bluuebunny/crossref_metadata_2025 huggingface dataset:
Ultrahigh‐Performance Self‐Powered Flexible Photodetector Driven from Photogating, Piezo‐Phototronic, and Ferroelectric Effects
Authors: Shen Tien‐Lin , Chu Yu‐Wei , Liao Yu‐Kuang , Lee Wen‐Ya , Kuo Hao‐Chung , Lin Tai‐Yuan , Chen Yang‐Fang
Published: November 2019

Owing to the need for dynamic, real‐time, and on‐site data collection in internet of things applications, the realization of ultra‐sensitive sensing networks with self‐powered, flexible, and lightweight devices has become an important issue for the development of sensor systems. In this work, a novel, high‐performance, self‐powered photodetector is achieved through the combination of photogating, piezo‐phototronic, and ferroelectric effect by incorporating a ferroelectric thin film of poly(vinylidene fluoride‐co‐trifluoroethylene) in a rationally designed device structure with suitable band alignment, which can modulate carrier transport behavior at the interface due to the internal electric field produced by light illumination, external strain, or voltage‐poled dipole. This enables photocurrent and overall device performance to improve significantly. The unprecedented photodetector presented in this study has several merits, including mechanical flexibility and light weight that allow it to adapt to arbitrary surface topology; additionally, its self‐powering capability and high reliability are urgently needed for the demanding functionality of devices for the development of next‐generation optoelectronic devices, spanning from wearable communication to unattended harsh environments with a human‐friendly interface.
Engineering the Active Site of an (S)‐Selective Amine Transaminase for Acceptance of Doubly Bulky Primary Amines
Authors: Land Henrik , Ruggieri Federica , Szekrenyi Anna , Fessner Wolf‐Dieter , Berglund Per
Published: November 2019

A protein engineering approach for expanding the substrate scope of the (S)‐selective Chromobacterium violaceum amine transaminase is presented. Amino acid residues in the small binding pocket of the active site were targeted in order to increase the pocket size for acceptance of primary amines bearing two bulky groups. A highly sensitive fluorescence assay was then used to evaluate the generated enzyme variants for their activity towards propyl‐ and benzyl‐substituted screening substrates. The best variant, L59A/F88A, was successfully applied in the kinetic resolution of 1,2‐diphenylethylamine using different conditions and substrate loadings. The variant L59A/F88A generated enantiomerically pure (R)‐1,2‐diphenylethylamine with ee>99% under all tested conditions. The variant also holds great promise for synthesis of hydrophobic compounds as it shows optimum activity when 20‐30% (v/v) DMSO is applied as cosolvent. The variant L59A/F88A provides a great addition to the available catalyst toolbox for synthesis of chiral amines, as it is the first published (S)‐selective amine transaminase showing activity towards benzyl‐substituted primary amines.

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Palladium‐Catalyzed Intramolecular Mizoroki‐Heck‐Type Reaction of Diarylmethyl Carbonates
Authors: Matsude Akihiro , Hirano Koji , Miura Masahiro
Published: November 2019

A palladium‐catalyzed intramolecular Mizoroki‐Heck‐type reaction of diarylmethyl tert‐butyl carbonates has been developed. The reaction proceeds under external base‐free, neutral conditions to form the corresponding methyleneindanes in good yields only with liberation of CO2 and tBuOH. The resulting exo‐methylene moiety is reactive and thus a good synthetic handle for further manipulations. Additionally, the asymmetric synthesis is also possible through a Pd/chiral Mandyphos ligand‐mediated kinetic resolution. To the best of our knowledge, this is the first successful example of catalytic enantioselective Mizoroki‐Heck‐type reaction of secondary benzyl electrophiles.

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Tracking Pathogen Infections by Time‐Resolved Chemical Proteomics
Authors: Zhang Ying , Kao Der‐Shyang , Gu Bing , Bomjan Rajdeep , Srivastava Mayank , Lu Haojie , Zhou Daoguo , Tao W. Andy
Published: November 2019

Studying the dynamic interaction between host cells and pathogen is vital but remains technically challenging. We describe herein a time‐resolved chemical proteomics strategy enabling host and pathogen temporal interaction profiling (HAPTIP) for tracking the entry of a pathogen into the host cell. A novel multifunctional chemical proteomics probe was introduced to label living bacteria followed by in vivo crosslinking of bacteria proteins to their interacting host‐cell proteins at different time points initiated by UV for label‐free quantitative proteomics analysis. We observed over 400 specific interacting proteins crosslinked with the probe during the formation of Salmonella‐containing vacuole (SCV). This novel chemical proteomics approach provides a temporal interaction profile of host and pathogen in high throughput and would facilitate better understanding of the infection process at the molecular level.
Crystal‐Growth‐Dominated Fabrication of Metal–Organic Frameworks with Orderly Distributed Hierarchical Porosity
Authors: Li Hang , Meng Fanchen , Zhang Suoying , Wang Liguang , Li Matthew , Ma Lu , Zhang Weina , Zhang Wenlei , Yang Zhuhong , Wu Tianpin , Lee Sungsik , Huo Fengwei , Lu Jun
Published: November 2019

Constructing architectures with hierarchical porosity has been widely considered as the most efficient way to bypass the problems related to slow mass transfer and inaccessibility of internal space in MOFs. Now, a crystal‐growth‐dominated strategy is proposed to fabricate hierarchically porous MOFs (HP‐MOFs). When the crystal growth is dominated by the monomer attachment, the aggregation of nonionic surfactant or polymer can be easily captured and released during the crystal growth process, resulting in the formation and ordering hierarchical pores along the radial direction. Owing to the accelerated mass diffusion and more exposed active sites of this design, HP‐MOFs exhibited an enhanced catalytic efficiency in styrene oxidation.
Structure Determination of Alkynyl‐Protected Gold Nanocluster Au22(tBuC≡C)18 and Its Thermochromic Luminescence
Authors: Han Xu‐Shuang , Luan Xinqi , Su Hai‐Feng , Li Jiao‐Jiao , Yuan Shang‐Fu , Lei Zhen , Pei Yong , Wang Quan‐Ming
Published: November 2019

