bluuebunny/crossref_metadata_2025_split huggingface dataset:
3D Adipose Tissue Culture Links the Organotypic Microenvironment to Improved Adipogenesis
Authors: Shen Joanne X. , Couchet Morgane , Dufau Jérémy , de Castro Barbosa Thais , Ulbrich Maximilian H. , Helmstädter Martin , Kemas Aurino M. , Zandi Shafagh Reza , Marques Marie‐Adeline , Hansen Jacob B. , Mejhert Niklas , Langin Dominique , Rydén Mikael , Lauschke Volker M. 
Published: June 2021

AbstractObesity and type 2 diabetes are strongly associated with adipose tissue dysfunction and impaired adipogenesis. Understanding the molecular underpinnings that control adipogenesis is thus of fundamental importance for the development of novel therapeutics against metabolic disorders. However, translational approaches are hampered as current models do not accurately recapitulate adipogenesis. Here, a scaffold‐free versatile 3D adipocyte culture platform with chemically defined conditions is presented in which primary human preadipocytes accurately recapitulate adipogenesis. Following differentiation, multi‐omics profiling and functional tests demonstrate that 3D adipocyte cultures feature mature molecular and cellular phenotypes similar to freshly isolated mature adipocytes. Spheroids exhibit physiologically relevant gene expression signatures with 4704 differentially expressed genes compared to conventional 2D cultures (false discovery rate < 0.05), including the concerted expression of factors shaping the adipogenic niche. Furthermore, lipid profiles of >1000 lipid species closely resemble patterns of the corresponding isogenic mature adipocytes in vivo (R2 = 0.97). Integration of multi‐omics signatures with analyses of the activity profiles of 503 transcription factors using global promoter motif inference reveals a complex signaling network, involving YAP, Hedgehog, and TGFβ signaling, that links the organotypic microenvironment in 3D culture to the activation and reinforcement of PPARγ and CEBP activity resulting in improved adipogenesis.
Intravital Whole‐Process Monitoring Thermo‐Chemotherapy Via 2D Silicon Nanoplatform: A Macro Guidance and Long‐Term Microscopic Precise Imaging Strategy
Authors: Huang Doudou , Wang Guangxing , Mao Jingsong , Liu Chunlei , Fan Zhongxiong , Zhang Yunrui , Zhang Bei , Zhao Yang , Dai Cuixia , He Yaqin , Ma Heng , Liu Gang , Chen Xiaoyuan , Zhao Qingliang 
Published: June 2021

AbstractTumor angiogenesis is a complex process that is unamenable to intravital whole‐process monitoring, especially on microscopic assessment of tumor microvessel and quantifying microvascular hemodynamics before and after the nanotherapeutics, which hinder the understanding of nanotheranostics outcomes in tumor treatment. Herein, a new photoacoustic (PA) imaging‐optical coherence tomography angiography (OCTA)‐laser speckle (LS) multimodal imaging strategy is first proposed, which is not only able to precisely macro guide the thermo‐chemotherapy of tumor by monitoring blood oxygen saturation (SaO2) and hemoglobin content (HbT), but also capable of long‐term microscopic investigating the microvessel morphology (microvascular density) and hemodynamics changes (relative blood flow) before and after the nanotherapeutics in vivo. Moreover, to realize the tumor thermo‐chemotherapy treatment based on this novel multimodal imaging strategy, a 2D 5‐fluorouracil silicon nanosheets (5‐Fu‐Si NSs) therapeutic agent is designed. Furthermore, 2D high‐resolution tumor microvascular images in different stage display that tendency of the thermo‐chemotherapy effect is closely associated with tumor angiogenesis. Taken together, the investigations establish the fundamental base in theory and technology for further tailoring the novel specific diagnosis and treatment strategy in tumor. More importantly, this technique will be beneficial to evaluate the tumor microvascular response to nanotherapeutics at microscale.
Relation between Spherulitic Growth, Molecular Organization, and Charge Carrier Transport in Meniscus‐Guided Coated Organic Semiconducting Films
Authors: Zhang Ke , Borkowski Michal , Wucher Philipp , Beaujuge Pierre M. , Michels Jasper J. , Blom Paul. W. M. , Marszalek Tomasz , Pisula Wojciech 
Published: June 2021

