bluuebunny/crossref_metadata_2025 huggingface dataset:
Ceapins inhibit ATF6α signaling by selectively preventing transport of ATF6α to the Golgi apparatus during ER stress
Authors: Gallagher Ciara M , Walter Peter
Published: July 2016

The membrane-bound transcription factor ATF6α is activated by proteolysis during endoplasmic reticulum (ER) stress. ATF6α target genes encode foldases, chaperones, and lipid biosynthesis enzymes that increase protein-folding capacity in response to demand. The off-state of ATF6α is maintained by its spatial separation in the ER from Golgi-resident proteases that activate it. ER stress induces trafficking of ATF6α. We discovered Ceapins, a class of pyrazole amides, as selective inhibitors of ATF6α signaling that do not inhibit the Golgi proteases or other UPR branches. We show that Ceapins block ATF6α signaling by trapping it in ER-resident foci that are excluded from ER exit sites. Removing the requirement for trafficking by pharmacological elimination of the spatial separation of the ER and Golgi apparatus restored cleavage of ATF6α in the presence of Ceapins. Washout of Ceapins resensitized ATF6α to ER stress. These results suggest that trafficking of ATF6α is regulated by its oligomeric state.
Travel fosters tool use in wild chimpanzees
Authors: Gruber Thibaud , Zuberbühler Klaus , Neumann Christof
Published: July 2016

Ecological variation influences the appearance and maintenance of tool use in animals, either due to necessity or opportunity, but little is known about the relative importance of these two factors. Here, we combined long-term behavioural data on feeding and travelling with six years of field experiments in a wild chimpanzee community. In the experiments, subjects engaged with natural logs, which contained energetically valuable honey that was only accessible through tool use. Engagement with the experiment was highest after periods of low fruit availability involving more travel between food patches, while instances of actual tool-using were significantly influenced by prior travel effort only. Additionally, combining data from the main chimpanzee study communities across Africa supported this result, insofar as groups with larger travel efforts had larger tool repertoires. Travel thus appears to foster tool use in wild chimpanzees and may also have been a driving force in early hominin technological evolution.
Asymmetric oceanic response to a hurricane: Deep water observations during Hurricane Isaac
Authors: Spencer Laura J. , DiMarco Steven F. , Wang Zhankun , Kuehl Joseph J. , Brooks David A.
Published: July 2016

The eye of Hurricane Isaac passed through the center of an array of six deep water water‐column current meter moorings deployed in the northern Gulf of Mexico. The trajectory of the hurricane provided for a unique opportunity to quantify differences in the full water‐column oceanic response to a hurricane to the left and right of the hurricane trajectory. Prior to the storm passage, relative vorticity on the right side of the hurricane was strongly negative, while on the left, relative vorticity was positive. This resulted in an asymmetry in the near‐inertial frequencies oceanic response at depth and horizontally. A shift in the response to a slightly larger inertial frequencies ∼1.11f was observed and verified by theory. Additionally, the storm passage coincided with an asymmetric change in relative vorticity in the upper 1000 m, which persisted for ∼15 inertial periods. Vertical propagation of inertial energy was estimated at 29 m/d, while horizontal propagation at this frequency was approximately 5.7 km/d. Wavelet analysis showed two distinct subinertial responses, one with a period of 2–5 days and another with a period of 5–12 days. Analysis of the subinertial bands reveals that the spatial and temporal scales are shorter and less persistent than the near‐inertial variance. As the array is geographically located near the site of the Deep Water Horizon oil spill, the spatial and temporal scales of response have significant implications for the fate, transport, and distribution of hydrocarbons following a deep water spill event.
The changing shape of Northern Hemisphere summer temperature distributions
Authors: McKinnon Karen A. , Rhines Andrew , Tingley Martin P. , Huybers Peter
Published: July 2016

The occurrence of recent summer temperature extremes in the midlatitudes has raised questions about whether and how the distributions of summer temperature are changing. While it is clear that in most regions the average temperature is increasing, there is less consensus regarding the presence or nature of changes in the shape of the distributions, which can influence the probability of extreme events. Using data from over 4000 weather stations in the Global Historical Climatology Network‐Daily database, we quantify the changes in daily maximum and minimum temperature distributions for peak summer in the Northern Hemisphere midlatitudes during 1980–2015 using quantile regression. A large majority (87–88%) of the trends across percentiles and stations can be explained by a shift of the distributions with no change in shape. The remaining variability is summarized through projections onto orthogonal basis functions that are closely related to changes in variance, skewness, and kurtosis. North America and Eurasia show significant shifts in the estimated distributions of daily maximum and minimum temperatures. Although no general change in summer variance is found, variance has regionally increased in Eurasia and decreased in most of North America. Changes in shape that project onto the skewness and kurtosis basis functions have a much smaller spatial scale and are generally insignificant.
Liquid‐vapor phase relations in the Si‐O system: A calorically constrained van der Waals‐type model
Authors: Connolly James A. D.
Published: July 2016

