bluuebunny/crossref_metadata_2025_split huggingface dataset:
XBi4S7 (X = Mn, Fe): New Cost‐Efficient Layered n‐Type Thermoelectric Sulfides with Ultralow Thermal Conductivity
Authors: Labégorre Jean‐Baptiste , Virfeu Agathe , Bourhim Abdelhamid , Willeman Héloïse , Barbier Tristan , Appert Florian , Juraszek Jean , Malaman Bernard , Huguenot Arthur , Gautier Régis , Nassif Vivian , Lemoine Pierric , Prestipino Carmelo , Elkaim Erik , Pautrot‐d'Alençon Lauriane , Le Mercier Thierry , Maignan Antoine , Al Rahal Al Orabi Rabih , Guilmeau Emmanuel 
Published: September 2019

AbstractA new class of cost‐efficient n‐type thermoelectric sulfides with a layered structure is reported, namely MnBi4S7 and FeBi4S7. Theoretical calculations combined with synchrotron X‐ray/neutron diffraction analyses reveal the origin of their electronic and thermal properties. The complex low‐symmetry monoclinic crystal structure generates an electronic band structure with a mixture of heavy and light bands near the conduction band edge, as well as vibrational properties favorable for high thermoelectric performance. The low thermal conductivity can be attributed to the complex layered crystal structure and to the existence of the lone pair of electrons in Bi3+. This feature combined with the relatively high power factor lead to a figure of merit as high as 0.21 (700 K) in undoped MnBi4S7, making this material a promising n‐type candidate for low‐ and intermediate‐temperature thermoelectric applications.
Encoding and Decoding of Invisible Complex Information in a Dual‐Response Bilayer Photonic Crystal with Tunable Wettability
Authors: Qi Yong , Niu Wenbin , Zhang Shufen , Wu Suli , Chu Lin , Ma Wei , Tang Bingtao 
Published: September 2019

AbstractCombining responsive colloidal photonic crystals into invisible wettability patterns is important in steganography and watermarking for information encoding and decoding. Using a bilayer photonic crystal as a regionally functionalized porous carrier, a dual‐responsive surface with tunable wettability, reversible switching between wetting and no wetting, and responsivity to pressure and solvents are reported. The mechanism of the design involves reversible switching of micropore shapes and optical diffraction in the fabricated periodic nanostructures, and uses the infiltration and capillary evaporation of fluids to realize the spectral diversity of reflectance. It generates different invisible wettability patterns that are regulated by induced pressure and the Donnan equilibrium osmotic pressure. Immersion of the sample in water induces the varying degrees of infiltration and immediately displays multiple colors. It enables instantaneously transparentizing the full infiltration parts of the top layer and simultaneously releasing the reflected light of the corresponding bottom layer. Moreover, those invisible patterns can be reset by wiping with ethanol. Multiple ways to encode and reveal invisible complex information can easily be realized due to these characteristics. This work opens a new avenue for encoding complex information in a single material platform and extends the design approach of invisible patterns for information coding.
Materials Stiffness‐Dependent Redox Metabolic Reprogramming of Mesenchymal Stem Cells for Secretome‐Based Therapeutic Angiogenesis
Authors: Yang Haibo , Cheam Nicole Mein Ji , Cao Huan , Lee Melissa Kao Hui , Sze Siu Kwan , Tan Nguan Soon , Tay Chor Yong 
Published: September 2019

AbstractCellular redox metabolism has emerged as a key tenet in stem cell biology that can profoundly influence the paracrine activity and therapeutic efficacy of mesenchymal stem cells (MSCs). Although the use of materials cues to direct the differentiation of MSCs has been widely investigated, little is known regarding the role of materials in the control of redox paracrine signaling in MSCs. Herein, using a series of mechanically tunable fibronectin‐conjugated polyacrylamide (FN‐PAAm) hydrogel substrates, it is shown that a mechanically compliant microenvironment with native‐tissue mimicking stiffness (E = 0.15 kPa) can mechano‐regulate the intracellular reactive oxygen species (ROS) level in human adipose‐derived MSCs (ADMSCs). The cells reciprocate to the ROS imbalance by co‐activating the nuclear factor erythroid 2–related factor 2 and hypoxia‐inducible factor 1 alpha stress response signaling pathways to increase the production of vascular endothelial growth factor and basic fibroblast growth factor. Conditioned medium collected from ADMSCs grown on the 0.15 kPa FN‐PAAm is found to significantly promote in vitro and ex ovo vascularization events. Collectively, these findings highlight the importance of delineating critical materials properties that can enable the reprogramming of cellular redox signaling for advanced MSCs‐based secretome regenerative medicine.
Strong and Tunable Electrical Anisotropy in Type‐II Weyl Semimetal Candidate WP2 with Broken Inversion Symmetry
Authors: Su Bo , Song Yanpeng , Hou Yanhui , Chen Xu , Zhao Jianzhou , Ma Yongchang , Yang Yang , Guo Jiangang , Luo Jianlin , Chen Zhi‐Guo 
Published: September 2019

