bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nested mesoscale‐to‐LES modeling of the atmospheric boundary layer in the presence of under‐resolved convective structures
Authors: Mazzaro L. J. , Muñoz‐Esparza D. , Lundquist J. K. , Linn R. R. 
Published: July 2017

AbstractMultiscale atmospheric simulations can be computationally prohibitive, as they require large domains and fine spatiotemporal resolutions. Grid‐nesting can alleviate this by bridging mesoscales and microscales, but one turbulence scheme must run at resolutions within a range of scales known as the terra incognita (TI). TI grid‐cell sizes can violate both mesoscale and microscale subgrid‐scale parametrization assumptions, resulting in unrealistic flow structures. Herein we assess the impact of unrealistic lateral boundary conditions from parent mesoscale simulations at TI resolutions on nested large eddy simulations (LES), to determine whether parent domains bias the nested LES. We present a series of idealized nested mesoscale‐to‐LES runs of a dry convective boundary layer (CBL) with different parent resolutions in the TI. We compare the nested LES with a stand‐alone LES with periodic boundary conditions. The nested LES domains develop ∼20% smaller convective structures, while potential temperature profiles are nearly identical for both the mesoscales and LES simulations. The horizontal wind speed and surface wind shear in the nested simulations closely resemble the reference LES. Heat fluxes are overestimated by up to ∼0.01 K m s−1 in the top half of the PBL for all nested simulations. Overestimates of turbulent kinetic energy (TKE) and Reynolds stress in the nested domains are proportional to the parent domain's grid‐cell size, and are almost eliminated for the simulation with the finest parent grid‐cell size. Based on these results, we recommend that LES of the CBL be forced by mesoscale simulations with the finest practical resolution.
Mixed integer programming with dose‐volume constraints in intensity‐modulated proton therapy
Authors: Zhang Pengfei , Fan Neng , Shan Jie , Schild Steven E. , Bues Martin , Liu Wei 
Published: July 2017

AbstractBackgroundIn treatment planning for intensity‐modulated proton therapy (IMPT), we aim to deliver the prescribed dose to the target yet minimize the dose to adjacent healthy tissue. Mixed‐integer programming (MIP) has been applied in radiation therapy to generate treatment plans. However, MIP has not been used effectively for IMPT treatment planning with dose‐volume constraints. In this study, we incorporated dose‐volume constraints in an MIP model to generate treatment plans for IMPT.MethodsWe created a new MIP model for IMPT with dose volume constraints. Two groups of IMPT treatment plans were generated for each of three patients by using MIP models for a total of six plans: one plan was derived with the Limited‐memory Broyden–Fletcher–Goldfarb–Shanno (L‐BFGS) method while the other plan was derived with our MIP model with dose‐volume constraints. We then compared these two plans by dose‐volume histogram (DVH) indices to evaluate the performance of the new MIP model with dose‐volume constraints. In addition, we developed a model to more efficiently find the best balance between tumor coverage and normal tissue protection.ResultsThe MIP model with dose‐volume constraints generates IMPT treatment plans with comparable target dose coverage, target dose homogeneity, and the maximum dose to organs at risk (OARs) compared to treatment plans from the conventional quadratic programming method without any tedious trial‐and‐error process. Some notable reduction in the mean doses of OARs is observed.ConclusionsThe treatment plans from our MIP model with dose‐volume constraints can meet all dose‐volume constraints for OARs and targets without any tedious trial‐and‐error process. This model has the potential to automatically generate IMPT plans with consistent plan quality among different treatment planners and across institutions and better protection for important parallel OARs in an effective way.
Mechanism of Lithium Metal Penetration through Inorganic Solid Electrolytes
Authors: Porz Lukas , Swamy Tushar , Sheldon Brian W. , Rettenwander Daniel , Frömling Till , Thaman Henry L. , Berendts Stefan , Uecker Reinhard , Carter W. Craig , Chiang Yet‐Ming 
Published: July 2017