This work explores the use of several van der Waals (vW)‐type equations of state (EoS) for predicting vaporous phase relations and speciation in the Si‐O system, with emphasis on the azeotropic boiling curve of SiO2‐rich liquid. Comparison with the observed Rb and Hg boiling curves demonstrates that prediction accuracy is improved if the a‐parameter of the EoS, which characterizes vW forces, is constrained by ambient pressure heat capacities. All EoS considered accurately reproduce metal boiling curve trajectories, but absent knowledge of the true critical compressibility factor, critical temperatures remain uncertain by ~500 K. The EoS plausibly represent the termination of the azeotropic boiling curve of silica‐rich liquid by a critical point across which the dominant Si oxidation state changes abruptly from the tetravalent state characteristic of the liquid to the divalent state characteristic of the vapor. The azeotropic composition diverges from silica toward metal‐rich compositions with increasing temperature. Consequently, silica boiling is divariant and atmospheric loss after a giant impact would enrich residual silicate liquids in reduced silicon. Two major sources of uncertainty in the boiling curve prediction are the heat capacity of silica liquid, which may decay during depolymerization from the near‐Dulong‐Petit limit heat capacity of the ionic liquid to value characteristic of the molecular liquid, and the unknown liquid affinity of silicon monoxide. Extremal scenarios for these uncertainties yield critical temperatures and compositions of 5200–6200 K and Si1.1O2–Si1.4O2. The lowest critical temperatures are marginally consistent with shock experiments and are therefore considered more probable.
Design and optimization of a microwave irradiated and resonant continuous biochemical reactor
Authors: Fanti A. , Casu S. , Desogus F. , Djuric N. , Mazzarella G.
Published: July 2016

The design of a microwave irradiated enzyme (biochemical) reactor is here presented. It consists of a suitable higher‐order mode resonant cavity which contains several tubes where the solution containing reagents and products flow in the laminar flow regime. The process evolution under irradiation has then been simulated using the COMSOL multiphysics environment. As an example, the enzymatic hydrolysis reaction of sucrose has been considered. The results of the multiphysics simulation show that such a reactor can be used to effectively perform the reaction process in the optimal conditions for maximizing the reaction rate and preventing the enzyme deactivation by a precise knowledge of the temperature distribution and its strict control.
Propulsion Systems
Authors: Economou John T , Savvaris A
Published: July 2016

Since the first attempt of a manned powered flight in 1903 by the Wright brothers it took until October 1918 to develop the first guided UAV called the Kettering Bug in the United States. Since then there have been many attempts to improve UAV propulsion systems and therefore improve the UAV physical footprint. For example, the PD‐100 Black Hornet PRS or Personal Reconnaissance System is one of the latest developments in service (2013) with impressive capabilities all packaged with a mass less than 18 g. Propulsion and electrification of UAVs have significantly improved during the last century, thus contributing toward these impressive technological developments. This chapter is focused on discussing the propulsion systems and supporting technologies and their associated key milestone developments.
Coordination with Manned Aircraft and Air Traffic Control
Authors: Marshall Douglas M.
Published: July 2016

The relatively recent introduction of unmanned aircraft systems (UAS, or “drones”) into the global aviation market has taken regulators, air traffic management organizations, and civil aviation professionals by surprise. The unique nature of the operations and potential uses of unmanned systems, which are derivative of their small sizes, extraordinary maneuverability, and unprecedented capability to perform tasks that manned aviation cannot duplicate, has placed increased burdens on airspace management strategies, policies, and technology. As the civil aviation community tries to adapt to this disruptive and potentially destructive technology, new paradigms in the ingrained and well‐tested methodology of integrating all types of aviation traffic into a seamless and safe system must be explored. Need for onboard and ground‐based surveillance equipment, autonomous “sense‐and‐avoid” sensor devices, new classes of airspace, UAS‐specific operational limitations, revised pilot qualifications, international harmonization of regulations, and regulatory responses to rapidly evolving technology is but a few of the ever‐changing challenges facing air traffic control organizations, airlines, commercial aviation operations, and private pilots. And perhaps the greatest threat to the safety of the users of the aviation system is the millions of small drones that have been sold over the last 2 years to nonaviators.
High Altitude: Among and Above Commercial Transport
Authors: Rabe Matthew R. , Abel Brandon R. , Hansman R. John
Published: July 2016

Unmanned aircraft systems (UAS) have seen increased use in military operations, which has required limited operations in the US National Airspace System (NAS). This experience provides insight into requirements for more widespread UAS operations among or above the typical US commercial transport altitudes. Transiting uncontrolled airspace during climb out or descent is a significant challenge for medium to high altitude UAS. This chapter summarizes the requirements associated with high‐altitude UAS operations and discusses some of the challenges that need to be addressed as UAS continue to integrate in the US NAS. These challenges include sense‐and‐avoid requirements, lost‐link operations, divert/contingency points and flight termination points, mission differences, and weather limitations.
Unmanned Aircraft Systems (
UAS
) – Regulatory Policy and Processes: A Moving Landscape – A US Perspective
Authors: Salvano Daniel P.
Published: July 2016

The Unmanned Aerial Vehicle (UAV) has been in use for over a century but the pressure, by civil operators and manufacturers, to integrate Unmanned Aircraft Systems (UAS) into the National Airspace (NAS) has increased dramatically during the past 2 decades. This article describes current and future UAS civil regulatory policy and processes and the issues that have made their development such a slow and deliberative process. The article will clarify the differences and similarities between a drone, UAV, UAS, and remotely piloted vehicle (RPV). The article does not go into how these types of vehicles are operated today and how those operations made change with new regulations and policies. That discussion can be found in Operational Profiles of Unmanned Aircraft Systems in the Context of the United States Regulatory Regime.
UASReliability and Risk Analysis
Authors: Lum Christopher W. , Tsukada Dai A.
Published: July 2016

