bluuebunny/crossref_metadata_2025 huggingface dataset:
Room‐Temperature Phosphorescence in Pure Organic Materials: Halogen Bonding Switching Effects
Authors: Xiao Lu , Wu Yishi , Yu Zhenyi , Xu Zhenzhen , Li Jinbiao , Liu Yanping , Yao Jiannian , Fu Hongbing
Published: December 2017

Organic room‐temperature phosphorescence (ORTP), when combined with external stimuli‐responsive capability, is very attractive for sensors and bio‐imaging devices, but remains challenging. Herein, by doping two β‐iminoenamine‐BF2 derivatives (S‐2CN and S‐2I) into a 4‐iodoaniline (I−Ph−NH2) crystalline matrix, the formation of S‐2CN⋅⋅⋅I−Ph−NH2 and S‐2I⋅⋅⋅I−Ph−NH2 halogen bonds leads to bright‐red RTP emissions from these two host–guest doped crystals (hgDCs) with quantum efficiencies up to 13.43 % and 15.96 %, respectively. Upon treatment with HCl, the competition of I−Ph−NH2⋅HCl formation against S‐2I⋅⋅⋅I−Ph−NH2 halogen bonding switches off the red RTP from S‐2I/I−Ph−NH2 hgDCs, whereas the stable halogen‐bonded S‐2CN⋅⋅⋅I−Ph−NH2 ensures red RTP from S‐2CN/I−Ph−NH2 hgDCs remains unchanged. A security protection luminescence pattern by using these different HCl‐responsive RTP behaviors was designed.
Synthesis of Nanostructured Mat as Flexible Electrode for Advanced Lithium Ion Batteries Via Electrospinning
Authors: Liu Jifei , Dai Jianfeng , Wang Qing , Li Weixue
Published: December 2017

The ions transport channel like network structure is build between active materials, due to its unique low dimensional properties. Microstructure indicates that the tiny LiFePO4 nanoparticles with average size of ≈7–9 nm embedded in the amorphous carbon matrix. When the LiFePO4‐CNFs is directly applied as flexible cathode electrode for lithium‐ion battery, which has high initial discharge capacity of 134 mAh g−1 at 0.5 C (1C = 170 mAh g−1) rate and stability cycling performance after 300 cycles. Further electrochemistry investigation reveals that the flexible one‐dimentional structure of CNFs enable it to release the mechanical deformation resulting from lithium ion insert and extract the electrodes, which resulted in a superior diffusion coefficient of lithium ions up to 2.4 × 10−12 cm2 s−1.
Reinforcing the Holistic Perspective of Sustainability: Analysis of the Importance of Sustainability Drivers in Organizations
Authors: Lozano Rodrigo , von Haartman Robin
Published: December 2017

Although several sustainability drivers have been recognized for different organizations, there has been limited research on analyzing which are considered to be the most important. A survey was sent to more than 1,502 organizations, of which 108 completed all the questions. The survey responses were analyzed using descriptive statistics, rankings in order of importance, comparison between types of organizations, and analyses of the interlinkages between drivers. This paper provides depth to the sustainability drivers’ discussion by: (1) expanding it to the three types of organizations; (2) providing the importance of each driver; (3) offering a ranking of the drivers; (4) analyzing the relations between drivers to categorize them; and (5) assessing the relations between the drivers’ categories. This research highlights the importance of recognizing the drivers that have the highest importance and influence for each type of organization, in order to foster them and make organizations more sustainable. Copyright © 2017 John Wiley & Sons, Ltd and ERP Environment
Starbon/High‐Amylose Corn Starch‐Supported N‐Heterocyclic Carbene–Iron(III) Catalyst for Conversion of Fructose into 5‐Hydroxymethylfurfural
Authors: Matharu Avtar S. , Ahmed Suleiman , Almonthery Badriya , Macquarrie Duncan J. , Lee Yoon‐Sik , Kim Yohan
Published: December 2017

Iron–N‐heterocyclic carbene complexes (Fe‐NHCs) have come to prominence because of their applicability in diverse catalytic reactions, ranging from C−C cross‐coupling and C−X bond formation to substitution, reduction, polymerization, and dehydration reactions. The detailed synthesis, characterization, and application of novel heterogeneous Fe‐NHC catalysts immobilized on mesoporous expanded high‐amylose corn starch (HACS) and Starbon 350 (S350) for facile fructose conversion into 5‐hydroxymethylfurfural (HMF) is reported. Both catalyst types showed good performance for the dehydration of fructose to HMF when the reaction was tested at 100 °C with varying time (10 min, 20 min, 0.5 h, 1 h, 3 h and 6 h). For Fe‐NHC/S350, the highest HMF yield was 81.7 % (t=0.5 h), with a TOF of 169 h−1, fructose conversion of 95 %, and HMF selectivity of 85.7 %, whereas for Fe‐NHC/expanded HACS, the highest yield was 86 % (t=0.5 h), with a TOF of 206 h−1, fructose conversion of 87 %, and HMF selectivity of 99 %. Iron loadings of 0.26 and 0.30 mmol g−1 were achieved for Fe‐NHC/expanded starch and Fe‐NHC/S350, respectively.
Transfer function‐matched capacitor‐current sensing and its circuit implementation for high‐frequency power converters
Authors: Lu Weiguo , Yan Shidong , Yang Yidi , Fang Huimin
Published: December 2017

