bluuebunny/crossref_metadata_2025_split huggingface dataset:
Copper‐Catalyzed Addition of Diboron Species
Authors: Parra Alejandro , Trulli Laura , Tortosa Mariola 
Published: January 2020

Abstract
Boronic acids and derivatives are highly versatile intermediates in synthetic chemistry. The development of modern borylation reactions has contributed to the emergence of boronic acid derivatives as a popular class of reagents. In recent years, catalytic borylation reactions have gained significant attention due to their efficiency, selectivity, and functional group compatibility. In this context, copper‐catalyzed borylations have become a powerful new tool for introducing boronic esters into organic molecules. The lower price and toxicity of copper versus other transition metals and the unique reactivity of the copper‐boryl intermediates make these processes particularly attractive. In this chapter, we will offer an overview of the most important copper‐catalyzed borylation reactions that involve addition of a copper(I)‐boryl complex to a π‐bond.
Control of Astrocyte Quiescence and Activation in a Synthetic Brain Hydrogel
Authors: Galarza Sualyneth , Crosby Alfred J. , Pak ChangHui , Peyton Shelly R. 
Published: January 2020

AbstractBioengineers have designed numerous instructive brain extracellular matrix (ECM) environments with tailored and tunable protein compositions and biomechanical properties in vitro to study astrocyte reactivity during trauma and inflammation. However, a major limitation of both protein‐based and synthetic model microenvironments is that astrocytes within fail to retain their characteristic stellate morphology and quiescent state without becoming activated under “normal” culture conditions. Here, a synthetic hydrogel is introduced, which for the first time demonstrates maintenance of astrocyte quiescence and activation on demand. With this synthetic brain hydrogel, the brain‐specific integrin‐binding and matrix metalloprotease‐degradable domains of proteins are shown to control astrocyte star‐shaped morphologies, and an ECM condition that maintains astrocyte quiescence with minimal activation can be achieved. In addition, activation can be induced in a dose‐dependent manner via both defined cytokine cocktails and low molecular weight hyaluronic acid. This synthetic brain hydrogel is envisioned as a new tool to study the physiological role of astrocytes in health and disease.
Promising and Eco‐Friendly Cu2X‐Based Thermoelectric Materials: Progress and Applications
Authors: Liu Wei‐Di , Yang Lei , Chen Zhi‐Gang , Zou Jin 
Published: January 2020

AbstractDue to the nature of their liquid‐like behavior and high dimensionless figure of merit, Cu2X (X = Te, Se, and S)‐based thermoelectric materials have attracted extensive attention. The superionicity and Cu disorder at the high temperature can dramatically affect the electronic structure of Cu2X and in turn result in temperature‐dependent carrier‐transport properties. Here, the effective strategies in enhancing the thermoelectric performance of Cu2X‐based thermoelectric materials are summarized, in which the proper optimization of carrier concentration and minimization of the lattice thermal conductivity are the main focus. Then, the stabilities, mechanical properties, and module assembly of Cu2X‐based thermoelectric materials are investigated. Finally, the future directions for further improving the energy conversion efficiency of Cu2X‐based thermoelectric materials are highlighted.
Light‐Responsive Colloidal Crystals Engineered with DNA
Authors: Zhu Jinghan , Lin Haixin , Kim Youngeun , Yang Muwen , Skakuj Kacper , Du Jingshan S. , Lee Byeongdu , Schatz George C. , Van Duyne Richard P. , Mirkin Chad A. 
Published: January 2020

AbstractA novel method for synthesizing and photopatterning colloidal crystals via light‐responsive DNA is developed. These crystals are composed of 10–30 nm gold nanoparticles interconnected with azobenzene‐modified DNA strands. The photoisomerization of the azobenzene molecules leads to reversible assembly and disassembly of the base‐centered cubic (bcc) and face‐centered cubic (fcc) crystalline nanoparticle lattices. In addition, UV light is used as a trigger to selectively remove nanoparticles on centimeter‐scale thin films of colloidal crystals, allowing them to be photopatterned into preconceived shapes. The design of the azobenzene‐modified linking DNA is critical and involves complementary strands, with azobenzene moieties deliberately staggered between the bases that define the complementary code. This results in a tunable wavelength‐dependent melting temperature (Tm) window (4.5–15 °C) and one suitable for affecting the desired transformations. In addition to the isomeric state of the azobenzene groups, the size of the particles can be used to modulate the Tm window over which these structures are light‐responsive.
A Cobalt‐Free Multi‐Phase Nanocomposite as Near‐Ideal Cathode of Intermediate‐Temperature Solid Oxide Fuel Cells Developed by Smart Self‐Assembly
Authors: Song Yufei , Chen Yubo , Xu Meigui , Wang Wei , Zhang Yuan , Yang Guangming , Ran Ran , Zhou Wei , Shao Zongping 
Published: January 2020

