bluuebunny/crossref_metadata_2025 huggingface dataset:
Extraordinary Separation of Acetylene‐Containing Mixtures with Microporous Metal–Organic Frameworks with Open O Donor Sites and Tunable Robustness through Control of the Helical Chain Secondary Building Units
Authors: Yao Zizhu , Zhang Zhangjing , Liu Lizhen , Li Ziyin , Zhou Wei , Zhao Yunfeng , Han Yu , Chen Banglin , Krishna Rajamani , Xiang Shengchang
Published: March 2016

Acetylene separation is a very important but challenging industrial separation task. Here, through the solvothermal reaction of CuI and 5‐triazole isophthalic acid in different solvents, two metal–organic frameworks (MOFs, FJU‐21 and FJU‐22) with open O donor sites and controllable robustness have been obtained for acetylene separation. They contain the same paddle‐wheel {Cu2(COO2)4} nodes and metal–ligand connection modes, but with different helical chains as secondary building units (SBUs), leading to different structural robustness for the MOFs. FJU‐21 and FJU‐22 are the first examples in which the MOFs’ robustness is controlled by adjusting the helical chain SBUs. Good robustness gives the activated FJU‐22 a, which has higher surface area and gas uptakes than the flexible FJU‐21 a. Importantly, FJU‐22 a shows extraordinary separation of acetylene mixtures under ambient conditions. The separation capacity of FJU‐22 a for 50:50 C2H2/CO2 mixtures is about twice that of the high‐capacity HOF‐3, and its actual separation selectivity for C2H2/C2H4 mixtures containing 1 % acetylene is the highest among reported porous materials. Based on first‐principles calculations, the extraordinary separation performance of C2H2 for FJU‐22 a was attributed to hydrogen‐bonding interactions between the C2H2 molecules with the open O donors on the wall, which provide better recognition ability for C2H2 than other functional sites, including open metal sites and amino groups.
Rhodium‐ and Iridium‐Catalyzed Asymmetric Addition of Optically Pure P‐Chiral H‐Phosphinates to Aldehydes Leading to Optically Active α‐Hydroxyphosphinates
Authors: Li Qiang , Chen Tieqiao , Xu Qing , Han Li‐Biao
Published: March 2016

Optically active α‐hydroxyphosphinates with both C‐ and P‐stereogenic centers are obtained by rhodium‐ or iridium‐catalyzed substrate‐directed stereoselective addition of the optically pure H‐phosphinates to aldehydes. The reaction most probably proceeds by a transition‐metal‐catalyzed mechanism with hydridometal complexes as key intermediates in the catalytic cycle.
Photocatalytic/Cu‐Promoted C−H Activations: Visible‐light‐Induced ortho‐Selective Perfluoroalkylation of Benzamides
Authors: Chen Xiang , Tan Ze , Gui Qingwen , Hu Liang , Liu Jidan , Wu Jing , Wang Guangwei
Published: March 2016

A visible‐light‐induced and copper‐promoted perfluoroalkylation of benzamides was successfully developed under the assistance of an 8‐aminoquinoline directing group. It provides a straightforward method for the synthesis of ortho‐perfluoroalkyl‐substituted benzoic acid derivatives. The reaction employs a cheap organic dye eosin Y as the photoredox catalyst and is run under the irradiation of a 26 W fluorescent LED light bulb.
N‐Heterocyclic Carbene–Ytterbium Amide as a Recyclable Homogeneous Precatalyst for Hydrophosphination of Alkenes and Alkynes
Authors: Yuan Jia , Hu Hongfan , Cui Chunming
Published: March 2016

The N‐heterocyclic carbene–ytterbium(II) amides (NHC)2Yb[N(SiMe3)2]2 (1: NHC: 1,3,4,5‐tetramethylimidazo‐2‐ylidene (IMe4); 2: NHC: 1,3‐diisopropyl‐4,5‐dimethylimidazol‐2‐ylidene (IiPr)) and the NHC‐stabilized rare‐earth phosphide (IMe4)3Yb(PPh2)2 (3) have been synthesized and fully characterized. Complexes 1–3 are active precatalysts for the hydrophosphination of alkenes, alkynes, and dienes and exhibited much superior catalytic activity to that of the NHC‐free amide (THF)2Yb[N(SiMe)2]2. Complex 1 is the most active precursor among the three complexes. In particular, complex 1 can be recycled and recovered from the reaction media after the catalytic reactions. Furthermore, it was found that complex 3 could catalyze the polymerization of styrene to yield atactic polystyrenes with low molecular weights. To the best of our knowledge, complex 1 represents the first rare‐earth complex that can be recovered after catalytic reactions.
Covalently Assembled Dipeptide Nanospheres as Intrinsic Photosensitizers for Efficient Photodynamic Therapy in Vitro
Authors: Yang Xiaoke , Fei Jinbo , Li Qi , Li Junbai
Published: March 2016

