bluuebunny/crossref_metadata_2025 huggingface dataset:
Artificial neural network (ANN)‐based prediction of depth filter loading capacity for filter sizing
Authors: Agarwal Harshit , Rathore Anurag S. , Hadpe Sandeep Ramesh , Alva Solomon J.
Published: July 2016

This article presents an application of artificial neural network (ANN) modelling towards prediction of depth filter loading capacity for clarification of a monoclonal antibody (mAb) product during commercial manufacturing. The effect of operating parameters on filter loading capacity was evaluated based on the analysis of change in the differential pressure (DP) as a function of time. The proposed ANN model uses inlet stream properties (feed turbidity, feed cell count, feed cell viability), flux, and time to predict the corresponding DP. The ANN contained a single output layer with ten neurons in hidden layer and employed a sigmoidal activation function. This network was trained with 174 training points, 37 validation points, and 37 test points. Further, a pressure cut‐off of 1.1 bar was used for sizing the filter area required under each operating condition. The modelling results showed that there was excellent agreement between the predicted and experimental data with a regression coefficient (R2) of 0.98. The developed ANN model was used for performing variable depth filter sizing for different clarification lots. Monte‐Carlo simulation was performed to estimate the cost savings by using different filter areas for different clarification lots rather than using the same filter area. A 10% saving in cost of goods was obtained for this operation. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 32:1436–1443, 2016
Extracellular synthesis of cuprous selenide nanospheres by a biological‐chemical coupling reduction process in an anaerobic microbial system
Authors: Yue Lei , Wang Jia , Qi Shiyue , Xin Baoping
Published: July 2016

Biosynthesis of metal nanoparticles represents a clean, eco‐friendly and sustainable “green chemistry” engineering. Lately, a number of metal selenides were successfully synthesized by biological methods. Here, cuprous selenide (Cu2Se) nanospheres were prepared under mild conditions by a novel biological‐chemical coupling reduction process. The simple process takes place between EDTA‐Cu and Na2SeO3 in presence of an alkaline solution containing NaBH4 and a selenite‐reducing bacteria, Pantoea agglomerans. It is noteworthy that the isolated Pantoea agglomerans and Cu+ ions, where the latter are obtained from reducing Cu2+ ions by NaBH4, play a key role, and Cu+ ions not only can promote the generation of Se2− ions as a catalyst, but also can react with Se2− ions to form Cu2Se. XRD pattern, SEM, and TEM images indicated that Cu2Se nanoparticles were tetragonal crystal structure and the nanospheres diameter were about 100 nm. EDX, UV–vis, and FTIR spectra show that the biosynthesized Cu2Se nanospheres are wrapped by protein and have a better stability. This work first proposes a new biosynthesis mechanism, and has important reference value for biological preparation of metal selenide nanomaterials. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 32:1264–1270, 2016
Prospecting Anticancer Compounds in Actinomycetes Recovered from the Sediments of Saint Peter and Saint Paul's Archipelago, Brazil
Authors: Ferreira Elthon G. , Torres Maria da Conceição M. , da Silva Alison B. , Colares Larissa L. F. , Pires Karine , Lotufo Tito M. C. , Silveira Edilberto R. , Pessoa Otília D. L. , Costa‐Lotufo Leticia V. , Jimenez Paula C.
Published: July 2016

Saint Peter and Saint Paul's Archipelago is a collection of 15 islets and rocks remotely located in the equatorial Atlantic Ocean. In this particular site, the present project intended to assess the biodiversity and biotechnological potential of bacteria from the actinomycete group. This study presents the first results of this assessment. From 21 sediment samples, 268 strains were isolated and codified as BRA followed by three numbers. Of those, 94 strains were grown in liquid media and submitted to chemical extractions with AcOEt (A), BuOH (B), and MeOH (M). A total of 224 extracts were screened for their cytotoxic activity and 41 were significantly active against HCT‐116 cancer cells. The obtained IC50 values ranged from 0.04 to 31.55 μg/ml. The HR‐LC/MS dereplication analysis of the active extracts showed the occurrence of several known anticancer compounds. Individual compounds, identified using HR‐MS combined with analysis of the AntiMarin database, included saliniketals A and B, piericidins A and C and glucopiericidin A, staurosporine, N‐methylstaurosporine, hydroxydimethyl‐staurosporine and N‐carbamoylstaurosporine, salinisporamycin A, and rifamycins S and B. BRA‐199, identified as Streptomyces sp., was submitted to bioassay‐guided fractionation, leading to isolation of the bioactive piericidins A and C, glucopiericidin, and three known diketopiperazines, cyclo(l‐Phe‐trans‐4‐OH‐l‐Pro), cyclo(l‐Phe‐l‐Pro), and cyclo(l‐Trp‐l‐Pro).
The incidence of slow flow after rotational atherectomy of calcified coronary arteries: A randomized study of low speed versus high speed
Authors: Sakakura Kenichi , Funayama Hiroshi , Taniguchi Yousuke , Tsurumaki Yoshimasa , Yamamoto Kei , Matsumoto Mitsunari , Wada Hiroshi , Momomura Shin‐ichi , Fujita Hideo
Published: July 2016

Objectives

The purpose of this randomized trial was to compare the incidence of slow flow between low‐speed and high‐speed rotational atherectomy (RA) of calcified coronary lesions.

Background

Preclinical studies suggest that slow flow is less frequently observed with low‐speed than high‐speed RA because of less platelet aggregation with low‐speed RA.