AbstractAn ideal solid oxide fuel cell (SOFC) cathode should meet multiple requirements, i.e., high activity for oxygen reduction reaction (ORR), good conductivity, favorable stability, and sound thermo‐mechanical/chemical compatibility with electrolyte, while it is very challenging to achieve all these requirements based on a single‐phase material. Herein, a cost‐effective multi‐phase nanocomposite, facilely synthesized through smart self‐assembly at high temperature, is developed as a near‐ideal cathode of intermediate‐temperature SOFCs, showing high ORR activity (an area‐specific resistance of ≈0.028 Ω cm2 and a power output of 1208 mW cm−2 at 650 °C), affordable conductivity (21.5 S cm−1 at 650 °C), favorable stability (560 h operation in single cell), excellent chemical compatibility with Sm0.2Ce0.8O1.9 electrolyte, and reduced thermal expansion coefficient (≈16.8 × 10−6 K−1). Such a nanocomposite (Sr0.9Ce0.1Fe0.8Ni0.2O3–δ) is composed of a single perovskite main phase (77.2 wt%), a Ruddlesden–Popper (RP) second phase (13.3 wt%), and surface‐decorated NiO (5.8 wt%) and CeO2 (3.7 wt%) minor phases. The RP phase promotes the oxygen bulk diffusion while NiO and CeO2 nanoparticles facilitate the oxygen surface process and O2− migration from the surface to the main phase, respectively. The strong interaction between four phases in nanodomain creates a synergistic effect, leading to the superior ORR activity.
Strategies for Designing Stretchable Strain Sensors and Conductors
Authors: Wu Shuying , Peng Shuhua , Yu Yuyan , Wang Chun‐Hui 
Published: January 2020

AbstractFlexible and stretchable electronics are attracting tremendous attention for their enormous future potential in wearable technologies. Flexible and stretchable sensors and conductors are the key components of wearable devices for potential applications such as human motion detection, human health monitoring, and human–machine interfaces. One critical requirement for them is to show high level of wearability (bendability and stretchability) and meanwhile to retain their functionality and reliability under large mechanical deformation. To this end, a wide range of materials and structural designs are developed to construct these sensors and conductors. Here, the recent advances in the development of new piezoresistive materials and microstructural motifs that endow electronics with flexibility and stretchability are summarized. Challenges and future opportunities are discussed in terms of the multimodal and multidirectional sensing capabilities, the trade‐off between sensitivity/conductivity and stretchability, multifunctionality, linearity (multiple linear region phenomenon), and integration with flexible power and communication devices.
Eco‐Friendly Spray Deposition of Perovskite Films on Macroscale Textured Surfaces
Authors: Sansoni Simone , De Bastiani Michele , Aydin Erkan , Ugur Esma , Isikgor Furkan Halis , Al‐Zahrani Areej , Lamberti Francesco , Laquai Frederic , Meneghetti Moreno , De Wolf Stefaan 
Published: January 2020

AbstractAn innovative sequential eco‐friendly spray coating (SEF‐SC) technique is developed to uniformly deposit metal halide perovskite films on macroscale textured surfaces, such as textured crystalline‐silicon wafers. Contrasting with previous work on spray‐coated perovskite solar cells, the method presented in this work completely avoids the use of toxic and dangerous solvents. Both MAPbI3 and CsFAMAPbI3−xBrx perovskite films deposited by SEF‐SC show excellent optoelectronic properties and no phase segregation, even when synthesized in ambient conditions. Uniform perovskite coatings are obtained on textured‐silicon heterojunction solar cells underlining the promise of this method, which holds the potential for scalable wet processing of perovskites on rough substrates, such as for low‐cost perovskite/silicon tandem solar cell fabrication.
Waterproof Flexible InP@ZnSeS Quantum Dot Light‐Emitting Diode
Authors: Shin Dong‐Wook , Suh Yo‐Han , Lee Sanghyo , Hou Bo , Han Soo Deok , Cho Yuljae , Fan Xiang‐Bing , Bang Sang Yun , Zhan Shijie , Yang Jiajie , Choi Hyung Woo , Jung Sungmin , Mocanu Felix C. , Lee Hanleem , Occhipinti Luigi , Chun Young Tea , Amaratunga Gehan , Kim Jong Min 
Published: January 2020