AbstractLi deposition is observed and measured on a solid electrolyte in the vicinity of a metallic current collector. Four types of ion‐conducting, inorganic solid electrolytes are tested: Amorphous 70/30 mol% Li2S‐P2S5, polycrystalline β‐Li3PS4, and polycrystalline and single‐crystalline Li6La3ZrTaO12 garnet. The nature of lithium plating depends on the proximity of the current collector to defects such as surface cracks and on the current density. Lithium plating penetrates/infiltrates at defects, but only above a critical current density. Eventually, infiltration results in a short circuit between the current collector and the Li‐source (anode). These results do not depend on the electrolytes shear modulus and are thus not consistent with the Monroe–Newman model for “dendrites.” The observations suggest that Li‐plating in pre‐existing flaws produces crack‐tip stresses which drive crack propagation, and an electrochemomechanical model of plating‐induced Li infiltration is proposed. Lithium short‐circuits through solid electrolytes occurs through a fundamentally different process than through liquid electrolytes. The onset of Li infiltration depends on solid‐state electrolyte surface morphology, in particular the defect size and density.
Linear and nonlinear relationships between body mass index and physical fitness in Brazilian children and adolescents
Authors: Lopes Vítor P. , Cossio‐Bolaños Marco , Gómez‐Campos3 Rossana , de Arruda Miguel , Hespanhol Jefferson Eduardo , Rodrigues Luis P. 
Published: July 2017

AbstractObjectivesThe purpose of this study was to evaluate the linear and curvilinear relationship between body mass index (BMI) and physical fitness in children and adolescents.MethodsParticipants were 4567 (2505 girls) children aged 6–16 years. Weight and height were measured and BMI was calculated and adjusted for age and sex using WHO z‐scores. Physical fitness was evaluated with the following tests: Yo‐Yo test, standing long jump, seated 2‐kg medicine ball throw, and 20‐m dash. Participants were grouped into two groups according to their maturity status, estimated as years from peak height velocity. Associations were determined with linear and nonlinear quadratic regression models.ResultsThe nonlinear quadratic regression coefficient was significant for the 20‐m dash among girls of both maturity status levels, and in maturity status level 1 boys; for the standing long jump among boys of both maturity status levels, and in maturity status level 1 girls. The Yo‐Yo test was only significant for maturity status level 1 boys. For the medicine ball throw, the linear regression coefficient was significant for both maturity status levels in both sexes. Almost all physical fitness items were observed to have meaningfully large nonlinear relationships with BMIz, but they were not all significant due to the small sample size, especially in maturity status level 2.ConclusionThe association between BMI and physical fitness is nonlinear in the majority of its components, and those with lower and higher BMI had poorer fitness.
Microwave‐Promoted Metal‐Free α‐Alkylation of Ketones with Cycloalkanes through Cross‐Coupling of C(sp3)−H Bonds
Authors: Wang Qian‐Qian , Wang Zhang‐Xin , Zhang Xin‐Ying , Fan Xue‐Sen 
Published: July 2017

AbstractThe microwave‐promoted α‐alkylation of ketones with cycloalkanes as alkylating agents under metal‐free conditions is presented. The reaction mechanism involves the DTBP‐initiated (DTBP=di‐tert‐butyl peroxide) microwave‐assisted formation of the required cycloalkyl and α‐ketone carbon radicals followed by a selective cross‐coupling step. This is the first example in which simple ketones and 1,3‐diketones have been efficiently alkylated with cycloalkanes under metal‐free conditions through the cross‐dehydrogenative coupling of C(sp3)−H bonds. Compared with previous methods, this alkylation protocol has advantages such as the use inexpensive and abundant substrates under metal‐free conditions and its good atom‐economy and sustainability. Moreover, the substituted ketones can be used as intermediates in the preparation of the synthetically and biologically valuable trisubstituted alkenes.
Benzannulation of Pyrroles to 4,5‐Disubstituted Indoles through Brønsted‐Acid‐Promoted Rearrangement of tert‐Butyl Peroxides
Authors: Lu Shenglin , Xu Ran , Li Zhiping 
Published: July 2017

AbstractBenzannulation of pyrrole to indole was achieved by using γ‐carbonyl tert‐butyl peroxides as C4 building blocks. The reaction is initiated by Brønsted‐acid‐promoted rearrangement of the tert‐butyl peroxide, followed by annulation with pyrrole leading to an indole skeleton bearing 4,5‐disubstitutents. The salient features of this benzannulation approach include using readily available starting materials and mild reaction conditions.
2,000 Year old β‐thalassemia case in Sardinia suggests malaria was endemic by the Roman period
Authors: Viganó Claudia , Haas Cordula , Rühli Frank J. , Bouwman Abigail 
Published: July 2017