In order to achieve safe and successful operation of unmanned aerial systems (UAS), one must have a thorough understanding of the reliability of the system as well as the risks involved with its operation. This chapter describes a model and methodology to assess and estimate the risk associated with a given UAS mission. Motivations for risk analysis as well as risk factors associated with UAS operation are also described. The risk model estimates threats to human safety that result from midair collisions and ground strikes. This framework aims to assist in determining applications that leverage the strengths of current unmanned aircraft technology while mitigating the weaknesses to meet or exceed the safety of manned aircraft. The intended use of the proposed risk framework is discussed and risk assessments are presented for several example scenarios.
Magnetic Mesoporous Nanocarriers for Drug Delivery with Improved Therapeutic Efficacy
Authors: Serrà Albert , Gimeno Núria , Gómez Elvira , Mora Margarita , Sagristá Maria Lluïsa , Vallés Elisa
Published: July 2016

Mesoporous CoNi@Au core@shell nanorods are synthesized as magnetic drug nanocarriers by electrodeposition using ionic liquid‐in‐aqueous microemulsions. Mesoporous nanorods present a highly effective area (186 m2 g−1) and magnetic character that allows their manipulation, concentration, and retention by applying a magnetic field. The nanorods have been functionalized with thiol‐poly(ethyleneglycol) molecules, and molecules of Irinotecan, a drug used in chemotherapy, are retained in both the lattice of the linked thiol‐poly(ethyleneglycol) molecules and inside the interconnected nanorods pores. The nanorods' mesoporous character allows a high drug‐loading capability and magnetic behavior that allows the drug's controlled release. A high cellular viability of HeLa cells is obtained after their incubation with the nanorods functionalized with thiol‐poly(ethyleneglycol). However, when the nanorods function as carriers for Irinotecan, significant cell death is occurred when HeLa cells are incubated with the functionalized, drug‐loaded nanorods. Cell death is also produced by applying an alternating magnetic field due to both the effect of the release of Irinotecan from the carrier as to mechanical damage of cells by nanorods subjected to the effect of a magnetic field. The proposal to used mesoporous magnetic nanorods as drug carriers can thus dramatically reduce the amounts of both nanocarrier and drug needed to efficiently destroy cancer cells.
The Role of Local Triplet Excited States and D‐A Relative Orientation in Thermally Activated Delayed Fluorescence: Photophysics and Devices
Authors: Dias Fernando B. , Santos Jose , Graves David R. , Data Przemyslaw , Nobuyasu Roberto S. , Fox Mark A. , Batsanov Andrei S. , Palmeira Tiago , Berberan‐Santos Mário N. , Bryce Martin R. , Monkman Andrew P.
Published: July 2016

Here, a comprehensive photophysical investigation of a the emitter molecule DPTZ‐DBTO2, showing thermally activated delayed fluorescence (TADF), with near‐orthogonal electron donor (D) and acceptor (A) units is reported. It is shown that DPTZ‐DBTO2 has minimal singlet–triplet energy splitting due to its near‐rigid molecular geometry. However, the electronic coupling between the local triplet (3LE) and the charge transfer states, singlet and triplet, (1CT, 3CT), and the effect of dynamic rocking of the D–A units about the orthogonal geometry are crucial for efficient TADF to be achieved. In solvents with low polarity, the guest emissive singlet 1CT state couples directly to the near‐degenerate 3LE, efficiently harvesting the triplet states by a spin orbit coupling charge transfer mechanism (SOCT). However, in solvents with higher polarity the emissive CT state in DPTZ‐DBTO2 shifts below (the static) 3LE, leading to decreased TADF efficiencies. The relatively large energy difference between the 1CT and 3LE states and the extremely low efficiency of the 1CT to 3CT hyperfine coupling is responsible for the reduction in TADF efficiency. Both the electronic coupling between 1CT and 3LE, and the (dynamic) orientation of the D–A units are thus critical elements that dictate reverse intersystem crossing processes and thus high efficiency in TADF.
FDNY and 9/11: Clinical services and health outcomes in World Trade Center‐exposed firefighters and EMS workers from 2001 to 2016
Authors: Yip Jennifer , Webber Mayris P. , Zeig‐Owens Rachel , Vossbrinck Madeline , Singh Ankura , Kelly Kerry , Prezant David J.
Published: July 2016

Background

After the World Trade Center (WTC) attacks on September 11, 2001, the Fire Department of the City of New York (FDNY) instituted a WTC medical monitoring and treatment program and established a data center to document health outcomes in the WTC‐exposed workforce of ∼16,000 firefighters and EMS workers.

Methods

FDNY schedules routine monitoring exams every 12–18 months and physical and mental health treatment appointments, as required.

Results

FDNY research studies have consistently found that early arrival to work and/or prolonged work at the WTC‐site increased the risks for adverse physical and mental health outcomes. To date, a substantial proportion has been diagnosed with obstructive airways disease, chronic rhinosinusitis, and gastroesophageal reflux disease; a quarter has two or more of these conditions.

Conclusions

While much has been learned, the entire spectrum and trajectory of WTC‐related disorders and their mechanisms of onset and persistence remain to be fully described. Am. J. Ind. Med. 59:695–708, 2016. © 2016 Wiley Periodicals, Inc.
Brief Report: Altered Innate Lymphoid Cell Subsets in Human Lymph Node Biopsy Specimens Obtained During the At‐Risk and Earliest Phases of Rheumatoid Arthritis
Authors: Rodríguez‐Carrio Javier , Hähnlein Janine S. , Ramwadhdoebe Tamara H. , Semmelink Johanna F. , Choi Ivy Y. , van Lienden Krijn P. , Maas Mario , Gerlag Danielle M. , Tak Paul P. , Geijtenbeek Teunis B. H. , van Baarsen Lisa G. M.
Published: July 2016

Objective

Innate lymphoid cells (ILCs) are emerging mediators of immunity, and accumulation of inflammatory ILC populations can occur in inflammatory‐mediated conditions. Since early lymph node (LN) activation has been shown in rheumatoid arthritis (RA), we aimed to investigate the frequency and distribution of ILCs in LN biopsy specimens obtained during the earliest phases of RA.

