behaving Tadpole (X. laevis)**
Authors: Lombard‐Banek Camille , Li Jie , Portero Erika P. , Onjiko Rosemary M. , Singer Chase D. , Plotnick David O. , Al Shabeeb Reem Q. , Nemes Peter 
Published: March 2021

AbstractWe report the development of in vivo subcellular high‐resolution mass spectrometry (HRMS) for proteo‐metabolomic molecular systems biology in complex tissues. With light microscopy, we identified the left‐dorsal and left‐ventral animal cells in cleavage‐stage non‐sentient Xenopus laevis embryos. Using precision‐translated fabricated microcapillaries, the subcellular content of each cell was double‐probed, each time swiftly (<5 s/event) aspirating <5 % of cell volume (≈10 nL). The proteins and metabolites were analyzed by home‐built ultrasensitive capillary electrophoresis electrospray ionization employing orbitrap or time‐of‐flight HRMS. Label‐free detection of ≈150 metabolites (57 identified) and 738 proteins found proteo‐metabolomic networks with differential quantitative activities between the cell types. With spatially and temporally scalable sampling, the technology preserved the integrity of the analyzed cells, the neighboring cells, and the embryo. 95 % of the analyzed embryos developed into sentient tadpoles that were indistinguishable from their wild‐type siblings based on anatomy and visual function in a background color preference assay.
[Sn8]6−‐Bridged Mixed‐Valence ZnI/ZnIIin {[K2ZnSn8(ZnMes)]2}4−Inverse Sandwich‐Type Cluster Supported by a ZnI−ZnIBond
Authors: Xu Hong‐Lei , Tkachenko Nikolay V. , Muñoz‐Castro Alvaro , Boldyrev Alexander I. , Sun Zhong‐Ming 
Published: March 2021

AbstractSince [Sn8]6−was discovered from the solid‐state phase in 2000, its solution chemistry has been elusive due to the high charges and chemical activity. Herein, we report the synthesis and characterization of an inverse sandwich‐type cluster dimer {[K2ZnSn8(ZnMes)]2}4−(1 a), in which the highly charged [Sn8]6−is captured by mixed‐valence ZnI/ZnIIto form the dimer {closo‐[Zn2Sn8]}2moieties bridged by a Zn‐Zn bond. Such Zn‐Sn cluster not only exhibits a novel example of mixed‐valence ZnI/ZnIIfor stabilizing highly active anion species, but also indicates the [Sn8]6−cluster can act as a novel bridging ligand, like arene, with a η4:η4‐fashion. Theoretical calculations indicate that a significant delocalization of electrons over Zn atoms plays a vital role in the stabilization of the [Sn8]6−species. The AdNDP and magnetic response analyses clearly showed the presence of local σ‐aromaticity in three cluster fragments: two ZnSn4caps and Sn8square antiprism.
Design and mechanism of controllable respiration polyamideamine‐epichlorohydrin modied sugarcane bagasse pith hemicellulose film
Authors: Guo Xin , Ma Zhiyu , Wang Haisong , Lv Yanna 
Published: March 2021

AbstractThe major challenge in hemicellulose blend films for food packaging is to overcome the inferior wet strength and hydrophilic properties of hemicellulose‐based films. Inspired by the principle of wet strength of paper, novel bio‐based packaging film with high barrier and strength properties was designed via bagasse pith hemicellulose as main substrate materials and polyamideamine‐epichlorohydrin (PAE) as strengthening agent. The chemical characterization showed that the mechanical and barrier properties of the blend films were found to be strongly dependent upon the amount of PAE added in the films. Compared with the film without PAE, the tensile strength of PAE‐containing film with optimal amount of 1% PAE increased by 100.25%, the water vapor permeability decreased by 23.25%, and the oxygen permeability decreased by 87.18%. The results showed that the new ester bond formed between PAE and hemicellulose caused the more excellent mechanical and barrier properties of films.
Study on char reinforcing of different inorganic fillers for expandable fire resistance silicone rubber
Authors: Yu Jiangjiang , Hong Ling , Qu Linlin 
Published: March 2021