AbstractObjectivesThe island of Sardinia has one of the highest incidence rates of β‐thalassemia in Europe due to its long history of endemic malaria, which, according to historical records, was introduced around 2,600 years ago by the Punics and only became endemic around the Middle Ages. In particular, the cod39 mutation is responsible for more than 95% of all β‐thalassemia cases observed on the island. Debates surround the origin of the mutation. Some argue that its presence in the Western Mediterranean reflects the migration of people away from Sardinia, others that it reflects the colonization of the island by the Punics who might have carried the disease allele. The aim of this study was to investigate β‐globin mutations, including cod39, using ancient DNA (aDNA) analysis, to better understand the history and origin of β‐thalassemia and malaria in Sardinia.Materials and MethodsPCR analysis followed by sequencing were used to investigate the presence of β‐thalassemia mutations in 19 individuals from three different Roman and Punic necropolises in Sardinia.ResultsThe cod39 mutation was identified in one male individual buried in a necropolis from the Punic/Roman period. Further analyses have shown that his mitochondrial DNA (mtDNA) and Y‐chromosome haplogroups were U5a and I2a1a1, respectively, indicating the individual was probably of Sardinian origin.ConclusionsThis is the earliest documented case of β‐thalassemia in Sardinia to date. The presence of such a pathogenic mutation and its persistence until present day indicates that malaria was likely endemic on the island by the Roman period, earlier than the historical sources suggest.
Time‐dependent risk of seizures in critically ill patients on continuous electroencephalogram
Authors: Struck Aaron F. , Osman Gamaleldin , Rampal Nishi , Biswal Siddhartha , Legros Benjamin , Hirsch Lawrence J. , Westover M. Brandon , Gaspard Nicolas 
Published: July 2017

ObjectiveFind the optimal continuous electroencephalographic (CEEG) monitoring duration for seizure detection in critically ill patients.MethodsWe analyzed prospective data from 665 consecutive CEEGs, including clinical factors and time‐to‐event emergence of electroencephalographic (EEG) findings over 72 hours. Clinical factors were selected using logistic regression. EEG risk factors were selected a priori. Clinical factors were used for baseline (pre‐EEG) risk. EEG findings were used for the creation of a multistate survival model with 3 states (entry, EEG risk, and seizure). EEG risk state is defined by emergence of epileptiform patterns.ResultsThe clinical variables of greatest predictive value were coma (31% had seizures; odds ratio [OR] = 1.8, p < 0.01) and history of seizures, either remotely or related to acute illness (34% had seizures; OR = 3.0, p < 0.001). If there were no epileptiform findings on EEG, the risk of seizures within 72 hours was between 9% (no clinical risk factors) and 36% (coma and history of seizures). If epileptiform findings developed, the seizure incidence was between 18% (no clinical risk factors) and 64% (coma and history of seizures). In the absence of epileptiform EEG abnormalities, the duration of monitoring needed for seizure risk of <5% was between 0.4 hours (for patients who are not comatose and had no prior seizure) and 16.4 hours (comatose and prior seizure).InterpretationThe initial risk of seizures on CEEG is dependent on history of prior seizures and presence of coma. The risk of developing seizures on CEEG decays to <5% by 24 hours if no epileptiform EEG abnormalities emerge, independent of initial clinical risk factors. Ann Neurol 2017;82:177–185.
Suppression of Oligomer Formation and Formation of Non‐Toxic Fibrils upon Addition of Mirror‐Image Aβ42 to the Natural l‐Enantiomer
Authors: Dutta Subrata , Foley Alejandro R. , Warner Christopher J. A. , Zhang Xiaolin , Rolandi Marco , Abrams Benjamin , Raskatov Jevgenij A. 
Published: July 2017

AbstractRacemates often have lower solubility than enantiopure compounds, and the mixing of enantiomers can enhance the aggregation propensity of peptides. Amyloid beta (Aβ) 42 is an aggregation‐prone peptide that is believed to play a key role in Alzheimer's disease. Soluble Aβ42 aggregation intermediates (oligomers) have emerged as being particularly neurotoxic. We hypothesized that the addition of mirror‐image d‐Aβ42 should reduce the concentration of toxic oligomers formed from natural l‐Aβ42. We synthesized l‐ and D‐Aβ42 and found their equimolar mixing to lead to accelerated fibril formation. Confocal microscopy with fluorescently labeled analogues of the enantiomers showed their colocalization in racemic fibrils. Owing to the enhanced fibril formation propensity, racemic Aβ42 was less prone to form soluble oligomers. This resulted in the protection of cells from the toxicity of l‐Aβ42 at concentrations up to 50 μm. The mixing of Aβ42 enantiomers thus accelerates the formation of non‐toxic fibrils.
Avoiding Self‐Poisoning: A Key Feature for the High Activity of Au/Mg(OH)2 Catalysts in Continuous Low‐Temperature CO Oxidation
Authors: Wang Yuchen , Widmann Daniel , Lehnert Felix , Gu Dong , Schüth Ferdi , Behm R. Jürgen 
Published: July 2017