Methods

Twelve patients with early RA, 12 individuals with IgM rheumatoid factor and/or anti–citrullinated protein antibodies without arthritis (RA risk group), and 7 healthy controls underwent ultrasound‐guided inguinal LN biopsy. ILC subsets and the expression of vascular cell adhesion molecule (VCAM) and intercellular adhesion molecule (ICAM) by LN endothelial cells and fibroblasts were analyzed by flow cytometry.

Results

Although no differences in the frequencies of total ILCs (Lin−CD45+/lowCD127+) were found, the distribution of the ILC subpopulations differed among groups. RA patients showed lower numbers of lymphoid tissue–inducer (LTi) cells (c‐Kit+NKp44− ILCs) and increased ILC1 (c‐Kit−NKp44− ILCs) and ILC3 (c‐Kit+NKp44+ ILCs) numbers compared with controls (P < 0.001, P < 0.050, and P < 0.050, respectively). Individuals at risk of RA exhibited an increased frequency of ILC1 compared with controls (P < 0.01). LTi cells paralleled the expression of adhesion molecules on endothelial cells and fibroblasts.

Conclusion

Our findings indicate that during the at‐risk and earliest phases of RA, the ILC distribution in LN changes from a homeostatic profile toward a more inflammatory profile, thereby providing evidence of a role for ILCs in RA pathogenesis.
Measuring the impact of the flipped anatomy classroom: The importance of categorizing an assessment by Bloom's taxonomy
Authors: Morton David A. , Colbert‐Getz Jorie M.
Published: July 2016

The flipped classroom (FC) model has emerged as an innovative solution to improve student‐centered learning. However, studies measuring student performance of material in the FC relative to the lecture classroom (LC) have shown mixed results. An aim of this study was to determine if the disparity in results of prior research is due to level of cognition (low or high) needed to perform well on the outcome, or course assessment. This study tested the hypothesis that (1) students in a FC would perform better than students in a LC on an assessment requiring higher cognition and (2) there would be no difference in performance for an assessment requiring lower cognition. To test this hypothesis the performance of 28 multiple choice anatomy items that were part of a final examination were compared between two classes of first year medical students at the University of Utah School of Medicine. Items were categorized as requiring knowledge (low cognition), application, or analysis (high cognition). Thirty hours of anatomy content was delivered in LC format to 101 students in 2013 and in FC format to 104 students in 2014. Mann Whitney tests indicated FC students performed better than LC students on analysis items, U = 4243.00, P = 0.030, r = 0.19, but there were no differences in performance between FC and LC students for knowledge, U = 5002.00, P = 0.720 or application, U = 4990.00, P = 0.700, items. The FC may benefit retention when students are expected to analyze material. Anat Sci Educ 10: 170–175. © 2016 American Association of Anatomists.
Biomineralization of Versatile CuS/Gd2O3 Hybrid Nanoparticles for MR Imaging and Antitumor Photothermal Chemotherapy
Authors: Zhao Huai‐Xin , Wang Hong , Zou Quan , Sun Shao‐Kai , Yu Chunshui , Zhang Xuejun , Fu Yan‐Yan
Published: July 2016

The versatile application of nanoparticles in integrating imaging and therapy has aroused extensive research interest in precision medicine. Of the various nanoparticles that have been studied, CuS has shown great potential in the construction of multifunctional agents, owing to its excellent photothermal heating properties. Herein, we report a facile one‐pot biomineralization approach for the preparation of versatile bovine‐serum‐albumin‐conjugated CuS/Gd2O3 hybrid nanoparticles (BSA−CuS/Gd2O3 HNPs), which simultaneously possessed strong longitudinal relaxivity, an outstanding photothermal effect, high drug‐loading capacity, and pH/temperature‐responsive drug release. The versatile nanoparticles were used for magnetic resonance imaging (MRI) and antitumor photothermal chemotherapy, both in vitro and in vivo. In vivo MRI showed that the BSA−CuS/Gd2O3 HNPs had a long circulation time and effective passive tumor‐uptake ability. More importantly, combined in vitro and in vivo therapy demonstrated that drug‐loaded BSA−CuS/Gd2O3 HNPs offered outstanding synergistic therapeutic efficacy for tumor inhibition.
Toward a fundamental understanding of cellulase‐lignin interactions in the whole slurry enzymatic saccharification process
Authors: Liu Hao , Sun Jianliang , Leu Shao‐Yuan , Chen Shicheng
Published: July 2016