Methods

This was a prospective, randomized, single center study. A total of 100 patients with calcified coronary lesions were enrolled and randomly assigned in a 1:1 ratio to low‐speed (140,000 rpm) or high‐speed (190,000 rpm) RA. The primary endpoint was the occurrence of slow flow following RA. Slow flow was defined as slow or absent distal runoff (Thrombolysis in Myocardial Infarction [TIMI] flow grade ≤ 2).

Results

The incidence of slow flow in the low‐speed group (24%) was the same as that in the high‐speed group (24%) (P = 1.00; odds ratio, 1.00; 95% confidence interval, 0.40–2.50). The frequencies of TIMI 3, TIMI 2, TIMI 1, and TIMI 0 flow grades were similar between the low‐speed (TIMI 3, 76%; TIMI 2, 14%; TIMI 1, 8%; TIMI 0, 2%) and high‐speed (TIMI 3, 76%; TIMI 2, 14%; TIMI 1, 10%; TIMI 0, 0%) groups (P = 0.77 for trend). The incidence of periprocedural myocardial infarction was the same between the low‐speed (6%) and high‐speed (6%) groups (P = 1.00).

Conclusions

This randomized trial did not show a reduction in the incidence of slow flow following low‐speed RA as compared with high‐speed RA (UMIN ID: UMIN000015702). © 2016 Wiley Periodicals, Inc.
From smooth to stepped, coarse and derivative high index facets on (111) facets of cubic bismuth phosphate crystal
Authors: Zhao Ying , Du Songjie , Ding Jianxu , Cui Hongzhi , Zhan Xiaoyuan , Wu Jie
Published: July 2016

The bcc like structure of cubic bismuth phosphate (Bi13.1POδ) crystal, makes (111) facets hardly be exposed according to the Bravais rule. In this paper, we are focusing on the exposure of smooth (111) facets on cubic bismuth phosphate crystal, and particularly on the process of the smooth (111) facets transforming to stepped and coarse (111) facets by varying the growth conditions, such as the Bi: P ratio of the raw materials, pH values, EDTA concentrations, etc. The results revealed that lower Bi: P ratio was beneficial to smooth (111) facets and with a rise of Bi: P ratio, the (111) facets transformed from smooth surface to stepped and coarse surfaces. With a moderate Bi: P ratio and EDTA concentrations, novel facets with high index were derived on the (111) facets, which were deduced as (611) facets. Additionally, the growth mechanism of the process was summarized in terms of the growth units affected by the Bi: P ratio, pH values and the presence of EDTA.
Publicly available school websites — caption or censor?
Authors: Masinter Michael R.
Published: July 2016

On May 9, the Justice Department issued a Supplemental Advance Notice of Proposed Rulemaking postponing issuing regulations addressing website accessibility under Title II of the Americans with Disabilities Act. DOJ previously postponed proposed rulemaking for websites under Title III until it completes Title II rulemaking. DOJ solicited additional public comment through August 8, putting off new web accessibility regulations until at least 2018, after the next president takes office. But DOJ's notice made clear its current view of web accessibility requirements for both public and private postsecondary institutions. Even more importantly, DOJ has asserted its position in litigation brought by the National Association of the Deaf against Harvard University and the Massachusetts Institute of Technology, seeking to establish by court ruling what it has not yet made law by rulemaking. Stated simply, DOJ believes that unless postsecondary institutions preemptively caption before posting any audiovisual or audio web content made available by anyone to the public on their websites, the schools violate the ADA unless they can prove that to do so for particular content would be an undue burden.
Employ and safeguard confidential disability‐related electronic information and interactions
Authors: Bedrossian Louise
Published: July 2016

At the internet's inception, it was hard to imagine the multitude of its functions today, including the delivery of confidential services.
Quantifying spatially and temporally explicit CO2 fertilization effects on global terrestrial ecosystem carbon dynamics
Authors: Liu Shaoqing , Zhuang Qianlai , Chen Min , Gu Lianhong
Published: July 2016

Current terrestrial ecosystem models are usually driven with global average annual atmospheric carbon dioxide (CO2) concentration data at the global scale. However, high‐precision CO2 measurement from eddy flux towers showed that seasonal, spatial surface atmospheric CO2 concentration differences were as large as 35 ppmv and the site‐level tests indicated that the CO2 variation exhibited different effects on plant photosynthesis. Here we used a process‐based ecosystem model driven with two spatially and temporally explicit CO2 data sets to analyze the atmospheric CO2 fertilization effects on the global carbon dynamics of terrestrial ecosystems from 2003 to 2010. Our results demonstrated that CO2 seasonal variation had a negative effect on plant carbon assimilation, while CO2 spatial variation exhibited a positive impact. When both CO2 seasonal and spatial effects were considered, global gross primary production and net ecosystem production were 1.7 Pg C·yr−1 and 0.08 Pg C·yr−1 higher than the simulation using uniformly distributed CO2 data set and the difference was significant in tropical and temperate evergreen broadleaf forest regions. This study suggests that the CO2 observation network should be expanded so that the realistic CO2 variation can be incorporated into the land surface models to adequately account for CO2 fertilization effects on global terrestrial ecosystem carbon dynamics.
Diastereoselective Synthesis of Pyranoquinolines on Zirconium‐Containing UiO‐66 Metal‐Organic Frameworks
Authors: Rechac Víctor L. , Cirujano Francisco G. , Corma Avelino , Llabrés i Xamena Francesc X.
Published: July 2016