AbstractAu/Mg(OH)2 catalysts have been reported to be far more active in the catalytic low‐temperature CO oxidation (below 0 °C) than the thoroughly investigated Au/TiO2 catalysts. Based on kinetic and in situ infrared spectroscopy (DRIFTS) measurements, we demonstrate that the comparatively weak interaction of Au/Mg(OH)2 with CO2 formed during the low‐temperature reaction is the main reason for the superior catalyst performance. This feature enables rapid product desorption and hence continuous CO oxidation at temperatures well below 0 °C. At these temperatures, Au/TiO2 also catalyzes CO2 formation, but does not allow for CO2 desorption, which results in self‐poisoning. At higher temperatures (above 0 °C), however, CO2 formation is rate‐limiting, which results in a much higher activity for Au/TiO2 under these reaction conditions.
The Role of the Primitive Lateral Basilovertebral Anastomosis of Padget in Variations of the Vertebrobasilar Arterial System
Authors: Gregg Lydia , Gailloud Philippe 
Published: July 2017

ABSTRACTPurpose: The primitive lateral basilovertebral anastomosis (PLBA) is an embryonic longitudinal anastomotic channel that transiently interconnects the developing branches of the vertebrobasilar system. This study reviews the anatomy of the PLBA and describes several variants associated with its partial persistence. Methods: Four types of vertebrobasilar anomalies linked to the PLBA are illustrated by 13 angiographic observations. Results: The angiographic appearances of (i) typical and atypical persistent trigeminal artery variants, (ii) common trunks of origin for one, two, or three cerebellar arteries, (iii) aberrant origins of the cerebellar arteries, and (iv) vertebrobasilar duplications are described. The PLBA is the cranial continuation of the ascending ramus of the dorsal radicular branch of the proatlantal artery (i.e., the radicular artery of C1) and represents the cranial equivalent of the posterior‐lateral spinal artery. Conclusion: Several previously ill‐defined or misunderstood variations of the vertebrobasilar system can be explained by partial persistence of the PLBA. Anat Rec, 2017. © 2017 Wiley Periodicals, Inc. Anat Rec, 300:2025–2038, 2017. © 2017 Wiley Periodicals, Inc.
Sex Determination According to the Lengths of Hand Bones in Rhesus Macaques (Macaca Mulatta)
Authors: Tian Huaxiang , Zhao Xiaojin , Hu Fengxia , Hu Haiyang 
Published: July 2017

ABSTRACTMeasurement of hand bone length has been used for sex determination in humans and nonhuman primates (McFadden and Bracht: Early Hum Dev 85 (2009) 117–124; El‐Morsi and Al‐Hawary: J Forensic Leg Med 20 (2013) 6–13). The aim of this study was to determine the sex of rhesus macaques (Macaca mulatta) on the basis of the lengths of corresponding rows of metacarpals and phalanges in a macaque population by means of developing discriminant functions. Measurements on direct dry bones only included lengths for 19 bones of the left hand in 39 macaques (consisting of 13 adult males and 26 adult females). The results revealed that the mean values of males were significantly greater than those of females for all of the metacarpals and phalanges. The results were obtained in 84.4% of accuracy from distal phalanges, 93.8% from middle phalanges, and 96.9% from both metacarpals and proximal phalanges, respectively. There was a remarkable difference in the magnitude of sex dimorphism in lengths of each section of the hand bones between the population of macaques and humans. This difference may be attributable to the interaction between genetic factors and various environmental factors. As sex differences of hand bones are population‐specific (Lazenby: Am J phys Anthropol 118 (2002) 378–384; Lu, Huo, Shi, Peng, Dang, Jiao, Zhu, Zhong, and Chen: Acta Aantomica Sinica 39 (2008) 267–271; Eshak, Ahmed, and Gawad: J Forensic Leg Med 18 (2011) 246–252), the discriminant equations for all of the metacarpals and phalanges are applicable to the population of Macaca mulatta from the Taihang Mountain. Anat Rec, 2017. © 2017 Wiley Periodicals, Inc. Anat Rec, 300:1741–1746, 2017. © 2017 Wiley Periodicals, Inc.
Arterial Patterns of the Face in Perissodactyla
Authors: Kowalczyk Karolina , Frąckowiak Hieronim 
Published: July 2017