Monodispersed diphenylalanine‐based nanospheres with excellent biocompatibility are fabricated through a facile covalent reaction‐induced assembly. Interestingly, the nanospheres exhibit red autofluorescence. Most importantly, such assembled dipeptide nanospheres can serve as intrinsic photosensitizer to convert O2 to singlet oxygen (1O2). Thus, photodynamic therapy in vitro can be achieved effectively. The versatile strategy could be extended to other biomolecules containing a primary amine group for the fabrication of potential intrinsic photosensitizers.
Double Stereodifferentiation in the Asymmetric Dihydroxylation of Optically Active Olefins
Authors: Righi Giuliana , Bovicelli Paolo , Tirotta Ilaria , Sappino Carla , Mandic’ Emanuela
Published: March 2016

A study of the stereochemical control on the asymmetric dihydroxylation of the double bond of optically active vinyl epoxides and their derivatives (bromo derivatives, azido derivatives, and vinyl aziridines) was carried out and the obtained results are herein reported. The most interesting results were obtained on trans α,β‐unsaturated epoxy esters, which were successfully converted with a diastereomeric ratio >80% into the corresponding diols using either the matched or the mismatched conditions, depending on the ligand used. Unprotected bromo derivatives and unprotected aziridines did not afford significant results, while for the protected bromo derivatives, azido derivatives, and N‐Boc protected aziridines the matched conditions led to a diastereomeric ratio >95%. Chirality 28:387–393, 2016. © 2016 Wiley Periodicals, Inc.
Stereoselective Behavior of the Fungicide Benalaxyl During Grape Growth and the Wine‐Making Process
Authors: Lu Yuele , Shao Yihua , Dai Songjun , Diao Jinling , Chen Xiaolong
Published: March 2016

Benalaxyl is widely applied as a fungicide during grape planting processing. In this experiment, the stereoselective behavior of benalaxyl was studied during the grape growth and wine‐making process. A simple method based on high‐performance liquid chromatography (HPLC) equipped with a chiral column and UV detector was established to separate and determine the enantiomers of benalaxyl. Stereoselective degradation of the two enantiomers of benalaxyl was found in grapes. The degradation of both enantiomers followed pseudofirst‐order kinetics, and the degradation rate of R‐(−)‐benalaxyl was faster than S‐(+)‐benalaxyl. The half‐life of R‐(−)‐benalaxyl was 27 h, while the half‐life of S‐(+)‐benalaxyl was 31 h. The enantiomer fraction value decreased from 0.50 to 0.34 and finally only S‐(+)‐benalaxyl could be detected. In the fermentation process, both enantiomers of benalaxyl were hardly degraded, and no configuration interconversion was observed. Meanwhile, both enantiomers of benalaxyl showed little influence on the growth of the yeast, consumption of carbon sources, or production of alcohol. The result of this study might provide more sufficient data for the evaluation of food safety and potential risk. Chirality 28:394–398, 2016. © 2016 Wiley Periodicals, Inc.
Separation of Nadolol Stereoisomers Using Chiralpak IA Chiral Stationary Phase
Authors: Arafah Rami S. , Ribeiro António E. , Rodrigues Alírio E. , Pais Luís S.
Published: March 2016

Chiralpak IA adsorbent is used for both analytical and preparative chromatographic separation of nadolol stereoisomers. The results include a complete screening of the mobile phase composition for both the baseline resolution of all four nadolol stereoisomers (analytical separation) and the simulated moving bed (SMB) pseudo‐binary separation of the most retained stereoisomer. The experimental results show that analytical baseline resolution of nadolol stereoisomers can be achieved using alcohol/hydrocarbon and alcohol/acetonitrile solvent mixtures. The 10%ethanol/90%acetonitrile mixture is presented as the one that presents baseline resolution with lower retention. For the preparative pseudo‐binary separation, pure ethanol, pure methanol, alcohol/acetonitrile, and alcohol/tetrahydrofuran mixtures proved to allow good separation results. The 100%methanol/0.1%diethylamine solvent composition was selected to perform the experimental SMB separation. Using a 10 g/L total feed concentration, the more retained stereoisomer was recovered at the extract outlet stream with 99.5% purity, obtaining a system productivity of 1.98 gL−1 h−1and requiring a solvent consumption of 3.13 L/g of product. Comparing these results with the ones recently presented by Ribeiro et al. (2013), this work shows that the Chiralpak IA chiral adsorbent is an interesting alternative to Chiralpak AD for the separation of nadolol stereoisomers at both analytical and preparative scales.Chirality 28:399–408, 2016. © 2016 Wiley Periodicals, Inc.
Recycling von Textilien aus carbonfaserverstärkten Kunststoff‐Bauteilen und deren Produktion
Authors: Seiler Elisa , Stark Alexander , Forberger Jens
Published: March 2016