It would effectively achieve a fast load transient response in switching‐mode power converters when introducing capacitor current into the feedback control loop. In these schemes, an accurate and rapid sensing of capacitor current is crucial in the control circuit design. On this issue, a paralleled nonintrusive sensing scheme for capacitor current is proposed in this paper, which is implemented by matching the transfer functions of the sensing circuit and the sensed capacitor branch. With the proposed transfer function matching approach, 4 possible circuit topologies are derived in theory, and on this basis, a parameter design flow chart is given for 2 of candidate topologies. With the application of the proposed capacitor‐current sensing circuit to a constant‐frequency hysteresis controlled Buck converter, a fast and accurate sensing of capacitor current is achieved in experiment, as well as a fast load transient response.
Optical reflectivity based on the effective interaction potentials of xenon plasma
Authors: Shalenov E.O. , Rosmej S. , Reinholz H. , Röpke G. , Dzhumagulova K.N. , Ramazanov T.S.
Published: December 2017

New results on the reflectivity and Brewster angle of dense xenon plasmas based on of the effective interaction potentials (which take into account static and dynamic screening effects) at pressures of 1.6–20 GPa and temperatures of ∼30,000 K are presented. Using Fresnel formulas, the reflectivity coefficients for the s‐ and p‐polarized laser waves are investigated. The influence of atoms, which was taken into account at the level of collision frequency via an effective interaction potential, is proven to be crucial for understanding the reflection process.
Non‐linear screening and phase states of a complex plasma
Authors: Martynova I.A. , Iosilevskiy I.L. , Shagayda A.A.
Published: December 2017

The applicability limit of the well‐known phase diagram of complex plasmas in the κ–Γ plane (κ is the structural parameter, Γ is the coupling parameter) is under discussion. The present work is devoted to the analysis of the range of applicability of a basic assumption in the initial phase diagram, that is, linearized (Debye) screening of macro‐ions by micro‐ions, which leads to the Yukawa form of effective interactions between macro‐ions. Parameters of non‐linear screening for macro‐ions were calculated within the direct Poisson–Boltzmann approximation in an averaged Wigner–Seitz cell. Two effects were revealed as a result of such calculations: (a) decomposition of all micro‐ions into two subclasses, free and bound ones, and (b) significant reduction of the effective charge Z* of initial bare macro‐ion Z under non‐linear screening by the small high‐density envelope of bound micro‐ions. This effect leads to a re‐normalization of initial Γ and κ into Γ* and κ* (Γ* < Γ, κ* < κ). It is assumed that the phase states of a complex plasma under non‐linear screening are still the same as in the initial phase diagram, but in κ*–Γ* plane instead of the κ–Γ one. The corresponding calculated shifts of the phase states are discussed and illustrated.
Ion potential in non‐ideal dense quantum plasmas
Authors: Moldabekov Zh.A. , Groth S. , Dornheim T. , Bonitz M. , Ramazanov T.S.
Published: December 2017

The screened ion potential in non‐ideal dense quantum plasmas is investigated by invoking the Singwi–Tosi–Land–Sjölander approximation for the electronic local field correction at densities rs ≲ 2 and degeneracy parameters θ ≲ 1, where rs is the ratio of the mean inter‐particle distance to the first Bohr radius, and θ is the ratio of the thermal energy to the Fermi energy of the electrons. Various cross‐checks with ion potentials obtained from ground‐state quantum Monte Carlo data, the random phase approximation, and with existing analytical models are presented. Furthermore, the importance of the electronic correlation effects for the dynamics in strongly coupled ionic subsystems for 0.1 ≤ rs ≤ 2 is discussed.
Periodic ground states of the electron gas in two and three dimensions
Authors: Bernu B. , Delyon F. , Baguet Lucas , Holzmann Markus
Published: December 2017

In this paper, we review the possibility of periodic ground states of the two‐ and three‐dimensional electron gas at high and intermediate densities. At the Hartree–Fock level, we obtain explicit solutions at all densities having lower energies than the homogeneous Fermi gas. In the high‐density region, the electrons only partially fill up the band approaching spin density waves as predicted by Overhauser. Preliminary variational Monte Carlo calculations on the polarized two‐dimensional electron gas confirm the existence of these new types of ground states.
Size, growth, and density data for shallow‐water sea urchins from Mexico to the Aleutian Islands, Alaska, 1956–2016
Authors: Ebert Thomas A. , Barr Louis M. , Bodkin James L. , Burcham Dirk , Bureau Dominique , Carson Henry S. , L. Caruso Nancy , Caselle Jennifer E. , Claisse Jeremy T. , Clemente Sabrina , Davis Kathryn , Detwiler Paul M. , Dixon John D. , Duggins David O. , Engle John M. , Estes James A. , Groth Scott D. , Grupe Benjamin M. , Halmay Peter , Hebert Kyle P. , Hernández José C. , Jurgens Laura J. , Kalvass Peter E. , Kenner Michael C. , Konar Brenda , Kushner David J. , Lee Lynn C. , Leighton David L. , Montaño‐Moctezuma Gabriela , Eric Munk J. , Olguin Irma , Palleiro Julio S. , Parker David O. , Pearse John S. , Pondella Daniel J. , Rogers‐Bennett Laura , Schroeter Stephen C. , Shelton Andrew Olaf , Sonnenholzner Jorge , Taniguchi Ian K. , VanBlaricom Glenn R. , Watson Jane C. , Weitzman Benjamin P. , Williams Jonathan P. , Yakimishyn Jennifer , Zhang Zane
Published: December 2017

