bluuebunny/crossref_metadata_2025_split huggingface dataset:
Materials, Mechanics Designs, and Bioresorbable Multisensor Platforms for Pressure Monitoring in the Intracranial Space
Authors: Yang Quansan , Lee Seungae , Xue Yeguang , Yan Ying , Liu Tzu‐Li , Kang Seung‐Kyun , Lee Yung Jong , Lee Seok Hwan , Seo Min‐Ho , Lu Di , Koo Jahyun , MacEwan Matthew R. , Yin Rose T. , Ray Wilson Z. , Huang Yonggang , Rogers John A. 
Published: March 2020

AbstractPressures in the intracranial, intraocular, and intravascular spaces are important parameters in assessing patients with a range of conditions, of particular relevance to those recovering from injuries or from surgical procedures. Compared with conventional devices, sensors that disappear by natural processes of bioresorption offer advantages in this context, by eliminating the costs and risks associated with retrieval. A class of bioresorbable pressure sensor that is capable of operational lifetimes as long as several weeks and physical lifetimes as short as several months, as combined metrics that represent improvements over recently reported alternatives, is presented. Key advances include the use of 1) membranes of monocrystalline silicon and blends of natural wax materials to encapsulate the devices across their top surfaces and perimeter edge regions, respectively, 2) mechanical architectures to yield stable operation as the encapsulation materials dissolve and disappear, and 3) additional sensors to detect the onset of penetration of biofluids into the active sensing areas. Studies that involve monitoring of intracranial pressures in rat models over periods of up to 3 weeks demonstrate levels of performance that match those of nonresorbable clinical standards. Many of the concepts reported here have broad applicability to other classes of bioresorbable technologies.
The Structural Origins of Wood Cell Wall Toughness
Authors: Maaß Mona‐Christin , Saleh Salimeh , Militz Holger , Volkert Cynthia A. 
Published: March 2020

AbstractThe remarkable mechanical stability of wood is primarily attributed to the hierarchical fibrous arrangement of the polymeric components. While the mechanisms by which fibrous cell structure and cellulose microfibril arrangements lend stiffness and strength to wood have been intensively studied, the structural origins of the relatively high splitting fracture toughness remain unclear. This study relates cellulose microfibril arrangements to splitting fracture toughness in pine wood cell walls using in situ electron microscopy and reveals a previously unknown toughening mechanism: the specific arrangement of cellulose microfibrils in the cell wall deflects cracks from the S2 layer to the S1/S2 interface, and, once there, causes the crack to be repetitively arrested and shunted along the interface in a zig‐zag path. It is suggested that this natural adaptation of wood to achieve tough interfaces and then deflect and trap cracks at them can be generalized to provide design guidelines to improve toughness of high‐performance and renewable engineering materials.
Dopant‐Free Organic Hole‐Transporting Material for Efficient and Stable Inverted All‐Inorganic and Hybrid Perovskite Solar Cells
Authors: Jiang Kui , Wang Jing , Wu Fei , Xue Qifan , Yao Qin , Zhang Jianquan , Chen Yihuang , Zhang Guangye , Zhu Zonglong , Yan He , Zhu Linna , Yip Hin‐Lap 
Published: March 2020

AbstractDesigning new hole‐transporting materials (HTMs) with desired chemical, electrical, and electronic properties is critical to realize efficient and stable inverted perovskite solar cells (PVSCs) with a p–i–n structure. Herein, the synthesis of a novel 3D small molecule named TPE‐S and its application as an HTM in PVSCs are shown. The all‐inorganic inverted PVSCs made using TPE‐S, processed without any dopant or post‐treatment, are highly efficient and stable. Compared to control devices based on the commonly used HTM, PEDOT:PSS, devices based on TPE‐S exhibit improved optoelectronic properties, more favorable interfacial energetics, and reduced recombination due to an improved trap passivation effect. As a result, the all‐inorganic CsPbI2Br PVSCs based on TPE‐S demonstrate a remarkable efficiency of 15.4% along with excellent stability, which is the one of the highest reported values for inverted all‐inorganic PVSCs. Meanwhile, the TPE‐S layer can also be generally used to improve the performance of organic/inorganic hybrid inverted PVSCs, which show an outstanding power conversation efficiency of 21.0%, approaching the highest reported efficiency for inverted PVSCs. This work highlights the great potential of TPE‐S as a simple and general dopant‐free HTM for different types of high‐performance PVSCs.
Efficient Nicotinamide Adenine Dinucleotide Phosphate [NADP(H)] Recycling in Closed‐Loop Continuous Flow Biocatalysis
Authors: Baumer Benedikt , Classen Thomas , Pohl Martina , Pietruszka Jörg 
Published: March 2020

