bluuebunny/crossref_metadata_2025_split huggingface dataset:
Best Practices for Preclinical In Vivo Testing of Cancer Nanomedicines
Authors: Valcourt Danielle M. , Kapadia Chintan H. , Scully Mackenzie A. , Dang Megan N. , Day Emily S. 
Published: May 2020

AbstractSignificant advances have been made in the development of nanoparticles for cancer treatment in recent years. Despite promising results in preclinical animal models, cancer nanomedicines often fail in clinical trials. This failure rate could be reduced by defining stringent criteria for testing and quality control during the design and development stages, and by performing carefully planned preclinical studies in relevant animal models. This article discusses best practices for the evaluation of nanomedicines in murine tumor models. First, a recommended set of experiments to perform is introduced, including discussion of the types of data to collect during these studies. This is followed by an outline of various tumor models and their clinical relevance. Next, different routes of nanoparticle administration are overviewed, followed by a summary of important controls to include in in vivo studies of nanomedicine. Finally, animal welfare considerations are discussed, and an overview of the steps involved in achieving US Food and Drug Administration approval after animal studies are completed is provided. Researchers should use this report as a guideline for effective preclinical evaluation of cancer nanomedicine. As the community adopts best practices for in vivo testing, the rate of clinical translation of cancer nanomedicines is likely to improve.
Multiphoton Fabrication of Proteinaceous Nanocomposite Microstructures with Photothermal Activity in the Infrared
Authors: Zeynali Amirbahador , Marini Mario , Chirico Giuseppe , Bouzin Margaux , Borzenkov Mykola , Sironi Laura , D'Alfonso Laura , Pallavicini Piersandro , Cassina Valeria , Mantegazza Francesco , Granucci Francesca , Marongiu Laura , Polli Dario , De la Cadena Alejandro , Collini Maddalena 
Published: May 2020

AbstractTwo‐photon laser writing is used here to fabricate 3D proteinaceous microstructures with photothermal functionality in the near‐infrared spectral region and tunable elasticity. The photo‐cross‐linking is initiated in bovine serum albumin (BSA) by rose bengal or methylene blue and the photo‐thermal effect arises from gold non‐spherically symmetric nanoparticles dispersed in the ink. Massive energy transfer of the plasmonic resonances of the gold nanoparticles to methylene blue prevents effective photo‐crosslinking of BSA. However, stable microstructures with photo‐thermal functionality can be fabricated in the rose bengal proteinaceous inks. On these microstructures, with a gold atom concentration as low as 1% w/w, a highly localized temperature increase can be quickly (≅1 s) reached and maintained under continuous wave laser irradiation at 800 nm. The photothermal efficiency under continuous wave laser irradiation depends on the thickness of the microstructure and can reach 12.2 ± 0.4 °C W−1 These proteinaceous microstructures represent therefore a promising platform for future applications in the fields like physical stimulation of cells for regenerative nanomedicine.
Infinite Parallel Plates Algorithm
Authors: Kim Mingyo , Hwang Chi‐Ok 
Published: May 2020

AbstractIn a diffusion Monte Carlo simulation, when diffusion starts between two parallel planes, the “walks‐on‐spheres” (WOS) algorithm is usually used. In this case, an absorption ε‐layer is used to terminate the diffusion. Here, based on isomorphism between the electrostatic Poisson problem and the corresponding diffusion motion expectation of the first passage, a new parallel‐plates algorithm is developed without an absorption layer, which induces another diffusion error in addition to the intrinsic Monte Carlo error. As there is not an analytic closed solution for the induced charge density on the parallel plates by a charge at the center between them, a series solution is used, combined with the acceptance–rejection sampling method. Using this algorithm, even though a series solution is used, it is shown that an exact sampling can be performed, which means that the random walk jump can be performed to the parallel planes without using the detailed WOS random walk jumps. It is verified that the proposed parallel plates algorithm is significantly more efficient than the current WOS algorithm.
Accessing the Two‐Electron Charge Storage Capacity of MnO2 in Mild Aqueous Electrolytes
Authors: Mateos Mickaël , Makivic Nikolina , Kim Yee‐Seul , Limoges Benoît , Balland Véronique 
Published: May 2020