Size, growth, and density have been studied for North American Pacific coast sea urchins Strongylocentrotus purpuratus, S. droebachiensis, S. polyacanthus, Mesocentrotus (Strongylocentrotus) franciscanus, Lytechinus pictus, Centrostephanus coronatus, and Arbacia stellata by various workers at diverse sites and for varying lengths of time from 1956 to present. Numerous peer‐reviewed publications have used some of these data but some data have appeared only in graduate theses or the gray literature. There also are data that have never appeared outside original data sheets. Motivation for studies has included fisheries management and environmental monitoring of sewer and power plant outfalls as well as changes associated with disease epidemics. Studies also have focused on kelp restoration, community effects of sea otters, basic sea urchin biology, and monitoring. The data sets presented here are a historical record of size, density, and growth for a common group of marine invertebrates in intertidal and nearshore environments that can be used to test hypotheses concerning future changes associated with fisheries practices, shifts of predator distributions, climate and ecosystem changes, and ocean acidification along the Pacific Coast of North America and islands of the north Pacific. No copyright restrictions apply. Please credit this paper when using the data.
Predator‐prey interactions cause apparent competition between marine zooplankton groups
Authors: Stige Leif Christian , Kvile Kristina Ø. , Bogstad Bjarte , Langangen Øystein
Published: December 2017

Predator‐mediated apparent competition is an indirect negative interaction between two prey species mediated by a shared predator. Quantifying such indirect ecosystem effects is methodologically challenging but important for understanding ecosystem functioning. Still, there are few examples of apparent competition from pelagic marine environments. Using state‐space statistical modeling, we here provide evidence for apparent competition between two dominant zooplankton groups in a large marine ecosystem, i.e., krill and copepods in the Barents Sea. This effect is mediated by a positive association between krill biomass and survival of the main planktivorous fish in the Barents Sea, capelin Mallotus villosus, and a negative association between capelin and copepod biomasses. The biomass of Atlantic krill species is expected to increase in the Barents Sea due to ongoing climate change, thereby potentially negatively affecting copepods through apparent competition. By demonstrating and quantifying apparent competition in a large marine ecosystem, our study paves the way for more realistic projections of indirect ecosystem effects of climate change and harvesting.
Collaborative Governance for Climate Change Adaptation: Mapping citizen–municipality interactions
Authors: Brink Ebba , Wamsler Christine
Published: December 2017

Increasing climate change impacts are a major threat to sustainable urban development, and challenge current governance structures, including actors' responsibilities for dealing with climate variability and extremes. The need for distributed risk governance and citizen engagement is increasingly recognised; however, few empirical studies systematically assess interactions between citizens and municipalities in climate risk management and adaptation. Here, we develop an explorative framework, applied to three Swedish municipalities, to map existing ‘adaptation interactions’ and analyse how responsibilities for climate adaptation manifest and are (re)negotiated. The results show that adaptation planners rarely consider collaborations with citizens, despite positive adaptation outcomes from related local processes. Structures and mechanisms for systematic monitoring and learning are also lacking. We argue that fostering collaborations with citizens – to support long‐term adaptation and reduce the adaptation burden of those most at risk – requires consideration of four strategic issues: proactive engagement; equity and ‘responsibilisation’; nature‐based approaches; and systematic adaptation mainstreaming. Finally, we discuss how our analytical framework can contribute to further theorising municipalities' engagement with citizens on climate risk. © 2017 The Authors. Environmental Policy and Governance published by ERP Environment and John Wiley & Sons Ltd
A biopsychosocial understanding of lower back pain: Content analysis of online information
Authors: Black N.M. , Sullivan S.J. , Mani R.
Published: December 2017

Objectives

(1) To develop a checklist to assess the representation of biopsychosocial lower back pain (LBP) online information; (2) to analyse publicly accessed online LBP information from a Google search for the degree that psychosocial contributors are described alongside the traditional biomedical approach to explaining LBP; (3) whether websites use information on pain biology to educate on LBP; (4) any inaccurate or false information regarding the mechanisms of LBP and; (5) the amount of websites certified by established benchmarks for quality health information.

Materials and methods

An online search was conducted using the Google search engines of six major English‐speaking countries. Website content was analysed using three checklists developed for the purpose of this study – Biopsychosocial information categorisation checklist and scoring criteria; pain biology information checklist; and the inaccurate information checklist. Website quality was identified by the presence of an Health on the Net certification (HONcode).

Results

Of the fifteen websites analysed, the content of 26.7% of websites was classified as ‘biomedical’, 60% ‘limited psychosocial’ and 13.3% ‘reasonable psychosocial’; 20% included information on pain biology; 46.7% inaccurately implied pain to be equal to tissue damage and 46.7% implied pathways specific to pain transmission; 40% were HONcode certified.

Conclusion

Online LBP information retrieved through a Google search has limited to no integration of psychosocial or pain biology information. The focus on tissue pathology is further supported by the inaccurate descriptions of pain as equal to tissue damage and as an input to the central nervous system (CNS). Online LBP information needs to be guided by criteria more sensitive to the psychosocial contributors to pain.