AbstractA transition metal diphosphide, WP2, is a candidate for type‐II Weyl semimetals (WSMs) in which spatial inversion symmetry is broken and Lorentz invariance is violated. As one of the prerequisites for the presence of the WSM state in WP2, spatial inversion symmetry breaking in this compound has rarely been investigated. Furthermore, the anisotropy of the WP2 electrical properties and whether its electrical anisotropy can be tuned remain elusive. Angle‐resolved polarized Raman spectroscopy, electrical transport, optical spectroscopy, and first‐principle studies of WP2 are reported. The energies of the observed Raman‐active phonons and the angle dependences of the detected phonon intensities are consistent with results obtained by first‐principle calculations and analysis of the proposed crystal symmetry without spatial inversion, showing that spatial inversion symmetry is broken in WP2. Moreover, the measured ratio (Rc
/Ra
) between the crystalline c‐axis and a‐axis electrical resistivities exhibits a weak dependence on temperature (T) in the temperature range from 100 to 250 K, but increases abruptly at T ≤ 100 K, and then reaches the value of ≈8.0 at T = 10 K, which is by far the strongest in‐plane electrical resistivity anisotropy among the reported type‐II WSM candidates with comparable carrier concentrations. Optical spectroscopy study, together with the first‐principle calculations on the electronic band structure, reveals that the abrupt enhancement of the electrical resistivity anisotropy at T ≤ 100 K mainly arises from a sharp increase in the scattering rate anisotropy at low temperatures. More interestingly, the Rc
/Ra
of WP2 at T = 10 K can be tuned from 8.0 to 10.6 as the magnetic field increases from 0 to 9 T. The so‐far‐strongest and magnetic‐field‐tunable electrical resistivity anisotropy found in WP2 can serve as a degree of freedom for tuning the electrical properties of type‐II WSMs, which paves the way for the development of novel electronic applications based on type‐II WSMs.
Aminosilane‐Modified CuGaO2 Nanoparticles Incorporated with CuSCN as a Hole‐Transport Layer for Efficient and Stable Perovskite Solar Cells
Authors: Lee Byungho , Yun Alan Jiwan , Kim Jinhyun , Gil Bumjin , Shin Byungha , Park Byungwoo 
Published: September 2019

AbstractHerein, solution‐processible inorganic hole‐transport layer (HTL) of a perovskite solar cell that consists of CuGaO2 nanoparticles and CuSCN, which leads to an improved device performance as well as long‐term stability, is reported. Uniform films of CuGaO2 are prepared by first treating CuGaO2 nanoparticles with aminosilane that leads to well‐dispersed CuGaO2 solution, followed by spin‐coating of the suspension. Subsequent spin‐coating of CuSCN solution onto the CuGaO2 forms a smooth HTL with excellent coverage and electrical conductivity. Comparing to the reference device with CuSCN HTL, the CuGaO2/CuSCN device improves carrier extraction and reduces trap density by ≈40%, as measured by photoluminescence and capacitance analysis. Excellent thermal stability is also demonstrated: ≈80% of the initial efficiency of the perovskite solar cells with the CuGaO2/CuSCN HTL is retained after 400 h under 85 °C/85% relative humidity environment.
Spin‐to‐Orbital Angular Momentum Conversion with Quasi‐Continuous Spatial Phase Response
Authors: Wang He , Li Yongfeng , Chen Hongya , Shen Yang , Yang Zetian , Wang Jiafu , Zhang Jieqiu , Ding Meng , Zhang Anxue , Cui Tiejun , Qu Shaobo 
Published: September 2019