The Zr terephthalate MOFs UiO‐66 and UiO‐66‐NH2 have been found to be highly diastereoselective catalysts for the synthesis of a pyrano[3,2‐c]quinoline through an inverse electron‐demand aza‐Diels–Alder [4+2] cycloaddition of an aryl imine (formed in situ from aniline and benzaldehyde) and 3,4‐dihydro‐2H‐pyran in one pot, affording the corresponding trans isomer in diastereomeric excesses of 90–95 %. The solids are stable under the reaction conditions and can be reused at least three times without significant loss of activity or diastereoselectivity.
Direct Sulfination of Nonactivated Alcohols with Arylsulfonylmethyl Isocyanides
Authors: Ji Yuan‐Zhao , Wang Meirong , Li Hui‐Jing , Liu Ying , Wu Yan‐Chao
Published: July 2016

A direct sulfination of nonactivated alcohols with arylsulfonylmethyl isocyanides under mild conditions [10 mol‐% of Bi(OTf)3, 25 °C] was developed to afford sulfinates instead of the usually favored sulfones. The in situ multiple alcohol activation strategies, along with the properties of sulfones and sulfinate anions, were proposed to explain the reversed sulfinate/sulfone selectivity.
Synthesis, Separation and Absolute Configuration Determination by ECD Spectroscopy and TDDFT Calculations of 3‐Amino‐β‐lactams and Derived Guanidines
Authors: Dražić Tonko , Roje Marin , Jurin Mladenka , Pescitelli Gennaro
Published: July 2016

Four isomeric chiral 3‐amino‐β‐lactams 4 with p‐fluorophenyl and p‐methoxyphenyl substituents at N and C‐4 positions, similar to the cholesterol absorption inhibitor ezetimibe, have been prepared as diastereomerically and enantiomerically pure compounds by ester enolate/imine cyclocondensation. The same route afforded analogues with a 1,3‐benzodioxole instead of the p‐methoxyphenyl group. Moreover, β‐lactams 4a,b were converted into benzoylguanidine derivatives. The series of chiral β‐lactams and β‐lactam guanidines was characterized by electronic circular dichroism (ECD) spectroscopy, and their absolute configurations were assigned based on ECD TDDFT calculations. The calculations also demonstrated that the β‐lactam sector and helicity rules cannot be applied to β‐lactams appended with aromatic chromophores such as the present ezetimibe analogues.
Fit between decision mode and processing style predicts subjective value of chosen alternatives
Authors: Dijkstra Koen A. , van der Pligt Joop , van Kleef Gerben A.
Published: July 2016

Intuition is associated with a global processing style, whereas deliberation is associated with a local processing style. Drawing on previous research on the effects of decisional fit on the subjective value attached to chosen alternatives, we examined the possibility that a fit between processing style and decision mode results in greater subjective value than a lack of fit. In three experiments employing various combinations of naturally occurring and experimentally manipulated processing styles and decision modes, we found that when congruence was high (i.e., global processing style and intuitive judgment, or local processing style and deliberative judgment), participants judged their chosen item to be more expensive than when congruence was low. These findings indicate that increased fit resulted in higher estimated value. We discuss implications for judgment and decision‐making.
A Sensitive and Selective Nitrite Detection in Water Using Graphene/Platinum Nanocomposite
Authors: Vijayaraj Kathiresan , Jin Sung‐Ho , Park Deog‐Su
Published: July 2016

A glassy carbon electrode modified with reduced graphene oxide and platinum nanocomposite film was developed simply by electrochemical method for the sensitive and selective detection of nitrite in water. The electrochemical reduction of graphene oxide (GO) efficiently eliminates oxygen‐containing functional groups. Pt nanoparticles were electrochemically and homogeneously deposited on the ErGO surface. Field emission scanning electron microscopy (FE‐SEM), Raman spectroscopy, attenuated total reflectance‐fourier transform infrared spectroscopy (ATR‐FTIR), electrochemical impedance spectroscopy (EIS), and cyclic voltammetry (CV) were used to examine the surface morphology and electrocatalytic properties of the Pt‐ErGO nanocomposite film‐modified electrode surface. The fabricated nitrite sensor showed good electrochemical performance with two linear ranges; one from 5 to 100 µM (R2=0.9995) and the other from 100 to 1000 µM (R2=0.9972) and a detection limit of 0.22 µM. The proposed sensor was successfully applied for the detection of nitrite in tap water samples which proves performance of the Pt‐ErGO nanocomposite films.
Electrochemical Studies of Inclusion Complex Formed Between Glutathione and β‐cyclodextrin‐modified Carbon Electrodes and its Application for Determination of Glutathione
Authors: Martínez‐Sánchez Carolina , Torres‐Rodríguez Luz M. , García‐de la Cruz Ramón F.
Published: July 2016