An alkynyl‐protected gold nanocluster, Au22(tBuC≡C)18 (1), has been synthesized and its structure has been determined by single‐crystal X‐ray diffraction. The molecular structure consists of a Au13 cuboctahedron kernel and three [Au3(tBuC≡C)4] trimeric staples. The cluster 1 has strong luminescence in the solid state with a 15 % quantum yield, and it displays interesting thermochromic luminescence as revealed by temperature‐dependent emission spectra. The enhanced room‐temperature emission is characterized as thermally activated delayed fluorescence.
Multiple Bonding Between Group 3 Metals and Fe(CO)3−
Authors: Wang Jia‐Qi , Chi Chaoxian , Hu Han‐Shi , Li Xiang , Luo Mingbiao , Li Jun , Zhou Mingfei
Published: November 2019

Heteronuclear Group 3 metal/iron carbonyl anion complexes ScFe(CO)3−, YFe(CO)3−, and LaFe(CO)3− are prepared in the gas phase and studied by mass‐selective infrared (IR) photodissociation spectroscopy as well as quantum‐chemical calculations. All three anion complexes are characterized to have a metal–metal‐bonded C3v equilibrium geometry with all three carbonyl ligands bonded to the iron center and a closed‐shell singlet electronic ground state. Bonding analyses reveal that there are multiple bonding interactions between the bare group‐3 elements and the Fe(CO)3− fragment. Besides one covalent electron‐sharing metal–metal σ bond and two dative π bonds from Fe to the Group 3 metal, there is additional multicenter covalent bonding with the Group 3 atom bonded to Fe and the carbon atoms.
Sublimable Spin‐Crossover Complexes: From Spin‐State Switching to Molecular Devices
Authors: Kumar Kuppusamy Senthil , Ruben Mario
Published: November 2019

Spin‐crossover (SCO) active transition metal complexes are an important class of switchable molecular materials due to their bistable spin‐state switching characteristics at or around room temperature. Vacuum‐sublimable SCO complexes are a subclass of SCO complexes suitable for fabricating ultraclean spin‐switchable films desirable for applications, especially in molecular electronics/spintronics. Consequently, on‐surface SCO of thin‐films of sublimable SCO complexes have been studied employing spectroscopy and microscopy techniques, and results of fundamental and technological importance have been obtained. This Review provides complete coverage of advances made in the field of vacuum‐sublimable SCO complexes: progress made in the design and synthesis of sublimable functional SCO complexes, on‐surface SCO of molecular and multilayer thick films, and various molecular and thin‐film device architectures based on the sublimable SCO complexes.
Iridium‐Catalyzed Hydrochlorination and Hydrobromination of Alkynes by Shuttle Catalysis
Authors: Yu Peng , Bismuto Alessandro , Morandi Bill
Published: November 2019

Described herein are two different methods for the synthesis of vinyl halides by a shuttle catalysis based iridium‐catalyzed transfer hydrohalogenation of unactivated alkynes. The use of 4‐chlorobutan‐2‐one or tert‐butyl halide as donors of hydrogen halides allows this transformation in the absence of corrosive reagents, such as hydrogen halides or acid chlorides, thus largely improving the functional‐group tolerance and safety profile of these reactions compared to the state‐of‐the‐art. This method has granted access to alkenyl halide compounds containing acid‐sensitive groups, such as tertiary alcohols, silyl ethers, and acetals. The synthetic value of those methodologies has been demonstrated by gram‐scale synthesis where low catalyst loading was achieved.
Enriched Surface Oxygen Vacancies of Photoanodes by Photoetching with Enhanced Charge Separation
Authors: Feng Shijia , Wang Tuo , Liu Bin , Hu Congling , Li Lulu , Zhao Zhi‐Jian , Gong Jinlong
Published: November 2019

A facile photoetching approach is described that alleviates the negative effects from bulk defects by confining the oxygen vacancy (Ovac) at the surface of BiVO4 photoanode, by 10‐minute photoetching. This strategy could induce enriched Ovac at the surface of BiVO4, which avoids the formation of excessive bulk defects. A mechanism is proposed to explain the enhanced charge separation at the BiVO4 /electrolyte interface, which is supported by density functional theory (DFT) calculations. The optimized BiVO4 with enriched surface Ovac presents the highest photocurrent among undoped BiVO4 photoanodes. Upon loading FeOOH/NiOOH cocatalysts, photoetched BiVO4 photoanode reaches a considerable water oxidation photocurrent of 3.0 mA cm−2 at 0.6 V vs. reversible hydrogen electrode. An unbiased solar‐to‐hydrogen conversion efficiency of 3.5 % is realized by this BiVO4 photoanode and a Si photocathode under 1 sun illumination.
Construction of Quaternary Carbon Center by Catalytic Asymmetric Alkylation of 3‐Arylpiperidin‐2‐ones Under Phase‐Transfer Conditions
Authors: Inukai Tomoaki , Kano Taichi , Maruoka Keiji
Published: November 2019