AbstractVortex beams carrying orbital angular momentum have captivated great interest in the past few decades due to the inspiring application potential in both optical and microwave fields. More recently, assisted by Pancharatnam–Berry (PB) phase‐based meta‐atom, achieving spin–orbit‐converter becomes an encouraging topic. Commonly, however, spin–orbital‐converters are based on discontinuous phase distribution, which inevitably deteriorates their overall performance. To overcome this difficulty, here a paradigm of spin–orbital‐converter made of spirally arranged metastrip that can produce quasi‐continuously rotated phase profile with high‐efficiency is simulated and experimentally demonstrated in microwave regime. Using dispersion engineering, a meta‐atom capable of exciting spoof surface plasmon polaritons mode is designed to achieve PB phases. The metastrip consisting of a series of identical meta‐atoms is arranged along a proposed Archimedean spiral to obtain the rotated phase distribution of 4π. Near‐field performances reveal that the vortex electric distribution with topological charges of l = ± 2 can be generated. Significantly, this effort provides a strategy of achieving spin‐to‐orbital angular momentum conversion with phase continuity that may find applications in the fields of holography and communication systems.
Highly Efficient UV–Visible Photocatalyst from Monolithic 3D Titania/Graphene Quantum Dot Heterostructure Linked by Aminosilane
Authors: Yoon Hyewon , Lee Kisung , Kim Hyojung , Park Minsu , Novak Travis G. , Hyun Gayea , Jeong Mun Seok , Jeon Seokwoo 
Published: September 2019

AbstractAs rapidly growing environmental pollution demands the development of efficient photocatalytic materials, tremendous attention has been drawn to TiO2, a widely used photocatalytic material with cost‐effectiveness, stability, and outstanding reactivity. To maximize its photocatalytic efficiency by enhancing the photogenerated charge separation, lowering the intrinsically large bandgap (3.2 eV) of TiO2 is a key problem to be overcome. Herein, a new design is reported for an efficient photocatalyst realized by heterostructuring a 3D nanostructured TiO2 monolith (3D TiO2) and graphene quantum dots (GQDs) through using 3‐aminopropyltriethoxysilane (APTES) as a linker. The incorporation of APTES between the TiO2/GQD interface enables the formation of a charge injection‐type heterostructure, as confirmed by transient absorption spectroscopy, providing improvement of both visible absorption and charge separation. As a result, the heterostructure exhibits a 242% enhanced photocatalytic performance compared to that of nonheterostructured 3D TiO2 under visible irradiation, demonstrating its promising potential for practical photocatalytic applications in environmental remediation.
Recent Advances in Particulate Adjuvants for Cancer Vaccination
Authors: Song Cui , Li Feng , Wang Shuang , Wang Jianghua , Wei Wei , Ma Guanghui 
Published: September 2019

AbstractBy activating/stimulating antigen‐presenting cells (APCs) and efficiently inducing humoral or cellular immune responses, particulate adjuvants have become one of the most ambitious and promising strategies in cancer vaccination. A large number of materials have been studied for their use as particulate adjuvants, including inorganic materials, polymeric materials, liposomes, emulsions, and exosomes. According to their unique physicochemical properties, these particulate adjuvants mainly work in three aspects: antigen delivery, APC activation, and antigen cross‐presentation, and they show great promise in various antitumor applications. This progress report highlights the recent advances in the study of particulate adjuvants, ranging from their materials, functions, and physicochemical properties to their applications in cancer vaccination.
Ballistic Quantum Transport of Sub‐10 nm 2D Sb2Te2Se Transistors
Authors: Qu Hengze , Zhou Wenhan , Guo Shiying , Li Zhi , Wang Yangyang , Zhang Shengli 
Published: September 2019

Abstract2D materials, due to their ultrathin dangling‐bond‐free configuration and excellent electrostatic control, have potential as possible Si‐alternative building blocks for future competitive devices. Exploring 2D electronic materials with suitable band gap and high mobility is key to designing ultra‐scaled devices. The electronic properties and device performance of sub‐10 nm 2D Sb2Te2Se are studied by ab initio quantum‐transport simulations. The results show that 2D Sb2Te2Se, a stable system, possesses an indirect bandgap of 1.01 eV and high electron mobility exceeding 103 cm2 V−1 s−1. Through comparing with the ballistic quantum transports of Sb2Te2Se, the n‐metal‐oxide‐semiconductor field‐effect transistor (MOSFET) exhibits better device performance than p‐MOSFET. In particular, not only can the on‐current of n‐MOSFET with gate length Lg = 9 nm reach as high as 1660 µA µm−1, but its other figures of merit including gate capacity (0.72 fF µm−1), delay time (0.31 ps), and power dissipation (0.37 fJ µm−1) also satisfy the International Technology Roadmap for Semiconductors 2020 requirements. Therefore, 2D Sb2Te2Se could become a potential electronic material for next‐generation nanodevices.
Polymer‐in‐“Quasi‐Ionic Liquid” Electrolytes for High‐Voltage Lithium Metal Batteries
Authors: Wu Haiping , Xu Yaobin , Ren Xiaodi , Liu Bin , Engelhard Mark H. , Ding Michael S. , El‐Khoury Patrick Z. , Zhang Linchao , Li Qiuyan , Xu Kang , Wang Chongmin , Zhang Ji‐Guang , Xu Wu 
Published: September 2019

