bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cooling, Scattering, and Recombination—The Role of the Material Quality for the Physics of Tin Halide Perovskites
Authors: Kahmann Simon , Shao Shuyan , Loi Maria A. 
Published: June 2019

AbstractTin‐based perovskites have long remained a side topic in current perovskite optoelectronic research. With the recent efficiency improvement in thin film solar cells and the observation of a long hot carrier cooling time in formamidinium tin iodide (FASnI3), a thorough understanding of the material's photophysics becomes a pressing matter. Since pronounced background doping can easily obscure the actual material properties, it is of paramount importance to understand how different processing conditions affect the observed behavior. Using photoluminescence spectroscopy, thin films of FASnI3 fabricated through different protocols are therefore investigated. It is shown that hot carrier relaxation occurs much faster in highly p‐doped films due to carrier–carrier scattering. From high quality thin films, the longitudinal optical phonon energy and the electron–phonon coupling constant are extracted, which are fundamental to understanding carrier cooling. Importantly, high quality films allow for the observation of a previously unreported state of microsecond lifetime at lower energy in FASnI3, that has important consequences for the discussion of long lived emission in the field of metal halide perovskites.
Toward the Growth of High Mobility 2D Transition Metal Dichalcogenide Semiconductors
Authors: Li Henan , Huang Jing‐Kai , Shi Yumeng , Li Lain‐Jong 
Published: June 2019

AbstractThe development of integrated circuits greatly relies on the continuous dimension downscaling in material size and thickness. However, the miniaturization of silicon‐based transistors is facing fundamental limitations and the geometry scaling trend for silicon‐based microelectronics is becoming plateaued. With the continuous scaling of the gate length, overlapping junctions may lead to short channel effects degrading the transistor performance. Two‐dimensional (2D) monolayers, especially layered transition metal dichalcogenides (TMDCs) have emerged as a new class of materials, which offer several attractive features for electronic devices, including excellent thermal stability, flexibility, tunable bandgap, and high mobility. This review focuses on the key factors that determine the electrical performance of 2D TMDCs. From the device fabrication point of view, the interfacial properties between 2D TMDCs, electrode contacts, substrates, dielectric layers, and ambient environment dominate the device performances. Recent efforts on surface engineering for achieving high carrier mobility in TMDCs are reviewed. Fundamentally, the mobility of 2D materials is often hindered by charge scattering mechanism from the lattice defects or grain boundaries. The growth of high‐quality TMDCs monolayers is essentially important for the large‐scale fabrication of TMDCs‐based integrated circuits. This paper further gives the outlook for future research directions, challenges, and possible development for 2D semiconducting electronics.
Multifunctional and Multiband Fractal Metasurface Based on Inter‐Metamolecular Coupling Interaction
Authors: Li Si Jia , Cui Tie Jun , Li Yun Bo , Zhang Chen , Li Rui Qi , Cao Xiang Yu , Guo Ze Xu 
Published: June 2019

AbstractMetasurfaces, as artificially patterned microstructures representing the ultrathin planar version of metamaterials, have attracted growing attention due to their unprecedented properties in controlling the amplitude, phase, and polarization states of electromagnetic waves. Here, a multifunctional and multiband fractal metasurface is proposed in reflection mode with strong inter‐metamolecular coupling interactions to accomplish simultaneous manipulations from a linear polarization to another and from a linear polarization to left‐ and right‐circular polarizations. The calculated Stokes parameter and axial ratio indicate excellent multiband polarization conversions, which are realized by the inter‐metamolecular coupling interactions of fractal metasurface. Both numerical simulations and experimental results demonstrate good performance of the multifunctional and multiband fractal metasurface.
Unlocking Few‐Layered Ternary Chalcogenides for High‐Performance Potassium‐Ion Storage
Authors: Tian Huajun , Yu Xuechao , Shao Hezhu , Dong Liubing , Chen Yi , Fang Xiaqin , Wang Chengyin , Han Weiqiang , Wang Guoxiu 
Published: June 2019