A highly enantioselective synthesis of δ‐lactams having a chiral quaternary carbon center at the α‐position has been developed through an asymmetric alkylation of 3‐arylpiperidin‐2‐ones under phase‐transfer conditions. In this transformation, a 2,2‐diarylvinyl group on the δ‐lactam nitrogen atom plays a crucial role as a novel protecting group and an achiral auxiliary for improving both yield and enantioselectivity of the reaction.
Image‐Based Morphological Profiling Identifies a Lysosomotropic, Iron‐Sequestering Autophagy Inhibitor
Authors: Laraia Luca , Garivet Guillaume , Foley Daniel J. , Kaiser Nadine , Müller Sebastian , Zinken Sarah , Pinkert Thomas , Wilke Julian , Corkery Dale , Pahl Axel , Sievers Sonja , Janning Petra , Arenz Christoph , Wu Yaowen , Rodriguez Raphaël , Waldmann Herbert
Published: November 2019

Chemical proteomics is widely applied in small‐molecule target identification. However, in general it does not identify non‐protein small‐molecule targets, and thus, alternative methods for target identification are in high demand. We report the discovery of the autophagy inhibitor autoquin and the identification of its molecular mode of action using image‐based morphological profiling in the cell painting assay. A compound‐induced fingerprint representing changes in 579 cellular parameters revealed that autoquin accumulates in lysosomes and inhibits their fusion with autophagosomes. In addition, autoquin sequesters Fe2+ in lysosomes, resulting in an increase of lysosomal reactive oxygen species and ultimately cell death. Such a mechanism of action would have been challenging to unravel by current methods. This work demonstrates the potential of the cell painting assay to deconvolute modes of action of small molecules, warranting wider application in chemical biology.
Comparative effects of two different crosslinkers on the properties of vegetable oil‐based polyurethanes
Authors: Meiorin Cintia , Calvo‐Correas Tamara , Mosiewicki Mirna Alejandra , Aranguren Mirta Inés , Corcuera Maria Angeles , Eceiza Arantxa
Published: November 2019

Thermoset polyurethanes (PUs) were prepared from a polyol derived from castor oil, 4,4′‐methylene diphenyl diisocyanate (MDI) and different trifunctional low‐molecular‐weight crosslinkers, biobased glycerol (Gly) and petroleum‐derived trimethylolpropane (TMP). The synthesis was carried out in bulk and without catalyst via one‐step polymerization varying the components equivalent weight ratio, Polyol:MDI:Gly and Polyol:MDI:TMP, respectively. The physicochemical, morphological, thermal, dynamic–mechanical, and mechanical properties of the PUs were determined. The success of the reaction between the polyol and MDI was confirmed by Fourier transform infrared spectroscopy. The dynamic–mechanical and the mechanical properties as well as hardness were determined and related to the concentration of the low‐molecular‐weight crosslinkers utilized (Gly or TMP). However, important differences were observed between the synthesized two series, due to phase separation produced during the curing reaction, which affected more the materials prepared from TMP. Scanning electron microscopy images and dynamic–mechanical results confirmed this difference, related to the reactivity of primary and secondary hydroxyls present in the crosslinkers. Thermogravimetric analysis also showed to be sensible to the different structure of the crosslinkers with TMP leading to more thermally stable samples. Finally, measurements of water contact angle indicated that the surfaces were mostly hydrophobic with minor differences between the samples. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48741.
Effect of phenolic compounds from the rind of Punica granatum on the activity of three metabolism‐related enzymes
Authors: Ahmed Mohamed H. , Aldesouki Hala M. , Badria Farid A.
Published: November 2019

Enzyme activity modulation by synthetic compounds provide strategies combining the inhibitory and therapeutic mode of action of the confirmed inhibitors. However, natural modulators could offer a valuable alternative for synthetic ones for the treatment of different chronic diseases (diabetes, hypertension, cancer) due to the numerous side effects of the latter. In vitro screening assays were conducted for Punica granatum rind methanolic extract against three metabolism‐related enzymes: α‐amylase, tyrosinase, and hyaluronidase. The obtained results showed that the examined extract retained high multitarget inhibition with inhibition percentages 31.5 ± 1.3%, 75.9 ± 4.7%, and 68.5 ± 5.3% against α‐amylase, tyrosinase, and hyaluronidase, respectively. Bioguided fractionation of P. granatum rind extract revealed that quercetin is the major active compound with inhibitory activities: 54.3 ± 2.7%, 94.2 ± 3.5%, and 90.9 ± 2.7% against α‐amylase, tyrosinase, and hyaluronidase, respectively. Kinetic studies of enzymes showed that quercetin inhibition was noncompetitive, uncompetitive, and competitive for α‐amylase, tyrosinase, and hyaluronidase, respectively. The molecular docking of quercetin with α‐amylase and hyaluronidase showed high binding energy with different bonds stabilizing the ligand–protein complex. Compiling all obtained results led to conclude that both P. granatum rind extract and quercetin have multitarget activities with potential therapeutic applications in many metabolic disorders.
Study on the interaction of anti‐inflammatory drugs with human serum albumin using molecular docking, quantitative structure–activity relationship, and fluorescence spectroscopy
Authors: Mohammadnia F. , Fatemi M.H. , Taghizadeh S.M.
Published: November 2019

The interaction of 14 anti‐inflammatory drugs with human serum albumin (HSA) was investigated using fluorescence quenching, molecular docking studies, and quantitative structure–activity relationship (QSAR) methodology. Binding of anti‐inflammatory drugs to HSA plays a fundamental role in their transport, distribution, delivery, and elimination. Binding constants of these drugs to HSA, obtained using the fluorescence quenching method, were within the range 0.01 × 104 M−1 (acetaminophen) to 1881.05 × 104 M−1 (meloxicam). Binding sites and binding constants of these anti‐inflammatory drugs were estimated using molecular docking. Inspection of the obtained values for docking score, logKb and Kb, showed that the drugs in this data set have a relatively strong binding constant for HSA. QSAR modelling was applied for binding constants obtained from fluorescence quenching and theoretical molecular descriptors. This modelling led to a linear two‐parameter model with a correlation coefficient of 0.95 and adequate robustness. The descriptor results showed the importance of a bonding network and electronegativity as the discriminative structural factors in binding affinity for the HSA molecule.
Successful eco‐innovators: Exploring the association between open inbound knowledge strategies and the performance of eco‐innovative firms
Authors: Moreno‐Mondéjar Lourdes , Triguero Ángela , Sáez‐Martínez Francisco José
Published: November 2019