AbstractDue to the limited oxidation stability (<4 V) of ether oxygen in its polymer structure, polyethylene oxide (PEO)‐based polymer electrolytes are not compatible with high‐voltage (>4 V) cathodes, thus hinder further increases in the energy density of lithium (Li) metal batteries (LMBs). Here, a new type of polymer‐in‐“quasi‐ionic liquid” electrolyte is designed, which reduces the electron density on ethereal oxygens in PEO and ether solvent molecules, induces the formation of stable interfacial layers on both surfaces of the LiNi1/3Mn1/3Co1/3O2 (NMC) cathode and the Li metal anode in Li||NMC batteries, and results in a capacity retention of 88.4%, 86.7%, and 79.2% after 300 cycles with a charge cutoff voltage of 4.2, 4.3, and 4.4 V for the LMBs, respectively. Therefore, the use of “quasi‐ionic liquids” is a promising approach to design new polymer electrolytes for high‐voltage and high‐specific‐energy LMBs.
Conversion of a Fleeting Open‐Shell Iron Nitride into an Iron Nitrosyl
Authors: Chang Hao‐Ching , Lin Yen‐Hao , Werlé Christophe , Neese Frank , Lee Way‐Zen , Bill Eckhard , Ye Shengfa 
Published: September 2019

AbstractTerminal metal nitrides have been proposed as key intermediates in a series of pivotal chemical transformations. However, exploring the chemical activity of transient tetragonal iron(V) nitrides is largely impeded by their facile dimerization in fluid solutions. Herein, in situ EPR and Mössbauer investigations are presented of unprecedented oxygenation of a paramagnetic iron(V) nitrido intermediate, [FeVN(cyclam‐ac)]+ (2, cyclam‐ac−=1,4,8,11‐tetraazacyclotetradecane‐1‐acetate anion), yielding an iron nitrosyl complex, [Fe(NO)(cyclam‐ac)]+ (3). Further theoretical studies suggest that during the reaction a closed‐shell singlet O atom is transferred to 2. Consequently, the N−O bond formation does not follow a radical coupling mechanism proposed for the N−N bond formation but is accomplished by three mutual electron‐transfer pathways between 2 and the O atom donor, thanks to the ambiphilic nature of 2.
Simulated sandwich enzyme‐linked immunosorbent assay for a cost‐effective investigation of natural and engineered cellular signaling pathways
Authors: Jaschke Paul R. 
Published: September 2019

AbstractThe ability to separate, identify, and quantify proteins from complex mixtures are key foundational methods across biochemistry teaching and research. In particular, enzyme‐linked immunosorbent assay (ELISA) is an important technique that is used to measure antigen concentrations in both industry and academia. There are four categories of ELISA, direct, indirect, competitive, and sandwich, each with their own applications. Sandwich ELISAs are used to determine antigen concentrations from complex mixtures of protein, such as a cell lysates, and are regularly used as medical diagnostics to diagnose illness and diseases ranging from hepatitis to celiac disease. One major problem with teaching the sandwich ELISA technique to students is the prohibitive cost due to the need to coat a 96‐well plate with a capture antibody. One solution to this problem would be to significantly reduce the role of each student in the lab, but this does not adequately prepare students to perform the procedure in a research or industry lab. Instead, this laboratory exercise teaches students the procedural knowledge needed to perform a direct sandwich ELISA, but uses a simulated experience performed within a wet‐lab environment. The presented scenario is the analysis of phosphorylated proteins within a synthetic signaling pathway, but because the lab uses simulated samples, it can be tailored to different topics and educational aims. The procedure is 10‐ to 26‐fold less expensive per student to deploy than an authentic sandwich ELISA. Students in the course report that the ELISA lab significantly strengthened the connection between theory and practice. © 2019 International Union of Biochemistry and Molecular Biology, 48(1):67–73, 2020.
Design and Construction of Aroyl‐Hydrazone Derivatives: Synthesis, Crystal Structure, Molecular Docking and Their Biological Activities
Authors: Kumari Pratibha , Ansari Shagufi Naz , Kumar Ravi , Saini Anoop Kumar , Mobin Shaikh M. 
Published: September 2019