AbstractPotassium‐ion batteries (KIBs) have attracted increasing attention for grid‐scale energy storage due to the abundance of potassium resources, low cost, and competitive energy density. The key challenge for KIBs is to develop high‐performance electrode materials. However, the exploration of high‐capacity and ultrastable electrodes for KIBs remains challenging because of the sluggish diffusion kinetics of K+ ions during the charging/discharging processes. This study reports for the first time a facile ion‐intercalation‐mediated exfoliation method with Mg2+ cations and NO3– anions as ion assistants for the fabrication of expanded few‐layered ternary Ta2NiSe5 (EF‐TNS) flakes with interlayer spacing up to 1.1 nm and abundant Se sites (NiSe4 tetrahedra/TaSe6 octahedra clusters) for superior potassium‐ion storage. The EF‐TNS deliver a high capacity of 315 mAh g–1, excellent rate capability (121 mAh g–1 at a current density of 1000 mA g–1), and ultrastable cycling performance (81.4% capacity retention after 1100 cycles). Detailed theoretical analysis via first‐principles calculations and experimental results elucidate that K+ ions intercalate through the expanded interlayers effectively and prefer to transport along zigzag pathways in layered Ta2NiSe5. This work provides a new avenue for designing novel ternary intercalation/pseudocapacitance‐type KIBs with high capacity, excellent rate capability, and superior long‐term cycling performance.
Intrinsic Effects of Ruddlesden‐Popper‐Based Bifunctional Catalysts for High‐Temperature Oxygen Reduction and Evolution
Authors: Huan Yu , Chen Shouxiao , Zeng Rui , Wei Tao , Dong Dehua , Hu Xun , Huang Yunhui 
Published: June 2019

AbstractUnveiling the intrinsic effects of Ruddlesden‐Popper (RP) series An+1BnO3n+1 (A = La, B = Ni, Co, Mn, Cu, n = 1, 2 and 3) catalysts is essential in order to optimize the activity of oxygen reduction reaction (ORR) and evolution reaction (OER). Here, it is demonstrated that the oxygen vacancy is not the key point for RP to realize high ORR and OER activity at high temperature. Instead, interstitial O2− with high concentration and fast migration, and lattice oxygen with high activity are favorable for the high‐temperature catalytic activity. Aliovalent cation doping is an effective strategy to modify the catalytic activity. For the RP catalysts, low‐valence ion doping does not introduce oxygen vacancies, which suppresses the activity of lattice oxygen and decreases the interstitial O2− concentration; whereas high‐valence ion doping enhances the interstitial O2– concentration and the lattice oxygen activity. The evaluations of six RP series (La2NiO4, La2CoO4, La3Co2O7, La4Ni3O10, La2MnO4, and La2CuO4 based) and twenty samples as oxygen electrodes for solid oxide fuel cells (SOFCs) and solid oxide electrolysis cells (SOECs) demonstrate that this finding is applicable to all the selected RP series.
Similarities in pelvic dimorphisms across populations
Authors: DelPrete Hillary 
Published: June 2019

AbstractObjectivesThe shape and size of the pelves of males and females differ, due in part, to the differing constraints of the sexes. Previous research has demonstrated that many factors impact pelvic morphology, thereby it is not surprising that there is pelvic variation within and across populations. Because of this variation, pelvic measures that are sexually dimorphic also differ by population. However, measures that are critical for reproduction should remain sexually dimorphic, regardless of circumstance. This study examines pelvic dimorphisms across six samples to determine if they are consistent.MethodsTwenty‐three pelvic measurements were collected from 668 individuals from six skeletal populations. Multiple t‐tests were run within samples to determine which traits were dimorphic. Further, an index value was computed for each variable to examine and to classify level of dimorphism; values were classified as high, moderate, or low. All results were compared across samples.ResultsTen measures remained dimorphic across every population; females were consistently larger for posterior spaces of the inlet, midplane, and outlet, bi‐spinous diameter, transverse diameter of the outlet, and circumference of the midplane. Males were consistently larger for anterior space of the outlet, pelvic breadth, iliac length, and pelvic depth. Index values varied across populations; however, level of dimorphism remained consistent.ConclusionsThese findings suggest that some measures of the pelvic canal have a higher selection intensity than others. Further, variability in index values suggests that while maintaining the statistically significant presence of dimorphism, there is a degree of flexibility in the degree of dimorphism.
Molybdenum‐Catalyzed Oxidative Cleavage of Raw Poplar Sawdust into Mono‐Aromatics and Organic Acid Esters
Authors: Ma Yangyang , Ma Jiping , Xia Fei , Lu Fang , Du Zhongtian , Xu Jie 
Published: June 2019