AbstractRechargeable batteries based on MnO2 cathodes, able to operate in mild aqueous electrolytes, have attracted attention due to their appealing features for the design of low‐cost stationary energy storage devices. However, the charge/discharge mechanism of MnO2 in such media is still a matter of debate. Here, an in‐depth quantitative spectroelectrochemical analysis of MnO2 thin‐films provides a set of unrivaled mechanistic insights. A major finding is that charge storage occurs through the reversible two‐electron faradaic conversion of MnO2 into Mn2+ in the presence of a wide range of weak Brønsted acids, including the [Zn(H2O)6]2+ or [Mn(H2O)6]2+ complexes present in aqueous Zn/MnO2 batteries. Furthermore, it is shown that buffered electrolytes loaded with Mn2+ are ideal to achieve highly reversible conversion of MnO2 with both high gravimetric capacity and remarkably stable charging/discharging potentials. In the most favorable case, a record gravimetric capacity of 450 mA·h·g−1 is obtained at a high rate of 1.6 A·g−1, with a Coulombic efficiency close to 100% and a MnO2 utilization of 84%. Overall, the present results challenge the common view on MnO2 the charge storage mechanism in mild aqueous electrolytes and underline the benefit of buffered electrolytes for high‐performance rechargeable aqueous batteries.
Clinical Integration of Point‐of‐care Ultrasound by Emergency Medicine Residents: A Single‐center Mixed‐methods Study
Authors: Haney Rachel M. , Halperin Michael , Diamond Eden , Ratanski Daniel , Shokoohi Hamid , Huang Calvin , Liteplo Andrew S. 
Published: May 2020

AbstractBackgroundPoint‐of‐care ultrasound (POCUS) competence consists of image acquisition, image interpretation, and clinical integration. Limited data exist on POCUS usage patterns and clinical integration by emergency medicine (EM) residents. We sought to determine actual POCUS usage and clinical integration patterns by EM residents and to explore residents' perspectives on POCUS clinical integration.MethodsWe conducted an explanatory sequential mixed‐methods study at a 4‐year EM residency program. In phase 1, EM ultrasound (US) attendings observed PGY‐4 EM residents' clinical integration of POCUS in real time while on shift in the emergency department (ED). EM US attendings evaluated residents on their intent to perform POCUS, actual POCUS usage, and competence per patient encounter. We used logistic regression to analyze these parameters. In phase 2, we conducted semi‐structured interviews with the observed PGY‐4 residents regarding POCUS usage and clinical integration in the ED. We analyzed qualitative data for themes.ResultsEmergency medicine US attendings observed 10 PGY‐4 EM residents during 254 high‐acuity patient encounters from December 2018 to March 2019. EM US attendings considered POCUS indicated for 26% (66/254) of patients, possibly indicated for 12% (30/254) and not indicated for 62% (158/254). Of the 66 patients for whom EM US attendings considered POCUS indicated, PGY‐4s intended to perform POCUS for patient management 61% (40/66) of the time. PGY‐4s subsequently incorporated POCUS into patient management 73% (48/66) of the time. EM US attendings considered PGY‐4s entrustable to perform POCUS independently 81% (206/254) of the time. We did not find a statistically significant association between shift volume, shift type, or POCUS application, and resident intent to perform POCUS nor competence. Interviews identified three factors that influence PGY‐4's POCUS clinical integration: motivations to use POCUS, barriers to utilization, and POCUS educational methods.ConclusionsThis mixed‐methods study identified a significant gap in POCUS utilization and clinical integration by PGY‐4 EM residents for clinically indicated cases identified by EM US attendings. As clinical integration is a cornerstone of POCUS competence, it is important to ensure that EM resident POCUS curricula emphasize training on clinical utilization and indications for POCUS while on shift in the ED.
Is remnant pancreatic cancer after pancreatic resection more frequent in early‐stage pancreatic cancer than in advanced‐stage cancer?
Authors: Miyasaka Yoshihiro , Ohtsuka Takao , Kimura Ryuichiro , Matsuda Ryota , Mori Yasuhisa , Nakata Kohei , Watanabe Masato , Oda Yoshinao , Nakamura Masafumi 
Published: May 2020