In this work, the electrochemical determination of glutathione (GSH) using β‐cyclodextrin (β‐CD) modified carbon electrodes was carried out. Different methodologies were used to modify the electrodes. In the first part of this paper, we analyze and compare the ability of the electrodes to determine GSH using the different β‐CD‐modified electrodes and cyclic voltammetry. We found that the carbon paste electrode modified by potential sweeping was the best electrode for GSH determination; in addition, we found that an inclusion complex formed between β‐CD deposited on the electrode surface and GSH. The formation constant for this complex was 2498.54 M−1 at 25 °C. Furthermore, we have also calculated thermodynamic parameters for the formation of the inclusion complex. In the second part of this paper, we analyze the effect of sweep rate and pH on the determination of GSH. The best results were obtained at a rate of 50 mV s−1 and a pH of 2.2. The β‐CD‐modified carbon paste electrode exhibits a linear response in a concentration range of 20 to 157 µM with a sensitivity of 1083.65 µA mM−1cm−2 and a detection limit of 3.92 µM. Finally, the electrode was used to determine the GSH concentration in Eichhornia crassipes root extract, and the concentration determination accuracy was validated by a well‐known spectroscopic method.
Rapid and Sensitive Electrochemical Detection of Carbaryl Based on Enzyme Inhibition and Thiocholine Oxidation Mediated by a Ruthenium(III) Complex
Authors: Fang Chiew San , Oh Kyung Hwan , Park Jin Kyoon , Yang Haesik
Published: July 2016

In the electrochemical detection method for pesticides that measures their inhibitory effects on acetylcholinesterases (AChEs), the direct electrooxidation of the enzyme product (thiocholine, SCh) is slow at conventional electrodes. To overcome this limitation, an electron mediator is required to lower the applied potential and facilitate the transfer of electrons between the enzyme product and electrode. In this study, [Ru(NH3)5py]3+ is introduced as an electron mediator in inhibition‐based pesticide detection. To obtain a better signal‐to‐background ratio, [Ru(NH3)5py]3+, which undergoes a fast outer‐sphere reaction, is combined with low‐electrocatalytic indium‐tin‐oxide (ITO) electrodes at which many interfering species undergo slow redox reactions. AChE is immobilized onto an avidin‐modified ITO electrode via the direct adsorption of avidin onto ITO followed by the biospecific binding of biotinylated AChE to the avidin. SCh is generated from acetylthiocholine by AChE. Subsequently, SCh converts [Ru(NH3)5py]3+ to [Ru(NH3)5py]2+, which is then oxidized at the ITO electrode. This procedure allows the sensitive detection of carbaryl at a low applied potential of 0.15 V vs Ag/AgCl. The calculated detection limit for carbaryl is approximately 0.3 pM. This simple and sensitive pesticide sensor is thus very promising and should be extendable to the onsite environmental monitoring of other pesticides.
Design of Micro‐interdigitated Electrodes and Detailed Impedance Data Analysis for Label‐free Biomarker Quantification
Authors: Jayasooriya Vidura , Nawarathna Dharmakeerthi
Published: July 2016

Electrical impedance based biosensing is a label‐free technique that is gaining momentum in biology/medicine. The electrical impedance, typically measured using an array of micro‐fabricated interdigitated electrode array (IDE), is a byproduct of the interaction between electric fields and target bio‐molecules/cells. In current impedance based biosensing, it has been focused on utilizing the magnitude of the impedance (|Z|) to detect/quantify bio‐molecules. There were no reports on designing IDE electrodes, sensitivity analysis and detailed impedance data analysis. To address this issue, we have designed and fabricated IDE array and performed model experiments. We have found that depending on the frequency of the external electric potential, there is a variation of electric field across the array of IDEs from first pair to last pair. We then developed impedance data analysis technique (using (|Z|) and its phase (φ)) to analyze the complex impedance data, and finally, we have utilized Warburg theoretical circuit model to calculate the capacitance and resistance of the individual IDE pairs in the constant phase impedance region. Using the capacitance values, we have developed a procedure to determine the sensitivity of the IDE array. We have found that sensitivity of the IDE array does not depend on the sample conductivity.
Mitochondrial compromise in 3‐year old patas monkeys exposed in utero to human‐equivalent antiretroviral therapies
Authors: Liu Yongmin , Shim Park Eunwoo , Gibbons Alexander T. , Shide Eric D. , Divi Rao L. , Woodward Ruth A. , Poirier Miriam C.
Published: July 2016

Antiretroviral (ARV) drug therapy, given during pregnancy for prevention of mother‐to‐child transmission of human immunodeficiency virus 1 (HIV‐1), induces fetal mitochondrial dysfunction in some children. However, the persistence/reversibility of that dysfunction is unclear. Here we have followed Erythrocebus patas (patas) monkey offspring for up to 3 years of age (similar in development to a 15‐year old human) after exposure of the dams to human‐equivalent in utero ARV exposure protocols. Pregnant patas dams (3–5/exposure group) were given ARV drug combinations that included zidovudine (AZT)/lamivudine (3TC)/abacavir (ABC), or AZT/3TC/nevirapine (NVP), for the last 10 weeks (50%) of gestation. Infants kept for 1 and 3 years also received drug for the first 6 weeks of life. In offpsring at birth, 1 and 3 years of age mitochondrial morphology, examined by electron microscopy (EM), was compromised compared to the unexposed controls. Mitochondrial DNA (mtDNA), measured by hybrid capture chemiluminescence assay (HCCA) was depleted in hearts of patas exposed to AZT/3TC/NVP at all ages (P < 0.05), but not in those exposed to AZT/3TC/ABC at any age. Compared to unexposed controls, mitochondrial reserve capacity oxygen consumption rate (OCR by Seahorse) in cultured bone marrow mesenchymal fibroblasts from 3‐year‐old patas offspring was ∼50% reduced in AZT/3TC/ABC‐exposed patas (P < 0.01), but not in AZT/3TC/NVP‐exposed patas. Overall the data show that 3‐year‐old patas sustain persistent mitochondrial dysfunction as a result of perinatal ARV drug exposure. Environ. Mol. Mutagen. 57:526–534, 2016. © 2016 Wiley Periodicals, Inc.
Dissociable relations between amygdala subregional networks and psychopathy trait dimensions in conduct‐disordered juvenile offenders
Authors: Aghajani Moji , Colins Olivier F. , Klapwijk Eduard T. , Veer Ilya M. , Andershed Henrik , Popma Arne , van der Wee Nic J. , Vermeiren Robert R.J.M.
Published: July 2016