The main purpose of this paper is to analyse the association between open inbound knowledge strategies and the performance of eco‐innovative firms in the food and beverage industry. We propose a mixed framework based on the eco‐innovation literature and the open innovation approach. We consider the characteristics in a traditional sector based upon a resource‐based perspective. Three types of firms are distinguished in terms of their sales growth in the Spanish food industry from the least to the most successful eco‐innovators. Using multinomial logistic regression models, it is shown that the diversity of collaborators (breadth of external sources of knowledge) and joint adoption of product and process eco‐innovations are positively associated with the probability of achieving high sales growth. Moreover, we find an inverted U‐shaped relationship between the breadth of the external search and firm performance, but only for the group of the most successful firms. Moreover, operational flexibility, knowledge‐based capabilities and company size are also positively related to the group of successful eco‐innovators.
Monosodium glutamate restricts the adipogenic potential of 3T3‐L1 preadipocytes through mitotic clonal expansion
Authors: Türküner Mehmet Soner , Özcan Ferruh
Published: November 2019

Recent epidemiologic studies pointed out a significant correlation between dietary monosodium glutamate (MSG) and increased body mass index. Corroborating evidences came from animal studies depicting a clear association between dietary MSG intake and increased abdominal fat, dyslipidemia, adipocyte hypertrophy, and total body weight gain. Taken together with the inferred absence of conspicuous hypothalamic neuropathies the hallmark of disease etiopathogenesis in MSG‐obese animals, these animal studies with dietary MSG strongly argue for the presence of an alternative non‐neuronal route for MSG to mediate its adipose tissue‐specific phenotype and body weight gain. On the basis of this hypothesis, we investigated the direct effect of physiologically relevant low (100 µM), moderate (250 µM), and high dosages (2.5 and 25 mM) of MSG on distinct phases of adipocyte differentiation. MSG‐dependent changes in cell proliferation and lipid accumulation were analyzed by cell proliferation assays, flow cytometry, and biochemical methods, respectively. Physiologically relevant high dosages MSG demonstrated a significant potential in reducing MCE and thereof adipogenic capacity of preadipocytes in a dose‐dependent manner by restricting the availability of critical mitogenic proteins, CCAAT/enhancer‐binding protein β (CEBPβ), and the mitotic cyclin B. Our findings warrant further investigations to unravel the effect of long‐term dietary MSG intake on capacity of preadipocytes in different fat depots to undergo mitotic clonal expansion and hyperplasia in rodent models and human subjects, respectively.
A case report of idiopathic environmental intolerance: A controversial and current issue
Authors: Quarato Marco , De Maria Luigi , Caputi Antonio , Cavone Domenica , Cannone Enza Sabrina Silvana , Mansi Francesca , Gatti Maria Franca , Vimercati Luigi
Published: November 2019

In this case of idiopathic environmental intolerance, a little known disease characterized by many symptoms of irritation due to exposure to several toxic compounds, genetic analysis could be helpful in case of differential diagnosis issue.
BODIPY‐Based Fluorescent Probes for Biothiols
Authors: Zhang Jian , Wang Nannan , Ji Xin , Tao Yuanfang , Wang Jiamin , Zhao Weili
Published: November 2019

Fluorescent probes for biothiols have aroused increasing interest owing to their potential to enable better understanding of the diverse physiological and pathological processes related to the biothiol species. BODIPY fluorophores exhibit excellent optical properties, which can be readily tailored by introducing diverse functional units at various positions of the BODIPY core. In the present review, the development of fluorescent probes based on BODIPYs for the detection of biothiols are systematically summarized, with emphasis on the preferable detection of individual biothiols, as well as simultaneous discrimination among cysteine (Cys), homocysteine (Hcy), reduced glutathione (GSH). In addition, organelle‐targeting probes for biothiols are also highlighted. The general design principles, various recognition mechanisms, and biological applications are elaboratively discussed, which could provide a useful reference to researchers worldwide interested in this area.
Interfacial Engineering in PtNiCo/NiCoS Nanowires for Enhanced Electrocatalysis and Electroanalysis
Authors: Sun Yingjun , Li Yingjie , Qin Yingnan , Wang Lei , Guo Shaojun
Published: November 2019

Searching for new anti‐poisoning Pt‐based catalysts with enhanced activity for alcohol oxidation is the key in direct alcohol fuel cells (DAFCs). However, in the traditional strategy for designing bimetallic or multimetallic alloy is still difficult to achieve a satisfactory heterogeneous electrocatalyst because the activity often depends on only the surface atoms. Herein, we fabricate the multicomponent active sites by creating a sulfide structure on 1D PtNiCo trimetallic nanowires (NWs), to give a PtNiCo/NiCoS interface NWs (IFNWs). Owing to the presence of sulfide interfaces, the PtNiCo/NiCoS IFNWs enable an impressive methanol/ethanol oxidation reaction (MOR/EOR) performance and excellent anti‐CO poisoning tolerance. They have the MOR and EOR mass activities of 2.25 Amg‐1Pt and 1.62 Amg‐1Pt, around 1.26, 3.21 and 1.46, 2.96 times higher than those of PtNiCo NWs and commercial Pt/C, respectively. CO‐stripping and XPS measurements further demonstrate that the new interfacial structure and optimal bonding of Pt−CO can result in accelerating the removal of surface adsorbed carbonaceous intermediates. Moreover, such a unique structure has also demonstrated a much‐improved ability for the electrochemical detection of some important molecules (H2O2 and NH2NH2).
Rational Design of Porous Structured Nickel Manganese Sulfides Hexagonal Sheets‐in‐Cage Structures as an Advanced Electrode Material for High‐Performance Electrochemical Capacitors
Authors: Khalafallah Diab , Wu Zongxiao , Zhi Mingjia , Hong Zhanglian
Published: November 2019