AbstractAimAs the prognosis of patients who undergo resection for pancreatic cancer has improved, reports of remnant pancreatic cancer after pancreatic cancer resection have been increasing. Previous studies regarding early‐stage pancreatic cancer showed a high incidence of remnant pancreatic cancer in these patients. The aim of this study was to investigate the incidence of remnant pancreatic cancer according to the degree of progression of the initial pancreatic cancer.MethodsPatients who underwent partial pancreatic resection for primary pancreatic cancer were retrospectively reviewed and divided into an early‐stage group and an advanced‐stage group according to the stage of the initial cancer. Patient characteristics and long‐term outcomes, including development of remnant pancreatic cancer, were compared between the two groups.ResultsThis study included 321 patients who underwent partial pancreatectomy for pancreatic cancer; 32 patients in the early‐stage group and 289 patients in the advanced‐stage group. Remnant pancreatic cancer developed in 19 patients (5.9%); seven patients (21.9%) in the early‐stage group and 12 patients (4.5%) in the advanced‐stage group. The cumulative incidence of remnant pancreatic cancer according to the Kaplan–Meier method was comparable between the two groups (5‐year cumulative incidence: 20.6% vs 9.9%, early‐stage group vs advanced‐stage group; P = .1827).ConclusionOur results suggested that the potential for developing remnant pancreatic cancer was comparable between the early‐stage and the advanced‐stage groups. Therefore, the incidence of remnant pancreatic cancer may increase along with improved pancreatic cancer treatment.
Intracellular Entropy‐Driven Multi‐Bit DNA Computing for Tumor Progression Discrimination
Authors: Bai Min , Chen Feng , Cao Xiaowen , Zhao Yue , Xue Jing , Yu Xu , Fan Chunhai , Zhao Yongxi 
Published: May 2020

AbstractTumor progressions such as metastasis are complicated events that involve abnormal expression of different miRNAs and enzymes. Monitoring these biomolecules in live cells with computational DNA nanotechnology may enable discrimination of tumor progression via digital outputs. Herein, we report intracellular entropy‐driven multivalent DNA circuits to implement multi‐bit computing for simultaneous analysis of intracellular telomerase and microRNAs including miR‐21 and miR‐31. These three biomolecules can trigger respective DNA strand displacement recycling reactions for signal amplification. They are visualized by fluorescence imaging, and their signal outputs are encoded as multi‐bit binary codes for different cell types. The results can discriminate non‐tumorigenic, malignant and metastatic breast cells as well as respective tumors. This DNA computing circuit is further performed in a microfluidic chip to differentiate rare co‐cultured cells, which holds a potential for the analysis of clinical samples.
Characterization of the FeV=O Complex in the Pathway of Water Oxidation
Authors: Ezhov Roman , Ravari Alireza Karbakhsh , Pushkar Yulia 
Published: May 2020

AbstractHypervalent FeV=O species are implicated in a multitude of oxidative reactions of organic substrates, as well as in catalytic water oxidation, a reaction crucial for artificial photosynthesis. Spectroscopically characterized FeV species are exceedingly rare and, so far, were produced by the oxidation of Fe complexes with peroxy acids or H2O2: reactions that entail breaking of the O−O bond to form a FeV=O fragment. The key FeV=O species proposed to initiate the O−O bond formation in water oxidation reactions remained undetected, presumably due to their high reactivity. Here, we achieved freeze quench trapping of six coordinated [FeV=O,(OH)(Pytacn)]2+ (Pytacn=1‐(2′‐pyridylmethyl)‐4,7‐dimethyl‐1,4,7‐triazacyclononane) (2) generated during catalytic water oxidation. X‐ray absorption spectroscopy (XAS) confirmed the FeV oxidation state and the presence of a FeV=O bond at ≈1.60 Å. Combined EPR and DFT methods indicate that 2 contains a S=3/2 FeV center. 2 is the first spectroscopically characterized high spin oxo‐FeV complex and constitutes a paradigmatic example of the FeV=O(OH) species proposed to be responsible for catalytic water oxidation reactions.
A General Approach to Deboronative Radical Chain Reactions with Pinacol Alkylboronic Esters
Authors: André‐Joyaux Emy , Kuzovlev Andrey , Tappin Nicholas D. C. , Renaud Philippe 
Published: May 2020

AbstractThe generation of carbon‐centered radicals from air‐sensitive organoboron compounds through nucleohomolytic substitution at boron is a general method to generate non‐functionalized and functionalized radicals. Due to their reduced Lewis acidity, alkylboronic pinacol esters are not suitable substrates. We report their in situ conversion into alkylboronic catechol esters by boron‐transesterification with a substoichiometric amount of catechol methyl borate combined with an array of radical chain processes. This simple one‐pot radical‐chain deboronative method enables the conversion of pinacol boronic esters into iodides, bromides, chlorides, and thioethers. The process is also suitable the formation of nitriles and allylated compounds through C−C bond formation using sulfonyl radical traps. The power of combining radical and classical boron chemistry is illustrated with a modular 5‐membered ring formation using a combination of three‐component coupling and protodeboronative cyclization.
Visible‐Light‐Enabled Trifluoromethylative Pyridylation of Alkenes from Pyridines and Triflic Anhydride
Authors: Lee Kangjae , Lee Seojin , Kim Namhoon , Kim Seonyul , Hong Sungwoo 
Published: May 2020