Durch Energie‐ und Ressourceneffizienzstrategien hat der Einsatz an Faserverbund‐Hybridbauteilen im Leichtbau stark zugenommen. Dies hat die Suche nach überzeugenden Recyclingmöglichkeiten für carbonfaserverstärkte Kunststoffe (CFK) in den vergangenen Jahren zu einem aktuellen Thema werden lassen. Vor diesem Hintergrund wird in dem vorliegenden Beitrag der zukünftige Recyclingmarkt dieser Materialien vorgestellt. Der Fokus liegt in der Rückgewinnung von Carbonfasern aus Produktionsabfall und CFK‐Bauteilen mittels Pyrolyse und Solvolyse.
High‐throughput automated scoring of Ki67 in breast cancer tissue microarrays from the Breast Cancer Association Consortium
Authors: Abubakar Mustapha , Howat William J , Daley Frances , Zabaglo Lila , McDuffus Leigh‐Anne , Blows Fiona , Coulson Penny , Raza Ali H , Benitez Javier , Milne Roger , Brenner Herman , Stegmaier Christa , Mannermaa Arto , Chang‐Claude Jenny , Rudolph Anja , Sinn Peter , Couch Fergus J , Tollenaar Rob A.E.M. , Devilee Peter , Figueroa Jonine , Sherman Mark E , Lissowska Jolanta , Hewitt Stephen , Eccles Diana , Hooning Maartje J , Hollestelle Antoinette , WM Martens John , HM van Deurzen Carolien , Investigators kConFab , Bolla Manjeet K , Wang Qin , Jones Michael , Schoemaker Minouk , Broeks Annegien , van Leeuwen Flora E , Van't Veer Laura , Swerdlow Anthony J , Orr Nick , Dowsett Mitch , Easton Douglas , Schmidt Marjanka K , Pharoah Paul D , Garcia‐Closas Montserrat
Published: March 2016

Automated methods are needed to facilitate high‐throughput and reproducible scoring of Ki67 and other markers in breast cancer tissue microarrays (TMAs) in large‐scale studies. To address this need, we developed an automated protocol for Ki67 scoring and evaluated its performance in studies from the Breast Cancer Association Consortium. We utilized 166 TMAs containing 16,953 tumour cores representing 9,059 breast cancer cases, from 13 studies, with information on other clinical and pathological characteristics. TMAs were stained for Ki67 using standard immunohistochemical procedures, and scanned and digitized using the Ariol system. An automated algorithm was developed for the scoring of Ki67, and scores were compared to computer assisted visual (CAV) scores in a subset of 15 TMAs in a training set. We also assessed the correlation between automated Ki67 scores and other clinical and pathological characteristics. Overall, we observed good discriminatory accuracy (AUC = 85%) and good agreement (kappa = 0.64) between the automated and CAV scoring methods in the training set. The performance of the automated method varied by TMA (kappa range= 0.37–0.87) and study (kappa range = 0.39–0.69). The automated method performed better in satisfactory cores (kappa = 0.68) than suboptimal (kappa = 0.51) cores (p‐value for comparison = 0.005); and among cores with higher total nuclei counted by the machine (4,000–4,500 cells: kappa = 0.78) than those with lower counts (50–500 cells: kappa = 0.41; p‐value = 0.010). Among the 9,059 cases in this study, the correlations between automated Ki67 and clinical and pathological characteristics were found to be in the expected directions. Our findings indicate that automated scoring of Ki67 can be an efficient method to obtain good quality data across large numbers of TMAs from multicentre studies. However, robust algorithm development and rigorous pre‐ and post‐analytical quality control procedures are necessary in order to ensure satisfactory performance.
Mo2C as Non‐Noble Metal Co‐Catalyst in Mo2C/CdS Composite for Enhanced Photocatalytic H2Evolution under Visible Light Irradiation
Authors: Ma Baojun , Xu Haojie , Lin Keying , Li Jie , Zhan Haijuan , Liu Wanyi , Li Can
Published: March 2016