The design of hierarchical electrodes comprising multiple components with a high electrical conductivity and a large specific surface area has been recognized as a feasible strategy to remarkably boost pseudocapacitors. Herein, we delineate hexagonal sheets‐in‐cage shaped nickel–manganese sulfides (Ni‐Mn‐S) with nanosized open spaces for supercapacitor applications to realize faster redox reactions and a lower charge‐transfer resistance with a markedly enhanced specific capacitance. The hybrid was facilely prepared through a two‐step hydrothermal method. Benefiting from the synergistic effect between Ni and Mn active sites with the improvement of both ionic and electric conductivity, the resulting Ni‐Mn‐S hybrid displays a high specific capacitance of 1664 F g−1 at a current density of 1 A g−1 and a capacitance of 785 F g−1 is maintained at a current density of 50 A g−1, revealing an outstanding capacity and rate performance. The asymmetric supercapacitor device assembled with the Ni‐Mn‐S hexagonal sheets‐in‐cage as the positive electrode delivers a maximum energy density of 40.4 Wh kg−1 at a power density of 750 W kg−1. Impressively, the cycling retention of the as‐fabricated device after 10 000 cycles at a current density of 10 A g−1 reaches 85.5 %. Thus, this hybrid with superior capacitive performance holds great potential as an effective charge‐storage material.
Experimental methods in chemical engineering: Unresolved CFD‐DEM
Authors: Bérard Ariane , Patience Gregory S. , Blais Bruno
Published: November 2019

CFD‐DEM combines computational fluid dynamics (CFD), which solves the equation of motion of gas or liquids, with the discrete element method (DEM), a simulation technique based on a Lagrangian description of particle motion that predicts the flow of granular matter and powders. Resolved CFD‐DEM solves the fluid motion with CFD at a scale smaller than the particle diameter (d
p), assuming no‐slip on the particle surface to couple the phases. The fluid solver scale is coarser than d
p in unresolved CFD‐DEM and virtual mass, drag, and other solid‐fluid forces couple the phases. Resolved CFD‐DEM is more accurate, but is orders of magnitude more computationally intensive. Unresolved CFD‐DEM predicts solid distribution, pressure loss, mass flow rate, and dense and dilute phase flow patterns when the solid to fluid and fluid to solid coupling between the fluid phase and the solid phase are non‐trivial. Researchers apply CFD‐DEM to predict gas‐fluid dynamics of fluidized beds, spouted beds, hoppers, cyclones, costal erosion, and rock slides. Open source codes, commercial software, and parallel computer architectures have accelerated its adoption in pharmaceutical, agro‐industrial, and reactor design. Current research targets improving the solid‐fluid coupling strategies and multiphysics problems including heat transfer, mass transfer, and chemical reactions within or at the surface of the particles. The field has grown to over 200 indexed articles per year (Web of Science) in 2018. This article is part of a special series dedicated to experimental methods in chemical engineering that reviews the most important concepts, applications, and limitations of each technique.
Epidemiology and survival trend of adult T‐cell leukemia/lymphoma in the United States
Authors: Shah Urvi A. , Shah Nishi , Qiao Baozhen , Acuna‐Villaorduna Ana , Pradhan Kith , Adrianzen Herrera Diego , Sica R. Alejandro , Shastri Aditi , Mantzaris Ioannis , Derman Olga , Kornblum Noah , Braunschweig Ira , Ye B. Hilda , Verma Amit , Janakiram Murali
Published: November 2019

Background

Globally, 5 million to 10 million people are infected with human T‐cell leukemia virus type 1, which causes adult T‐cell leukemia/lymphoma (ATLL) in 2% to 5% of the carriers. ATLL is a rare but extremely aggressive malignancy that can be challenging to diagnose. Very little data exist on the incidence patterns of ATLL in the United States.

Methods

ATLL cases reported to the National Program of Cancer Registries, the Surveillance, Epidemiology, and End Results (SEER) program, and the New York State Cancer Registry were used for the study. Age‐adjusted incidence rates were calculated by age, race/ethnicity, sex, and year of diagnosis. The 5‐year survival rate was compared among race/ethnicity groups with the SEER data.

Results

During 2001‐2015, 2148 ATLL cases were diagnosed in the United States, 18% of which were in New York State. New York State had the highest incidence rate for ATLL, with a rising trend especially among non‐Hispanic blacks (NHBs), whereas the incidence was stable across the remainder of the United States. NHBs were diagnosed at a younger median age (54 years) and had a shorter overall survival (6 months). In New York City, only 22.6% of the ATLL cases diagnosed were born in North America.

Conclusions

This is the largest epidemiological study of ATLL in the United States and shows a rising incidence in New York City. NHBs have a younger age at presentation and poor overall survival. The rising incidence is largely due to NHBs originating from the Caribbean.
PLEKHA5 regulates tumor growth in metastatic melanoma
Authors: Zhang Hongyi , Zhu Huifang , Deng Gang , Zito Christopher R. , Oria Victor O. , Rane Chetan K. , Zhang Shenqi , Weiss Sarah A. , Tran Thuy , Adeniran Adebowale , Zhang Fanfan , Zhou Jiangbing , Kluger Yuval , Bosenberg Marcus W. , Kluger Harriet M. , Jilaveanu Lucia B.
Published: November 2019

Background

PLEKHA5 has previously been identified as a novel molecule implicated in melanoma brain metastasis, a disease that continues to portend a poor prognosis. The aim of this study was to further investigate the functional role of PLEKHA5 in disseminated melanoma.