AbstractMeniscus‐guided coating (MGC) is an efficient and promising route to grow small molecule and polymer organic semiconductors (OSCs) into highly ordered and uniaxially orientated thin films for electronic applications. In this work, the impact of domain size and molecular order on the charge carrier transport in field‐effect transistors for a molecular organic semiconductor 4‐tolyl‐bithiophenyl‐diketopyrrolopyrrole (DPP(Th2Bn)2) is investigated. The spherulitic domain growth of DPP(Th2Bn)2 in thin films is controlled in the evaporative regime of zone‐casting by varying the substrate velocity. The decrease of coating velocity leads to a lower nucleation density and larger domain size of DPP(Th2Bn)2. At sufficiently low velocity, the spherulitic domains first elongate and then uniaxially grow in the coating direction. Although at the same time the molecular order decreases due to higher film thickness, the charge carrier transport improves for larger domain size and reduced density of boundaries in the transistor channel. These results provide insight on the relation between domain growth, molecular organization, and charge carrier transport in zone‐cast OSC thin films that are important for the upscaling of the technique for practical applications.
Computational Studies on Reaction Mechanisms and Origin of Stereoselectivity in the [1,3]‐Rearrangement of Ene‐Aldimines
Authors: Momiyama Norie , Honda Yasushi , Suzuki Toshiyasu , Jongwohan Chanantida 
Published: June 2021

AbstractThe mechanism of Brønsted acid‐initiated formal [1,3]‐rearrangement was rationalized using density functional theory (DFT) calculations. The computed mechanism comprises I) fragmentation: (a) imino‐nitrogen protonation, (b) proton transfer to olefin, (c) 1,2‐shift, and (d) C−C bond cleavage, and II) product formation: (e) methylene addition, (f) azonia‐[3,3]‐sigmatropic rearrangement, and (g) methylene elimination. The ene‐aldimine fragmentation to the 2‐azaallenium cation was found to be a highly reactive intermediate and the real catalyst species. The stereoselectivity for asymmetric formal [1,3]‐rearrangement of optically pure ene‐aldimine is in good agreement with chair transition state of azonia‐[3,3]‐sigmatropic rearrangement step and is supported by DFT calculation. Our computational study provides important mechanistic insights for ene‐aldimine rearrangements and guides the design of chiral catalysts for rearrangement process.
N‐Monomethylation of Amines with Methanol by Syndiotactic Poly(aminostyrene)‐supported Palladium Nanoparticle Catalyst
Authors: Jiang Lei , Zhang Xiaoyan , Wang Yinran , Guo Fang , Hou Zhaomin 
Published: June 2021

AbstractPalladium nanocatalyst supported on dimethylamino‐functionalized syndiotactic polystyrene (Pd@sPS‐NMe2) showed high activity and selectivity for the N‐monomethylation of various primary amines using methanol as methylation reagent under air. The excellent catalytic performance could be associated with the ultrafine palladium nanoparticles and high amine‐adsorbing capacity of the catalyst. The Pd@sPS‐NMe2 catalyst was highly robust, and could be easily recovered by filtration and reused more than ten times without decrease in activity and selectivity.
Photoredox‐Catalyst‐Enabled para‐Selective Trifluoromethylation of tert‐Butyl Arylcarbamates
Authors: Jiang Yaqiqi , Li Bao , Ma Nana , Shu Sai , Chen Yujie , Yang Shan , Huang Zhibin , Shi Daqing , Zhao Yingsheng 
Published: June 2021

AbstractThe direct incorporation of a trifluoromethyl group on an aromatic ring using a radical pathway has been extensively investigated. However, the direct highly para‐selective C−H trifluoromethylation of a class of arenes has not been achieved. In this study, we report a light‐promoted 4,5‐dichlorofluorescein (DCFS)‐enabled para‐selective C−H trifluoromethylation of arylcarbamates using Langlois reagent. The preliminary mechanistic study revealed that the activated organic photocatalyst coordinated with the arylcarbamate led to para‐selective C−H trifluoromethylation. Ten‐gram scale reaction performs well highlighting the synthetic importance of this new protocol.
Carbon nanotube/polypropylene/polycarbonate conductive nanocomposite films: Preparation and characterization
Authors: Li Ting‐Ting , Zhang Xiaoyang , Wang Yanting , Sun Fei , Xu Jiawen , Lou Ching‐Wen , Lin Jia‐Horng 
Published: June 2021