Significance

The online LBP information retrieved from a Google search needs to be guided by information more sensitive to the psychosocial contributors to pain and disability. This study also highlights the presence of inaccurate information that implied pain as a measure of tissue damage or as an input to the nervous system.
Synthesis and Application of Polypyrrole/Fe3O4 Nanosize Magnetic Adsorbent for Efficient Separation of Hg2+ from Aqueous Solution
Authors: Falahian Zohreh , Torki Firoozeh , Faghihian Hossein
Published: December 2017

In order to prepare the magnetic adsorbent, polymerization of pyrrole is performed in a mixture containing Fe3O4 and FeCl3. FTIR, XRD, SEM, EDAX, BET and VSM techniques are employed to characterize the synthesized adsorbent. The results indicate that a homogeneous film of polypyrrole is formed on the surface of magnetic material. The synthesized adsorbent uptakes 173.16 mg g−1 of Hg2+ from aqueous solution, which is superior to the previously reported results for a similar adsorbent. Magnetic performance of the adsorbent is sufficient to separate the used adsorbent from the solution by use of a magnetic bar placed outside of the vessel. Langmuir, Freundlich, Temkin, Redlich–Peterson, and Sips isotherm models are employed to evaluate the experimental adsorption data. The kinetic models are studied and the experimental data are described by the pseudo‐second‐order kinetic model. The calculated thermodynamic parameter shows that the sorption process is endothermic and spontaneous. Regeneration of the used adsorbent indicates that more than 90% of the initial capacity remains after regeneration.
Semantic Network Analysis Reveals Opposing Online Representations of the Search Term “GMO”
Authors: Jiang Ke , Anderton Brittany N. , Ronald Pamela C. , Barnett George A.
Published: December 2017

Making sound food and agriculture decisions is important for global society and the environment. Experts tend to view crop genetic engineering, a technology that can improve yields and minimize impacts on the environment, more favorably than the public. Because there is a causal relationship between public opinion and public policy, it is important to understand how opinions about genetically engineered (GE) crops are influenced. The public increasingly seeks science information on the Internet. Here, semantic network analysis is performed to characterize the presentation of the term “GMO (genetically modified organism),” a proxy for food developed from GE crops, on the web. Texts from three sources are analyzed: U.S. federal websites, top pages from a Google search, and online news titles. We found that the framing and sentiment (positive, neutral, or negative attitudes) of “GMO” varies across these sources. It is described how differences in the portrayal of GE food by each source might affect public opinion. A current understanding of the types of information individuals may encounter online can provide insight into public opinion toward GE food. In turn, this knowledge can guide teaching and communication efforts by the scientific community to promote informed decision‐making about agricultural biotechnologies.
Deficiency of cholesterol 7α‐hydroxylase in bile acid synthesis exacerbates alcohol‐induced liver injury in mice
Authors: Donepudi Ajay C. , Ferrell Jessica M. , Boehme Shannon , Choi Hueng‐Sik , Chiang John Y.L.
Published: December 2017

Alcoholic fatty liver disease (AFLD) is a major risk factor for cirrhosis‐associated liver diseases. Studies demonstrate that alcohol increases serum bile acids in humans and rodents. AFLD has been linked to cholestasis, although the physiologic relevance of increased bile acids in AFLD and the underlying mechanism of increasing the bile acid pool by alcohol feeding are still unclear. In this study, we used mouse models either deficient of or overexpressing cholesterol 7α‐hydroxylase (Cyp7a1), the rate‐limiting and key regulatory enzyme in bile acid synthesis, to study the effect of alcohol drinking in liver metabolism and inflammation. Mice were challenged with chronic ethanol feeding (10 days) plus a binge dose of alcohol by oral gavage (5 g/kg body weight). Alcohol feeding reduced bile acid synthesis gene expression but increased the bile acid pool size, hepatic triglycerides and cholesterol, and inflammation and injury in wild‐type mice and aggravated liver inflammation and injury in Cyp7a1‐deficient mice. Interestingly, alcohol‐induced hepatic inflammation and injury were ameliorated in Cyp7a1 transgenic mice. Conclusion: Alcohol feeding alters hepatic bile acid and cholesterol metabolism to cause liver inflammation and injury, while maintenance of bile acid and cholesterol homeostasis protect against alcohol‐induced hepatic inflammation and injury. Our findings indicate that CYP7A1 plays a key role in protection against alcohol‐induced steatohepatitis. (Hepatology Communications 2018;2:99–112)
Drug idiosyncrasy due to pirfenidone presenting as acute liver failure: Case report and mini‐review of the literature
Authors: Verma Nipun , Kumar Pramod , Mitra Suvradeep , Taneja Sunil , Dhooria Sahajal , Das Ashim , Duseja Ajay , Dhiman Radha Krishan , Chawla Yogesh
Published: December 2017

Idiosyncratic drug‐induced liver injury (DILI) is ranked among the top most common etiologies of acute liver failure (ALF). It carries poor transplant‐free survival. Pirfenidone is an anti‐inflammatory and antifibrotic drug that is commonly used for the treatment of idiopathic pulmonary fibrosis (IPF). Hepatotoxicity due to pirfenidone is rare and generally manifests as a mild rise in serum aminotransferases. In this mini‐review, we report an unusual case of idiosyncratic DILI due to pirfenidone presenting as ALF, with emphasis on the definition, classification, diagnostic criteria, histopathology, molecular markers, and treatment options for DILI and related ALF. A 77‐year‐old man with known Parkinson's disease and IPF presented with jaundice for 7 days and altered mental status for 4 days. His long‐term medications included a levodopa/carbidopa combination with a recent addition of pirfenidone over the previous 1 month; there was no monitoring of liver function tests. The evaluation suggested features of acute liver failure with grade III hepatic encephalopathy, acute kidney injury, and metabolic acidosis. The diagnostic workup ruled out viral, toxic, ischemic, and other etiologies for acute liver failure. Based on a Roussel Uclaf Causality Assessment Method score of 7 and possible DILI‐ALF, pirfenidone was withdrawn. He was evaluated for liver transplantation but was declined. Despite all supportive measures in intensive care, organ failure progressed and he succumbed to the illness on day 4. Postmortem liver biopsy revealed findings consistent with DILI (final Roussel Uclaf Causality Assessment score, 10). Conclusion: DILI‐ALF carries poor prognosis, and liver transplantation should be considered early in the course. Characterization, reporting, monitoring, and labeling of pirfenidone‐related hepatotoxicity is vital given its common use in IPF. (Hepatology Communications 2018;2:142–147)
Anonymous Group Message Authentication Protocol for LTE‐based V2X Communications
Authors: Liu Dongxiao , Ni Jianbing , Lin Xiaodong , Shen Xuemin (Sherman)
Published: December 2017