Methods

The impact of PLEKHA5 on proliferation and tumor growth was examined in vitro and in melanoma xenograft models, including brain‐tropic melanomas (melanomas tending to disseminate to the brain). In vitro loss‐ and gain‐of‐function studies were used to explore the underlying mechanisms of PLEKHA5‐mediated tumor growth and the crosstalk between PLEKHA5 and PI3K/AKT/mTOR or MAPK/ERK signaling. The clinical relevance of PLEKHA5 dysregulation was further investigated in a cohort of matched cranial and extracranial melanoma metastases.

Results

PLEKHA5 stable knockdown negatively regulated cell proliferation by inhibiting the G1‐to‐S cell cycle transition, which coincided with upregulation of the cell cycle regulator PDCD4. Conversely, ectopic PLEKHA5 expression exhibited the inverse effect. PLEKHA5 knockdown significantly inhibited tumor growth, whereas its overexpression upregulated the growth of tumors, which was induced by cranial and subcutaneous inoculation of cells in nude mice. PLEKHA5 modulation affected PDCD4 protein stability and was coupled with changes in PI3K/AKT/mTOR pathway signaling. High PDCD4 expression in cerebral specimens was associated with better overall survival.

Conclusions

This study further supports the role of PLEKHA5 as a regulator of melanoma growth at distant sites, including the brain. Furthermore, the results highlight the significance of PDCD4 dysregulation in disseminated melanoma and implicate PDCD4 as a possible causal link between PLEKHA5 and cell proliferation and growth.
Retracted: Influence of promotion mode on purchase decision based on multilevel psychological distance dimension of visual attention model and data mining
Authors: Tang Tiantian , Hu Pei , Wu Ge
Published: November 2019

In the era of rapid development of information technology, e‐commerce has opened up a different cross‐distance trade model from traditional trade and has changed the traditional market competition. With the rapid development of network information technology and the rapid spread of online shopping, online shopping will gradually become one of the main ways people buy. It is a decision‐making process for a customer to purchase a product to characterize the product, evaluate the characteristics of the product, and select a product that matches its needs. For online merchants, it is especially important to make a profit in online sales and to be in a competitive position. This paper studies the impact of promotional methods based on visual attention models and data mining on purchasing decisions. The revised Itti visual saliency model is designed considering the visual features; the machine learning algorithm is integrated to construct the comprehensive structure of the model. The experimental results show the robustness and efficiency of the designed framework.
Crystallization Mechanism of 9,9‐Diphenyl‐dibenzosilole from Solids
Authors: Li Mingliang , Wang Xiaoge , Wang Guozhi , Ren Shizhao , Li Shuo , Wei Feng , Yan Shouke , Guo Xuefeng , Tu Hailing
Published: November 2019

Organic semiconductor (OSC) crystals have great potential to be applied in many fields, as they can be flexibly designed according to the demands and show an outstanding device performance. However, OSCs with the capacity of solid‐state crystallization (SSC) are developing too slowly to meet demands in productions and applications, due to their difficulties in molecular design and synthesis, unclear mechanism and high dependence on experimental conditions. In this work, in order to solve the problems, we synthesized an organic semiconductor capable of SSC at room temperature by adjusting the relationship between conjugated groups and functional groups. The thermodynamic and kinetic properties have been studied to discover the model of film SSC. Moreover, it can be purposefully controlled to prepare the high‐quality crystals, and their corresponding organic electronic devices were further fabricated and discussed.
Performance analysis of achievable sum‐rate for downlink massive MIMO systems
Authors: Li Hao , Wang Zhigang , Wang Houjun
Published: November 2019

Massive multiple‐input and multiple‐output (MIMO) has been recognized as a promising technology in the fifth‐generation wireless networks. Under perfect channel state information, we derive three tractable closed‐form expressions that corresponding to the lower bound, approximation, and upper bound on the achievable rate in a massive MIMO downlink system with maximum‐ratio transmission precoding. Based on the proposed closed‐form expressions, the power efficiency of the system is investigated as the number of transmit antennas increases. Simulation results demonstrate the tightness of our proposed closed‐form expressions for the achievable sum‐rate.
Synthesis and Characterization of Non‐Aqueous [TcXM‐PW11O39]n– with M = O, N: Comparing TcV and TcVI in Metal Oxide Matrices
Authors: Burton‐Pye Benjamin P. , Dembowski Mateusz , Lukens Wayne W. , Cruz Anthony , Althour Alrasheed , Lopez Gustavo E. , Salcedo Ramsey , Gallagher Colleen M. B. , McGregor Donna , Francesconi Lynn C.
Published: November 2019

Technetium‐99, a prevalent by‐product of the nuclear fuel cycle, is a transition metal with 9 accessible oxidation states and a half‐life of 2.1 × 105 years. 99TcVII has been found in the environment surrounding National Lab sites and fuel reprocessing centers, and its separation and long‐term storage is complicated by its extensive redox chemistry. In our prior work we have reported the synthesis and reduction of TcVO to TcIVO in α1‐ and α2‐Wells–Dawson P2W17O6110– polyoxometalates and reported on the polyoxometalate features that promote reduction and stabilization. In this work we report on the oxidation state stabilization of TcVO, TcVIO and TcVIN within the α‐Keggin PW11O397– polyoxometalate. Both Density Functional Theory and experimental results show that Tc in TBA4[TcVIN‐PW11O39] can be reduced to TcV, but any subsequent electrons reduce the tungsten framework of the polyoxometalate. TBA4[TcVO‐PW11O39] however, can be theoretically reduced down to TcI before reduction of the polyoxometalate occurs.
Near‐Infrared Emitting Heterobimetallic Zn‐4f Schiff Base Complexes with Visible Excitation Wavelength
Authors: Linden Calliope , Eliseeva Svetlana V. , Chaudhary Nikita , Zeller Matthias , Petoud Stéphane , Trivedi Evan R.
Published: November 2019