AbstractBiocatalytic redox reactions regularly depend on expensive cofactors that require recycling. For continuous conversions in flow chemistry, this is often an obstacle since the cofactor is washed away. Here, we present a quasi‐stationary recycling system for nicotinamide adenine dinucleotide phosphate utilizing an immobilized alcohol dehydrogenase. Four model substrates were reduced with high enantioselectivity as a proof of concept. The two‐phase system enables continuous production as well as quick substrate changes. This setup may serve as a general cofactor regeneration module for continuous biocatalytic devices employing (co‐)substrates being miscible in organic solvent. The system resulted in space‐time yields up to 117 g L−1 h−1 and total turnover numbers for nicotinamide adenine dinucleotide phosphate higher than 12,000 mol/mol are possible.magnified image
Ultrathin Few‐Layer GeP Nanosheets via Lithiation‐Assisted Chemical Exfoliation and Their Application in Sodium Storage
Authors: Yang Fuhua , Hong Jian , Hao Junnan , Zhang Shilin , Liang Gemeng , Long Jun , Liu Yuqing , Liu Nana , Pang Wei Kong , Chen Jun , Guo Zaiping 
Published: March 2020

AbstractUltrathin few‐layer materials have attracted intensive research attention because of their distinctive and unique properties. Few‐layer GeP (FL‐GP) is potentially interesting for application in electronics and optoelectronics because of its appropriate band gap and good stability under ambient conditions. Nevertheless, it is a challenge to achieve ultrathin few‐layer or single layer GeP from exfoliation of bulk crystals. Here, a lithiation‐assisted chemical exfoliation technique is employed to achieve FL‐GP, in which the interlayer spacing can be efficiently enlarged after a preliminary lithium ion intercalation, allowing the bulk crystal to be readily exfoliated in a following ultrasonication. As a result, ultrathin FL‐GP is obtained. In a demonstration, the FL‐GP/reduced graphene oxide (rGO) demonstrates remarkable sodium storage performance. The FL‐GP with a two‐dimensional structure shortens the ion transport pathways and alleviates the volume variation during sodiation. Meanwhile, the rGO in the composite improves the conductivity of the whole electrode. The as‐prepared FL‐GP/rGO electrode exhibits a high capacity of 504.2 mAh g−1 at 100 mA g−1, remarkable rate performance, and superior cycling stability in the half cells. FL‐GP/rGO//Na3V2(PO4)3 full cells are also assembled and demonstrated satisfactory electrochemical performance, indicating potential application of the as‐prepared anode materials.
Rural Victorian service provider responses to the National Disability Insurance Scheme
Authors: Quilliam Claire , Bourke Lisa 
Published: March 2020

AbstractThe National Disability Insurance Scheme (NDIS) has transformed the nature of funding available to health and human service organisations to provide services to people with disability in Australia. However, there is relatively scant literature on the rural implementation of the NDIS, particularly how rural NDIS service providers are affected by the NDIS. Researchers conducted semi‐structured interviews with 20 health professionals employed by rural providers, and analysed data using rural and remote health and organisational change frameworks to understand how rural providers were impacted by and responded to the NDIS. The findings suggest rural providers were impacted to differing extents and responded to the NDIS in different ways. Participants reported that disability and community health services were affected more than hospitals and private allied health practices. Impacted rural providers responded by changing the nature and types of services, service processes and their workforce, and redefining organisational characteristics. Impacted rural providers may require additional support to continue providing services, and those less impacted may require other incentives to better engage with the NDIS. Rural proofing of NDIS policy could reveal suitable supports and incentives to ensure rural people with disability can access required services.
Migratory Hydrogenation of Terminal Alkynes by Base/Cobalt Relay Catalysis
Authors: Liu Xufang , Liu Bingxue , Liu Qiang 
Published: March 2020