AbstractThe development of flexible displays for wearable electronics applications has created demand for high‐performance quantum dot (QD) light‐emitting diodes (QLEDs) based on QD core@shell structures. Emerging indium phosphide (InP)‐based core@shell QDs show promise as lighting material in the field of optoelectronics because they are environmentally friendly material, can be produced in a cost‐effective manner, and are capable of tunable emission. While efforts have been made to enhance the performance of InP‐based QLED, the stabilities of InP@ZnSeS QDs film and InP@ZnSeS‐based QLED in water/air are not yet fully understood, limiting their practical applications. Herein, a highly durable, flexible InP@ZnSeS QLED encapsulated in an ultrathin film of CYTOP, a solution‐based amorphous fluoropolymer, is demonstrated. The CYTOP‐encapsulated green flexible QLED shows an external quantum efficiency (EQE) of 0.904% and a high luminescence of 1593 cd m−2 as well as outstanding waterproof performance. The flexible device emits strong luminescence after being immersed in water for ≈20 min. Even when subjected to continuous tensile stress with a 5 mm bending radius, the high luminescence is preserved. This waterproof architecture can be a promising strategy for wearable electronics applications.
Multi‐Layer Feature Selection Incorporating Weighted Score‐Based Expert Knowledge toward Modeling Materials with Targeted Properties
Authors: Liu Yue , Wu Jun‐Ming , Avdeev Maxim , Shi Si‐Qi 
Published: January 2020

AbstractSelecting proper descriptors or features is one of the central problems in exploring structure–activity relationships of materials using machine learning models. The current feature selection algorithms usually require tedious hyperparameter tuning and do not actively consider the prior knowledge of domain experts about the features. Here, this work proposes a data‐driven multi‐layer feature selection method incorporating domain expert knowledge named DML‐FSdek, which is automated, with users entering training data without manual tuning of the hyperparameters. The domain expert knowledge is quantified by means of weighted scoring and integrated into the selection process to eliminate the risk of crucial features being removed. The test studies on ten material properties datasets demonstrate the potential of the approach to automatically search for a reduced feature set with lower root mean square errors than those for the initial feature set. Essentially, the most relevant material features, the number of which is much smaller than that in the original feature set, are automatically selected to establish a closer and more accurate structure–activity relationship for the materials of interest. As a result, the method represents the targeted properties of materials with a smaller and more interpretable set of features while ensuring equal or better prediction accuracy.
Electronic Transport Inhibiting of Carbon Nanotubes by 5f Elements
Authors: Wang Jia , Gong Kui , Lu Feifei , Xie Weiyu , Zhu Yu , Wang Zhigang 
Published: January 2020

AbstractBased on the combination of the non‐equilibrium Green's function and density functional theory, a theoretical method for studying the transport behavior of high angular momentum 5f electrons is developed and the transport properties of the structure for actinide atoms embedded in carbon nanotubes (An@CNTs, An = Ac, Th, Pa and U) is reported. Results show that An@CNTs have lower transmission coefficients than that of CNTs. Furthermore, electrical bias to the U@(4, 4)/(5, 5) CNTs induces an additional transition spectral peak, which demonstrates that the U@(4, 4)/(5, 5) CNTs has a lower resistance. Therefore, 5f electrons of actinide atoms inhibit the electronic transport of CNTs. These findings may provide fresh insight into the transport properties of systems having higher angular momentum electrons.
Tackling Challenges in Seebeck Coefficient Measurement of Ultra‐High Resistance Samples with an AC Technique
Authors: Pan Zhenyu , Zhu Zheng , Wilcox Jonathon , Urban Jeffrey J. , Yang Fan , Wang Heng 
Published: January 2020

