bluuebunny/crossref_metadata_2025 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

Multiscale 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

Background

In 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.

Methods

We 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.

Results

The 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.

Conclusions

The 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.
Combinatorial Commons: Social Remixing in a Sharing Economy
Authors: Sanchez Jose
Published: July 2017

We have entered an era of prosumer culture, where consumers have become producers. This democratisation impacts on all scales of production, including that of architecture. The Polyomino research agenda at the University of Southern California, Los Angeles has been developed by architect, programmer and gaming designer Jose Sanchez to explore ethical forms of participation through growth of the commons, and to reconsider the role of parts in production. Here he explains the issues at stake, as illustrated by some of Polyomino's outcomes.
How Specific Interactions Drive the Complex Organisation of Building Blocks
Authors: Zeravcic Zorana
Published: July 2017

Can artificial materials be developed that rival nature's ability to self‐assemble and self‐replicate? Zorana Zeravcic, lecturer and researcher at the École Supérieure de Physique et de Chimie Industrielles Paris Sciences et Lettres Research University in Paris, outlines investigations on the subject being carried out by her department and by counterparts at Harvard University in the US. Drawing on methodologies and knowledge from across the sciences, their simulations have yielded previously unenvisioned complex functionalities that could transform the way we build.
Aleatory Construction Based on Jamming: Stability Through Self‐Confinement
Authors: Murphy Kieran , Roth Leah , Peterman Dan , Jaeger Heinrich
Published: July 2017

The physical process of jamming could take architectural sustainability/recyclability to a whole new level. It involves achieving structural rigidity through the crowding of particles within a confined space, rather than by permanent bonding. Project Z‐Form, a collaboration between a team of physicists from the JaegerLab at the University of Chicago – including PhD students Kieran Murphy and Leah Roth and professor Heinrich Jaeger – and artist Dan Peterman, sets out to develop a pourable material that not only self‐supports but can also bear loads. Here they explain the project and the concepts behind it.
Granular Jamming of Loadbearing and Reversible Structures: Rock Print and Rock Wall
Authors: Aejmelaeus‐Lindström Petrus , Mirjan Ammar , Gramazio Fabio , Kohler Matthias , Kernizan Schendy , Sparrman Björn , Laucks Jared , Tibbits Skylar
Published: July 2017

In its more common manifestations, granular jamming relies on vacuums and membranes to bring about liquid‐to‐solid phase change in materials. Petrus Aejmelaeus‐Lindström, Ammar Mirjan, Fabio Gramazio and Matthias Kohler of ETH Zurich, and Schendy Kernizan, Björn Sparrman, Jared Laucks and Skylar Tibbits of the Massachusetts Institute of Technology (MIT), describe two projects as members of the two research groups at ETH and MIT that have been collaborating to examine the possibilities of jamming in architecture and construction.
Granular Construction: Designed Particles for Macro‐Scale Architectural Structures
Authors: Dierichs Karola , Menges Achim
Published: July 2017

Designing the individual particles of granular materials defines novel material characteristics of the overall granular system. This opens up a range of possibilities for architectural applications that are fully reconfigurable as the particles are not bound to each other. Karola Dierichs and Achim Menges of the Institute for Computational Design (ICD) at the University of Stuttgart provide an overview of recent research conducted at the Institute in this field. Autonomous construction is integrated into these systems through using either extrinsic autonomous machines or intrinsic autonomous particles.
Enhanced Bipolar Strain Response in Lithium/Niobium Co‐Doped Sodium–Barium Bismuth Titanate Lead‐Free Ceramics
Authors: Gao Shang , Yao Zhaojun , Ning Li , Dong Guangzhi , Fan Huiqing , Li Qiang
Published: July 2017

The (Na0.484Bi0.456Ba0.06)Ti0.97Nb0.03O3 − xLi+ (x = 0, 0.005, 0.01, 0.015) lead‐free piezoelectric ceramics are prepared by conventional solid‐state reaction technique. X‐ray diffraction and surface scanning electron microscope images confirm the pure perovskite structure of sintered ceramics. Electric field and composition‐dependent strain behavior are investigated. The highest bipolar strain of 0.47% is achieved at x = 0.01 with the applied electric‐field of 70 kV cm−1, and the corresponding normalized strain () reaches up to 671 pm V−1. Moreover, the giant strain exhibits excellent thermal stability and fatigue‐resistance (within 105 switching cycles) properties. The origin of the strain can be attributed to transition between ferroelectric and relaxor ferroelectric induced by the applied electric field, and introduction of Li cations further enhances the strain behavior. AC impedance analysis indicate the appearance of grain boundary effect with increasing Li+ addition, which is also reflected on the dielectric and dielectric loss curves. It is believed that the environmental friendly binary system can be a promising candidate for piezoactuators.
Wide Field Magnetic Luminescence Imaging
Authors: Hodges Matthew P. P. , Grell Martin , Morley Nicola A. , Allwood Dan A.
Published: July 2017