AbstractIn this study, CNT/PP/PC conductive composite films were prepared by compounding PP (polypropylene)/PC (polycarbonate) (1:1) and carbon nanotubes (CNT) using a physical blending and hot pressing method. Next, Fourier transform infrared spectroscopy, thermogravimetric analysis, differential scanning calorimetry, and water contact angle measurement are conducted in order to characterize the properties of CNT/PP/PC conductive films. The results showed there is no chemical reaction inside the PP/PC composite film with the addition of CNT. Neither the CNT composite film containing 3 wt% nor the control film decomposed thermally within 220°C. The water contact angle increased from 88.5° for the control film to 110.99° for the composite film containing 3 wt% CNT. This indicates that the film has good thermal stability and hydrophobic properties. The percolation threshold was obtained when the content of CNT was 3 wt%, and the best conductivity of the CNT/PP/PC composite film was 5.53 S/m at this time. In order to improve the tensile properties of the film, a small amount of polyurethane (TPU) was added to the film, and the maximum tensile strength was 24.91 Mpa when the content of TPU was 6.7%. This study can provide a strategy for the practical application of flexible electronic devices.
Functionalized polythiophene for corrosion inhibition and photovoltaic application
Authors: Yadav Pravesh Kumar , Prakash Om , Ray Biswajit , Maiti Pralay 
Published: June 2021

AbstractConjugated polymers are encouraging substitute for creating clean and renewable energy for photoinduced charge generation and transport media in polymer solar cells (PSCs). Successful synthesis of a new solution processable n‐type polythiophene based π‐conjugated polymer (P3HT‐CN) is done where polythiophene units are substituted by cyano groups through post functionalization approach of synthesized P3HT which is cheap, stable, easily prepared, and inert against ambient conditions and is expected to be a competitive candidate for the acceptor material in non fullerene acceptors (NFAs) PSCs against fullerene derivative and used as the highly efficient active layer in the bulk heterojunction (BHJ) which increase the donor‐acceptor interfacial area through controlling the phase separation indicating device structure ITO/PEDOT:PSS/P3HT:P3HT‐CN/Al. Photovoltaic measurement of this PSCs device based on P3HT:P3HT‐CN demonstrate the PCE of 0.008% with an increased short circuit current density (Jsc) of 0.11 mA cm−2. The thermal, optical, and electrochemical properties are examined in detail showing high thermal stability, absorbance in the visible part of the solar spectrum, higher charge carrier mobility, and also mixed type corrosion inhibitive behavior with 90 and 78% inhibitor efficiency for P3HT and P3HT‐CN, respectively, built this class of material as smart which can be used for many other applications.
Evaluating the vulnerability of coralligenous epifauna to macroalgal invasions
Authors: Navarro‐Barranco Carlos , Moreira Juan , Espinosa Free , Ros Macarena , Rallis Ioannis , Sempere‐Valverde Juan , Ostalé‐Valriberas Enrique , Altamirano María , García‐Gómez J. Carlos , Guerra‐García José M. 
Published: June 2021

Abstract

This work constitutes the first comprehensive study of the epifaunal response to biological invasions in coralligenous habitats, which are one of the main hotspots of biodiversity in the Mediterranean.
The epifaunal community inhabiting the invasive macroalga Rugulopteryx okamurae and other dominant sessile hosts on coralligenous habitats (i.e. the sponge Spongia lamella, the gorgonian Paramuricea clavata, and the macroalga Sphaerococcus coronopifolius) was characterized. A total of 137 taxa were found.
There was a lack of functional equivalence between macroalgal species (both native and invasive) and sessile invertebrates. Despite the absence of significant differences in mean density values and number of species per replicate among host species, epifaunal composition on gorgonians and sponges differed significantly from that on both macroalgae.
Epifaunal assemblages, especially those inhabiting macroalgal species, were dominated by generalist detritivorous species that can inhabit different hosts, while specialized interactions between mobile epifauna and sessile hosts were observed almost exclusively on sessile invertebrates. Moreover, epifaunal community associated with invertebrate hosts showed higher spatial heterogeneity in comparison with native and invasive macroalgae.
A competitive displacement of native hosts by the spreading of R. okamurae on coralligenous habitats would likely result in a biotic impoverishment in terms of overall number of species and a taxonomical and functional homogenization of the epifaunal community. Specialist species with a heterogeneous distribution could be gradually replaced by a spatially homogeneous assemblage dominated by generalist species.
Recent decreases in domestic energy consumption in the United Kingdom attributed to human influence on the climate
Authors: Christidis Nikolaos , McCarthy Mark , Stott Peter A. 
Published: June 2021