AbstractMigratory functionalization of alkenes has emerged as a powerful strategy to achieve functionalization at a distal position to the original reactive site on a hydrocarbon chain. However, an analogous protocol for alkyne substrates is yet to be developed. Herein, a base and cobalt relay catalytic process for the selective synthesis of (Z)‐2‐alkenes and conjugated E alkenes by migratory hydrogenation of terminal alkynes is disclosed. Mechanistic studies support a relay catalytic process involving a sequential base‐catalyzed isomerization of terminal alkynes and cobalt‐catalyzed hydrogenation of either 2‐alkynes or conjugated diene intermediates. Notably, this practical non‐noble metal catalytic system enables efficient control of the chemo‐, regio‐, and stereoselectivity of this transformation.
Bridged Stilbenes: AIEgens Designed via a Simple Strategy to Control the Non‐radiative Decay Pathway
Authors: Iwai Riki , Suzuki Satoshi , Sasaki Shunsuke , Sairi Amir Sharidan , Igawa Kazunobu , Suenobu Tomoyoshi , Morokuma Keiji , Konishi Gen‐ichi 
Published: March 2020

AbstractTo broaden the application of aggregation‐induced emission (AIE) luminogens (AIEgens), the design of novel small‐molecular dyes that exhibit high fluorescence quantum yield (Φfl) in the solid state is required. Considering that the mechanism of AIE can be rationalized based on steric avoidance of non‐radiative decay pathways, a series of bridged stilbenes was designed, and their non‐radiative decay pathways were investigated theoretically. Bridged stilbenes with short alkyl chains exhibited a strong fluorescence emission in solution and in the solid state, while bridged stilbenes with long alkyl chains exhibited AIE. Based on this theoretical prediction, we developed the bridged stilbenes BPST[7] and DPB[7], which demonstrate excellent AIE behavior.
Enzyme‐Instructed Assemblies Enable Mitochondria Localization of Histone H2B in Cancer Cells
Authors: He Hongjian , Guo Jiaqi , Lin Xinyi , Xu Bing 
Published: March 2020

AbstractPresently, little is known of how the inter‐organelle crosstalk impacts cancer cells owing to the lack of approaches that can manipulate inter‐organelle communication in cancer cells. We found that a negatively charged, enzyme cleavable peptide (MitoFlag) enables the trafficking of histone protein H2B, a nuclear protein, to the mitochondria in cancer cells. MitoFlag interacts with the nuclear location sequence of H2B to block it from entering the nucleus. A protease on the mitochondria cleaves the Flag from the MitoFlag/H2B complex to form assemblies that retain H2B on the mitochondria and facilitate H2B entering the mitochondria. Adding NLS, replacing aspartic acid by glutamic acid residues, or changing the l‐ to d‐aspartic acid residue on MitoFlag abolishes the trafficking of H2B into mitochondria of HeLa cells. As the first example of the enzyme‐instructed self‐assembly of a synthetic peptide for trafficking endogenous proteins, this work provides insights for understanding and manipulating inter‐organelle communication in cells.
Synthesis of Polybenzoacenes: Annulative Dimerization of Phenylene Triflate by Twofold C−H Activation
Authors: Uryu Mizuho , Hiraga Taito , Koga Yoshito , Saito Yutaro , Murakami Kei , Itami Kenichiro 
Published: March 2020

AbstractPolycyclic aromatic hydrocarbons (PAHs) represent an emerging class of π‐conjugated molecules in the area of optoelectronic devices and materials. Unprecedented synthetic routes to various PAHs from simple phenol derivatives by a palladium‐catalyzed annulative dimerization of phenylene triflate through twofold inter‐ and intramolecular C−H activation have been established. The initially formed partially fused PAHs can be smoothly transformed into a variety of fully fused PAHs by the Scholl reaction. Furthermore, the reactions of phenanthrene‐substituted aryl triflates proceeded regioselectively. The findings inspired the development of a rapid and efficient synthesis of polybenzoacene derivatives. This study not only allows transformation of phenyl triflates, but also discloses a new retrosynthetic strategy towards PAHs, especially polybenzoacenes.
From C1 to C3: Copper‐Catalyzed gem‐Bis(trifluoromethyl)olefination of α‐Diazo Esters with TMSCF3
Authors: Wang Qian , Ni Chuanfa , Hu Mingyou , Xie Qiqiang , Liu Qinghe , Pan Shitao , Hu Jinbo 
Published: March 2020