AbstractSodium silicate monohydrate (NSH), glass frits (GF) and aluminum hydroxide (ATH) were incorporated into room temperature vulcanized (RTV) silicone rubber (SR) as char reinforcing materials to improve the fire resistance of intumescent flame retardant silicone rubber. SR composites containing only intumescent flame retardant such as phosphorus nitrogen composite flame retardant (NH2‐C) and expandable graphite (EG) were used as comparison samples. Limiting oxygen index (LOI) test, vertical burning test (UL‐94), flame resistance test, scanning electron microscopy (SEM) and X‐ray diffraction spectroscopy tests, as well as volume variation and compression strength of char residues were used to discuss the effects of the above‐mentioned fillers on the fire resistance, char residue strength and char integrity of SR composites. The results showed that SR composite filled with only intumescent flame retardants EG and NH2‐C had excellent flame retardancy. After adding ATH, the char residue was relatively dense and had good compressive strength, but its thermal insulation performance was reduced. GF or NSH reduced the flame retardancy of SR composites, but it obviously played a role in binding combustion residues, forming new crystals and improving the stability of char residues.
Replication study of ADOS‐2 Toddler Module cut‐off scores for autism spectrum disorder classification
Authors: Hong Ji Su , Singh Vini , Kalb Luke , Ashkar Ahlam , Landa Rebecca 
Published: March 2021

AbstractThe Autism Diagnostic Observation Schedule, Second Edition (ADOS‐2) has been regarded as the gold standard assessment of autism spectrum disorder (ASD). While clinical validity of ADOS‐2 Modules 1–4 have been extensively studied, there has been very limited research examining the clinical validity of ADOS‐2 Toddler Module. The goal of this study was to examine alignment of the ADOS‐2 Toddler Module classification with clinicians' determination of ASD, with assessing cut‐off scores for diagnosing ASD in toddlers. A total of 412 toddlers ages 12–30 months who received ADOS‐2 Toddler Module as well as a best estimate clinical (BEC) diagnosis, were included in this study. ADOS‐2 Toddler Module cut‐off scores were determined using the appropriate algorithms (Algorithm 1 for toddlers aged 12–20 months and those aged 21–30 months with <5 words, Algorithm 2 for toddlers aged 21–30 months with 5 words or more). Receiver operating characteristic (ROC) curves were used to assess cut‐off scores that optimized sensitivity and specificity when compared against BEC diagnosis. The selected cut‐off scores were examined using frequency tables to compare ADOS‐2 classification against BEC diagnosis. For Algorithm 1, classification statistics were optimized at the cut‐off score of 12 with an area under the curve (AUC) of 0.92. For Algorithm 2, classification statistics were optimized at the cut‐off score of 10 with an AUC of 0.96. The ADOS‐2 Toddler Module classification is strongly aligned with BEC diagnosis. The optimal cut‐off scores identified in the current study reflect the same results configured by the prior study.Lay SummaryADOS‐2 Toddler Module has been widely used for the ASD assessment, but there have been limited research on its clinical validity. This study is the first replication of the ADOS‐2 Toddler Module with a large independent sample. We examined alignment of the ADOS‐2 Toddler Module classification with clinicians' determination of ASD, with assessing cut‐off scores, and confirmed the clinical validity of ADOS‐2 Toddler Module. Cut‐off scores of ADOS‐2 Toddler Module cited in the manual yielded best clinical utility for diagnosing ASD in toddlers.
Evidence‐based use of scalable biomarkers to increase diagnostic efficiency and decrease the lifetime costs of autism
Authors: Frazier Thomas W. , Coury Daniel L. , Sohl Kristin , Wagner Kayla E. , Uhlig Richard , Hicks Steven D. , Middleton Frank A. 
Published: March 2021