AbstractSeebeck coefficient is a widely studied semiconductor property. Conventional Seebeck coefficient measurements are based on DC voltage measurement. Normally this is performed on samples with moderate resistances (e.g., below a few MΩ level). Certain semiconductors are intrinsic and highly resistive. Many examples can be found in optical and photovoltaic materials. The hybrid halide perovskites that have gained extensive attention recently are a good example. Despite great attention from the materials and physics communities, few successful studies exist of the Seebeck coefficient of these compounds, for example CH3NH3PbI3. An AC‐technique‐based Seebeck coefficient measurement is reported, which makes high‐quality Seebeck voltage measurements on samples with resistances up to the 100 GΩ level. This is achieved through a specifically designed setup to enhance sample isolation and increase capacitive impedance. As a demonstration, Seebeck coefficient measurement of a CH3NH3PbI3 thin film is performed at dark, with sample resistance 150 GΩ, and found S = +550 µV K−1. The strategy reported could be applied to the studies of fundamental transport parameters of all intrinsic semiconductors that have not been feasible.
A Disquisition on the Active Sites of Heterogeneous Catalysts for Electrochemical Reduction of CO2 to Value‐Added Chemicals and Fuel
Authors: Daiyan Rahman , Saputera Wibawa Hendra , Masood Hassan , Leverett Josh , Lu Xunyu , Amal Rose 
Published: January 2020

AbstractRenewable‐electricity‐powered electrocatalytic CO2 reduction reactions (CO2RR) have been identified as an emerging technology to address the issue of rising CO2 emissions in the atmosphere. While the CO2RR has been demonstrated to be technically feasible, further improvements in catalyst performance through active sites engineering are a prerequisite to accelerate its commercial feasibility for utilization in large CO2‐emitting industrial sources. Over the years, the improved understanding of the interaction of CO2 with the active sites has allowed superior catalyst design and subsequent attainment of prominent CO2RR activity in literature. This review tracks the evolution of the understanding of CO2RR active sites on different electrocatalysts such as metals, metal‐oxides, single atoms, metal‐carbon, and subsequently metal‐free carbon‐based catalysts. Despite the tremendous research efforts in the field, many scientific questions on the role of various active sites in governing CO2RR activity, selectivity, stability, and pathways are still unanswered. These gaps in knowledge are highlighted and a discussion is set forth on the merits of utilizing advanced in‐situ and operando characterization techniques and machine learning (ML). Using this technique, the underlying mechanisms can be discerned, and as a result new strategies for designing active sites may be uncovered. Finally, this review advocates an interdisciplinary approach to discover and design CO2RR active sites (rather than focusing merely on catalyst activity) in a bid to stimulate practical research for industrial application.
Formation and Fate of Formaldehyde in Methanol‐to‐Hydrocarbon Reaction: In Situ Synchrotron Radiation Photoionization Mass Spectrometry Study
Authors: Wen Wu , Yu Shengsheng , Zhou Chaoqun , Ma Hao , Zhou Zhongyue , Cao Chuangchuang , Yang Jiuzhong , Xu Minggao , Qi Fei , Zhang Guobin , Pan Yang 
Published: January 2020

AbstractHCHO has been confirmed as an active intermediate in the methanol‐to‐hydrocarbon (MTH) reaction, and is critical for interpreting the mechanisms of coke formation. Here, HCHO was detected and quantified during the MTH process over HSAPO‐34 and HZSM‐5 by in situ synchrotron radiation photoionization mass spectrometry. Compared with conventional methods, excellent time‐resolved profiles were obtained to study the formation and fate of HCHO, and other products during the induction, steady‐state reaction, and deactivation periods. Similar formation trends of HCHO and methane, and their close correlation in yields suggest that they are derived from disproportionation of methanol at acidic sites. In the presence of Y2O3, the amount of HCHO changes, affecting the hydrogen‐transfer processes of olefins into aromatics and aromatics into cokes. The yield of HCHO affects the aromatic‐based cycle and the formation of ethylene, indicating that ethylene is mainly formed from the aromatic‐based cycle.
Characterization and anti‐acute T cell leukemia properties of silver nanoparticles synthesized by a green approach for bioremediation applications: Introducing a new chemotherapeutic drug for clinical trial studies
Authors: Ahmeda Ahmad , Zangeneh Akram , Zangeneh Mohammad Mahdi 
Published: January 2020