This study demonstrates how magnetic‐field‐dependent luminescence from organic films can be used to image the magnetic configuration of an underlying sample. The organic semiconductors tetracene and rubrene exhibit singlet exciton fission, which is a process sensitive to magnetic fields. Here, thin films of these materials were characterized using photoluminescence spectrometry, atomic force microscopy, and photoluminescence magnetometry. The luminescence from these substrate‐bound thin films is imaged to reveal the magnetic configuration of underlying Nd‐Fe‐B magnets. The tendency of rubrene to form amorphous films and produce large changes in photoluminescence under an applied magnetic field makes it more appropriate for magnetic field imaging than tetracene. This demonstration can be extended in the future to allow simple microscopic imaging of magnetic structure.
A Matter of Size and Stress: Understanding the First‐Order Transition in Materials for Solid‐State Refrigeration
Authors: Gottschall Tino , Benke Dimitri , Fries Maximilian , Taubel Andreas , Radulov Iliya A. , Skokov Konstantin P. , Gutfleisch Oliver
Published: July 2017

Solid‐state magnetic refrigeration is a high‐potential, resource‐efficient cooling technology. However, many challenges involving materials science and engineering need to be overcome to achieve an industry‐ready technology. Caloric materials with a first‐order transition—associated with a large volume expansion or contraction—appear to be the most promising because of their large adiabatic temperature and isothermal entropy changes. In this study, using experiment and simulation, it is demonstrated with the most promising magnetocaloric candidate materials, La–Fe–Si, Mn–Fe–P–Si, and Ni–Mn–In–Co, that the characteristics of the first‐order transition are fundamentally determined by the evolution of mechanical stresses. This phenomenon is referred to as the stress‐coupling mechanism. Furthermore, its applicability goes beyond magnetocaloric materials, since it describes the first‐order transitions in multicaloric materials as well.
Emerging Semitransparent Solar Cells: Materials and Device Design
Authors: Tai Qidong , Yan Feng
Published: July 2017

Semitransparent solar cells can provide not only efficient power‐generation but also appealing images and show promising applications in building integrated photovoltaics, wearable electronics, photovoltaic vehicles and so forth in the future. Such devices have been successfully realized by incorporating transparent electrodes in new generation low‐cost solar cells, including organic solar cells (OSCs), dye‐sensitized solar cells (DSCs) and organometal halide perovskite solar cells (PSCs). In this review, the advances in the preparation of semitransparent OSCs, DSCs, and PSCs are summarized, focusing on the top transparent electrode materials and device designs, which are all crucial to the performance of these devices. Techniques for optimizing the efficiency, color and transparency of the devices are addressed in detail. Finally, a summary of the research field and an outlook into the future development in this area are provided.
A Comparative Study of Clinical Intervention and Interventional Photothermal Therapy for Pancreatic Cancer
Authors: Hu Yanyan , Chi Chongwei , Wang Shunhao , Wang Lingxiong , Liang Ping , Liu Fangyi , Shang Wenting , Wang Weiwei , Zhang Fengrong , Li Shanshan , Shen Heyun , Yu Xiaoling , Liu Huiyu , Tian Jie
Published: July 2017

Although nanoparticle‐based photothermal therapy (PTT) has been intensively investigated recently, its comparative efficiency with any clinical cancer treatments has been rarely explored. Herein for the first time we report a systematic comparative study of clinical iodine‐125 (125I) interstitial brachytherapy (IBT‐125‐I) and interventional PTT (IPTT) in an orthotopic xenograft model of human pancreatic cancer. IPTT, based on the nanoparticles composing of anti‐urokinase plasminogen activator receptor (uPAR) antibody, polyethylene glycol (PEG), and indocyanine green (ICG) modified gold nanoshells (hereinafter uIGNs), is directly applied to local pancreatic tumor deep in the abdomen. In comparison to IBT‐125‐I, a 25% higher median survival rate of IPTT with complete ablation by one‐time intervention has been achieved. The IPTT could also inhibit pancreatic tumor metastasis which can be harnessed for effective cancer immunotherapy. All results show that this IPTT is a safe and radical treatment for eradicating tumor cells, and may benefit future clinical pancreatic cancer patients.
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