AbstractChallenges associated with the current screening and diagnostic process for autism spectrum disorder (ASD) in the US cause a significant delay in the initiation of evidence‐based interventions at an early age when treatments are most effective. The present study shows how implementing a second‐order diagnostic measure to high risk cases initially flagged positive from screening tools can further inform clinical judgment and substantially improve early identification. We use two example measures for the purposes of this demonstration; a saliva test and eye‐tracking technology, both scalable and easy‐to‐implement biomarkers recently introduced in ASD research. Results of the current cost‐savings analysis indicate that lifetime societal cost savings in special education, medical and residential care are estimated to be nearly $580,000 per ASD child, with annual cost savings in education exceeding $13.3 billion, and annual cost savings in medical and residential care exceeding $23.8 billion (of these, nearly $11.2 billion are attributable to Medicaid). These savings total more than $37 billion/year in societal savings in the US. Initiating appropriate interventions faster and reducing the number of unnecessary diagnostic evaluations can decrease the lifetime costs of ASD to society. We demonstrate the value of implementing a scalable highly accurate diagnostic in terms of cost savings to the US.Lay SummaryThis paper demonstrates how biomarkers with high accuracy for detecting autism spectrum disorder (ASD) could be used to increase the efficiency of early diagnosis. Results also show that, if more children with ASD are identified early and referred for early intervention services, the system would realize substantial costs savings across the lifespan.
Accuracy and uniformity of the nomenclature of biogenic amines and polyamines in metabolomics studies: A preliminary study
Authors: Akyol Omer , Tessier Kylie , Akyol Sumeyya 
Published: March 2021

AbstractMetabolomics is one of the newest areas in biochemistry dedicated to investigating small biomolecules in biofluids, tissues, and cells. Cutting edge instruments used in metabolomics studies make it possible to identify thousands of biomolecules and determine their interactions with biological networks. This tremendous area has increased the significance of accurate chemical nomenclature of compounds. Therefore, the classification of the organic molecules has become one of the most important issues in the field. Biogenic amines are nitrogenous compounds of low molecular weight formed by the decarboxylation of amino acids or by the amination and the transamination of aldehydes and ketones during normal metabolic processes. This letter covers the topic of nomenclature with respect to the current usage of biogenic amines in scientific literature. We use metabolomics as an example of field reporting data on trace levels of molecules that may be miscategorized in primary literature. We suggest that the incorrect classification of molecules will influence science education adversely because resources used for teaching are drawn from primary literature references that may contain errors.
Phytochemical Investigations and In Vitro Bioactivity Screening on Melia azedarach L. Leaves Extract from Nepal
Authors: Shrestha Shyam Sharan , Ferrarese Irene , Sut Stefania , Zengin Gokhan , Grana Sara , Ak Gunes , Pant Deepak Raj , Dall'Acqua Stefano , Rajbhandary Sangeeta 
Published: March 2021

AbstractMelia azedarach is a common tree used in the traditional medicine of Nepal. In this work, leaves were considered as source of bioactive constituents and composition of methanol extract was evaluated and compared with starting plant material. Flavonoid glycosides and limonoids were identified and quantified by HPLC‐DAD‐MSn approaches in dried leaves and methanolic extract, while HPLC‐APCI‐MSn and GC/MS analysis were used to study phytosterol and lipid compositions. β‐Sitosterol and rutin were the most abundant constituents. HPLC‐APCI‐MSn and HPLC‐DAD‐MSn analysis revealed high levels of phytosterols and flavonoids in methanolic extract accounting 9.6 and 7.5 % on the dried weight, respectively. On the other hand, HPLC/MSn data revealed that limonoid constituents were in minor amount in the extract <0.1 %, compared with leaves (0.7 %) indicating that degradation occurred during extraction or concentration procedures. The methanol extract was subjected to different bioassays, and antioxidant activity was evaluated. Limited inhibitory activity on acetyl and butyryl cholinesterase, as well as on amylase were detected. Moreover, tyrosinase inhibition was significant resulting in 131.57±0.51 mg kojic acid equivalents/g of dried methanol extract, suggesting possible use of this M. azedarach extract in skin hyperpigmentation conditions. Moderate cytotoxic activity, with IC50 of 26.4 μg/mL was observed against human ovarian cancer cell lines (2008 cells). Our findings indicate that the Nepalese M. azedarach leaves can be considered as valuable starting material for the extraction of phenolics and phytosterols, yielding extracts with possible cosmetic and pharmaceutical applications.
Effect of particle size and processing method on starch and protein digestibility of navy bean flour
Authors: Byars Jeffrey A. , Singh Mukti , Kenar James A. , Felker Frederick C. , Winkler‐Moser Jill K. 
Published: March 2021