Psychopathy is a serious psychiatric phenomenon characterized by a pathological constellation of affective (e.g., callous, unemotional), interpersonal (e.g., manipulative, egocentric), and behavioral (e.g., impulsive, irresponsible) personality traits. Though amygdala subregional defects are suggested in psychopathy, the functionality and connectivity of different amygdala subnuclei is typically disregarded in neurocircuit‐level analyses of psychopathic personality. Hence, little is known of how amygdala subregional networks may contribute to psychopathy and its underlying trait assemblies in severely antisocial people. We addressed this important issue by uniquely examining the intrinsic functional connectivity of basolateral (BLA) and centromedial (CMA) amygdala networks in relation to affective, interpersonal, and behavioral traits of psychopathy, in conduct‐disordered juveniles with a history of serious delinquency (N = 50, mean age = 16.83 ± 1.32). As predicted, amygdalar connectivity profiles exhibited dissociable relations with different traits of psychopathy. Interpersonal psychopathic traits not only related to increased connectivity of BLA and CMA with a corticostriatal network formation accommodating reward processing, but also predicted stronger CMA connectivity with a network of cortical midline structures supporting sociocognitive processes. In contrast, affective psychopathic traits related to diminished CMA connectivity with a frontolimbic network serving salience processing and affective responding. Finally, behavioral psychopathic traits related to heightened BLA connectivity with a frontoparietal cluster implicated in regulatory executive functioning. We suggest that these trait‐specific shifts in amygdalar connectivity could be particularly relevant to the psychopathic phenotype, as they may fuel a self‐centered, emotionally cold, and behaviorally disinhibited profile. Hum Brain Mapp 37:4017–4033, 2016. © 2016 The Authors Human Brain Mapping Published by Wiley Periodicals, Inc.
Thioether Coordination Chemistry for Molecular Imaging of Copper in Biological Systems
Authors: Ramos‐Torres Karla M. , Kolemen Safacan , Chang Christopher J.
Published: July 2016

Copper is an essential element in biological systems. Its potent redox activity renders it necessary for life, but at the same time, misregulation of its cellular pools can lead to oxidative stress implicated in aging and various disease states. Copper is commonly thought of as a static cofactor buried in protein active sites; however, evidence of a more loosely bound, labile pool of copper has emerged. To help identify and understand new roles for dynamic copper pools in biology, we have developed selective molecular imaging agents for this metal, drawing inspiration from both biological binding motifs and synthetic model complexes that reveal thioether coordination as a general design strategy for selective and sensitive copper recognition. In this review, we summarize some contributions, primarily from our own laboratory, on fluorescence‐ and magnetic resonance‐based molecular‐imaging probes for studying copper in living systems using thioether coordination chemistry.
Metallocorroles as Electrocatalysts for the Oxygen Reduction Reaction (ORR)
Authors: Mahammed Atif , Gross Zeev
Published: July 2016

The oxygen reduction reaction (ORR) is the most important reaction in life processes and in energy transformation, such as fuel cells. Normally, the ORR in a fuel cell is very slow and a cathode ORR catalyst is needed to reach a practical usable level. Pt‐based materials are the most effective catalysts, but they are too expensive to make fuel cells commercially viable and hence extensive research has focused on developing alternative catalysts. First row transition metallocorroles are potent catalysts for many reactions, and they may eventually be used as true alternatives to the precious metals currently used. Regarding ORR, brominated cobalt corrole has been shown to operate almost as well as an industry standard platinum‐based catalyst. In this review, we would like to summarize the progress that has been made in this field.
AGILE SYSTEM‐SECURITY: SUSTAINABLE SYSTEMS EVOLVE WITH THEIR ENVIRONMENT
Authors: Dove Rick
Published: July 2016

This overview article and the accompanying essays lay groundwork for, and perspectives on, agile system‐security guidance for systems engineering. No expertise in security engineering is assumed or necessary to glean systems engineering value. With an agile attack environment, agile system‐security is necessary. Agile security is defined as both a resilient (reactive) and composable (proactive) capability to effectively address the unpredictable and ever‐evolving environment of adversarial attacker and attack methods – a systems‐engineered capability enabled by the system's architecture and design. This definition is agnostic to the type of system, and can encompass information systems, cyberphysical systems, physical systems, enterprise systems, social systems, and military systems. The systems engineering community is addressed with considerations felt necessary for next‐generation agile security, enabled by thoughtful systems engineering.
ANTS™: A BIOLOGICALLY‐INSPIRED MODEL FOR AGILE CYBER DEFENSE
Authors: Crane Earl
Published: July 2016

Current cyber security defenses are failing from increased scale and complexity. Cyber defenders and executive leadership struggle to secure what matters most to prevent the next inevitable breach. For inspiration, we look to ants as a survivable and resilient ecosystem, defining an appetite for cyber risk, a model for distributed communication about what makes us nervous, and simple characteristics inspired by the ant for agile cyber defense.
SYSTEM‐AWARE CYBER SECURITY: A SYSTEMS ENGINEERING APPROACH FOR ENHANCING CYBER SECURITY
Authors: Horowitz Barry M. , Lucero D. Scott
Published: July 2016