Herein, we report the synthesis and characterization of heterobimetallic Zn‐4f complexes formed by the “valnap” ligand (L1) with extended aromaticity, thereby acting as visibly absorbing antenna for generating the near‐infrared (NIR) luminescence of three different lanthanide(III) ions (Ln3+). The series of new Zn(py)L1Ln(NO3)3 complexes [Ln = Yb (1), Nd (2), Er (3)] have been characterized by single‐crystal X‐ray diffraction and were found to be isotypic, with a variation in the Ln3+ coordination number (CN = 9–11) in line with increasing atomic radius. Absorption spectra recorded for L1, ZnL1, and complexes 1–3 display ligand‐based absorption bands in the UV (λmax ≈ 320 nm) and visible regions (λmax ≈ 430 nm) with molar absorption coefficients up to 6.3 × 104 and 3.9 × 104 m–1 cm–1, respectively. Upon excitation into ligand‐centered absorption bands in the visible range, characteristic NIR emission signals of Yb3+ (1), Nd3+ (2), and Er3+ (3) have been obtained. Quantum yields measured under visible excitation at 430 nm (QLnL) and observed luminescence lifetimes (τobs) reflecting the excited states attributed to the 2F5/2 (Yb3+), 4F3/2 (Nd3+) and 4I13/2 (Er3+) levels have been determined. These data quantifying the luminescence properties of this family of complexes and absorption bands in the visible range with large molar absorption coefficients make complexes 1–3 of potential interest for biological applications where UV light is inappropriate.
Coinage Metal (Bisfluorosulfonyl)imide Complexes: Preparation, Characterization, and Catalytic Applications
Authors: Tang Yu , Yu Biao
Published: November 2019

Triflate (–OTf) and triflimide (–NTf2) represent two most widely used weakly coordinating counteranions in transition metal catalysis, yet their high price hinders large‐scale application. Herein, we report the preparation, characterization, and catalytic applications of silver(I), gold(I), and copper(II) (bisfluorosulfonyl)imide (–FSI) complexes, showing –FSI as a low cost alternative of –OTf and –NTf2. These complexes, including AgFSI·2MeCN (1), AgFSI·MeCN (2), AgFSI·H2O (3), (AgFSI)6·(H2O)4 (4), AgFSI (5), LAuFSI (6a–6e), and CuFSI2·4H2O (7), are prepared conveniently starting from KFSI, an inexpensive chemical, and shown interesting structural features and some unprecedented coordination modes. In comparison with the corresponding coinage metal triflimides, the FSI complexes have exhibited comparable or better catalytic performance in a series of the model chemical transformations.
Synthesis of a Novel Rocksalt‐Type Ternary Nitride Semiconductor MgSnN2 Using the Metathesis Reaction under High Pressure
Authors: Kawamura Fumio , Imura Masataka , Murata Hidenobu , Yamada Naoomi , Taniguchi Takashi
Published: November 2019

Novel ternary nitride semiconductor MgSnN2 was synthesized using the metathesis reaction under high pressure (P = 5.5 GPa/T = 850 °C/1 h). MgSnN2 obtained in this study showed a rocksalt structure, although we have reported that ZnSnN2 synthesized using a similar method has a wurtzite structure. The (111) plane of MgSnN2 with a rocksalt structure is expected to match well with GaN (0001). The band gap of MgSnN2 is estimated to be 2.3 eV and it shows a distinct cathodoluminescence peak at room temperature. MgSnN2 can find potential use in photovoltaic absorber, in the emitting layer of a light‐emitting device, and photocatalyst or opaque pigment because the elements composing MgSnN2 are nontoxic and earth‐abundant. MgSnN2 powder synthesized in this study showed excellent crystallinity, proving that metathesis reaction under high pressure is a superior method for synthesizing novel multicomponent nitrides.
The Impact of the Alkali Metal Ion on the Crystal Structure and (Mechano)luminescence of Terbium(III) Tetrakis(β‐diketonates)
Authors: Kudyakova Yulia S. , Slepukhin Pavel A. , Valova Marina S. , Burgart Yanina V. , Saloutin Viktor I. , Bazhin Denis N.
Published: November 2019

The novel terbium(III) tetrakis(β‐diketonates) M[TbL4] with different alkali metal counterions (Na, K, Cs) based on functionalized trifluoromethylated β‐diketonate are reported. An efficient approach to alkali metal β‐diketonates ML (M = Na, K, Cs) is proposed, which does not require the alkaline media promoting the destruction of 1,3‐dicarbonyl compounds. The transformation of lithium β‐diketonate LiL into the corresponding alkali metal β‐diketonate ML has been achieved under mild conditions using alkali metal fluorides. Organic ligand generates the multiplicity of coordination modes through a diketonate fragment, methoxy group and trifluoromethyl substituent. The alkali metal ion changes the geometry of coordination environment of the terbium(III) ion and affects the crystal packing of complexes. The additional coordination centers in the ligand coupled with a small atomic radius of sodium ion resulted in a construction of a rare example of discrete lanthanide tetrakis(β‐diketonate) Na[TbL4]. Moreover, this complex exhibited bright luminescence and mechanoluminescence in contrast to polymeric TbIII tetrakis(β‐diketonates) with K and Cs.
Gold(I)‐Catalysed Hydroarylation of Lactam‐Derived Enynes as an Entry to Tetrahydrobenzo[g]quinolines
Authors: Nejrotti Stefano , Ghinato Simone , Gini Elena C. , Scarpi Dina , Occhiato Ernesto G. , Maranzana Andrea , Prandi Cristina
Published: November 2019