AbstractA Cu‐catalyzed gem‐bis(trifluoromethyl)olefination of α‐diazo esters, using TMSCF3 as the only fluorocarbon source, has been developed and provides an exquisite method to access gem‐bis(trifluoromethyl)alkenes. This unprecedented olefination process involves a carbene migratory insertion into “CuCF3” to generate the α‐CF3‐substituted organocopper species, which then undergoes β‐fluoride elimination and two consecutive addition‐elimination processes to give the desired products. The key to this efficient one‐pot C1‐to‐C3 synthetic protocol lies in the controllable double (over single and triple) trifluoromethylations of the gem‐difluoroalkene intermediates.
Three‐Pronged Attack by Homologous Far‐red/NIR AIEgens to Achieve 1+1+1>3 Synergistic Enhanced Photodynamic Therapy
Authors: Xu Wenhan , Lee Michelle M. S. , Nie Jing‐Jun , Zhang Zhihan , Kwok Ryan T. K. , Lam Jacky W. Y. , Xu Fu‐Jian , Wang Dong , Tang Ben Zhong 
Published: March 2020

AbstractPhotodynamic therapy (PDT) has long been shown to be a powerful therapeutic modality for cancer. However, PDT is undiversified and has become stereotyped in recent years. Exploration of distinctive PDT methods is thus highly in demand but remains a severe challenge. Herein, an unprecedented 1+1+1>3 synergistic strategy is proposed and validated for the first time. Three homologous luminogens with aggregation‐induced emission (AIE) characteristics were rationally designed based on a simple backbone. Through slight structural tuning, these far‐red/near‐infrared AIE luminogens are capable of specifically anchoring to mitochondria, cell membrane, and lysosome, and effectively generating reactive oxygen species (ROS). Notably, biological studies demonstrated combined usage of three AIE photosensitizers gives multiple ROS sources simultaneously derived from several organelles, which gives superior therapeutic effect than that from a single organelle at the same photosensitizers concentration. This strategy is conceptually and operationally simple, providing an innovative approach and renewed awareness of improving therapeutic effect through three‐pronged PDT.
Pyridinium‐Substituted Tetraphenylethylenes Functionalized with Alkyl Chains as Autophagy Modulators for Cancer Therapy
Authors: Huang Yanyan , You Xue , Wang Lingna , Zhang Guanxin , Gui Shilang , Jin Yulong , Zhao Rui , Zhang Deqing 
Published: March 2020

AbstractTuning autophagy in a controlled manner could facilitate cancer therapy but it remains challenging. Pyridinium‐substituted tetraphenylethylene salts (PTPE1—3), able to target mitochondria and disrupt autophagy after forming complexes with albumin, are reported. Mitochondrion affinity and autophagy‐inducing activity are improved by prolonging the length of alkyl chains in PTPE1–3. PTPE1–3demonstrate proautophagic activity and a mitophagy blockage effect. Failure of autophagosome–lysosome fusion in downstream autophagy flux results in cancer cell death. Moreover, fast formation of complexes of PTPE1–3with albumin in blood can facilitate biomimetic delivery and deep tumor penetration. Efficient tumor accumulation and effective tumor suppression are successfully demonstrated with in vitro and in vivo studies. PTPE1–3salts exhibit dual functionality: they target and image mitochondria because of aggregation‐induced emission effects and they are promising for cancer therapy.
Preparation and evaluation of composites containing polypropylene and cotton gin trash
Authors: Ge Changfeng , Cheng Huai N. , Miri Massoud J. , Hailstone Richard K. , Francis Johnathan B. , Demyttenaere Shao M. , Alharbi Najat A. 
Published: March 2020

AbstractComposites of polypropylene (PP) and cotton gin trash (GT) were prepared to enhance the utilization of agro‐based materials in industrial products. GT was modified by two methods: toluene washed only, and toluene washed and treated with maleic anhydride‐grafted polypropylene (MAPP). These GT samples were extruded with PP, including MAPP and ethylene/vinyl acetate copolymer in various weight ratios (32 composites total). The PP composites displayed tensile strengths close to that of the neat PP, and exhibited higher values of tensile modulus and lower elongation at break than the neat PP. Based on DSC measurements, the PP composites containing 10 wt% GT exhibited two crystalline regimes, while those containing 20 wt% GT were similar in crystallinity to that of the neat PP. The composites were also characterized using SEM, TGA, water absorption tests, and contact angle measurements. These composites represent a more sustainable alternative to neat, fossil fuel‐based PP.
Methylene‐bearing sulfur‐containing cyanopyrimidine derivatives for treatment of cancer: Part‐II
Authors: Akhtar Wasim , Nainwal Lalit M. , Kaushik Sumit K. , Akhtar Mymoona , Shaquiquzzaman Mohammad , Almalki Faisal , Saifullah Khalid , Marella Akranth , Alam Mohammad M. 
Published: March 2020