Lignocellulosic biomass is a promising feedstock for sustainable production of non‐food building‐block sugars. This bioconversion process is preferentially carried out through the whole slurry enzymatic saccharification of the pre‐treated lignocellulosic substrates. However, dissolved lignin, residual lignin, and lignin‐derived phenolic molecules in the pre‐treated biomass slurry can all trigger the decrease in activity and stability of cellulases, as well as the unfavorable enzyme recyclability. The hydrolyzing efficiencies can be considerably hindered by the lignin‐induced non‐productive binding of cellulases through various mechanisms. Three major non‐covalent forces, i.e., hydrophobic, electrostatic, and hydrogen bonds interactions, can occur between the amino acid residues in cellulases and the functional groups in lignin. Various strategies such as enzyme engineering, substrate modification, additive blocking have been intensively developed to minimize the cellulase‐lignin interactions. To investigate the impacts and benefits of different mechanisms and processes, this paper provides a systematic overview of the current opinions about the non‐productive binding of cellulase to lignin. Through better understanding of their interactions it is our hope that the enzyme binding groups in lignin could be properly quenched by using new pre‐treatment methods and/or biochemical processing strategies to increase the efficiency of cellulose bioconversion. © 2016 Society of Chemical Industry and John Wiley & Sons, Ltd
Computational design of model scaffold for anion recognition based on the ‘CαNN’ motif
Authors: Sheet Tridip , Ghosh Suvankar , Pal Debnath , Banerjee Raja
Published: July 2016

The ‘novel phosphate binding ‘CαNN’ motif’, consisting of three consecutive amino acid residues, usually occurs in the protein loop regions preceding a helix. Recent computational and complementary biophysical experiments on a series of chimeric peptides containing the naturally occurring ‘CαNN' motif at the N‐terminus of a designed helix establishes that the motif segment recognizes the anion (sulfate and phosphate ions) through local interaction along with extension of the helical conformation which is thermodynamically favored even in a context‐free, nonproteinaceous isolated system. However, the strength of the interaction depends on the amino acid sequence/conformation of the motif. Such a locally‐mediated recognition of anions validates its intrinsic affinity towards anions and confirms that the affinity for recognition of anions is embedded within the ‘local sequence’ of the motif. Based on the knowledge gathered on the sequence/structural aspects of the naturally occurring ‘CαNN' segment, which provides the guideline for rationally engineering model scaffolds, we have modeled a series of templates and investigated their interactions with anions using computational approach. Two of these designed scaffolds show more efficient anion recognition than those of the naturally occurring ‘CαNN' motif which have been studied. This may provide an avenue in designing better anion receptors suitable for various biochemical applications.
Toward “homolactic” fermentation of glucose and xylose by engineered Saccharomyces cerevisiae harboring a kinetically efficient l‐lactate dehydrogenase within pdc1‐pdc5 deletion background
Authors: Novy Vera , Brunner Bernd , Müller Gerdt , Nidetzky Bernd
Published: July 2016

l‐Lactic acid is an important platform chemical and its production from the lignocellulosic sugars glucose and xylose is, therefore, of high interest. Tolerance to low pH and a generally high robustness make Saccharomyces cerevisiae a promising host for l‐lactic acid fermentation but strain development for effective utilization of both sugars is an unsolved problem. The herein used S. cerevisiae strain IBB10B05 incorporates a NADH‐dependent pathway for oxidoreductive xylose assimilation within CEN.PK113‐7D background and was additionally evolved for accelerated xylose‐to‐ethanol fermentation. Selecting the Plasmodium falciparum l‐lactate dehydrogenase (pfLDH) for its high kinetic efficiency, strain IBB14LA1 was derived from IBB10B05 by placing the pfldh gene at the pdc1 locus under control of the pdc1 promotor. Strain IBB14LA1_5 additionally had the pdc5 gene disrupted. With both strains, continued l‐lactic acid formation from glucose or xylose, each at 50 g/L, necessitated stabilization of pH. Using calcium carbonate (11 g/L), anaerobic shaken bottle fermentations at pH ≥ 5 resulted in l‐lactic acid yields (YLA) of 0.67 g/g glucose and 0.80 g/g xylose for strain IBB14LA1_5. Only little xylitol was formed (≤0.08 g/g) and no ethanol. In pH stabilized aerobic conversions of glucose, strain IBB14LA1_5 further showed excellent l‐lactic acid productivities (1.8 g/L/h) without losses in YLA (0.69 g/g glucose). In strain IBB14LA1, the YLA was lower (≤0.18 g/g glucose; ≤0.27 g/g xylose) due to ethanol as well as xylitol formation. Therefore, this study shows that a S. cerevisiae strain originally optimized for xylose‐to‐ethanol fermentation was useful to implement l‐lactic acid production from glucose and xylose; and with the metabolic engineering strategy applied, advance toward homolactic fermentation of both sugars was made. Biotechnol. Bioeng. 2017;114: 163–171. © 2016 Wiley Periodicals, Inc.
Design and validation of a parallelized micro‐photobioreactor enabling phototrophic bioprocess development at elevated throughput
Authors: Morschett Holger , Schiprowski Danny , Müller Carsten , Mertens Kolja , Felden Pamela , Meyer Jörg , Wiechert Wolfgang , Oldiges Marco
Published: July 2016