AbstractA general strategy for visible‐light‐enabled site‐selective trifluoromethylative pyridylation of unactivated alkenes has been developed using pyridines and triflic anhydride (Tf2O). Intriguingly, the N‐triflylpyridinium salts, generated in situ from pyridines and Tf2O, serve as effective modular bifunctional reagents to install both CF3 and pyridyl groups to various olefins while controlling C4‐selectivity in radical addition to the pyridine core. This synthetic route exhibited broad substrate scope under metal‐free and mild photocatalytic conditions, granting efficient access to valuable C4‐alkylated pyridines and quinolines without requiring prefunctionalization of the reaction site.
Mechanochromic Delayed Fluorescence Switching in Propeller‐Shaped Carbazole–Isophthalonitrile Luminogens with Stimuli‐Responsive Intramolecular Charge‐Transfer Excited States
Authors: Yang Minlang , Park In Seob , Miyashita Yasuhiro , Tanaka Katsunori , Yasuda Takuma 
Published: May 2020

AbstractHerein, the universal design of high‐efficiency stimuli‐responsive luminous materials endowed with mechanochromic luminescence (MCL) and thermally activated delayed fluorescence (TADF) functions is reported. The origin of the unique stimuli‐triggered TADF switching for a series of carbazole–isophthalonitrile‐based donor–acceptor (D–A) luminogens is demonstrated based on systematic photophysical and X‐ray analysis, coupled with theoretical calculations. It was revealed that a tiny alteration of the intramolecular D–A twisting in the excited‐state structures governed by the solid morphologies is responsible for this dynamic TADF switching behavior. This concept is applicable to the fabrication of bicolor emissive organic light‐emitting diodes using a single TADF emitter.
Two Colour Photoflow Chemistry for Macromolecular Design
Authors: Van De Walle Matthias , De Bruycker Kevin , Blinco James P. , Barner‐Kowollik Christopher 
Published: May 2020

AbstractWe report a photochemical flow setup that exploits λ‐orthogonal reactions using two different colours of light (λ1=350 nm and λ2=410 nm) in sequential on‐line irradiation steps. Critically, both photochemically reactive units (a visible‐light reactive chalcone and a UV‐activated photo‐caged diene) are present in the reaction mixture. We demonstrate the power of two colour photoflow by the wavelength‐selective end group modification of photo‐caged polymer end groups and the subsequent polymer ring closure driven by a [2+2] cycloaddition. Importantly, we evidence that the high energy gate does not induce the visible light reaction of the chalcone, which attests the true λ‐orthogonal nature of the flow reaction system. For the first time, this study opens the realm of photoflow reactions to λ‐orthogonal photochemistry.
Spray‐Coating of Catalytically Active MOF–Polythiourea through Postsynthetic Polymerization
Authors: Kalaj Mark , Cohen Seth M. 
Published: May 2020

AbstractA UiO‐66‐NCS MOF was formed by postsynthetic modification of UiO‐66‐NH2. The UiO‐66‐NCS MOFs displays a circa 20‐fold increase in activity against the chemical warfare agent simulant dimethyl‐4‐nitrophenyl phosphate (DMNP) compared to UiO‐66‐NH2, making it the most active MOF materials using a validated high‐throughput screening. The −NCS functional groups provide reactive handles for postsynthetic polymerization of the MOFs into functional materials. These MOFs can be tethered to amine‐terminated polypropylene polymers (Jeffamines) through a facile room‐temperature synthesis with no byproducts. The MOFs are then crosslinked into a MOF–polythiourea (MOF–PTU) composite material, maintaining the catalytic properties of the MOF and the flexibility of the polymer. This MOF–PTU hybrid material was spray‐coated onto Nyco textile fibers, displaying excellent adhesion to the fiber surface. The spray‐coated fibers were screened for the degradation of DMNP and showed durable catalytic reactivity.
Superwetting Patterned Membranes with an Anisotropy/Isotropy Transition: Towards Signal Expression and Liquid Permeation
Authors: Qu Ruixiang , Li Xiangyu , Liu Yanan , Zhai Huajun , Zhao Shuaiheng , Feng Lin , Wei Yen 
Published: May 2020

