bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exact Solutions of the Richards Equation With Nonlinear Plant‐Root Extraction
Authors: Broadbridge Philip , Daly Edoardo , Goard Joanna 
Published: November 2017

AbstractThe Richards equation, commonly used to model water flow in unsaturated soils, is highly nonlinear, thus making it very challenging to solve analytically for situations meaningful in practical applications. The inclusion of realistic forms of root‐water uptake rates in this equation adds complications in deriving exact solutions. This study provides for the first time analytical solutions of the Richards equation with a sink term nonlinearly dependent on soil water content. These solutions are applied to irrigation furrows, using Cartesian coordinates, and irrigation from a circular plate, in cylindrical coordinates.
Theoretical and Numerical Investigation of the Cavity Evolution in Gypsum Rock
Authors: Li Wei , Einstein Herbert H. 
Published: November 2017

AbstractWhen water flows through a preexisting cylindrical tube in gypsum rock, the nonuniform dissolution alters the tube into an enlarged tapered tube. A 2‐D analytical model is developed to study the transport‐controlled dissolution in an enlarged tapered tube, with explicit consideration of the tapered geometry and induced radial flow. The analytical model shows that the Graetz solution can be extended to model dissolution in the tapered tube. An alternative form of the governing equations is proposed to take advantage of the invariant quantities in the Graetz solution to facilitate modeling cavity evolution in gypsum rock. A 2‐D finite volume model was developed to validate the extended Graetz solution. The time evolution of the transport‐controlled and the reaction‐controlled dissolution models for a single tube with time‐invariant flow rate are compared. This comparison shows that for time‐invariant flow rate, the reaction‐controlled dissolution model produces a positive feedback between the tube enlargement and dissolution, while the transport‐controlled dissolution does not.
Three‐Component Coupling Reactions of Maleimides, Thiols, and Amines: One‐Step Construction of 3,4‐Heteroatom‐functionalized Maleimides by Copper‐Catalyzed C(sp2)−H Thioamination
Authors: Yang Zhen‐Hua , Tan Hong‐Ru , An Yu‐Long , Zhao Yu‐Wei , Lin Hao‐Peng , Zhao Sheng‐Yin 
Published: November 2017

AbstractA copper‐catalyzed intermolecular thioamination of maleimides with thiols and amines has been developed. A diverse range of 3‐amino‐4‐thiomaleimides and 3,4‐dihydropyrrolo[3,4‐b][1,4]thiazine‐5,7(2H,6H)‐diones were obtained with good yields, involving C−N and C−S bond formations. This methodology is very practical and features high atom economy, excellent functional group tolerance.magnified image
Results of a phase 1 study of quizartinib as maintenance therapy in subjects with acute myeloid leukemia in remission following allogeneic hematopoietic stem cell transplant
Authors: Sandmaier Brenda M. , Khaled Samer , Oran Betül , Gammon Guy , Trone Denise , Frankfurt Olga 
Published: November 2017

AbstractFLT3‐ITD–mutated acute myeloid leukemia (AML) has very high risk of relapse and is associated with poor outcome following allogeneic hematopoietic‐cell transplant (allo‐HCT). This two‐part, phase 1, multicenter, open‐label, sequential‐group, dose‐escalation study aimed to determine dose‐limiting toxicities (DLTs), maximum tolerated dose (MTD), and safety/tolerability of quizartinib, a selective and highly potent FLT3 inhibitor, when administered as maintenance therapy after allo‐HCT. Thirteen subjects with documented FLT3‐ITD–mutated AML in morphological remission following allo‐HCT received one of two quizartinib dihydrochloride dose levels (DL): 40 mg/d (DL1; n = 7) and 60 mg/d (DL2; n = 6), administered orally in 28‐day cycles for up to 24 cycles. Median age of participants was 43 years. All subjects received human leukocyte antigen (HLA)‐matched allo‐HCT. One subject treated at DL1 and 1 treated at DL2 had DLTs that required drug interruption (grade 3 gastric hemorrhage and grade 3 anemia, respectively). Ten subjects (77%) received quizartinib for >1 year; 5 (38%) completed 24 cycles. Four subjects (31%) discontinued quizartinib due to adverse events. One subject (8%) experienced relapse during cycle 1 and discontinued treatment. Most common grade 3/4 adverse events were neutropenia (23%), anemia (15%), leukopenia (15%), lymphopenia (15%), and thrombocytopenia (15%). This study demonstrated acceptable tolerability and early evidence of reduced relapse rate following allo‐HCT with quizartinib maintenance compared to historical cohorts. No MTD was identified, but 60 mg daily was selected as highest dose for continuous daily administration based on randomized comparison of daily 30 and 60 mg doses in relapsed/refractory AML.
Perceptions of health and cancer risk among newly recruited firefighters in South Florida
Authors: Schaefer Solle Natasha , Caban‐Martinez Alberto J. , Levy Rachel A. , Young BreAnn , Lee David , Harrison Tyler , Kobetz Erin 
Published: November 2017