Co‐catalysts are a major factor to enhance photocatalytic H2activity; they are mainly composed of expensive noble metals. Here, we reported a new non‐noble‐metal co‐catalyst Mo2C that efficiently improves the photocatalytic H2evolution of CdS under visible light irradiation. Mo2C is prepared by temperature‐programmed reaction with molybdenum oxide as precursor, and the Mo2C/CdS composite is prepared by deposition of CdS on Mo2C. The optimum composite 2.0 % Mo2C/CdS shows a high H2evolution rate of 161 μmol h−1, which is ten times higher than that of CdS alone and 2.3 times higher than the optimum for 1.0 % Pt/CdS. Moreover, the Mo2C/CdS is stable for 50 h. This study presents a new low‐cost non‐noble‐metal co‐catalyst as a photocatalyst to achieve highly efficient H2evolution.
Extracellular matrix couples the convergence movements of mesoderm and neural plate during the early stages of neurulation
Authors: Araya Claudio , Carmona‐Fontaine Carlos , Clarke Jonathan D.W.
Published: March 2016

Background: During the initial stages zebrafish neurulation, neural plate cells undergo highly coordinated movements before they assemble into a multicellular solid neural rod. We have previously identified that the underlying mesoderm is critical to ensure such coordination and generate correct neural tube organization. However, how intertissue coordination is achieved in vivo during zebrafish neural tube morphogenesis is unknown. Results: In this work, we use quantitative live imaging to study the coordinated movements of neural ectoderm and mesoderm during dorsal tissue convergence. We show the extracellular matrix components laminin and fibronectin that lie between mesoderm and neural plate act to couple the movements of neural plate and mesoderm during early stages of neurulation and to maintain the close apposition of these two tissues. Conclusions: Our study highlights the importance of the extracellular matrix proteins laminin and libronectin in coupling the movements and spatial proximity of mesoderm and neuroectoderm during the morphogenetic movements of neurulation. Developmental Dynamics 245:580–589, 2016. © 2016 Wiley Periodicals, Inc.
Africanization of a feral honey bee (Apis mellifera) population in South Texas: does a decade make a difference?
Authors: Rangel Juliana , Giresi Melissa , Pinto Maria Alice , Baum Kristen A. , Rubink William L. , Coulson Robert N. , Johnston John Spencer
Published: March 2016

The arrival to the United States of the Africanized honey bee, a hybrid between European subspecies and the African subspecies Apis mellifera scutellata, is a remarkable model for the study of biological invasions. This immigration has created an opportunity to study the dynamics of secondary contact of honey bee subspecies from African and European lineages in a feral population in South Texas. An 11‐year survey of this population (1991–2001) showed that mitochondrial haplotype frequencies changed drastically over time from a resident population of eastern and western European maternal ancestry, to a population dominated by the African haplotype. A subsequent study of the nuclear genome showed that the Africanization process included bidirectional gene flow between European and Africanized honey bees, giving rise to a new panmictic mixture of A. m. scutellata‐ and European‐derived genes. In this study, we examined gene flow patterns in the same population 23 years after the first hybridization event occurred. We found 28 active colonies inhabiting 92 tree cavities surveyed in a 5.14 km2 area, resulting in a colony density of 5.4 colonies/km2. Of these 28 colonies, 25 were of A. m. scutellata maternal ancestry, and three were of western European maternal ancestry. No colonies of eastern European maternal ancestry were detected, although they were present in the earlier samples. Nuclear DNA revealed little change in the introgression of A. m. scutellata‐derived genes into the population compared to previous surveys. Our results suggest this feral population remains an admixed swarm with continued low levels of European ancestry and a greater presence of African‐derived mitochondrial genetic composition.
Whole‐genome sequencing reveals small genomic regions of introgression in an introduced crater lake population of threespine stickleback
Authors: Yoshida Kohta , Miyagi Ryutaro , Mori Seiichi , Takahashi Aya , Makino Takashi , Toyoda Atsushi , Fujiyama Asao , Kitano Jun
Published: March 2016