Microalgae offer great potential for the industrial production of numerous compounds, but most of the currently available processes fail on economic aspects. Due to the lack of appropriate microcultivation systems, especially screening and early stage laboratory process characterization limit throughput in process development. Consequently, a demand for high throughput photobioreactors has recently been identified upon which some prototype systems emerged. However, compared to microbial microbioreactors, the systems so far introduced suffer from at least one of several drawbacks, that is, inhomogeneous conditions, poor mixing or excessive evaporation. In this context, a microtiter plate based micro‐photobioreactor was developed enabling 48‐fold parallelized cultivation. Strict control of the process conditions enabled a high comparability between the distinct wells of one plate (±5% fluctuation in biomass formation). The small scale, resulting in a beneficial surface to volume ratio, as well as the fast mixing due to rigorous orbital shaking, ensured an excellent light supply of the cultures. Moreover, non‐invasive online biomass quantification was implemented via a scattered light analyzer that is capable of biomass measurements during continuous illumination of the cultures. The system was shown to be especially qualified for parallelized laboratory screening applications like for instance media optimization. Easy automation via integration into a liquid handling platform is given by design. Thereby, the presented micro‐photobioreactor system significantly contributes to improving the time efficiency during the development of phototrophic bioprocesses. Biotechnol. Bioeng. 2017;114: 122–131. © 2016 Wiley Periodicals, Inc.
Understand risks of using behavior contracts as misconduct sanctions
Authors: Masinter Michael R.
Published: July 2016

Dealing with disability‐related disruptive conduct is one of the harder problems schools face. In the K–12 system, behavior contracts are one common solution.
Isolation and biological characterization of a novel type of pulmonary mesenchymal stem cells derived from Wuzhishan miniature pig embryo
Authors: Ma Caiyun , Guo Yu , Liu Hao , Wang Kunfu , Yang Jinjuan , Li Xiangchen , Liu Changqing , Guan Weijun
Published: July 2016

Pulmonary mesenchymal stem cells (PMSCs) have great potential in lung tissue engineering and represent attractive candidates for disease treatment in human and veterinary research. However, a reliable method for isolation and localization of porcine PMSCs in situ is still uncertain. In this study, we successfully isolated PMSCs from Wuzhishan miniature pig embryos in vitro and also attempted to unravel its fundamental differentiation potential and biological characteristics. The isolated PMSCs, which could be cultured and passaged for at least 15 passages, exhibited a typical fibroblast‐like morphology and high proliferative potential. Moreover, the PMSCs could express pluripotent marker genes (Oct4 and Nanog) and MSCs‐related surface antigens (β‐integrin, CD44, CD71, CD73, CD90, and CD105), while the expressions of CD34 and CD45 were negative. Cell cycle examination showed that the rate of G0/G1 was about 72.1–90.2%. Additionally, the PMSCs not only could be induced to transdifferentiate into mesoblastic cells such as osteoblasts, chondrocytes, and adipocytes in vitro, but also the neural ectoderm and endoderm. Together, these data demonstrate the multiple differentiations potential of PMSCs in vitro, which confers potential use in serving as desirable cell types for lung injury regeneration.
Laparoscopic gastric band removal complicated by splenosis
Authors: Nicolas Gregory , Schoucair Ramy , Shimlati Rasha , Rached Linda , Khoury George
Published: July 2016

Key Clinical Message

In any patient, the occurrence of postsplenectomy splenosis can complicate the planning of further surgeries. In our case, the gastric sleeve procedure was aborted, as it would have put the patient's life in danger. Therefore, only the gastric band was removed, eliminating future erosion.
Distribution and Speciation of Selenium, Antimony, and Arsenic in Soils and Sediments Around the Area of Xikuangshan (China)
Authors: Yang Hailin , He Mengchang
Published: July 2016

Selenium (Se), antimony (Sb), and arsenic (As) throughout the world naturally or anthropogenically in the environment are of great concern. In this study, the distribution and speciation of Se, Sb, and As in four types of environmental matrices (paddy soils, dry‐land soils, soil profiles, and sediments) from an antimony mine area were investigated. Significant correlations between the total Se and Sb and As contents were observed, which, in association with the geochemical fractions and species, may help predict the distribution and availability of these metalloids in mining/smelting‐impacted soils and sediments. The maximum Se, Sb, and As concentrations were found in the sediments, where a significant decrease in the soluble and exchangeable fractions and an increase in the residual fraction were observed with an increasing distance from the river's headstream. In the environment, Se, Sb, and As are commonly present as either Se(IV), Se(VI), Sb(III), Sb(V), As(III), or As(V). These inorganic forms of Se, Sb, and As, as well as methylated forms, are subject to various biogeochemical processes with natural components, such as organic matter and mineral phases. Because of the toxicity and persistency of metalloids, a better understanding of Se, Sb, and As speciation is crucial for predicting and protecting environmental health.
Worsening renal function and outcome in heart failure patients with reduced and preserved ejection fraction and the impact of angiotensin receptor blocker treatment: data from the CHARM‐study programme
Authors: Damman Kevin , Solomon Scott D. , Pfeffer Marc A. , Swedberg Karl , Yusuf Salim , Young James B. , Rouleau Jean L. , Granger Christopher B. , McMurray John J.V.
Published: July 2016

Aims

We investigated the association between worsening renal function (WRF) that occurs during renin–angiotensin–aldosterone system inhibition initation and outcome in heart failure (HF) patients with preserved ejection fraction (HFPEF) and compared this with HF patients with reduced ejection fraction (HFREF).

Methods and results

We examined changes in estimated glomerular filtration rate (GFR) and the relationship between WRF (defined as ≥26.5 µmol/L and ≥25% increase in serum creatinine from baseline to 6 weeks) and outcome, according to randomized treatment, in patients with HFREF (EF <45%; n = 1569) and HFPEF (EF ≥45%; n = 836) in the CHARM programme. The primary outcome was cardiovascular death or HF hospitalization. Estimated GFR decreased 9.0 ± 21 vs. 4.0 ± 21 mL/min/1.73 m2 with candesartan and placebo, respectively, and this was similar in HFREF and HFPEF. WRF developed more frequently with candesartan, 16% vs. 7%, P < 0.001, with similar findings in patients with HFREF and HFPEF. WRF was associated with a higher risk of the primary outcome: multivariable hazard ratio (HR) 1.26, 95% confidence interval 1.03–1.54, P = 0.022, in both treatment groups, and in both HFREF and HFPEF (P for interaction 0.98). In HFREF, WRF was mostly related to HF hospitalization, while in HFPEF, WRF seemed more associated with mortality.