Li 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.
A mechanistic modeling framework for gas‐phase adsorption kinetics and fixed‐bed transport
Authors: Ladshaw Austin P. , Yiacoumi Sotira , Lin Ronghong , Nan Yue , Tavlarides Lawrence L. , Tsouris Costas
Published: July 2017

Adsorption is a complex physicochemical process involving interparticle transport, interphase mass‐transfer, intraparticle diffusion, and surface reactions. Although the exact description of the adsorption process will inevitably vary from system to system, it will always be governed by those primary mechanisms. Therefore, by devising a model framework that can inherently include those mechanisms, it would be possible to create a modeling platform on which many different adsorption problems could be solved numerically. To accomplish this task, a generalized 1‐D conservation law model was created to include the necessary mechanisms of adsorption on several different geometrical domains. Specific model applications for adsorption were developed under that framework and validated using experimental data available in literature or obtained in this work. This modeling platform makes it easier to model various adsorption problems and develop new adsorption models because of the common treatment of the mathematics governing the physical processes. © 2017 American Institute of Chemical Engineers AIChE J, 2017
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

Objectives

The purpose of this study was to evaluate the linear and curvilinear relationship between body mass index (BMI) and physical fitness in children and adolescents.

Methods

Participants 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.

Results

The 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.

Conclusion

The 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

The 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

Benzannulation 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

Objectives

The 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 Methods

PCR 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.

Results

The 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.

Conclusions

This 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

Objective

Find the optimal continuous electroencephalographic (CEEG) monitoring duration for seizure detection in critically ill patients.

Methods

We 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.

Results

The 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).

Interpretation

The 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

Racemates 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

Au/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

Purpose: 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

Measurement 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

Considerable 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.
MOOC visual analytics: Empowering students, teachers, researchers, and platform developers of massively open online courses
Authors: Emmons Scott R. , Light Robert P. , Börner Katy
Published: July 2017

Along with significant opportunities, Massively Open Online Courses (MOOCs) provide major challenges to students (keeping track of course materials and effectively interacting with teachers and fellow students), teachers (managing thousands of students and supporting their learning progress), researchers (understanding how students interact with materials and each other), and MOOC platform developers (supporting effective course design and delivery in a scalable way). This article demonstrates the use of data analysis and visualization as a means to empower students, teachers, researchers, and platform developers by making large volumes of data easy to understand. First, we introduce the insight needs of different stakeholder groups. Second, we compare the wide variety of data provided by major MOOC platforms. Third, we present a novel framework that distinguishes visualizations by the type of questions they answer. We then review the state of the art MOOC visual analytics using a tabulation of stakeholder needs versus visual analytics workflow types. Finally, we present new data analysis and visualization workflows for statistical, geospatial, and topical insights. The workflows have been optimized and validated in the Information Visualization MOOC (IVMOOC) annually taught at Indiana University since 2013. All workflows, sample data, and visualizations are provided at http://cns.iu.edu/2016-MOOCVis.html.
Exploiting item co‐utility to improve collaborative filtering recommendations
Authors: Bessa A. , Santos R.L.T. , Veloso A. , Ziviani N.
Published: July 2017

In this article we study the extent to which the interplay between recommended items affect recommendation effectiveness. We introduce and formalize the concept of co‐utility as the property that any pair of recommended items has of being useful to a user, and exploit it to improve collaborative filtering recommendations. We present different techniques to estimate co‐utility probabilities, all of them independent of content information, and compare them with each other. We use these probabilities, as well as normalized predicted ratings, in an instance of an
‐hard problem termed the Max‐Sum Dispersion Problem (MSDP). A solution to MSDP hence corresponds to a set of items for recommendation. We study one heuristic and one exact solution to MSDP and perform comparisons among them. We also contrast our solutions (the best heuristic to MSDP) to different baselines by comparing the ratings users give to different recommendations. We obtain expressive gains in the utility of recommendations and our solutions also recommend higher‐rated items to the majority of users. Finally, we show that our co‐utility solutions are scalable in practice and do not harm recommendations' diversity.
Citations, mandates, and money: Author motivations to publish in chemistry hybrid open access journals
Authors: Nelson Gregory M. , Eggett Dennis L.
Published: July 2017