PurposeDespite hazardous exposures to cancer‐causing agents in the line of duty, the main health and safety concerns of active firefighters have yet to be studied. We compare the perceptions of health and cancer risks between rookie and experienced firefighters.MethodsFocus groups were used to investigate potential risk of job exposures, and broad‐based concerns regarding work and health. An 18‐item demographic survey was also administered. Five focus group sessions were conducted with a total of 57 firefighters.ResultsOur findings indicate that both rookie and experienced firefighters have a “high risk, high reward” mindset and identify injury, chronic disease, and stress as main health concerns. Experienced firefighters reported a shift in firefighter culture related to health.ConclusionThe perception of health and cancer risk of rookie and experienced firefighters differ in the prioritization of their concerns, however both groups equally report occupational cancer risk as their main health concern.
Catalytic Oxidation of Alkynes into 1,2‐Diketone Derivatives by Using a PdII/Lewis‐Acid Catalyst
Authors: Xue Jing‐Wen , Zeng Miao , Hou Xianfei , Chen Zhuqi , Yin Guochuan 
Published: November 2017

AbstractA new synthetic method has been developed for the efficient oxidation of alkynes into 1,2‐diketones by using a PdII/Lewis acid catalytic system using DMSO as the oxidant and solvent. Under our optimized reaction conditions, this approach tolerated a variety of functional groups and afforded 1,2‐diketone derivatives in 62–99 % yields. This work demonstrated that the addition of non‐redox‐active metal ions, such as AlIII, to Pd(OAc)2 could dramatically improve its catalytic efficiency for alkyne oxidation, whilst reactions with Pd(OAc)2 alone were sluggish and afforded a low yield of the corresponding diketone. Based on NMR and UV/Vis analysis, a heterobimetallic PdII/AlIII species was proposed for alkyne oxidation by adding AlCl3 to Pd(OAc)2 in DMSO. The catalytic efficiency of the PdII species was improved by the linkage of AlIII to the PdII species, which made the PdII species more electron deficient. This method may have the potential to become a simple, efficient procedure for the synthesis of 1,2‐diketone derivatives.
Investigating cranial morphological variation of early human skeletal remains from Chile: A 3D geometric morphometric approach
Authors: Kuzminsky Susan C. , Reyes Báez Omar , Arriaza Bernardo , Méndez César , Standen Vivien G. , San Román Manuel , Muñoz Iván , Durán Herrera Ángel , Hubbe Mark 
Published: November 2017

AbstractObjectivesArchaeological and genetic research has demonstrated that the Pacific Coast was a key route in the early colonization of South America. Research examining South American skeletons >8000 cal BP has revealed differences in cranial morphology between early and late Holocene populations, which may reflect distinct migration events and/or populations. However, genetic, cultural, and some skeletal data contradict this model. Given these discrepancies, this study examines ∼9000 years of prehistory to test the hypothesis that Early skeletons have a distinct cranial morphology from later skeletons.Materials and MethodsUsing 3D digital models, craniofacial landmarks, and geometric morphometric analyses, we compared Early Holocene crania (n = 4) to later Chilean samples (n = 90) frequently absent in continental assessments of craniofacial variation. PCA, Mahalanobis distances, posterior and typicality probabilities were used to examine variation.ResultsTwo of the earliest skeletons from northern Chile show clear affinities to individuals from later sites in the same region. However, the hypothesis cannot be rejected as one Early individual from northern Chile and one individual from inland Patagonia did not always show clear affinities to coastal populations.DiscussionBiological affinities among northern populations and other regions of Chile align with genetic and archaeological data, supporting cultural and biological continuity along the Pacific Coast. In Patagonia, archaeological data are in accordance with skeletal differences between the Early inland steppe individual and coastal populations. This study incorporates 3D methods and skeletal datasets not widely used in assessments of biological affinity, thus contributing to a critical body of research examining the ancient population history of western South America.
Adsorption‐Induced Structural Phase Transformation in Nanopores
Authors: Kuchta Bogdan , Dundar Ege , Formalik Filip , Llewellyn Philip L. , Firlej Lucyna 
Published: November 2017