Conclusions

GFR decreased more and WRF was more common with candesartan compared with placebo, and this was similar in HFREF and HFPEF. WRF was associated with worse outcomes in HFREF and HFPEF. Although no formal interaction was present, the association between candesartan treatment, WRF, and type of clinical outcome was slightly different between HFREF and HFPEF.
Synthesis, Characterization, and Catalytic Application of Mononuclear and Dendritic Cationic CuI Iminopyridine‐Ligated Complexes in Aryl Iodide Hydroxylation
Authors: Mketo Nomvano , Jordaan Johan H. L. , Jordaan Anine , Swarts Andrew J. , Mapolie Selwyn F.
Published: July 2016

A series of mononuclear (C1–C4) and dendritic G1 (DC1–DC4) and G2 (DC5–DC8) cationic CuI iminopyridine complexes of the general formula [Cu{(R‐C5H3N)CH=N(nPr)‐κ2‐N,N}2][BF4] (C1: R = 6‐Me; C2: R = H; C3: R = 6‐Br; C4: R = C4H3) and [DAB‐Gx‐PPI‐(Cu{(R‐C5H3N)‐κ2‐N,N}y)z][BF4]n [DAB: 1,4‐diaminobutane; PPI: poly(propyleneimine); for G1: x = 1, y = 4, z = 2, n = 2; for G2: x = 2, y = 8, z = 4, n = 4; DC1/DC5: R = 6‐Me; DC2/DC6: R = H; DC3/DC7: R = 6‐Br; DC4/DC8: R = C4H3] have been prepared and characterized by a range of spectroscopic and analytical techniques. The mononuclear and dendritic complexes were found to be active catalysts for the hydroxylation of 4‐iodotoluene to p‐cresol in DMSO/H2O mixtures. A positive dendritic effect on catalytic activity was observed. Furthermore, our catalyst system was found to be active for the hydroxylation of 4‐iodotoluene in neat water. The active catalyst could be recycled twice before catalyst deactivation was observed. HRTEM analysis revealed that catalyst deactivation arose as a result of metal agglomeration. A series of poisoning experiments provided evidence for the mediation of hydroxylation by a homogeneous active species for both classes of pre‐catalysts, and a radical‐trapping experiment in combination with our experimental observations provided evidence that the reaction proceeds through a similar mechanism to that reported for Cu‐catalyzed halide exchange.
Bonding Analysis in Homo‐ and Hetero‐Trihalide Species: A Charge Displacement Study
Authors: Ciancaleoni Gianluca , Arca Massimiliano , Caramori Giovanni F. , Frenking Gernot , Schneider Felipe S. S. , Lippolis Vito
Published: July 2016

The bonding in homo‐ (X3–) and hetero‐trihalides (XYX–), with X = F, Cl, Br, and I; Y = I, has been analyzed through the charge displacement (CD) method, coupled with energy decomposition analysis (EDA). We focus our attention on how the different bond components vary with the distance between the terminal and the central halogen atoms. The results clearly show that all the homo‐halide systems X3– feature the same trend of the charge transfer (CT) versus the asymmetry of the three‐body system, defined as the ratio between the two bond lengths dX1–X2 and dX2–X3, whereas in the case of the hetero‐trihalides BrIBr– and ClICl–, the CT values are similar, but systematically lower with respect to the homo‐trihalide case. Comparison with solid‐state geometries also allows us to estimate the influence of the crystal lattice (the packing and the interactions with the surrounding fragments) on the geometry. Following the results reported here, the CD method is confirmed to be a useful alternative computational tool to analyze the nature and the origin of weak intermolecular interactions such as halogen and hydrogen bonding.
Multi‐Readout Logic Gate for the Selective Detection of Metal Ions at the Parts Per Billion Level
Authors: Laschuk Nadia O. , Ebralidze Iraklii I. , Spasyuk Denis , Zenkina Olena V.
Published: July 2016

Optical sensors utilizing visual responses for the identification of metal ions require reliable molecular systems able to operate selectively in multicomponent solutions. Herein, we report a water‐soluble terpyridyl‐based ligand that demonstrates effective quantification of parts per billion to parts per million levels of Fe2+, Fe3+, Zn2+, and Ru3+. Whereas the Fe3+ and Ru3+ ions were found to bind to the ligand to form a monometallic complex, a 2:1 ligand/metal binding stoichiometry was found for the Zn2+ and Fe2+ complexes. The corresponding metal‐binding events were directly translated into distinct colorimetric and spectroscopic logic outputs. Applying molecular logic (Boolean logic operations) to describe these binding events, selective discrimination between the ions was demonstrated.
Effects of Angular Deformation on the Energetics of the SN2 Reaction
Authors: de Paul N. Nziko Vincent , Scheiner Steve
Published: July 2016