Cellular technologies, in particular the current long‐term evolution (LTE) and future 5G, are suitable for implementing vehicle‐to‐everything (V2X) services, due to the existing network infrastructure, device‐to‐device (D2D) communication capability, and guaranteed end‐to‐end delay. In LTE‐based V2X (LTE‐V), vehicle grouping plays an important role for improving LTE spectrum utilization and providing group‐oriented proximity‐based services (ProSe). However, the flourishing of LTE‐V group communications introduces unique privacy challenges. In this letter, the state‐of‐art standardization and research efforts are first reviewed, and their limitations are identified on achieving trajectory privacy for LTE‐V group communications. Then, an efficient and anonymous group message authentication protocol is proposed to support message batch verification. Security analysis and performance evaluation demonstrate the feasibility of the proposed protocol.
MicroRNA‐204 deregulation in lung adenocarcinoma controls the biological behaviors of endothelial cells potentially by modulating Janus kinase 2–signal transducer and activator of transcription 3 pathway
Authors: Liu Xiangdong , Gao Xiang , Zhang Wentao , Zhu Tianyi , Bi Wei , Zhang Yanrong
Published: December 2017

MicroRNAs (miRNAs) have been implicated in a wide range of biological processes including angiogenesis. MiR‐204 was identified as a tumor suppressor in multiple cancer types, including lung adenocarcinoma. However, the function of miR‐204 in lung tumor angiogenesis remains unknown. In this study, we found that the miR‐204 expression was decreased in lung adenocarcinoma based on the cancer genome atlas (TCGA) analysis and gain‐of‐function experiment showed that miR‐204 promoted cancer cell apoptosis and suppressed cell proliferation, migration in vitro and tumor growth in vivo. Functionally, both the tube formation and migration abilities of human umbilical vein endothelial cells (HUVECs) were suppressed by conditioned media from lung cancer A549 cells with miR‐204 overexpression. Meanwhile, these conditioned media inhibited proliferation and promoted apoptosis in HUVECs. The key angiogenesis inducer hypoxia inducible factor‐1α (HIF1α) and the pro‐angiogenic mediators vascular endothelial growth factor and platelet‐derived growth factor were decreased in A549 cells transfected with miR‐204 mimics. Mechanistically, miR‐204 could target Janus kinase 2 (JAK2) and further impaired signal transducer and activator of transcription 3 both in vitro and in vivo. Inhibition of JAK2 or signal transducer and activator of transcription 3 (STAT3) activity with small chemical inhibitors in A549 cells impaired lung adenocarcinoma angiogenesis in vitro. Meanwhile, conditional media from interleukin 6‐treated lung normal epithelial cells significantly promoted tube formation of HUVEC, which was disturbed by miR‐204 overexpression. Taken together, our findings demonstrate that miR‐204 attenuates angiogenesis in lung adenocarcinoma potentially via JAK2‐STAT3 pathway. Clinically, the miR‐204/JAK2/STAT3 signaling pathway is a putative therapeutic target in lung adenocarcinoma. © 2017 IUBMB Life, 70(1):81–91, 2018
Three‐dimensional cultured tissue constructs that imitate human living tissue organization for analysis of tumor cell invasion
Authors: Iwai Soichi , Kishimoto Satoko , Amano Yuto , Nishiguchi Akihiro , Matsusaki Michiya , Takeshita Akinori , Akashi Mitsuru
Published: December 2017

Preventing cancer metastasis requires a thorough understanding of cancer cell invasion. These phenomena occur in human 3‐D living tissues. To this end, we developed a human cell‐based three‐dimensional (3‐D) cultured tissue constructs that imitate in vivo human tissue organization. We investigated whether our 3‐D cell culture system can be used to analyze the invasion of human oral squamous cell carcinoma (OSCC) cells. The 3‐D tissue structure consisted of five layers of normal human dermal fibroblasts along with human dermal lymphatic endothelial cell tubes and was generated by the cell accumulation technique and layer‐by‐layer assembly using fibronectin and gelatin. OSCC cells with different lymph metastatic capacity were inoculated on the 3‐D tissues and their invasion through the 3‐D tissue structure was observed. Conventional methods of analyzing cell migration and invasion, that is, 2‐D culture‐based transwell and Matrigel assays were also used for comparison. The results using the 3‐D cultured tissue constructs were comparable to those obtained using conventional assays; moreover, use of the 3‐D system enabled visualization of differential invasion capacities of cancer cells. These results indicate that our 3‐D cultured tissue constructs can be a useful tool for analysis of cancer cell invasion in a setting that reflects the in vivo tissue organization. © 2018 The Authors. Journal of Biomedical Materials Research Part A published by Wiley Periodicals, Inc. J Biomed Mater Res Part A: 107A: 292–300, 2019.
pyEFP: Automatic decomposition of the complex molecular systems into rigid polarizable fragments
Authors: Odinokov Alexey V. , Dubinets Nikita O. , Bagaturyants Alexander A.
Published: December 2017