This article highlights the importance of concurrently addressing process, people, and technology factors when conducting research related to new systems engineering concepts. In particular, an ongoing US Department of Defense‐sponsored, University of Virginia‐led cyber security research project is used as an example of how concurrent research activities provide value earlier in the technology design phase than otherwise would have occurred. The example project focuses on adding a new layer of protection for computer‐controlled physical systems. Through concurrent efforts, the research team developed a better a protection approach, resulting in better prospects for transition into use.
A PATH TOWARDS CYBER RESILIENT AND SECURE SYSTEMS METRICS AND MEASURES
Authors: Dunlap Holly
Published: July 2016

A holistic and defense in depth approach to program protection must be taken to increase system survivability. Systems security engineers (SSE) work with security specialty subject matter experts in specialties such as cyber security, software and hardware assurance, supply chain, anti‐tamper and general program security to integrate a security perspective throughout the systems engineering process and product development lifecycle.

Today security specialties have varying methods, metrics, and measures to evaluate their threats, vulnerabilities, and likelihood of impact to the system's operational mission. This variability causes significant challenges throughout the system development lifecycle starting with articulating customer system security requirements to validating and verifying countermeasure implementation effectiveness to achieve acceptable levels of risk mitigation. To manage, balance, and conduct risk based trades, SSEs need a common metric with a common scale to evaluate security quality system attributes.

This article explores concepts for consideration, which include establishing a common system security risk metric, integrating cyber resilient design within the system architecture, and methods for proving system security. These concepts apply to each security specialty and each security specialty contributes to the overall survivability of a system.
ARCHITECTING COMPOSABLE SECURITY
Authors: Dōne Brian K. , Willett Keith D. , Benjamin Bruce P. , Sterne Dan F. , Tally Gregg W. , Viel David W.
Published: July 2016

Cyber adversaries' reuse similar tools and techniques. Cyberspace‐attack response times are currently too slow because existing response solutions require humans in the loop. Many cyber alerts are never analyzed due to lack of available analyst time, which enable attacks to gain a deeper penetration before detection and remediation. Today's existing cyber defense approaches cannot be scaled due to the labor‐intensive nature. Integrated Adaptive Cyberspace Defense (IACD) seeks to improve cyber security automation, increase information sharing, and encourage interoperability between commercial tools to achieve composable security where the right tools are engaged at the right time for the right reasons.
AGILE SYSTEMS IN HEALTHCARE
Authors: Unger Chris , Celentano Mike
Published: July 2016

The INCOSE Healthcare Working Group observed that many of our members from medical device companies use, or partially use, agile methods for software development. The Association for Advancing Medical Instrumentation published a report in 2012, with the US Food and Drug Administration (FDA), on applying agile methods for medical device software. A small group of representatives from various organizations in the Midwest region of the US convened to discuss the application of agile to “systems” development, which was relatively new for all of our attendees. The conference identified practices which were relatively common, and other candidate best practices which were applied by only a few organizations. Barriers to adoption and potential strategies for overcoming those barriers were identified and discussed. The group agreed that a series of continuing conferences on agile approaches to systems engineering in medical device development would be helpful.
Geometrical control of the interatomic coulombic decay process in quantum dots for infrared photodetectors
Authors: Dolbundalchok Praphasiri , Peláez Daniel , Aziz Emad F. , Bande Annika
Published: July 2016

In electron dynamics calculations the interatomic Coulombic decay (ICD) process has recently been shown to take place in two vertically‐aligned quantum dots (QDs). Energy emitted during the relaxation of one electron in one QD is converted into kinetic energy of another electron ejected from a neighboring QD. As the electronic structure of QDs can be controlled by their geometries, we prove here in thorough scans of the transversal and vertical QD confinement potentials’ widths that geometries are likewise control parameters for ICD. Such a comprehensive investigation has been enabled by a significant development of the calculations in terms of speed achieved among others by optimization of the grid and Coulomb interaction operator representations. As key result of this study we propose two cigar‐shaped singly‐charged GaAs QDs vertically aligned in the direction of their long side for a most efficient QD ICD realization useful for an infrared photodetector. © 2016 Wiley Periodicals, Inc.
Informatics‐Based Energy Fitting Scheme for Correlation Energy at Complete Basis Set Limit
Authors: Seino Junji , Nakai Hiromi
Published: July 2016

Energy fitting schemes based on informatics techniques using hierarchical basis sets with small cardinal numbers were numerically investigated to estimate correlation energies at the complete basis set limits. Numerical validations confirmed that the conventional two‐point extrapolation models can be unified into a simple formula with optimal parameters obtained by the same test sets. The extrapolation model was extended to two‐point fitting models by a relaxation of the relationship between the extrapolation coefficients or a change of the fitting formula. Furthermore, n‐scheme fitting models were developed by the combinations of results calculated at several theory levels and basis sets to compensate for the deficiencies in the fitting model at one level of theory. Systematic assessments on the Gaussian‐3X and Gaussian‐2 sets revealed that the fitting models drastically reduced errors with equal or smaller computational effort. © 2016 Wiley Periodicals, Inc.
Structural specialties, curiosities, and record‐breaking features of crustacean reproduction
Authors: Vogt Günter
Published: July 2016