ABSTRACTConsiderable consistency in the arterial pattern of the head has been observed in species of Artiodactyla, but few studies have examined the order Perissodactyla. Here, we describe arteries supplying the intermandibular, mental, masseteric, buccal, labial, and nasal regions in eight perissodactylans, including representing of all families comprising this order. Observations were made on a total of 45 preparations of head arteries, obtained by injection of arteries with acetone‐dissolved stained vinyl superchloride or stained latex LBS3060. In the Equidae species alone it was found that the facial artery descends from the linguofacial trunk. In tapirs and rhinos the facial artery branches off directly from the main arteries of the head. In tapirs alone it was found that the inferior alveolar artery gives off the buccal and sublingual arteries, and then extends into the mental artery. In the rhino a specific feature of the arterial pattern of the head was the exit of the occipital artery from the superficial temporal artery. In all equines studied, the transverse facial artery gave off a larger blood vessel to the masseter muscle and ran along the facial crest, while in tapirs and rhinos the transverse facial artery fanned out branches in the masseteric fossa. The variations observed can be considered in future studies on the origin of Perissodactyla. In this context, we note that the most similar patterns of exit and course of the facial, mental, transverse facial and infraorbital arteries exist in tapirs and rhinos (Ceratomorpha suborder), at least among the perissodactylans studied here. Anat Rec, 300:1529–1534, 2017. © 2017 Wiley Periodicals, Inc.
Design and synthesis of the BODIPY–BSA complex for biological applications
Authors: Vedamalai Mani , Gupta Iti 
Published: July 2017

AbstractA quinoxaline‐functionalized styryl–BODIPY derivative (S1) was synthesized by microwave‐assisted Knoevenagel condensation. It exhibited fluorescence enhancement upon micro‐encapsulation into the hydrophobic cavity of bovine serum albumin (BSA). The S1–BSA complex was characterized systematically using ultraviolet (UV)–visible absorption, fluorescence emission, kinetics, circular dichroism and time‐resolved lifetime measurements. The binding nature of BSA towards S1 was strong, and was found to be stable over a period of days. The studies showed that the S1–BSA complex could be used as a new biomaterial for fluorescence‐based high‐throughput assay for kinase enzymes.
Visible‐Light Photocatalytic Activity of Ionic Liquid TiO2 Spheres: Effect of the Ionic Liquid's Anion Structure
Authors: Łuczak Justyna , Paszkiewicz‐Gawron Marta , Długokęcka Marta , Lisowski Wojciech , Grabowska Ewelina , Makurat Samanta , Rak Janusz , Zaleska‐Medynska Adriana 
Published: July 2017

AbstractThe effect of the ionic liquid's (IL) anion type ([BMIM][X], where BMIM=1‐butyl‐3‐methylimidazolium and X=[Br], [PF6], or octylsulfonate [OctSO4]) and IL content on the morphology, surface properties, and photoactivity of TiO2 obtained by the solvothermal method has been systematically investigated. Our results revealed that the presence of [Br] and [OctSO4] anions favor the formation of anatase phase, whereas the presence of [PF6] causes formation of anatase and Ti(OH)PO4 phase mixtures. The highest photocatalytic activity under visible radiation (approximately four times higher than pristine TiO2) was observed for the TiO2 sample grown in the presence of 1‐butyl‐3‐methylimidazolium bromide for ionic liquid to TiO2 precursor molar ratio 1:2. Visible‐light‐induced phenol degradation was found to be realized mainly by oxygen radical anions, whereas the contributions of the other processes involving reactions with trapped electrons, holes, and hydroxyl radical, are limited in the overall reaction mechanism. Quantum chemical calculations on a model of anatase vacancy suggest that the charge transfer between the bromide anion and molecular oxygen interacting with the vacancy is a source of photoactivity induced by visible photons.
Biosorption and Binding Mechanisms of Ni2+ and Cd2+ with Aerobic Granules Cultivated in Different Synthetic Media
Authors: Sajjad Muhammad , Aziz Abdul , Kim Kwang Soo 
Published: July 2017

AbstractAerobic granules synthesized by feeding real wastewater (R‐granules) in a sequencing batch reactor were applied to remove Ni2+ and Cd2+ from aqueous solutions and compared with granules cultivated with laboratory‐synthesized wastewater (S‐granules). Metal biosorption was related to solution pH, initial metal concentration, and reaction time. The chemically modified R‐granules showed increased removal efficiency for the examined metals, and the results were almost identical to those of S‐granules. Ion‐exchange and complexation with extracellular polymeric substances were the predominant mechanisms involved in Ni2+ and Cd2+ loading onto the granules, whereby different groups were associated with the binding. The oxygen atom in peptide bonds interacted more with heavy metals than the nitrogen atom.