AbstractWe report a new type of structural transformation occurring in methane adsorbed in micropores. The observed methane structures are defined by probability distributions of molecular positions. The mechanism of the transformation has been modeled using Monte Carlo method. The transformation is totally determined by a reconstruction of the probability distribution functions of adsorbed molecules. The methane molecules have some freedom to move in the pore but most of the time they are confined to the positions around the high probability adsorption sites. The observed high‐probability structures evolve as a function of temperature and pressure. The transformation is strongly discontinuous at low temperature and becomes continuous at high temperature. The mechanism of the transformation is influenced by a competition between different components of the interaction and the thermal energy. The methane structure represents a new state of matter, intermediate between solid and liquid.
Efficient Uptake of 177Lu‐Porphyrin‐PEG Nanocomplexes by Tumor Mitochondria for Multimodal‐Imaging‐Guided Combination Therapy
Authors: Yu Bo , Wei Hao , He Qianjun , Ferreira Carolina A. , Kutyreff Christopher J. , Ni Dalong , Rosenkrans Zachary T. , Cheng Liang , Yu Faquan , Engle Jonathan W. , Lan Xiaoli , Cai Weibo 
Published: November 2017

AbstractThe benefits to intracellular drug delivery from nanomedicine have been limited by biological barriers and to some extent by targeting capability. We investigated a size‐controlled, dual tumor‐mitochondria‐targeted theranostic nanoplatform (Porphyrin‐PEG Nanocomplexes, PPNs). The maximum tumor accumulation (15.6 %ID g−1, 72 h p.i.) and ideal tumor‐to‐muscle ratio (16.6, 72 h p.i.) was achieved using an optimized PPN particle size of approximately 10 nm, as measured by using PET imaging tracing. The stable coordination of PPNs with 177Lu enables the integration of fluorescence imaging (FL) and photodynamic therapy (PDT) with positron emission tomography (PET) imaging and internal radiotherapy (RT). Furthermore, the efficient tumor and mitochondrial uptake of 177Lu‐PPNs greatly enhanced the efficacies of RT and/or PDT. This work developed a facile approach for the fabrication of tumor‐targeted multi‐modal nanotheranostic agents, which enables precision and radionuclide‐based combination tumor therapy.
Pd‐Catalyzed Cyanation of (Hetero)Aryl Halides by Using Biphosphine Ligands
Authors: Zhang Shaoke , Neumann Helfried , Beller Matthias 
Published: November 2017

AbstractTetraadamantylbiphosphine (TABP; L1), which showed superior activity in the palladium‐catalyzed cyanation of 4‐chloroanisole compared to standard phosphines, was synthesized as a new ligand. The generality of the new catalytic system was shown by the cyanation reaction of approximately 30 (hetero)aryl halides including hindered, electron‐rich, and electron‐poor aryl chlorides. These reactions constitute the first examples of using biphosphine ligands in Pd‐catalyzed coupling reactions.
Examining the importance of the level of computational theory used in solution‐phase structural determinations by NMR using residual dipolar couplings
Authors: Tabada Diana , Mahmoudi Faranak , Carroll William R. 
Published: November 2017

AbstractThe structures of many small molecules have been determined using residual dipolar couplings (RDCs) and the singular value decomposition method (SVD). Here, a key part of the SVD method is examined. The methods used to predict the 3‐dimensional structures of molecules used in the SVD methodology for comparison with RDCs were examined for their impact on the quality of agreement that those structures had with observed RDCs. It was observed that the method of generating a proposed structure had a great impact on the quality of agreement with observed spectral data and that more computationally intensive methods of proposing structures provided better agreement with the observed RDCs in the control molecule.
Analysis of Cellular DNA Content by Flow Cytometry
Authors: Darzynkiewicz Zbigniew , Huang Xuan , Zhao Hong 
Published: November 2017