Invasive species pose a major threat to biological diversity. Although introduced populations often experience population bottlenecks, some invasive species are thought to be originated from hybridization between multiple populations or species, which can contribute to the maintenance of high genetic diversity. Recent advances in genome sequencing enable us to trace the evolutionary history of invasive species even at whole‐genome level and may help to identify the history of past hybridization that may be overlooked by traditional marker‐based analysis. Here, we conducted whole‐genome sequencing of eight threespine stickleback (Gasterosteus aculeatus) individuals, four from a recently introduced crater lake population and four of the putative source population. We found that both populations have several small genomic regions with high genetic diversity, which resulted from introgression from a closely related species (Gasterosteus nipponicus). The sizes of the regions were too small to be detected with traditional marker‐based analysis or even some reduced‐representation sequencing methods. Further amplicon sequencing revealed linkage disequilibrium around an introgression site, which suggests the possibility of selective sweep at the introgression site. Thus, interspecies introgression might predate introduction and increase genetic variation in the source population. Whole‐genome sequencing of even a small number of individuals can therefore provide higher resolution inference of history of introduced populations.
Estimating Neospora caninum prevalence in wildlife populations using Bayesian inference
Authors: Moreno‐Torres Karla , Wolfe Barbara , Saville William , Garabed Rebecca
Published: March 2016

Prevalence of disease in wildlife populations, which is necessary for developing disease models and conducting epidemiologic analyses, is often understudied. Laboratory tests used to screen for diseases in wildlife populations often are validated only for domestic animals. Consequently, the use of these tests for wildlife populations may lead to inaccurate estimates of disease prevalence. We demonstrate the use of Bayesian latent class analysis (LCA) in determining the specificity and sensitivity of a competitive enzyme‐linked immunosorbent assay (cELISA; VMRD®, Inc.) serologic test used to identify exposure to Neospora caninum (hereafter N. caninum) in three wildlife populations in southeastern Ohio, USA. True prevalence of N. caninum exposure in these populations was estimated to range from 0.1% to 3.1% in American bison (Bison bison), 51.0% to 53.8% in Père David's deer (Elaphurus davidianus), and 40.0% to 45.9% in white‐tailed deer (Odocoileus virginianus). The accuracy of the cELISA in American bison and Père David's deer was estimated to be close to the 96% sensitivity and 99% specificity reported by the manufacturer. Sensitivity in white‐tailed deer, however, ranged from 78.9% to 99.9%. Apparent prevalence of N. caninum from the test results is not equal to the true prevalence in white‐tailed deer and Père David's deer populations. Even when these species inhabit the same community, the true prevalence in the two deer populations differed from the true prevalence in the American bison population. Variances in prevalence for some species suggest differences in the epidemiology of N. caninum for these colocated populations. Bayesian LCA methods could be used as in this example to overcome some of the constraints on validating tests in wildlife species. The ability to accurately evaluate disease status and prevalence in a population improves our understanding of the epidemiology of multihost pathogen systems at the community level.
The Original CoII Heteroscorpionates Revisited: On the EPR of Pseudotetrahedral CoII
Authors: Baum Robert R. , Myers William K. , Greer Samuel M. , Breece Robert M. , Tierney David L.
Published: March 2016

An examination of the solution spectroscopy of a series of tetrahedral bis‐bispyrazolylborate complexes of CoII is presented. This includes a re‐examination of the UV/Vis‐NIR of the three stable derivatives, Bp2Co, Bp3,5Me2Co and (Ph2Bp)2Co, which showed two transitions previously unobserved, one arising from splitting of the near‐infrared d‐d transition and one arising from a ligand‐based or charge‐transfer mechanism; a reevaluation of Δ and B led to values more in line with similar complexes. Frozen solution EPR of the series of complexes suggests all are under the influence of a non‐negligible, negative zero‐field splitting. This is in contrast to previous powder measurements, which we show observed only a subset of the available transitions, leading to a mis‐assignment of the parent complex's electronic structure. We present a proposal, based on the EPR of this closely related set of complexes, that the 59Co hyperfine coupling that is only sometimes observed in the EPR of pseudotetrahedral CoII at X‐band is in fact indicative of an MS = ± 3/2 ground level (D < 0), with the hyperfine coupling originating in the nominally forbidden ΔMS = 3 transition along g∥.
Development and piloting of a food‐based intervention to increase vitamin E intake in pregnant women in a randomized controlled trial
Authors: Clark Julia , Holgan Nikki , Craig Leone , Morgan Heather , Danielian Peter , Devereux Graham
Published: March 2016