Hybrid open access refers to articles freely accessible via the Internet but which originate from an academic journal that provides most of its content via subscription. The effect of hybrid open access on citation counts and author behavior in the field of chemistry is something that has not been widely studied. We compared 814 open access articles and 27,621 subscription access articles published from 2006 through 2011 in American Chemical Society journals. As expected, the 2 comparison groups are not equal in all respects. Cumulative citation data were analyzed from years 2–5 following an article's publication date. A citation advantage for open access articles was correlated with the journal impact factor (IF) in low and medium IF journals, but not in high IF journals. Open access articles have a 24% higher mean citation rate than their subscription counterparts in low IF journals (confidence limits 8–42%, p = .0022) and similarly, a 26% higher mean citation rate in medium IF journals (confidence limits 14–40%, p < .001). Open access articles in high IF journals had no significant difference compared to subscription access articles (13% lower mean citation rate, confidence limits −27–3%, p = .10). These results are correlative, not causative, and may not be completely due to an open access effect. Authors of the open access articles were also surveyed to determine why they chose a hybrid open access option, paid the required article processing charge, and whether they believed it was money well spent. Authors primarily chose open access because of funding mandates; however, most considered the money well spent because open access increases information access to the scientific community and the general public, and potentially increases citations to their scholarship.
Design and synthesis of the BODIPY–BSA complex for biological applications
Authors: Vedamalai Mani , Gupta Iti
Published: July 2017

A 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

The 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

Aerobic 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.
Thermal Stimuli‐Triggered Drug Release from a Biocompatible Porous Metal–Organic Framework
Authors: Jiang Ke , Zhang Ling , Hu Quan , Zhang Qi , Lin Wenxin , Cui Yuanjing , Yang Yu , Qian Guodong
Published: July 2017

Drug delivery carriers with a high drug loading capacity and biocompatibility, especially for controlled drug release, are urgently needed due to the side effects and frequently dose in the traditional therapeutic method. In our work, a Zr‐based metal–organic framework named ZJU‐801, which is isoreticular with NU‐801, has been designed and further demonstrated as an excellent drug delivery system (DDS) with a high drug loading of 41.7 %. Such a high drug loading capacity may be ascribed to the appropriate match of the size and the large pore volume of this kind of Zr MOF material. Compared with DS@NU‐801, this DDS has successfully achieved on‐command heating‐activated drug release, which was probably attributed to the bulkier ligand, the better stability, and the intense π–π interaction between ZJU‐801 and diclofenac sodium (DS) demonstrated comprehensively by SEM, powder X‐ray diffraction (PXRD), FTIR and 13C solid‐state NMR spectroscopy as well as computer simulations. It is worth noting that premature drug release was avoided effectively without any complicated post‐modifications. The low cytotoxicity and good biocompatibility of our DDS were certificated by the in vitro favorable results from an MTT assay, a WST‐1 assay, and confocal microscopy imaging.
“Conducted Tour” Migration of Li+ during the cis/trans Stereoinversion of α‐Arylvinyllithiums
Authors: Knorr Rudolf , Behringer Claudia , Ruhdorfer Jakob , von Roman Ulrich , Lattke Ernst , Böhrer Petra
Published: July 2017

A “conducted tour” migration keeps a mobile client on a profitable route even though an occasional side‐step may seem attractive. A stereochemical manifestation of such a migration had been suggested by Donald J. Cram (1964), and we present now a different example that concerns the cis/trans stereoinversion of monomeric H2C=C(Li)‐aryl compounds: Upon tetrahydrofuran (THF)‐assisted heterolysis of the Li−C bond with formation of a solvent‐separated ion pair (SSIP), the unchained “mobile client” Li+(THF)4 is proposed to surmount the rim of the electronically fixed aryl group and to disdain the less encumbered pathways across the H2C=C region. This interpretation is based on knowledge from a previously published series of monomeric α‐arylalkenyllithiums in combination with two new members: 4‐(α‐lithiovinyl)‐2,2‐dimethylbenz[f]indane (1) revealed both a barrier against α‐aryl rotation and a route‐distinguishing retardation as compared with the corresponding migration‐dependent cis/trans stereoinversion rate constant of 1‐(α‐lithiovinyl)naphthalene (2). Monomeric and dimeric ground states of 1 and 2 and their microsolvation numbers were determined by using the recently developed primary and secondary NMR criteria.
Confined Sulfur in 3 D MXene/Reduced Graphene Oxide Hybrid Nanosheets for Lithium–Sulfur Battery
Authors: Bao Weizhai , Xie Xiuqiang , Xu Jing , Guo Xin , Song Jianjun , Wu Wenjian , Su Dawei , Wang Guoxiu
Published: July 2017