AbstractDomestic energy consumption in the United Kingdom depends on both meteorological and socio‐economic factors. The former are dominated by the effect of temperature during the colder months of the year, with the energy demand increasing as the temperature decreases. Warming of the UK climate under the influence of anthropogenic forcings is therefore expected to lead to a reduction in domestic energy consumption. Here, we present an end‐to‐end attribution study that investigates whether the anthropogenic effect on consumption is already evident in the United Kingdom. We analyse data of gas and electricity use in UK households during 2008–2019 and use a simple linear model to express the temperature dependence. Uncertainties in the resulting transfer functions are derived with a recent methodology, originally introduced for downscaling purposes, but adapted here for use in impact studies. The transfer functions are applied to temperature data from simulations with and without the effect of human influence on the climate, generated by 11 state‐of‐the‐art climate models. We thus assess the anthropogenic impact on energy consumption during the reference period by comparing it with what it might have been in a climate without anthropogenic climate change, but at the same level of adaptation. We find that without human influence on the climate, UK households would consume on average about 1,400 kWh more per year, which would increase the annual energy bills by about 70 GBP. Our attribution assessment provides useful evidence of an impact that has already emerged, which can help inform UK's adaptation plans as the climate continues to warm.
From cosmic matter to the laboratory
Authors: Motornenko Anton , Steinheimer Jan , Stoecker Horst 
Published: June 2021

AbstractThe recent discovery of binary neutron star mergers has opened a new and exciting venue of research into hot and dense strongly interacting matter. For the first time, this elusive state of matter, described by the theory of quantum chromo dynamics, can be studied in two very different environments. On the macroscopic scale, in the collisions of neutron stars; and on the microscopic scale, in collisions of heavy ions at particle collider facilities. We will discuss the conditions that are created in these mergers and the corresponding high energy nuclear collisions. This includes the properties of quantum chromo dynamics matter, that is, the expected equation of state as well as expected chemical and thermodynamic properties of this exotic matter. To explore this matter in the laboratory, a new research prospect is available at the Facility for Antiproton and Ion Research, FAIR. The new facility is being constructed adjacent to the existing accelerator complex of the GSI Helmholtz Centre for Heavy Ion Research at Darmstadt/Germany, expanding the research goals and technical possibilities substantially. The worldwide unique accelerator and experimental facilities of FAIR will open the way for a broad spectrum of unprecedented research supplying a variety of experiments in hadron, nuclear, atomic, and plasma physics as well as biomedical and material science, which will be briefly described.
The association of in utero tobacco smoke exposure, quantified by serum cotinine, and Autism Spectrum Disorder
Authors: Berger Kimberly , Pearl Michelle , Kharrazi Marty , Li Ying , DeGuzman Josephine , She Jianwen , Behniwal Paramjit , Lyall Kristen , Windham Gayle 
Published: June 2021