AbstractHere, we report the synthesis and characterization of four new aroyl‐hydrazone derivatives L1–L4, and their structural as well as biological activities have been explored. In addition to docking with bovine serum albumin (BSA) and duplex DNA, the experimental results demonstrate the effective binding of L1–L4 with BSA protein and calf thymus DNA (ct‐DNA) which is in agreement with the docking results. Further biological activities of L1–L4 have been examined through molecular docking with different proteins which are involved in the propagation of viral or cancer diseases. L1 shows best binding affinity with influenza A virus polymerase PB2 subunit (2VY7) with binding energy −11.42 kcal/mol and inhibition constant 4.23 nm, whereas L2 strongly bind with the hepatitis C virus NS5B polymerase (2WCX) with binding energy −10.47 kcal/mol and inhibition constant 21.06 nm. Ligand L3 binds strongly with TGF‐beta receptor 1 (3FAA) and L4 with cancer‐related EphA2 protein kinases (1MQB) with binding energy −10.61 kcal/mol, −10.02 kcal/mol and inhibition constant 16.67 nm and 45.41 nm, respectively. The binding energies of L1–L4 are comparable with binding energies of their proven inhibitors. L1, L3 and L4 can be considered as both 3FAA and 1MQB dual targeting anticancer agents, while L1 and L3 are both 2VY7 and 2WCX dual targeting antiviral agents. On the other side, L2 and L4 target only one virus related target (2WCX). Furthermore, the geometry optimizations of L1–L4 were performed via density functional theory (DFT). Moreover, all four ligands (L1–L4) were characterized by NMR, FT‐IR, ESI‐MS, elemental analysis and their molecular structures were validated by single crystal X‐ray diffraction studies.
Exploring Battery‐Type ZnO/ZnFe2O4 Spheres‐3D Graphene Electrodes for Supercapacitor Applications: Advantage of Yolk−Shell over Solid Structures
Authors: Jhajharia Suman Kumari , Manappadan Zinoy , Selvaraj Kaliaperumal 
Published: September 2019

AbstractRecently, a ZnO/ZnFe2O4 composite has been reported to be a promising material for energy storage, owing to its large specific capacity and good redox activity. However, due to the inability to accommodate its strong volumetric variations during operation, it fails to retain its capacitance, which remains as a significant hitch. Herein, we present our attempt towards solving this through a binder‐free electrode design comprising a porous yolk−shell ZnO/ZnFe2O4 composite matrixed inside a 3D network of graphene, which, in turn, is grown on Ni foam. The design exhibits a four‐fold increase in its specific capacitance, yielding 1334 F g−1 (specific capacity of 370.5 mAh g−1) at a current density of 0.5 A g−1 in comparison to that of the ZnO/ZnFe2O4 electrodes (309 F g−1 (85.8 mAh g−1) at 0.5 A g−1) comprising solid metal oxide spheres. The major advantage of the design is the well‐defined yolk−shell architecture that provides free space for volume expansion during long cycling processes and channels for ionic transportation; whereas, the conductive 3D graphene network and porous Ni foam facilitate electronic conduction. The availability of free space in yolk−shell sphere electrodes facilitates the capacitance retention of up to 80 % beyond 5000 cycles at a current density of 1 A g−1, which is in contrast to the capacitance retained by the solid spheres of only approximately 60 %. These results directly demonstrate the significant consequence of the yolk−shell architecture‐based binder‐free design and its promising potential in high‐performing supercapacitors and batteries.
Continuous‐Flow Hydrogenation and Reductive Deuteration of Nitriles: a Simple Access to α,α‐Dideutero Amines
Authors: Mészáros Rebeka , Peng Bai‐Jing , Ötvös Sándor B. , Yang Shyh‐Chyun , Fülöp Ferenc 
Published: September 2019

AbstractA simple and efficient continuous flow methodology has been developed for hydrogenation and reductive deuteration of nitriles to yield primary amines and also valuable α,α‐dideutero analogues. Raney nickel proved to be a useful catalyst for the transformation of a wide range of nitriles under reasonably mild conditions with excellent deuterium incorporation (>90 %) and quantitative conversion. Among known model compounds, three new deuterated primary amines were prepared. The large‐scale synthesis of deuterated tryptamine was also carried out to deliver 1.1 g product under flow conditions.