AbstractIn continuation of our previous work on anticancer and anti‐inflammatory agents, a series of 22 novel methylene‐bearing sulfur‐containing cyanopyrimidine derivatives was synthesized by Biginelli condensation reaction, which was followed by nucleophilic substitution of the chloro group with secondary or tertiary amines. Structural confirmation of these derivatives was attained through different spectral techniques. Then, anticancer evaluation of these compounds was done at the National Cancer Institute. Compounds 4g, 4j, 4k, and 4v demonstrated appreciable results against different cell lines. Among the synthesized compounds, 4g (NSC: 795475) exhibited a growth inhibition (GI) of 81.34% against the NCI‐H460 lung cancer cell line, 72.64% against the ACHN renal cancer cell line, and 112.17% against the OVCAR‐4 ovarian cancer cell line. Compound 4j (NSC: 795746) was active against U‐251 CNS cancer, OVCAR‐4 ovarian cancer, and 786‐0 and ACHN renal cancer cell lines, with GI of 78.84%, 150.38%, 75.64%, and 86.45%, respectively. The literature supporting the association between cancer and underlying inflammation prompted us to evaluate the four compounds, 4g, 4j, 4k, and 4v, with appreciable anticancer activity for their in vitro anti‐inflammatory activity. Cyclooxygenase (COX)‐2 inhibition studies were also performed to study the molecular target. To validate the target study, molecular docking studies in the ligand‐binding domain of COX‐2 (PDB ID: 1CX2) were also performed. Compounds 4g, 4j, and 4k did not show cytotoxicity on RAW 264.7 cells up to 10 μM concentration; however, compound 4v showed cytotoxic effects at 10 μM concentration.
On‐site surrogates for large‐scale calibration
Authors: Huang Jiangeng , Gramacy Robert B. , Binois Mickaël , Libraschi Mirko 
Published: March 2020

AbstractMotivated by a computer model calibration problem from the oil and gas industry, involving the design of a honeycomb seal, we develop a new Bayesian methodology to cope with limitations in the canonical apparatus stemming from several factors. We propose a new strategy of on‐site design and surrogate modeling for a computer simulator acting on a high‐dimensional input space that, although relatively speedy, is prone to numerical instabilities, missing data, and nonstationary dynamics. Our aim is to strike a balance between data‐faithful modeling and computational tractability in a calibration framework—tailoring the computer model to a limited field experiment. Situating ouron‐site surrogateswithin the canonical calibration apparatus requires updates to that framework. We describe a novel yet intuitive Bayesian setup that carefully decomposes otherwise prohibitively large matrices by exploiting the sparse blockwise structure. Empirical illustrations demonstrate that this approach performs well on toy data and our motivating honeycomb example.
Modeling and simulations of supernova remnants: A short review focused on recent progress in morphological studies
Authors: Ferrand Gilles 
Published: March 2020

AbstractSupernova remnants (SNRs) are the outcome of supernovae (SNe, either core collapse or thermonuclear). The remnant results from the interaction between the stellar ejecta and the ambient medium around the progenitor star. Young SNRs are characterized by strong shocks that heat and ionize the gas, generate magneto‐hydrodynamic turbulence, and accelerate particles to relativistic energies. They radiate at all wavelengths, especially in the X‐ray domain, where spectro‐imaging observations can provide a wealth of information. This paper presents recent progress in the modeling of SNRs, particularly by means of numerical simulations, and with a focus on three‐dimensional aspects. In the first part we will consider SNRs as producers of cosmic rays (CRs). If SNRs are accelerators efficient enough to power the Galactic component of CRs, this must have a visible impact on their dynamics and, therefore, on the thermal emission from the plasma, as well as on their non‐thermal emission. In the second part we will consider SNRs as probes of the explosion mechanism. The time has come to connect multidimensional simulations of SNe and simulations of SNRs, opening the possibility to study the explosion mechanism via the dynamics and morphology of SNRs.
Atomic data and uncertainties with PyAtomDB
Authors: Foster Adam R. 
Published: March 2020

AbstractThe Atomic Database project (AtomDB) atomic database provides access to a curated collection of atomic data, along with tools that convert this data into emissivities used in many analysis tools. We present the outline of some of the tools now available for accessing AtomDB using the new Python interface, developed to handle the larger datasets that exist since the release of version 3 in 2016. We also show how these routines have allowed basic handling of uncertainties, which will become an increasing focus of research in the future.