Crustaceans are a morphologically, physiologically, and ecologically highly diverse animal group and correspondingly diverse are their reproductive characteristics. They have evolved structural specialties with respect to penis construction, sperm form, sperm storage, fertilization, and brood care. Unique in the animal kingdom are safety lines that safeguard hatching and first molting. Further curiosities are dwarf males in parasitic and sessile crustaceans and bacteria‐induced feminization and gigantism of crustacean hosts. Record‐breaking features are relative penis length, sperm size, clutch size, chromosome number, viability of dormant eggs, and fossil ages of penis, sperm, and brooded embryos. These examples from a single invertebrate subphylum and a single life history aspect illustrate that morphological solutions to functional requirements can be as spectacular as behavioral adaptations. They may provide valuable sources for comparative morphologists, ecologists, evolutionary biologists, and applied biologists to advance topical issues such as sperm competition, posthumous paternity, evolution of brood care, adaptation to freshwater, infectious feminization, sustainable male‐based fishery, maintenance of genetic diversity under conditions of limited mating opportunity, and long‐term impact of pollution on genotype and phenotype. J. Morphol. 277:1399–1422, 2016. © 2016 Wiley Periodicals, Inc.
Prospects of modeling poststroke epileptogenesis
Authors: Reddy Doodipala Samba , Bhimani Aamir , Kuruba Ramkumar , Park Min Jung , Sohrabji Farida
Published: July 2016

This Review describes the current status of poststroke epilepsy (PSE) with an emphasis on poststroke epileptogenesis modeling for testing new therapeutic agents. Stroke is a leading cause of epilepsy in an aging population. Late‐onset “epileptic” seizures have been reported in up to 30% cases after stroke. Nevertheless, the overall prevalence of PSE is 2–4%. Rodent models of stroke have contributed to our understanding of the relationship between seizures and the underlying ischemic damage to neurons. To understand whether acutely generated stroke events lead to a chronic phenotype more closely resembling PSE with recurrent seizures, a limited variety of approaches emerged in early 2000s. These limited methods of causing an occlusion in mice and rats show different infarct size and neurological deficits. The most often employed procedure for inducing focal ischemia is the middle cerebral artery occlusion. This mimics the pathophysiology seen in humans in terms of extent of damage to cortex and striatum. Photothrombosis and endothelin‐1 models can similarly evoke episodes of ischemic stroke. These models are well suited to studying mechanisms and biomarkers of epileptogenesis or optimizing novel drug discoveries. However, modeling of PSE is tedious, is highly variable, and lacks validity; therefore, it is not widely implemented in epilepsy research. Moreover, the relevance of ischemic models to specific forms of human stroke remains unclear. Stroke modeling in young male rodents lacks clinical relevance to elderly populations and especially to women, likely as a result of sex differences. Nevertheless, because of the neuronal damage and epileptogenic insult that these models trigger, they are helpful tools in studying acquired epilepsy and prophylactic drug therapy. © 2016 Wiley Periodicals, Inc.
Trends and variability in extremes of precipitation in Curitiba – Southern Brazil
Authors: Pedron Isabel Tamara , Silva Dias Maria A. F. , de Paula Dias Sandra , Carvalho Leila M. V. , Freitas Edmilson D.
Published: July 2016

Based on the daily rainfall data since 1889 in Curitiba, one of the largest cities in southern Brazil, a trend towards increased precipitation and more intense rainfall can be seen. The annual and seasonal volume of rainfall has increased, amounts greater than 10, 20 and 40 mm being observed more often, but with a reduction in the number of rainy days and the number of days with rainfall below 10 mm. Seasonal 95th percentile series have increased in summer, fall and winter. In addition, several indices of climate extremes presented significant increasing trends: monthly maximum 1‐day precipitation, annual total precipitation greater than 95th and 99th percentiles, number of consecutive dry days and the daily intensity index. Generalized extreme value (GEV) distribution function parameters also indicated higher occurrence of extremes detected by the increase in both the scale parameter σ and the location parameter μ in summer, fall and winter. The return time for severe rainfall declined in the second half of the period compared to the first, indicating more frequent occurrence of future extreme events. The main climate indices affecting the 95th percentile series were sea surface temperature (SST), South Atlantic Convergence Zone (SACZ) and Southern Oscillation Index (SOI) during spring, and Atlantic Multi‐decadal Oscillation (AMO), Large‐Scale Index for South America Monsoon (LISAM) and SOI during the summer, which explained variability of the extremes at around 20 and 13%, respectively in each season. Regarding the variability of summer, fall and spring total rainfall, they presented values around 20% for the explained variance due to climate indices. Other factors should be investigated to explain the variability such as urbanization, air pollution and local circulations. Dominant oscillation periods in the time series constructed with one monthly extreme appeared at 3 to 8‐year (inter‐annual) cycles, with 12 years (decadal) and around 30–64 years on the inter‐decadal scale. These oscillations have resonance with SOI, SACZ and Southern Annular Mode (SAM) indices (high frequencies), and Pacific Decadal Oscillation (PDO) and AMO (low frequency).
The European Institute for Innovation through Health Data
Authors: Kalra D. , Stroetmann V. , Sundgren M. , Dupont D. , Schlünder I. , Thienpont G. , Coorevits P. , De Moor G.
Published: July 2016