We present an open source tool able to describe intermolecular electrostatic interactions within the framework of the effective fragment potential (EFP) method. Complex molecular structure is subdivided into compact rigid fragments and parameters of their interactions are obtained from ab initio calculations. Automatic procedure allows for searching of these parameters into the existing database and merge new fragments into it. A set of standard fragments useful for the studies of organic semiconductors is also provided. Input files both for purely EFP and hybrid QM/MM calculations can be generated. The program is written in python and freely available on GitHub: https://github.com/ale-odinokov/pyEFP © 2017 Wiley Periodicals, Inc.
Pyrite: A blender plugin for visualizing molecular dynamics simulations using industry‐standard rendering techniques
Authors: Rajendiran Nivedita , Durrant Jacob D.
Published: December 2017

Molecular dynamics (MD) simulations provide critical insights into many biological mechanisms. Programs such as VMD, Chimera, and PyMOL can produce impressive simulation visualizations, but they lack many advanced rendering algorithms common in the film and video‐game industries. In contrast, the modeling program Blender includes such algorithms but cannot import MD‐simulation data. MD trajectories often require many gigabytes of memory/disk space, complicating Blender import. We present Pyrite, a Blender plugin that overcomes these limitations. Pyrite allows researchers to visualize MD simulations within Blender, with full access to Blender's cutting‐edge rendering techniques. We expect Pyrite‐generated images to appeal to students and non‐specialists alike. A copy of the plugin is available at http://durrantlab.com/pyrite/, released under the terms of the GNU General Public License Version 3. © 2017 Wiley Periodicals, Inc.
Effect of Study Design on Sample Size in Studies Intended to Evaluate Bioequivalence of Inhaled Short‐Acting β‐Agonist Formulations
Authors: Zeng Yaohui , Singh Sachinkumar , Wang Kai , Ahrens Richard C.
Published: December 2017

Pharmacodynamic studies that use methacholine challenge to assess bioequivalence of generic and innovator albuterol formulations are generally designed per published Food and Drug Administration guidance, with 3 reference doses and 1 test dose (3‐by‐1 design). These studies are challenging and expensive to conduct, typically requiring large sample sizes. We proposed 14 modified study designs as alternatives to the Food and Drug Administration–recommended 3‐by‐1 design, hypothesizing that adding reference and/or test doses would reduce sample size and cost. We used Monte Carlo simulation to estimate sample size. Simulation inputs were selected based on published studies and our own experience with this type of trial. We also estimated effects of these modified study designs on study cost. Most of these altered designs reduced sample size and cost relative to the 3‐by‐1 design, some decreasing cost by more than 40%. The most effective single study dose to add was 180 μg of test formulation, which resulted in an estimated 30% relative cost reduction. Adding a single test dose of 90 μg was less effective, producing only a 13% cost reduction. Adding a lone reference dose of either 180, 270, or 360 μg yielded little benefit (less than 10% cost reduction), whereas adding 720 μg resulted in a 19% cost reduction. Of the 14 study design modifications we evaluated, the most effective was addition of both a 90‐μg test dose and a 720‐μg reference dose (42% cost reduction). Combining a 180‐μg test dose and a 720‐μg reference dose produced an estimated 36% cost reduction.
Volatile fatty acids production from cheese whey: influence of pH, solid retention time and organic loading rate
Authors: Calero Rolando Rafael , Lagoa‐Costa Borja , Fernandez‐Feal María Mercedes del Coro , Kennes Christian , Veiga Maria Carmen
Published: December 2017

BACKGROUND

The influence of pH, sludge retention time (SRT) and organic loading rate (OLR) were evaluated in the fermentation of cheese whey to produce volatile fatty acids (VFA) in a sequencing batch reactor (SBR). The reactor performance was studied at SRT of 4, 6 and 10 days and the influence of pH (5, 5.5 and 6) was determined at each SRT. The OLR effect was also studied in the range 3 to 12 g COD L‐1 d‐1, while keeping the other parameters mentioned above constant.

RESULTS

A more acidic pH , improved the degree of acidification at short SRT (4 and 6 days), reaching 76 and 84%, respectively, meanwhile at pH 6 the degree of acidification (DA) improved and reached 85% at longer SRT (10 d). Regarding the VFA profile, a pH shift from 5 to 6 stimulated the production of acetic and propionic acids, whereas the production of butyric and valeric acids decreased irrespective of the SRT applied. Moreover, the increase of SRT from 4 to 10 d boosted propionic and valeric acids production regardless of the pH applied. Lower OLR favoured the production of propionic and valeric acids, while higher OLR increased the production of butyric acid. Lactose degradation and VFA production followed the Michaelis–Menten model.