The gold(I)‐catalysed cyclization of N‐tosyl‐protected 5‐benzyl‐6‐((trimethylsilyl)ethynyl)‐1,2,3,4‐tetrahydropyridines, prepared by the Sonogashira coupling of lactam‐derived enol triflates, provides tetrahydrobenzo[g]quinolines whose skeleton represents a recurrent motif in natural compounds. The Au(I)‐catalysed reaction is carried out with (C6F5)3PAuCl/AgNTf2 as the catalyst system and proceeds via a 6‐exo‐dig cyclization to form an exocyclic double bond, which eventually isomerises to the aromatic tetrahydrobenzo[g]quinoline. The mode of cyclization is discussed and supported by DFT calculations.
Investigation of the controlling rock petrophysical factors on water phase trapping damage in tight gas reservoirs
Authors: Tian Jian , Kang Yili , Jia Na , Luo Pingya , You Lijun
Published: November 2019

This paper presents an investigation into the effect of rock physical parameters on water phase trapping (WPT) damage in tight gas reservoirs. The investigation involved water imbibition and drainage experiments that were performed to simulate the WPT formation process. Gas permeability was measured before and after WPT, and an empirical formula was used to determine water film thickness in order to examine the influence of WPT on effective gas flow channel. Results showed that the average water saturation of 15 tight core samples increased from 19.41% to 44.76% during water imbibition and declined to 38.72% after drainage. Increments in water saturation caused a degree of damage to gas permeability in the 36.03%‐78.10% range with an average value of 59.31%. Comparative analysis showed that the dominant factors affecting WPT were average pore throat radius followed by rock permeability and porosity. Meanwhile, calculations showed that water film thickness in the 21.22‐38.18 nm range correlated to a reduced effective gas flow channel of 20.20‐45.15 nm caused by WPT, which suggests that tight rocks with smaller pore throats may be particularly sensitive to WPT damage. The relative size of the water film filling the pore throat, trapping gas, and reducing the effective gas flow channel together with the size of the pore throat itself were found to be the most common damage mechanisms of WPT and have proven to be fundamentally beneficial in understanding the controlling factors of these damage mechanisms.
GATA1 and cooperating mutations in myeloid leukaemia of Down syndrome
Authors: Garnett Catherine , Cruz Hernandez David , Vyas Paresh
Published: November 2019

Myeloid leukaemia of Down syndrome (ML‐DS) is an acute megakaryoblastic/erythroid leukaemia uniquely found in children with Down syndrome (constitutive trisomy 21). It has a unique clinical course, being preceded by a pre‐leukaemic condition known as transient abnormal myelopoiesis (TAM), and provides an excellent model to study multistep leukaemogenesis. Both TAM and ML‐DS blasts carry acquired N‐terminal truncating mutations in the erythro‐megakaryocytic transcription factor GATA1. These result in exclusive production of a shorter isoform (GATA1s). The majority of TAM cases resolve spontaneously without the need for treatment; however, around 10% acquire additional cooperating mutations and transform to leukaemia, with differentiation block and clinically significant cytopenias. Transformation is driven by the acquisition of additional mutation(s), which cooperate with GATA1s to perturb normal haematopoiesis.
Major vault protein plays important roles in viral infection
Authors: Wang Wei , Xiong Liang , Wang Pengyun , Wang Fubing , Ma Qingfeng
Published: November 2019

Viral replication and related protein expression inside the host cells, and host antiviral immune responses can lead to the occurrence of diverse diseases. With the outbreak of viral infection, a large number of newly diagnosed and died patients infected with various viruses are still reported every year. Viral infection has already been one of the major global public health issues and lead to huge economic and social burdens. Studying of viral pathogenesis is a very important way to find methods for prevention, diagnosis, and cure of viral infection; more evidence has confirmed that major vault protein (MVP) is closely associated with viral infection and pathogenesis, and this review is intended to provide a broad relationship between viruses and MVP to stimulate the interest of related researchers.
Shikonin improve sepsis‐induced lung injury via regulation of miRNA‐140‐5p/TLR4—a vitro and vivo study
Authors: Zhang Ying Ying , Liu Xue , Zhang Xiaojie , Zhang Jingjing
Published: November 2019

Shikonin is an anti‐inflammatory agent extracted from natural herbs. The aim of this study is to explain the treatment effects and mechanism of Shikonin in acute lung injury induced by sepsis. In this study, first, we evaluate different Shikonin concentrations for the anti‐inflammation of acute lung injury induced by sepsis in an in vivo study. On the basis of the results, we confirm that 50.0 mg/kg was the best therapeutic Shikonin concentration. As a second step, we discuss the mechanism of Shikonin by a vitro cell experiment. Finaly, we validate that Shikonin has effective treatment effects on acute lung injury via regulation of microRNA‐140‐5p/toll‐like receptor 4 (miRNA‐140‐5p/TLR4) in the in vivo study. The results of vitro and vivo study showed that Shikonin could improve acute lung injury induced by sepsis. The mechanism might be correlation miRNA‐140‐5p expression increasing, and regulated targeted gene TLR4, with TLR4 expression depressing, the downstream myeloid differentiation protein 88 and nuclear factor κB proteins expression were suppressed. In conclusion, Shikonin improved sepsis induced lung injury by regulation miRNA‐140‐5p/TLR4.