AbstractPrevious studies on in utero exposure to maternal environmental tobacco smoke (ETS) or maternal active smoking and Autism Spectrum Disorder (ASD) have not been entirely consistent, and no studies have examined in utero cotinine concentrations as an exposure classification method. We measured cotinine in stored second trimester maternal serum for 498 ASD cases and 499 controls born in California in 2011–2012. We also obtained self‐reported maternal cigarette smoking during and immediately prior to pregnancy, as well as covariate data, from birth records. Using unconditional logistic regression, we found no association between log10 cotinine concentrations and odds for developing ASD among children of non‐smokers (aOR: 0.93 [95% CI: 0.69, 1.25] per ng/ml), which represents exposure to ETS, though there may be a possible interaction with race. We found no association between cotinine‐defined smoking (≥3.08 ng/ml vs. <3.08 ng/ml) (adjusted odds ratio [aOR]: 0.73 (95% confidence interval [95% CI]: 0.35, 1.54)) or self‐reported smoking (aOR: 1.64 [95% CI: 0.65, 4.16]) and ASD. In one of the few studies of ETS and the first with measured cotinine, our results indicate no overall relationship between in utero exposure to tobacco smoke from maternal ETS exposure or active smoking, and development of ASD.Lay SummaryThis study found that women who smoke or are exposed to tobacco smoke during pregnancy are not more likely to have children with Autism Spectrum Disorder (ASD). This is the first ASD study to measure a chemical in the mother's blood during pregnancy to identify exposure to tobacco smoke.
Determination of nootkatone in rat plasma by LC–tandem mass spectrometry and its application in a pharmacokinetic study
Authors: Qin Zhen‐miao , Li Yong‐hui , Tan Yin‐feng , Li Hai‐long 
Published: June 2021

AbstractThis study aimed to develop a rapid, sensitive, and specific LC–tandem mass spectrometry method for the determination of nootkatone in rat plasma. α‐Cyperone was chosen as the internal standard (IS). The plasma was processed using a one‐step acetonitrile protein precipitation method. Chromatographic separation of nootkatone was achieved on a Phenomenex Kinetex XB‐C18 column (2.10 × 50 mm, 2.6 μm) at 35°C with a mobile phase consisting of acetonitrile and water under a gradient elution at a flow rate of 0.35 mL/min. An electrospray ionization source was applied and operated in positive ion and multiple reaction monitoring modes. Nootkatone and IS were quantified using the transitions of m/z 219.200 → 163.110 and m/z 219.200 → 111.000, respectively. The calibration curves were linear over the range of 10–2000 ng/mL (r = 0.9943). The lower limit of quantification was 10 ng/mL. The intra‐ and inter‐day precision (relative standard deviation) ranged from 2.56% to 8.41%, with the accuracy values ranging from 98.9% to 99.17% for four different concentration levels. The matrix effect and extraction recovery were within acceptable limits. The validated method was successfully applied to the pharmacokinetic study of nootkatone in rats after oral and intravenous administration at three dosages. The main pharmacokinetic parameters were calculated, showing low bioavailability of nootkatone.
A high‐throughput and simultaneous determination of combretastatin A‐4 phosphate and its metabolites in human plasma using HPLC–MS/MS: Application to a clinical pharmacokinetic study
Authors: Wu Qizhen , Wang Qian , Wang Yixuan , Huang Jingqiu , Fang Yalin , Wu Weiyi , Wu Wenying , Wu Fanhong , Yu Xiaodong , Sun Yan 
Published: June 2021

AbstractTo investigate the clinical pharmacokinetics of CA4P, a high‐throughput high‐performance liquid chromatography–tandem mass spectrometry assay with an identical positive electrospray ionization (ESI) mode was developed for the simultaneous determination of CA4P, its active metabolite CA4, and CA4 glucuronide in human plasma. CA4P and CA4 were easier to protonate in positive ESI mode, whereas CA4G was reported to produce deprotonated ion in negative ESI mode. Because the baseline separation of CA4P and CA4G could not be achieved, using MS positive/negative ion switching is not feasible. In this study, an abundant ammonium adduct ion of CA4G in ESI+ was observed as an ideal precursor ion. The final precursor/product transition pairs chosen for CA4P, CA4, and CA4G were at m/z 397/350, 317/286, and 510/317, respectively. To the best of our knowledge, it is the first report on the simultaneous quantification of CA4P, CA4, and CA4G in biological samples. The proposed method was validated, which showed a wide linear dynamic range, high selectivity and sensitivity, good repeatability, and a short run time. Compared with the literatures, the lower limits of quantification were five‐ and two‐fold more sensitive for CA4G and CA4, respectively. Therefore, this method was successfully applied to the pharmacokinetic study of CA4P in phase I clinical trial.