CONCLUSION

A selective VFA distribution can be reached by modifying parameters such as pH, SRT and OLR in acidogenic reactors, therefore, they could be suitable for further valorisation purposes in the production of polyhydroxyalkanoates from such VFA. © 2017 Society of Chemical Industry
Characterization of polymer inclusion membranes (PIM) containing phosphonium ionic liquids and their application for separation of Zn(II) from Fe(III)
Authors: Baczyńska Monika , Słomka Żaneta , Rzelewska Martyna , Waszak Michał , Nowicki Marek , Regel‐Rosocka Magdalena
Published: December 2017

BACKGROUND

Hydrometallurgical separation of Zn(II) from Fe(III) from HCl solutions is an important issue to regenerate spent effluents. Polymer inclusion membranes (PIMs) are an attractive technique for selective separation and concentration of low concentrated target metal ions, as an alternative to liquid–liquid extraction.

RESULTS

PIMs containing phosphonium ionic liquids trihexyl(tetradecyl)phosphonium chloride (Cyphos IL101) or bis(2,4,4‐trimethylpentyl)phosphinate (Cyphos IL104), as metal ion carriers, o‐nitrophenyloctyl ether (NPOE) as a plasticizer and triacetate cellulose (CTA) as a polymer matrix were prepared and characterized by contact angle measurements, scanning electron microscopy, atomic force microscopy and nanoindentation measurements. An important aspect was to determine the influence of PIMs ageing on their morphology and efficiency of Zn(II) transport. Finally, PIMs were applied for separation of Zn(II) from Fe(III).

CONCLUSION

The surface of the IL‐containing PIMs was characterized as hydrophilic, rough, without apparent pores. However, phase contrast images indicated that the plasticized membranes were not fully homogeneous. Stability of the PIMs, particularly of those without the plasticizer or without the carrier, is affected by ageing. Finally, a membrane‐based successful separation of Zn(II) from Fe(III) was developed with 1 mol L‐1 HCl as a stripping phase for Fe(III), while the majority of Zn(II) were retained in the feed phase (SFe(III)/Zn(II) = 8.85). © 2017 Society of Chemical Industry
Potential of aqueous two‐phase systems for the separation of levodopa from similar biomolecules
Authors: Sousa Rita de Cássia S , Neves Catarina MSS , Pereira Matheus M , Freire Mara G , Coutinho João AP
Published: December 2017

BACKGROUND

Levodopa is a precursor of several neurotransmitters, such as dopamine, and is used in the treatment of Parkinson's disease. In this work, an alternative strategy was studied to separate levodopa from similar biomolecules using aqueous two‐phase systems (ATPS).

RESULTS

Ternary ATPS composed of polyethylene glycol (PEG) 400 or ionic liquids (ILs), citrate buffer (K3C6H5O7/C6H8O7) at pH 7.0 and water, and quaternary ATPS composed of PEG 400, K3C6H5O7/C6H8O7 at pH 7.0, water and the same ILs at 5 wt%, were studied. The respective liquid–liquid phase diagrams were determined at 298 K to appraise the mixture compositions required to form two‐phase systems, followed by studies of the partition of levodopa and structurally similar biomolecules (dopamine, L‐phenylalanine, and L‐tyrosine). Their partition coefficients and extraction efficiencies have been determined, and the selectivity of the ATPS to separate levodopa from the remaining biomolecules evaluated.

CONCLUSION

The results obtained indicated that PEG‐based ATPS were the most effective to separate levodopa from L‐phenylalanine while the separation from the other biomolecules was better using IL‐based ATPS, in particular those based on [P4444]Cl and [N4444]Cl, with extraction efficiencies of levodopa to the salt‐rich phase ranging between 62.7 and 74.0%, and of the remaining biomolecules to polymer/IL‐rich phase up to 91.5%. © 2017 Society of Chemical Industry
Enhanced production of carotenoids and lipids by Rhodococcus opacus PD630
Authors: Suwaleerat Tharatron , Thanapimmetha Anusith , Srisaiyoot Maythee , Chisti Yusuf , Srinophakun Penjit
Published: December 2017

BACKGROUND

Low‐value waste organics can be upgraded to higher‐value products using microorganisms. The bacterium Rhodococcus opacus PD630 was used to produce colorants (carotenoids) and lipids (potential fuel oils) from glycerol.

RESULTS

Submerged culture of R. opacus PD630 produced carotenoids and lipids on glycerol as the primary carbon source, although supplementation with glucose was necessary. A 1:1 mixture (50 g L‐1 each) of glucose and glycerol in a batch culture afforded a final biomass concentration of nearly 9.0 g L‐1, a carotenoids concentration of 0.75 mg L‐1 and a lipids concentration of nearly 2.2 g L‐1. Compared with using only glycerol (100 g L‐1) in the medium, the final biomass concentration was nearly 4‐fold greater, the carotenoids concentration was 7.5‐fold greater and the lipids concentration was 8.6‐fold greater when a 1:1 mixture of glucose and glycerol was used. A combination of glucose (70 g L‐1), glycerol (30 g L‐1) and ammonium acetate (4.32 g L‐1) further increased the final biomass concentration to nearly 10.2 g L‐1. With this formulation, the carotenoids concentration rose to 0.99 mg L‐1 and lipids concentration rose to nearly 2.4 g L‐1 in batch culture. A repeated fed‐batch operation with an optimal feeding regimen raised the final biomass concentration to 12.1 g L‐1. The final concentration of carotenoids was 0.7 mg L‐1 and the final lipids concentration was nearly 4.9 g L‐1.