The European Institute for Innovation through Health Data (i~HD, www.i‐hd.eu) has been formed as one of the key sustainable entities arising from the Electronic Health Records for Clinical Research (IMI‐JU‐115189) and SemanticHealthNet (FP7‐288408) projects, in collaboration with several other European projects and initiatives supported by the European Commission. i~HD is a European not‐for‐profit body, registered in Belgium through Royal Assent. i~HD has been established to tackle areas of challenge in the successful scaling up of innovations that critically rely on high‐quality and interoperable health data. It will specifically address obstacles and opportunities to using health data by collating, developing, and promoting best practices in information governance and in semantic interoperability. It will help to sustain and propagate the results of health information and communication technology (ICT) research that enables better use of health data, assessing and optimizing their novel value wherever possible. i~HD has been formed after wide consultation and engagement of many stakeholders to develop methods, solutions, and services that can help to maximize the value obtained by all stakeholders from health data. It will support innovations in health maintenance, health care delivery, and knowledge discovery while ensuring compliance with all legal prerequisites, especially regarding the insurance of patient's privacy protection. It is bringing multiple stakeholder groups together so as to ensure that future solutions serve their collective needs and can be readily adopted affordably and at scale.
Intraoperative Raman spectroscopy of soft tissue sarcomas
Authors: Nguyen John Q. , Gowani Zain S. , O'Connor Maggie , Pence Isaac J. , Nguyen The‐Quyen , Holt Ginger E. , Schwartz Herbert S. , Halpern Jennifer L. , Mahadevan‐Jansen Anita
Published: July 2016

Background and Objective

Soft tissue sarcomas (STS) are a rare and heterogeneous group of malignant tumors that are often treated through surgical resection. Current intraoperative margin assessment methods are limited and highlight the need for an improved approach with respect to time and specificity. Here we investigate the potential of near‐infrared Raman spectroscopy for the intraoperative differentiation of STS from surrounding normal tissue.

Materials and Methods

In vivo Raman measurements at 785 nm excitation were intraoperatively acquired from subjects undergoing STS resection using a probe based spectroscopy system. A multivariate classification algorithm was developed in order to automatically identify spectral features that can be used to differentiate STS from the surrounding normal muscle and fat. The classification algorithm was subsequently tested using leave‐one‐subject‐out cross‐validation.

Results

With the exclusion of well‐differentiated liposarcomas, the algorithm was able to classify STS from the surrounding normal muscle and fat with a sensitivity and specificity of 89.5% and 96.4%, respectively.

Conclusion

These results suggest that single point near‐infrared Raman spectroscopy could be utilized as a rapid and non‐destructive surgical guidance tool for identifying abnormal tissue margins in need of further excision. Lasers Surg. Med. 48:774–781, 2016. © 2016 Wiley Periodicals, Inc.
Filtrations of generalized Veltman models
Authors: Perkov Tin , Vuković Mladen
Published: July 2016

The filtration method is often used to prove the finite model property of modal logics. We adapt this technique to the generalized Veltman semantics for interpretability logics. In order to preserve the defining properties of generalized Veltman models, we use bisimulations to define adequate filtrations. We give an alternative proof of the finite model property of interpretability logic with respect to Veltman models, and we prove the finite model property of the systems and with respect to generalized Veltman models.
Use of Integrated Computational Approaches in the Search for New Therapeutic Agents
Authors: Persico Marco , Di Dato Antonio , Orteca Nausicaa , Cimino Paola , Novellino Ettore , Fattorusso Caterina
Published: July 2016

Computer‐aided drug discovery plays a strategic role in the development of new potential therapeutic agents. Nevertheless, the modeling of biological systems still represents a challenge for computational chemists and at present a single computational method able to face such challenge is not available. This prompted us, as computational medicinal chemists, to develop in‐house methodologies by mixing various bioinformatics and computational tools. Importantly, thanks to multi‐disciplinary collaborations, our computational studies were integrated and validated by experimental data in an iterative process. In this review, we describe some recent applications of such integrated approaches and how they were successfully applied in i) the search of new allosteric inhibitors of protein‐protein interactions and ii) the development of new redox‐active antimalarials from natural leads.
Visualization Based Data Mining for Comparison Between Two Solar Cell Libraries
Authors: Yosipof Abraham , Kaspi Omer , Majhi Koushik , Senderowitz Hanoch
Published: July 2016

Material informatics may provide meaningful insights and powerful predictions for the development of new and efficient Metal Oxide (MO) based solar cells. The main objective of this paper is to establish the usefulness of data reduction and visualization methods for analyzing data sets emerging from multiple all‐MOs solar cell libraries. For this purpose, two libraries, TiO2|Co3O4 and TiO2|Co3O4|MoO3, differing only by the presence of a MoO3 layer in the latter were analyzed with Principal Component Analysis and Self‐Organizing Maps. Both analyses suggest that the addition of the MoO3 layer to the TiO2|Co3O4 library has affected the overall photovoltaic (PV) activity profile of the solar cells making the two libraries clearly distinguishable from one another. Furthermore, while MoO3 had an overall favorable effect on PV parameters, a sub‐population of cells was identified which were either indifferent to its presence or even demonstrated a reduction in several parameters.
A one‐dimensional computational model for hyperelastic string structures with Coulomb friction
Authors: Shiryaev Vladimir , Orlik Julia
Published: July 2016

In this paper, we consider a new model for the simulation of textiles with frictional contact between fibers and no bending resistance. In the model, one‐dimensional hyperelasticity and the Capstan equation are combined, and its connection with conventional hyperelasticity and Coulomb friction models is shown. Then, the model is formulated as a problem with the rate‐independent dissipation, and we prove that the problem possesses proper convexity and continuity properties. The article concludes with a numerical algorithm and provides numerical experiments along with a comparison of the results with a real measurement. Copyright © 2016 John Wiley & Sons, Ltd.