In recent years, biosynthesis of silver nanoparticles using plant extracts and bioactive compounds has gained much attention. Green synthesis of nanoparticles is eco‐friendly, cost‐effective, and is a promising substitute for the chemical synthesis of silver nanoparticles. Also, the previous experiments have revealed that plants raise the cytotoxicity potentials of silver nanoparticles against several cell lines especially tumor cell lines. The present study confirms the potential of aqueous extract of Glycyrrhiza glabra L leaf grown under in vitro condition for the biosynthesis of silver nanoparticles (AgNPs). Also, in this study, we revealed the antioxidant and anti‐acute T cell leukemia properties of AgNPs against J45.01, Jurkat, Clone E6–1, J.CaM1.6, and J.RT3‐T3.5 cell lines. Silver nanoparticles were characterized and analyzed using common nanotechnology techniques including UV–Vis. and FT‐IR spectroscopy, TEM, and FE‐SEM. DPPH free radical scavenging test was carried out to assess the antioxidant potentials of AgNO3, G. glabra, and AgNPs. MTT assay was used on normal cell line (HUVEC) and acute T cell leukemia cell lines (J45.01, Jurkat, Clone E6–1, J.CaM1.6, and J.RT3‐T3.5) for analyzing of anti‐acute T cell leukemia properties of AgNO3, G. glabra, and AgNPs. FT‐IR analysis revealed antioxidant compounds in the nanoparticles were the sources of reducing power, reducing silver ions to AgNPs. TEM and FE‐SEM images indicated a uniform spherical morphology in size of 20 nm for silver nanoparticles. DPPH test indicated similar antioxidant activities for G. glabra, AgNPs, and butylated hydroxytoluene. Silver nanoparticles had very low cell viability dose‐dependently against J45.01, Jurkat, Clone E6–1, J.CaM1.6, and J.RT3‐T3.5 cell lines without any cytotoxicity on HUVEC cell line. The best result of cytotoxicity property of AgNPs against above cell lines was seen in the case of J.CaM1.6 cell line. Above findings confirm the significant antioxidant and anti‐acute T cell leukemia properties of AgNPs. After confirming these results in clinical trial studies, AgNPs can be used as a chemotherapeutic drug for the treatment of acute T cell leukemia in human.
Observability of probabilistic Boolean multiplex networks
Authors: Liu Fengqiu , Cui Yuxin , Wang Jianmin , Ji Donghai 
Published: January 2020

AbstractThis study focuses on the observability of the probabilistic Boolean multiplex network. Firstly, the dynamical model and structure of probabilistic Boolean multiplex network are proposed. Using the semi‐tensor product method, the logical dynamics of probabilistic Boolean multiplex network is converted into an equivalent algebraic representation. Then, the condition for the observability of probabilistic Boolean multiplex network is obtained. Finally, the proposed result is effectively illustrated by a numerical example.
Comparative pharmacokinetics and tissue distribution of cryptotanshinone, tanshinone IIA, dihydrotanshinone I, and tanshinone I after oral administration of pure tanshinones and liposoluble extract of Salvia miltiorrhiza to rats
Authors: Wang Daifei , Yu Weibang , Cao Lin , Xu Chuncao , Tan Guoyao , Zhao Zhongxiang , Huang Min , Jin Jing 
Published: January 2020

AbstractSalvia miltiorrhiza is one of the most commonly used traditional Chinese medicines in the treatment of cardiovascular and cerebrovascular diseases. Cryptotanshinone (CTS), tanshinone IIA (Tan IIA), dihydrotanshinone I (diTan I), and tanshinone I (Tan I) are the main active compounds in the liposoluble extract of Salvia miltiorrhiza. The differences in the pharmacokinetic and tissue distribution behaviors of the four tanshinones after oral administration of the liposoluble extract of Salvia miltiorrhiza and pure compounds are not clear. This study aims to compare the pharmacokinetics and tissue distribution of the four tanshinones after oral administration of pure tanshinone monomers and the liposoluble extract of Salvia miltiorrhiza. An ultra‐performance liquid chromatography–tandem mass spectrometry (UPLC–MS/MS) analysis method was developed for the determination of the four tanshinones. The results showed that the AUC and Cmax of tanshinones in rats receiving the extract of Salvia miltiorrhiza were significantly increased compared with those receiving the pure tanshinones. In the tissue distribution experiments, the AUC of the four tanshinones in the extract was much greater than the AUC of the monomers in the lung, heart, kidney, liver, and brain, and the coexisting constituents particularly promoted the distribution of tanshinones into tissues that the drug cannot sufficiently penetrate. These findings suggested that the coexisting constituents in the liposoluble extract of Salvia miltiorrhiza play an important role in the alteration of plasma concentration and tissue distribution of the four tanshinones. Understanding these differences could be of significance for the development and application of Salvia miltiorrhiza extract and tanshinone components.