CONCLUSION

Glycerol can partly displace the more expensive glucose in production of carotenoids and lipids from R. opacus PD630. Biomass with ∼40% lipids (dry basis) can be produced. © 2017 Society of Chemical Industry
Immune variation during pregnancy suggests immune component‐specific costs of reproduction in a viviparous snake with disparate life‐history strategies
Authors: Palacios Maria G. , Bronikowski Anne M.
Published: December 2017

Growing evidence suggests the existence of trade‐offs between immune function and reproduction in diverse taxa. Among vertebrates, however, there is still a taxonomic bias toward studies in endotherms, particularly birds. We tested the hypothesis that reproduction entails immune‐related costs in the viviparous garter snake, Thamnophis elegans, from populations that exhibit two life‐history strategies, termed ecotypes, with contrasting paces of life. Between the two ecotypes, we predicted lower immune function in gravid than non‐gravid females of both strategies, but with relatively larger immunity costs in the ecotype that generally invests more in current reproduction. Across individuals, we predicted greater immune costs for females investing more in the present specific reproductive event (i.e., higher fecundity) irrespective of their ecotype. We assessed leukocyte profiles and measured bactericidal capacity of plasma (innate immunity) and T‐ and B‐lymphocyte proliferation (adaptive immunity) in gravid and non‐gravid females in their natural habitats. We also collected data on reproductive output from these same gravid females brought into captivity. Gravid females of both ecotypes showed lower T‐lymphocyte proliferation responses to concanavalin A than non‐gravid females, but no differential costs were observed between ecotypes. The remaining immune variables did not vary between gravid and non‐gravid females. Among gravid females within each ecotype, those with larger reproductive output showed lower total leukocyte counts, suggesting a fecundity‐dependent trade‐off. Our study contributes to the comparative ecoimmunology of vertebrates by highlighting the immune component‐specificity of trade‐offs between reproduction and immune function and showing that costs can be fecundity‐dependent in some, but not all cases.
Blame game in private investigation reports: The case of Deloitte examination at Telenor VimpelCom
Authors: Gottschalk Petter
Published: December 2017

Business and public organisations hire fraud examiners to conduct private investigations when there is suspicion of misconduct or financial crime. Fraud examiners carry out their investigation based on a mandate. Often, individuals in the organisation are suspects. The blame game hypothesis is concerned with factors that cause blame attribution to some individuals but not to others. In this case study, only executives were blamed who had not disclosed corruption information to a major shareholder and to the chief executive officer.
To distinguish flexible and rigid lumbar curve from MRI texture analysis in adolescent idiopathic scoliosis: A feasibility study
Authors: Chevrefils Claudia , Périé Delphine , Parent Stefan , Cheriet Farida
Published: December 2017

Background

Imaging in side bending, supine, traction, fulcrum, and push prone are examples of methods used to evaluate the curve reduction of scoliotic spine. However, being able to determine spine curve flexibility from MRI would eliminate the need of additional X‐ray radiation related to radiograph acquisition in side‐bending.

Purpose/Hypothesis

To find specific texture features of lumbar postural muscles on MRI that can distinguish flexible from rigid lumbar scoliotic curves. We hypothesized that the changes occurring in postural muscles with scoliosis can be seen with MRI.

Study Type

Retrospective study case control.

Population

With Institutional Review Board approval and informed consent, 15 adolescents with idiopathic scoliosis and scheduled for surgery were involved.

Field Strength/Sequence

T1‐weighted MR images were performed on a 1.5T system using a spin echo sequence in the axial direction.

Assessment

The spinal erector, quadratus lumborum and psoas major muscles were analyzed using textural features.

Statistical Tests

Principal component analysis (PCA) and agglomerative hierarchical clustering (AHC) were used to classify the lumbar postural muscles and calculate performance metrics. The lumbar flexibility index, measured from suspension tests, was used as ground truth measurement.

Results

The five discriminant features (out of 34 tested features) obtained from PCA were able to keep over 90% of the variability of the dataset. The right and left spinal erector and the left psoas major had the highest performance metrics to classify the spinal curve flexibility, with an accuracy over 0.80, a sensitivity over 0.82, a specificity over 0.68, and a Matthews correlation coefficient over 0.57.

Data Conclusion

This study analyzed MRI using texture information of muscle to distinguish flexible from rigid scoliotic curves. Some postural muscle such as the spinal erector and the psoas major are more likely to reflect the curve flexibility of a scoliotic participant.

Level of Evidence: 2

Technical Efficacy: Stage 1

J. Magn. Reson. Imaging 2017.
Spatio‐temporal variability of daily precipitation concentration in Spain based on a high‐resolution gridded data set
Authors: Serrano‐Notivoli R. , Martín‐Vide J. , Saz M. A. , Longares L. A. , Beguería S. , Sarricolea P. , Meseguer‐Ruiz O. , de Luis M.
Published: December 2017

An analysis of the spatial and temporal variability of daily precipitation concentration (CI) in Spain was made based on a high‐resolution (5 × 5 km) daily gridded precipitation data set for the 1950–2012 period. For each grid point in the Iberian Peninsula (IP) and Balearic and Canary Islands, the average annual CI was computed, as well as its coefficient of variation and the 5th and 95th percentiles. Annual values were also computed, and the time series of the index were used to assess temporal trends over the whole period. The spatial distribution of the CI showed a strong relationship with the orographic barriers near the coastlines. The Canary Islands showed the highest values of CI, along with the eastern Mediterranean facade of the IP. The highest inter‐annual variations of the CI occurred in the southern IP and in the southern Canary Islands. The trends of CI were, overall, positive and significant, which indicates an increase of daily precipitation concentration over the study period and an increasing environmental risks scenario where erosivity, torrentiality, and floods may become more frequent.