AbstractCellular DNA content can be measured by flow cytometry with the aim of : (1) revealing cell distribution within the major phases of the cell cycle, (2) estimating frequency of apoptotic cells with fractional DNA content, and/or (3) disclosing DNA ploidy of the measured cell population. In this unit, simple and universally applicable methods for staining fixed cells are presented, as are methods that utilize detergents and/or proteolytic treatment to permeabilize cells and make DNA accessible to fluorochrome. Additionally, supravital cell staining with Hoechst 33342, which is primarily used for sorting live cells based on DNA‐content differences for their subsequent culturing, is described. Also presented are methods for staining cell nuclei isolated from paraffin‐embedded tissues. Available algorithms are listed for deconvolution of DNA‐content‐frequency histograms to estimate percentage of cells in major phases of the cell cycle and frequency of apoptotic cells with fractional DNA content. © 2017 by John Wiley & Sons, Inc.
High‐Dimensional Fluorescence Cytometry
Authors: Ashhurst Thomas Myles , Smith Adrian Lloyd , King Nicholas Jonathan Cole 
Published: November 2017

AbstractThe immune system consists of a complex network of cells, all expressing a wide range of surface and/or intracellular proteins. Using flow cytometry, these cells can be analyzed by labeling with fluorophore‐conjugated antibodies. The recent expansion of fluorescence flow cytometry technology, in conjunction with the ever‐expanding understanding of the complexity of the immune system, has led to the generation of larger high‐dimensional fluorescence flow cytometry panels. However, as panel size and complexity increases, so too does the difficulty involved in constructing high‐quality panels, in addition to the challenges of analyzing such high‐dimensional datasets. As such, this unit seeks to review the key principles involved in building high‐dimensional panels, as well as to guide users through the process of building and analyzing quality panels. Here, cytometer configuration, fluorophore brightness, spreading error, antigen density, choosing the best conjugates, titration, optimization, and data analysis will all be addressed. © 2017 by John Wiley & Sons, Inc.
Screening Fusion Tags for Improved Recombinant Protein Expression in E. coli with the Expresso® Solubility and Expression Screening System
Authors: Steinmetz Eric J. , Auldridge Michele E. 
Published: November 2017

AbstractThe simplicity, speed, and low cost of bacterial culture make E. coli the system of choice for most initial trials of recombinant protein expression. However, many heterologous proteins are either poorly expressed in bacteria, or are produced as incorrectly folded, insoluble aggregates that lack the activity of the native protein. In many cases, fusion to a partner protein can allow for improved expression and/or solubility of a difficult target protein. Although several different fusion partners have gained favor, none are universally effective, and identifying the one that best improves soluble expression of a given target protein is an empirical process. This unit presents a strategy for parallel screening of fusion partners for enhanced expression or solubility. The Expresso® Solubility and Expression Screening System includes a panel of seven distinct fusion partners and utilizes an extremely simple cloning strategy to enable rapid screening and identification of the most effective fusion partner. © 2017 by John Wiley & Sons, Inc.
Correlation between maternal anxiety, reactivity of fetal cerebral circulation to auditory stimulation, and birth outcome in normotensive and gestational hypertensive women
Authors: Vujović Marina , Sovilj Mirjana , Jeličić Ljiljana , Stokić Miodrag , Plećaš Darko , Plešinac Snežana , Nedeljković Nadežda 
Published: November 2017