AbstractConversion of non‐edible lignocellulosic biomass into value‐added chemicals is of great significance and also particularly attractive. However, owing to the complexity and inertness, valorization of native lignocellulose remains to be quite challenging. Herein, catalytic oxidative cleavage of raw poplar sawdust was studied, mono‐aromatics and organic acid esters with 34.8 wt% and 27.4 wt% yield respectively were achieved over MoO2(acac)2 with molecular oxygen, which was suggested to be attributed to a prior cleavage of the carbohydrate fractions. This catalytic oxidation approach demonstrates the feasibility of transformation of raw woody biomass into valuable chemicals.
On the Mechanism of Palladium‐Catalyzed Unsaturated Bond Transformations: A Review of Theoretical Studies
Authors: Xiong Qin , Chen Haohua , Zhang Tao , Shan Chunhui , Bai Ruopeng , Lan Yu 
Published: June 2019

AbstractPalladium‐catalyzed transformation reactions of unsaturated molecules have considerable importance because of their versatility and wide range of applications. Over the past decades, various experimental studies on palladium‐catalyzed unsaturated bond transformation have been reported, and mechanistic and computational studies have also progressed considerably. With the development of computing methods and power, theoretical calculation has become a powerful tool for mechanistic study of transition‐metal catalysis. In this review, we summarize the literature on mechanistic studies of palladium‐catalyzed transformations of unsaturated molecules, including hydrogenation, alkylation, arylation, silylation, vinylation, cyclization and esterification. Mechanistically, most of these reactions undergo a redox pathway, involving either oxidative addition, insertion, transmetalation, β‐H elimination or reductive elimination. Some instead undergo a non‐redox pathway, mainly involving insertion or β‐H elimination.
Direct Z‐Scheme Hetero‐phase Junction of Black/Red Phosphorus for Photocatalytic Water Splitting
Authors: Liu Fulai , Shi Rui , Wang Zhuan , Weng Yuxiang , Che Chi‐Ming , Chen Yong 
Published: June 2019

AbstractBlack phosphorus (BP) has recently drawn attention in photocatalysis for its optical properties. However, limited by the rapid recombination of photogenerated carriers, the use of BP for photocatalytic water splitting still remains a huge challenge. Herein, we prepare a black/red phosphorus (BP/RP) hetero‐phase junction photocatalyst by a wet‐chemistry method to promote the interfacial charge separation and thus achieve Z‐scheme photocatalytic water splitting without using sacrificial agents. The Z‐scheme mechanism was confirmed by time‐resolved transient absorption spectroscopy. This work provides a novel insight into the interface design of hetero‐phase junction with atomic precision.
Expanding APEX2 Substrates for Proximity‐Dependent Labeling of Nucleic Acids and Proteins in Living Cells
Authors: Zhou Ying , Wang Gang , Wang Pengchong , Li Zeyao , Yue Tieqiang , Wang Jianbin , Zou Peng 
Published: June 2019

AbstractThe subcellular organization of biomolecules such as proteins and nucleic acids is intimately linked to their biological functions. APEX2, an engineered ascorbate peroxidase that enables proximity‐dependent labeling of proteins in living cells, has emerged as a powerful tool for deciphering the molecular architecture of various subcellular structures. However, only phenolic compounds have thus far been employed as APEX2 substrates, and the resulting phenoxyl radicals preferentially react with electron‐rich amino acid residues. This narrow scope of substrates could potentially limit the application of APEX2. In this study, we screened a panel of aromatic compounds and identified biotin‐conjugated arylamines as novel probes with significantly higher reactivity towards nucleic acids. As a demonstration of the spatial specificity and depth of coverage in mammalian cells, we applied APEX2 labeling with biotin‐aniline (Btn‐An) in the mitochondrial matrix, capturing all 13 mitochondrial messenger RNAs and none of the cytoplasmic RNAs. APEX2‐mediated Btn‐An labeling of RNA is thus a promising method for mapping the subcellular transcriptome, which could shed light on its functions in cell physiology.
Synthesis, characterization of Schiff base metal complexes and their biological investigation
Authors: El‐Sonbati A.Z. , Mahmoud W.H. , Mohamed Gehad G. , Diab M.A. , Morgan Sh.M. , Abbas S.Y. 
Published: June 2019