AbstractSuperwetting membranes with responsive properties have attracted heightened attention because of their fine‐tunable surface wettability. However, their functional diversity is severely limited by the “black‐or‐white” wettability transition. Herein, we describe a coating strategy to fabricate multifunctional responsive superwetting membranes with SiO2/octadecylamine patterns. The adjustable patterns in the responsive region are the key factor for functional diversity. Specifically, the coated part of the membrane displayed a superhydrophobicity/superhydrophilicity transition at different pH values, whereas the uncoated part exhibited invariant superhydrophilicity. On the basis of this anisotropy/isotropy transition, the membranes can serve as either responsive permeable membranes or signal‐expression membranes, thus enabling the responsive separation and permeation of liquids with satisfactory separation efficiency (>99.90 %) and flux (ca. 60 L m−2 h), as well as real‐time liquid signal expression with alterable signals.
Electrocatalytically Active Fe‐(O‐C2)4 Single‐Atom Sites for Efficient Reduction of Nitrogen to Ammonia
Authors: Zhang Shengbo , Jin Meng , Shi Tongfei , Han Miaomiao , Sun Qiao , Lin Yue , Ding Zhenhua , Zheng Li Rong , Wang Guozhong , Zhang Yunxia , Zhang Haimin , Zhao Huijun 
Published: May 2020

AbstractSingle‐atom catalysts have demonstrated their superiority over other types of catalysts for various reactions. However, the reported nitrogen reduction reaction single‐atom electrocatalysts for the nitrogen reduction reaction exclusively utilize metal–nitrogen or metal–carbon coordination configurations as catalytic active sites. Here, we report a Fe single‐atom electrocatalyst supported on low‐cost, nitrogen‐free lignocellulose‐derived carbon. The extended X‐ray absorption fine structure spectra confirm that Fe atoms are anchored to the support via the Fe‐(O‐C2)4 coordination configuration. Density functional theory calculations identify Fe‐(O‐C2)4 as the active site for the nitrogen reduction reaction. An electrode consisting of the electrocatalyst loaded on carbon cloth can afford a NH3 yield rate and faradaic efficiency of 32.1 μg h−1 mgcat.−1 (5350 μg h−1 mgFe−1) and 29.3 %, respectively. An exceptional NH3 yield rate of 307.7 μg h−1 mgcat.−1 (51 283 μg h−1 mgFe−1) with a near record faradaic efficiency of 51.0 % can be achieved with the electrocatalyst immobilized on a glassy carbon electrode.
Effect of gamma irradiation on the oxygen barrier properties in ethyl‐vinyl acetate/ethylene‐vinyl alcohol/ethyl‐vinyl acetate multilayer film
Authors: Dorey Samuel , Gaston Fanny , Girard‐Perier Nina , Dupuy Nathalie , Marque Sylvain R.A. , Delaunay Lucie 
Published: May 2020

AbstractThe potential changes of single‐use plastic materials (EVA/EVOH/EVA multilayer film in this study) used in biopharmaceutical and food‐packaging industries are investigated after several gamma irradiation doses: 30, 50, 115, and 270 kGy, and for nonsterilized samples (0 kGy) from a point of view of mechanical properties, thermal properties and permeability properties. Tensile tests, differential scanning calorimetry (DSC), oxygen transmission rate (OTR) and water vapor transmission rate (WVTR) are performed on the multilayer film. For irradiation doses below 50 kGy, thermal and water vapor barrier properties are not altered. For higher doses (50 to 270 kGy), mechanical, thermal and water vapor barrier properties are slightly altered whereas oxygen barrier property decreases from 13 to 27 cm3.m−2.day−1. This slight change is shown not to happen due to chain entanglement or chain mobility loss in the amorphous phase of the different polymers. It rather comes from a change of the chemical environment of the EVOH layer.
Evaluating nonlinear maximum likelihood optimal estimation uncertainty in cloud and aerosol remote sensing
Authors: Western Luke M. , Rougier Jonathan C. , Watson I. Matthew , Francis Peter N. 
Published: May 2020

AbstractUncertainty estimates are important when retrieving properties of clouds and aerosols from satellites measurements. These measurements must be interpreted using a form of inverse theory, such as optimal estimation. In atmospheric remote sensing these inverse methods often assume that the forward model is linear in the region of uncertainty. This assumption is not necessarily valid. This paper presents an exact confidence procedure in contrast to the linear approximation using a maximum likelihood estimator. Two simple examples of retrieving the effective radius and optical depth of a volcanic ash cloud and water cloud show a discrepancy between the linear approximation and the exact procedure. The exact procedure is especially useful for inference where the entire parameter space has been forward modelled prior to or during the retrieval, such as using look up tables. When the inference method calculates the likelihood over the whole parameter space, it is less computationally expensive than a linear approximation.