AbstractThis study investigated the correlation between maternal anxiety and blood flow changes through the fetal middle cerebral artery (MCA) after defined acoustic stimulation in 43 normotensive (C) and 40 gestational hypertensive (GH) subjects. Neonatal outcomes (gestational age at birth, Apgar score, birth weight) in the C and GH groups were analyzed. State (STAI‐S) and trait (STAI‐T) anxiety was assessed using Spielberger's questionnaire. The MCA blood flow was assessed once between 28 and 41 weeks of gestation using color Doppler ultrasound before and after application of defined acoustic stimulus. Relative size of the Pulsatility index (Pi) change (RePi) was calculated. The general hypotheses were: (1) women in GH group would have higher anxiety; (2) higher anxiety correlates with higher RePi change and poorer neonatal outcome; (3) fetuses from the GH group would have poorer neonatal outcome. Subjects from the GH group had higher STAI‐T and RePi compared to the C group. A positive correlation between RePi and STAI‐S, STAI‐T, and systolic/diastolic blood pressure was found in both groups. There were more preterm deliveries in the GH group compared to the C group. A significant effect of STAI‐T on body weight was observed in the C and GH group. There was a predictive effect of STAI‐T and RePi on the C group, and STAI‐S, STAI‐T, diastolic blood pressure, and RePi on the GH group in terms of neonatal body weight. This study demonstrates an association between antenatal anxiety in GH women and increased fetal cerebral circulation in response to defined auditory stimulation.
Evaluating porewater polycyclic aromatic hydrocarbon–related toxicity at a contaminated sediment site using a spiked field-sediment approach
Authors: Hartzell Sharon E. , Unger Michael A. , Vadas George G. , Yonkos Lance T. 
Published: November 2017

Abstract

Although the complexity of contaminant mixtures in sediments can confound the identification of causative agents of adverse biological response, understanding the contaminant(s) of primary concern at impacted sites is critical to sound environmental management and remediation. In the present study, a stock mixture of 18 polycyclic aromatic hydrocarbon (PAH) compounds was prepared to reflect the variety and relative proportions of PAHs measured in surface sediment samples collected from discrete areas of a historically contaminated industrial estuary. This site-specific PAH stock mixture was spiked into nontoxic in-system and out-of-system field-collected reference sediments in dilution series spanning the range of previously measured total PAH concentrations from the region. Spiked sediments were evaluated in 10-d Leptocheirus plumulosus tests to determine whether toxicity in laboratory-created PAH concentrations was similar to the toxicity found in field-collected samples with equivalent PAH concentrations. The results show that toxicity of contaminated sediments was not explained by PAH exposure, while indicating that toxicity in spiked in-system (fine grain, high total organic carbon [TOC]) and out-of-system (course grain, low TOC) sediments was better explained by porewater PAH concentrations, measured using an antibody-based biosensor that quantified 3- to 5-ring PAHs, than total sediment PAH concentrations. The study demonstrates the application of site-specific spiking experiments to evaluate sediment toxicity at sites with complex mixtures of multiple contaminant classes and the utility of the PAH biosensor for rapid sediment-independent porewater PAH analysis. Environ Toxicol Chem 2018;37:893–902. © 2017 SETAC
Linking in vitro estrogenicity to adverse effects in the inland silverside (Menidia beryllina)
Authors: Mehinto Alvine C. , Kroll Kevin J. , Jayasinghe B. Sumith , Lavelle Candice M. , VanDervort Darcy , Adeyemo Olanike K. , Bay Steven M. , Maruya Keith A. , Denslow Nancy D. 
Published: November 2017

Abstract

High-throughput cell assays that detect and integrate the response of multiple chemicals acting via a common mode of action have the potential to enhance current environmental monitoring practices. Establishing the linkage between in vitro and in vivo responses is key to demonstrating that in vitro cell assays can be predictive of ecologically relevant outcomes. The present study investigated the potency of 17β-estradiol (E2), estrone (E1), nonylphenol (NP), and treated wastewater effluent using the readily available GeneBLAzer® estrogen receptor transactivation assay and 2 life stages of the inland silverside (Menidia beryllina). In vitro estrogenic potencies were ranked as follows: E2 &gt; E1 &gt;&gt; NP. All 3 model estrogens induced vitellogenin and choriogenin expression in a dose-dependent manner in larvae and juveniles. However, apical effects were only found for E2 and E1 exposures of juveniles, which resulted in female-skewed sex ratios. Wastewater effluent samples exhibiting low in vitro estrogenicity (below the 10% effective concentration [EC10]), did not cause significant changes in M. beryllina. Significant induction of estrogen-responsive genes was observed at concentrations 6 to 26 times higher than in vitro responses. Gonadal feminization occurred at concentrations at least 19 to 26 times higher than the in vitro responses. These findings indicated that in vitro cell assays were more sensitive than the fish assays, making it possible to develop in vitro effect thresholds protective of aquatic organisms. Environ Toxicol Chem 2018;37:884–892. © 2017 SETAC
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