A new Schiff base ligand named (E)‐2‐(((3‐aminophenyl)imino)methyl)phenol (HL) was prepared through condensation reaction of m‐phenylenediamine and 2‐hydroxybenzaldehyde in 1:1 molar ratio. The new ligand was characterized by elemental analysis and spectral techniques. The coordination behavior of a series of transition metal ions named Cr (III), Mn (II), Fe (III), Co (II), Ni (II), Cu (II), Zn (II) and Cd (II) with the newly prepared Schiff base ligand (HL) is reported. The nature of bonding and the stereochemistry of the complexes have been deduced from elemental analyses, IR, UV–Vis, 1H NMR, mass, electronic spectra, magnetic susceptibility and conductivity measurements and further their thermal stability was confirmed by thermogravimetric analysis (TG). From IR spectra, it was observed that the ligand is a neutral tridentate ligand coordinates to the metal ions through protonated phenolic oxygen, azomethine nitrogen and nitrogen atom of NH2 group. The existence, the number and the position of the water molecules was studied by thermal analysis. The molecular structures of the Schiff base ligand (HL) and its metal complexes were optimized theoretically and the quantum chemical parameters were calculated. The synthesized ligand and its complexes were screened for antimicrobial activities against bacterial species (Staphylococcus aureus and Bacillis subtilis, (gram positive bacteria)), (Salmonella SP., Escherichia coli and Pseudomonas aeruginosa, (gram negative bacteria)) and fungi (Aspergillus fumigatus and Candida albicans). The complexes were found to possess high biological activities against different organisms. Molecular docking was used to predict the efficiency of binding between Schiff base ligand (HL) and both receptors of Escherichia coli (3 T88) and Staphylococcus aureus (3Q8U). The receptor of Escherichia coli (3 T88) showed best interaction with Schiff base ligand (HL) compared to receptor of Staphylococcus aureu (3Q8U).
Toughening of semi‐IPN structured epoxy using a new PEEK‐type polymer via in situ azide–alkyne click polymerization
Authors: Lee Jin Seo , Ko Na Yeong , Kwak Nho Hoon , Ying Wu Bin , Lee Bumjae 
Published: June 2019

ABSTRACTA new poly(ether ether ketone)‐type polymer prepared from 1,4‐bis(azidomethyl)benzene (p‐BAB), 4,4′‐bis(2‐propynyloxy)benzophenone (PBP) or 4,4′‐sulfonylbis(propynyloxy)‐benzene (SBP) via azide–alkyne click polymerization was used as a toughening agent to improve the fracture toughness, thermal stability of the toughened epoxy and reduce its viscosity during processing. The epoxy was toughened by the polymer [poly(p‐BAB/PBP)] via in situ polymerization during the curing process, which largely decreased viscosity during the epoxy mixing process compared to that of a neat epoxy. The fracture toughness of 5 wt % poly(p‐BAB/PBP) toughened epoxy is two times higher than that of the neat epoxy, and even higher than that of the polyethersulfone‐type [poly(p‐BAB/SBP)] toughened epoxy using the same amount of toughening agents. In addition, the T
g of this toughened epoxy is higher than that of engineering plastic, which could be regarded as the evidence for the excellent thermal resistance. These phenomena might be attributed to the formation of semi‐interpenetrating polymer networks composed by the epoxy network and the linear poly(p‐BAB/PBP). In situ poly(p‐BAB/PBP) has unique advantages such as decreased viscosity and improved thermal stability in comparison with in situ poly(p‐BAB/SBP). These features are significant for the development of carbon‐fiber‐reinforced plastics as alternate materials to metals. Therefore, in situ poly(p‐BAB/PBP) is a promising toughener for epoxy systems. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 48178.
Hydrogel increases diclofenac skin permeation and absorption
Authors: Haltner‐Ukomadu Eleonore , Sacha Manuel , Richter Andrea , Hussein Khaled 
Published: June 2019

AbstractPurposeTopical nonsteroidal anti‐inflammatory drug formulations are used commonly to treat musculoskeletal pain and inflammation. Drug properties and formulation composition are the primary determinants of the transdermal drug delivery rate. The ex vivo transdermal flux through human skin of three topical diclofenac formulations was compared.MethodsThe formulations tested were hydrogel 1% diclofenac sodium and two emulsion gels (1.16%/2.32% diclofenac diethylamine, equivalent to 1%/2% diclofenac sodium). Human abdominal skin obtained during unrelated surgical procedures was stored at −20 °C until use. Skin specimens were thawed, prepared and placed in Franz diffusion cells (stratum corneum facing donor cell). The test formulation (~200 mg) was applied to the donor cell skin surface, and the receptor compartment was periodically sampled over 48 hours. The drug concentration in the receptor medium was determined by a validated HPLC method. Raman spectral imaging was performed to visualize the location and distribution of diclofenac.ResultsAfter 5 hours, the cumulative amount of hydrogel diclofenac transiting the skin was about 10 times that of the emulsion gel 1.16% (P=0.0004) and about twice that of the emulsion gel 2.32% (P=0.022). Similar results were seen after 9 hours. Raman spectroscopy showed that the hydrogel formulation was a homogeneous mixture of its various components, including diclofenac. The emulsion gels were non‐homogeneous, with diclofenac in close proximity to the lipophilic (paraffin) phase.ConclusionsThe transdermal transit of diclofenac from the hydrogel demonstrated a faster onset and a greater absorption rate than either emulsion gel formulation, suggesting that the hydrogel formulation may have a faster onset of action in underlying tissues vs. the emulsion gel products.
Metabolomics analysis of Pulsatilla decoction on treatment of wetness‐heat‐induced diarrhea in rats based on UPLC–Q/TOF–MS/MS
Authors: Hua Yong‐li , Ma Qi , Li Wei , Zhang Xiao‐song , Cheng Xiao‐hua , Jia Ya‐qian , Peng Xiao‐ting , Yao Wan‐ling , Ji Peng , Hu Jun‐jie , Wei Yan‐ming 
Published: June 2019