Three‐dimensional metal carbide MXene/reduced graphene oxide hybrid nanosheets are prepared and applied as a cathode host material for lithium–sulfur batteries. The composite cathodes are obtained through a facile and effective two‐step liquid‐phase impregnation method. Owing to the unique 3 D layer structure and functional 2 D surfaces of MXene and reduced graphene oxide nanosheets for effective trapping of sulfur and lithium polysulfides, the MXene/reduced graphene oxide/sulfur composite cathodes deliver a high initial capacity of 1144.2 mAh g−1 at 0.5 C and a high level of capacity retention of 878.4 mAh g−1 after 300 cycles. It is demonstrated that hybrid metal carbide MXene/reduced graphene oxide nanosheets could be a promising cathode host material for lithium–sulfur batteries.
Semiconducting Coordination Polymers Based on the Predesigned Ternary Te‐Fe‐Cu Carbonyl Cluster and Conjugation‐Interrupted Dipyridyl Linkers
Authors: Shieh Minghuey , Yu Chia‐Chi , Miu Chia‐Yeh , Kung Chang‐Hung , Huang Chung‐Yi , Liu Yu‐Hsin , Liu Hsiang‐Lin , Shen Chih‐Chiang
Published: July 2017

Invited for the cover of this issue is the group of Minghuey Shieh and Hsiang‐Lin Liu at the National Taiwan Normal University. The image depicts the mechanosynthesis of semiconducting coordination polymers and the electron communication facilitated by secondary forces within these frameworks. Read the full text of the article at 10.1002/chem.201701257.
Coexistence of Normal and Auxetic Behavior in a Thermally and Chemically Stable sp3 Nanothread: Poly[5]asterane
Authors: Saha Biswajit , Pratik Saied Md. , Datta Ayan
Published: July 2017

A one‐dimensional nanostructure with sp3‐hybridized carbon atoms, namely, poly[5]asterane (PA), is predicted by means of electronic structure calculations and reactive molecular dynamics simulations. Thermochemical analysis based on homodesmotic reactions showed that the formation of poly[5]asterane is more favorable than that of polytriangulane and comparable to that of polytwistane. A plane‐wave DFT approach gave a computed Young's modulus of about 0.84 TPa, which is quite promising and comparable to those of other sp3‐hybridized nanothreads. Simulations of the desorption of hydrogen atoms from PA showed a high activation energy (Ea≈52 kcal mol−1), which again indicates substantial chemical stability. Interestingly, PA was shown to exhibit auxetic behavior (negative Poisson's ratio). Thus, PA is advocated as a new mechanically and chemically stable nanothread with exotic auxetic behavior.
Anomeric 2′‐Deoxycytidines and Silver Ions: Hybrid Base Pairs with Greatly Enhanced Stability and Efficient DNA Mismatch Detection with α‐dC
Authors: Guo Xiurong , Seela Frank
Published: July 2017

α‐d‐Nucleosides are rare in nature but can develop fascinating properties when incorporated into DNA. This work reports on the first silver‐mediated base pair constructed from two anomeric nucleosides: α‐dC and β‐dC. The hybrid base pair was integrated into the DNA and DNA/RNA double helix. A 12‐mer duplex with α‐dC and β‐dC pair exhibits a higher thermal stability (Tm=43 °C) than that incorporating the β‐dC–Ag+–β‐dC homo pair (Tm=34 °C). Furthermore, α‐dC shows excellent mismatch discrimination for DNA single nucleotide polymorphism (SNP). All four SNPs were identified on the basis of large Tm value differences measured in the presence of silver ions. High resolution melting was not required.
MINT‐EC – Das nationale Excellence‐Schulnetzwerk
Authors: Zielsdorf Jana
Published: July 2017

Talentierte Schülerinnen und Schüler in Mathematik, Informatik, Naturwissenschaften und Technik, MINT, fördern, Lehrkräften die Anbindung des Fachunterrichts an den aktuellen Stand der Forschung ermöglichen, Schulleitungen bei der qualitativen Schulentwicklung unterstützen – das sind die Ziele, die MINT‐EC – Das nationale Excellence‐Schulnetzwerk in Kooperation mit Partnern aus Wirtschaft und Wissenschaft sowie in enger Zusammenarbeit mit den MINT‐EC‐Schulen verfolgt. Hauptförderer von MINT‐EC sind der Arbeitgeberverband Gesamtmetall im Rahmen der Initiative think ING. sowie die Siemens Stiftung und die bayerischen Arbeitgeberverbände vbm bayme / vbw.