AbstractBackground and objectivesIntact cotyledon cells in pulses are known to limit the access of digestive enzymes and to decrease starch digestibility. The objective of this study was to study the effect of the cells on starch and protein digestibility and raffinose family oligosaccharide (RFO) extraction. The in vitro starch and protein digestion and RFO extraction in 80% ethanol were studied for roasted, baked, and cooked navy bean flour fractions having large (297–500 µm), medium (74–297 µm), and small (<74 µm) particle sizes.FindingsThe starch digestibility and protein digestibility were highest for the smallest particle size flour. The digestibility was lowest for roasted flours and highest for cooked flours. Intact cotyledon cells did not affect RFO extraction.ConclusionsThe in vitro protein digestibility increased as the particle size of the navy bean flour decreased for the three fractions that had been roasted, baked, or cooked.Significance and noveltyThis is the first study showing that navy bean flours with different particle sizes have different in vitro protein digestibility. The effect on nutrient availability should be considered when selecting pulse flours for food applications.
Electrochemical Characterization of Fe(II) Complexation Reactions at an Electrified Micro Liquid‐Liquid Interface
Authors: Jiang Qi , Reader Heather E. , Stockmann Talia Jane 
Published: March 2021

AbstractPhytoplankton growth in the open ocean is critical to carbon fixation and often limited by low iron concentrations. Owing to its low solubility, phytoplankton employ ligands for iron uptake; therefore, ligand binding characterization is important. Herein, a micro immiscible liquid/liquid interface was employed with four ligands through an electrochemically induced facilitated ion‐transfer process. Ligands 1,10‐phenathroline (phen), 1‐nitroso‐2‐naphthol (N2N), 2‐(2‐thiazolylazo)‐p‐cresol (TAC), and salicylaldoxime (SAL), where tested using established facilitated ion‐transfer thermodynamics combined with differential pulse voltammetry. Three metal ion/ligand binding stoichiometries were observed for Fe2+:phen, whereas only one was observed with Fe2+with SAL, N2N, and TAC. Overall binding constants were calculated such that binding strengths can be ranked highest to lowest as phen>N2N>TAC>SAL. Additionally, the formal ion transfer for Fe2+(0.66 V) for an aqueous/1,2‐dichloroethane interface was also determined.
Yellow nutsedge control with sequential applications of sulfentrazone and sulfentrazone pre‐mixtures within maintained turfgrass
Authors: de Castro Edicarlos B. , McCurdy James D. 
Published: March 2021

Core Ideas
Field studies compared a sequential application of herbicides for yellow nutsedge control.
Halosulfuron, imazaquin, or sulfosulfuron controlled yellow nutsedge.
Sulfentrazone herbicide applied sequentially provided comparable yellow nutsedge control.
Beyond Pseudo‐natural Products: Sequential Ugi/Pictet‐Spengler Reactions Leading to Steroidal Pyrazinoisoquinolines That Trigger Caspase‐Independent Death in HepG2 Cells
Authors: Alonso Fernando , Galilea Agustín , Mañez Pau Arroyo , Acebedo Sofía L. , Cabrera Gabriela M. , Otero Marcelo , Barquero Andrea A. , Ramírez Javier A. 
Published: March 2021

AbstractIn this work, we describe how stereochemically complex polycyclic compounds can be generated by applying a synthetic sequence comprising an intramolecular Ugi reaction followed by a Pictet‐Spengler cyclization on steroid‐derived scaffolds. The resulting compounds, which combine a fragment derived from a natural product and a scaffold not found in nature. are both structurally distinct and globally similar to natural products at the same time, and interrogate an alternative region of the chemical space. One of the new compounds showed significant antiproliferative activity on HepG2 cells through a caspase‐independent cell‐death mechanism, an appealing feature when new antitumor compounds are searched.