AbstractPulsatilla decoction (PD) is a classical prescription in traditional Chinese medicine that has therapeutic effects on wetness‐heat‐induced diarrhea (WHD). To investigate the therapeutic effects of PD in the treatment of WHD and elucidate the potential mechanism, we used a metabolomics strategy on the base of ultraperformance liquid chromatography coupled with quadrupole time‐of‐flight/mass spectrometry (UPLC–Q/TOF–MS/MS) and analyzed the serum samples of 32 rats to identify differential metabolites and pathways associated with the PD treatment of WHD. With variable importance for projection >1.0 in the Orthogonal partial least‐squares discriminant analysis (OPLS‐DA ) models and FC ≥1.2 or ≤0.8, 67 differential metabolites in the model and control groups and 33 differential metabolites in the model and PD groups were screened. A total of 23 differential metabolites were selected based on Venny analysis. Functional analysis showed that the differential metabolites identified were primarily involved in pentose and glucuronate interconversions, glycerophospholipid metabolism, tryptophan metabolism, starch and sucrose metabolism, and glycerolipid metabolism. This study suggested that PD exerts inhibitory effects on WHD. In particular, the significant roles of PD for treating WHD lie in regulating perturbed energy metabolism, glycerophospholipid metabolism and glycerolipid metabolism, and promoting lysoPC production restoring the function of intestinal tract.
Clinical practice guidelines for the diagnosis and treatment of adult diffuse glioma‐related epilepsy
Authors: Liang Shuli , Fan Xing , Zhao Ming , Shan Xia , Li Wenling , Ding Ping , You Gan , Hong Zhen , Yang Xuejun , Luan Guoming , Ma Wenbin , Yang Hui , You Yongpin , Yang Tianming , Li Liang , Liao Weiping , Wang Lei , Wu Xun , Yu Xinguang , Zhang Jianguo , Mao Qing , Wang Yuping , Li Wenbin , Wang Xuefeng , Jiang Chuanlu , Liu Xiaoyan , Qi Songtao , Liu Xingzhou , Qu Yan , Xu Jiwen , Wang Weimin , Song Zhi , Wu Jinsong , Liu Zhixiong , Chen Ling , Lin Yuanxiang , Zhou Jian , Liu Xianzeng , Zhang Wei , Li Shichuo , Jiang Tao 
Published: June 2019

AbstractBackgroundGlioma‐related epilepsy (GRE) is defined as symptomatic epileptic seizures secondary to gliomas, it brings both heavy financial and psychosocial burdens to patients with diffuse glioma and significantly decreases their quality of life. To date, there have been no clinical guidelines that provide recommendations for the optimal diagnostic and therapeutic procedures for GRE patients.MethodsIn March 2017, the Joint Task Force for GRE of China Association Against Epilepsy and Society for Neuro‐Oncology of China launched the guideline committee for the diagnosis and treatment of GRE. The guideline committee conducted a comprehensive review of relevant domestic and international literatures that were evaluated and graded based on the Oxford Centre for Evidence‐Based Medicine Levels of Evidence, and then held three consensus meetings to discuss relevant recommendations. The recommendations were eventually given according to those relevant literatures, together with the experiences in the diagnosis and treatment of over 3000 GRE cases from 24 tertiary level hospitals that specialize in clinical research of epilepsy, glioma, and GRE in China.ResultsThe manuscript presented the current standard recommendations for the diagnostic and therapeutic procedures of GRE.ConclusionsThe current work will provide a framework and assurance for the diagnosis and treatment strategy of GRE to reduce complications and costs caused by unnecessary treatment. Additionally, it can serve as a reference for all professionals involved in the management of patients with GRE.