Quantum calculations are applied to a number of model SN2 reactions. The halides F–, Cl–, and Br– were allowed to attack the central C atom of a set of CH2RI molecules, with R = H, CH3, CH=CH2, C≡CH, and C≡N. For each system the X···C···I angle was distorted in set increments from the optimized value and the activation energy computed for each angle. The energy of the transition state rose in conjunction with this deformation. However, the distortion energy of the initial X–···CH2RI reaction complex was similar in magnitude. As a result, the activation energy of the reaction was quite insensitive to angular deformation.
A modeling approach to compare ΣPCB concentrations between congener-specific analyses
Authors: Gibson Polly P , Mills Marc A , Kraus Johanna M , Walters David M
Published: July 2016

Changes in analytical methods over time pose problems for assessing long-term trends in environmental contamination by PCBs. Congener-specific analyses vary widely in the number and identity of the 209 distinct PCB chemical configurations (congeners) that are quantified, leading to inconsistencies among summed PCB concentrations (ΣPCB) reported by different studies. Here, we present a modeling approach using linear regression to compare ΣPCB concentrations derived from different congener-specific analyses measuring different co-eluting groups. The approach can be used to develop a specific conversion model between any 2 sets of congener-specific analytical data from similar samples (similar matrix and geographic origin). We demonstrate the method by developing a conversion model for an example data set that includes data from 2 different analytical methods, a low resolution method quantifying 119 congeners and a high resolution method quantifying all 209 congeners. We used the model to show that the 119-congener set captured most (93%) of the total PCB concentration (i.e., Σ209PCB) in sediment and biological samples. ΣPCB concentrations estimated using the model closely matched measured values (mean relative percent difference = 9.6). General applications of the modeling approach include 1) generating comparable ΣPCB concentrations for samples that were analyzed for different congener sets; and 2) estimating the proportional contribution of different congener sets to ΣPCB. This approach may be especially valuable for enabling comparison of long-term remediation monitoring results even as analytical methods change over time. Integr Environ Assess Manag 2017;13:227–232. Published 2016. This article is a U.S. Government work and is in the public domain in the USA.

Key Points

Inconsistency in the number and identity of congeners quantified during congener-specific analysis of environmental samples for PCBs impedes comparison of reported PCB contamination levels over time as analytical methods change. We describe a general method for comparing PCB concentrations derived from different congener-specific analyses by modeling total PCB concentration as a function of the concentration of a subset of congeners in common to both analyses. Applications of the model approach include 1) generating comparable ΣPCB concentrations for samples analyzed for different congener sets, and 2) estimating the proportional contribution of different congener sets to ΣPCB.
Biogeochemical controls on methylmercury in soils and sediments: Implications for site management
Authors: Bigham Gary N , Murray Karen J , Masue-Slowey Yoko , Henry Elizabeth A
Published: July 2016

Management of Hg-contaminated sites poses particular challenges because methylmercury (MeHg), a potent bio-accumulative neurotoxin, is formed in the environment, and concentrations are not generally predictable based solely on total Hg (THg) concentrations. In this review, we examine the state of knowledge regarding the chemical, biological, and physical controls on MeHg production and identify those most critical for contaminated site assessment and management. We provide a list of parameters to assess Hg-contaminated soils and sediments with regard to their potential to be a source of MeHg to biota and therefore a risk to humans and ecological receptors. Because some measurable geochemical parameters (e.g., DOC) can have opposing effects on Hg methylation, we recommend focusing first on factors that describe the potential for Hg bio-accumulation: site characteristics, Hg and MeHg concentrations, Hg availability, and microbial activity, where practical. At some sites, more detailed assessment of biogeochemistry may be required to develop a conceptual site model for remedial decision making. Integr Environ Assess Manag 2017;13:249–263. © 2016 SETAC

Key Points

Because of the complex interaction of multiple geochemical, biological, and physical parameters, no single parameter can reliably predict the likelihood of Hg methylation and bioaccumulation or the concentration of methylmercury (MeHg) in the environment. Site managers should focus on a limited number of parameters that have the greatest likelihood of characterizing the sediment as a potential source of MeHg. Sediment total Hg (THg) and MeHg concentrations alone will not provide all the information needed to plan site remediation, but are a valuable starting point.
Stability of functionalized corannulene cations [R‐C20H10]+: An influence of the nature of R‐Group
Authors: Li Jingbai , da Silva Ramos Giovana , Yu Rogachev Andrey
Published: July 2016

The first comprehensive theoretical study of stability of hub‐functionalized corannulene cations [R‐C20H10]+ as the function of the nature of R‐group was accomplished. The initial set of linear alkyl R‐group of different length (R=(CH2)nCH3, n = 0–9) was augmented by groups which form stable organic cations, such as tert‐butyl, isopropyl, allyl, and phenyl. Investigation of relative stability (with bonding energy as the measure) was accompanied by detailed study of changes in aromaticity using a large set of descriptors, as well as by the evaluation of energetics of possible migration of R‐group from the hub‐site to the spoke‐position. Decrease in stability of functionalized corannulene cations with lengthening of R‐group and/or replacing it with branched alkyl group was found to be the general trend. At the same time, π‐conjugated groups such as allyl or phenyl ones, stabilize the system. All methods/approaches applied unambiguously indicated that the actual stability of the hub‐functionalized corannulene cations is indeed a multi faceted phenomenon. Important contributions come from different interplay between attractive (ΔEorb vs. ΔEelstat) and repulsive (ΔEPauli) components of the bonding, from changes in aromatic behavior of rings in polyaromatic fragment, and from activation barrier for the process of migration of R‐group. © 2016 Wiley Periodicals, Inc.