Low maternal vitamin E intake during pregnancy is associated with childhood asthma and a trial is required to test whether increasing maternal vitamin E intake reduces childhood asthma. This study investigated whether such a trial is possible using food to increase vitamin E intake. Three soup varieties with enhanced vitamin E content (16–19 mg/can) from food ingredients were developed. Near identical retail versions (vitamin E 1–4 mg/can) acted as placebo. In a pilot double‐blind randomized controlled trial, pregnant women were randomized 1:1 to enhanced or placebo soups (three tins/week) from 12 weeks gestation to delivery. Vitamin E intake was quantified at 12, 20, and 34 weeks gestation. Qualitative interviews were conducted. 59 women were randomized (29 enhanced, 30 placebo), 28 completed the trial, (15 enhanced, 13 placebo). In women completing the trial, vitamin E intake of the placebo group remained unchanged; 7.09 mg/d (95% CI 5.41–8.77) at 12 weeks, 6.41 mg/d (5.07–7.75) at 20 weeks, and 6.67 mg/d (5.38–7.96) at 34 weeks gestation; vitamin E intake of the enhanced group increased from 6.50 mg/d (5.21–7.79) at 12 weeks to 14.9 mg/d (13.3–16.4) at 20 weeks and 15.2 mg/d (12.9–17.5) at 34 weeks, P < 0.001. Qualitative interviewing provided clear guidance on improving adherence. Although 31 women withdrew at median 19 weeks gestation (interquartile range 16–25), the intervention was consumed by women for 80% of weeks between 12 and 34 weeks gestation and for 63% of weeks between 12 weeks gestation and delivery. In a pilot double‐blind randomized controlled trial (RCT) it is possible to increase maternal vitamin E intake using food ingredients, a further food product is required to improve adherence.
Platelets: No longer bystanders in liver disease
Authors: Chauhan Abhishek , Adams David H. , Watson Steve P. , Lalor Patricia F.
Published: March 2016

Growing lines of evidence recognize that platelets play a central role in liver homeostasis and pathobiology. Platelets have important roles at every stage during the continuum of liver injury and healing. These cells contribute to the initiation of liver inflammation by promoting leukocyte recruitment through sinusoidal endothelium. They can activate effector cells, thus amplifying liver damage, and by modifying the hepatic cellular and cytokine milieu drive both hepatoprotective and hepatotoxic processes. Conclusion: In this review we summarize how platelets drive such pleiotropic actions and attempt to reconcile the paradox of platelets being both deleterious and beneficial to liver function; with increasingly novel methods of manipulating platelet function at our disposal, we highlight avenues for future therapeutic intervention in liver disease. (Hepatology 2016;64:1774‐1784)
Stratification and residence time as factors controlling the seasonal variation and the vertical distribution of chlorophyll‐a in a subtropical irrigation reservoir
Authors: León José Gabriel , Beamud Sara Guadalupe , Temporetti Pedro Félix , Atencio Adrián Gonzalo , Diaz Mónica Mabel , Pedrozo Fernando Luis
Published: March 2016

Reservoir trophic state is controlled by light and nutrient availability, as well as by hydraulic management and stratification pattern. In arid zone reservoirs, the inflow and outflow discharges have extreme seasonal variations which produce well‐defined cycles of filling and draining. Moreover, since stratification often occurs, epilimnion and hypolimnion renewal rates may vary producing different environmental conditions throughout the water column. These variation patterns may affect phytoplankton growth at both temporal and spatial scales. For two hydrological years, we analyzed the influence of light climate, nutrients, residence time (Tw), and stratification on phytoplankton biomass (as chlorophyll‐a [Chl‐a]) in an irrigation reservoir (276 hm3) in the arid central Andes in Argentina (33°S). The reservoir was turbid (ZSecchi: 1.4 m) with relatively high levels of dissolved nitrogen and phosphorus (60 μgP L−1 and 560 μgN L−1, respectively). Stratification occurred from mid‐spring to late‐summer, when hypolimnetic oxygen and pH decreased whereas dissolved nutrients increased. The reservoir was mesotrophic (Chl‐a: 4.6–10.8 μg L−1) and showed two semi‐annual peaks of Chl‐a (summer and winter). Depending on the water column circulation, Chl‐a was directly related to Tw for 60 > Tw > 200 and inversely to ammonia, during mixing and stratification periods, respectively. Phytoplankton development was strongly influenced by the seasonal variations of inflow/outflow and stratification. Chl‐a peaked in summer, when inflow plunged into the hypolimnion of the stratified reservoir and in the warm and mixed epilimnion algae proliferated until nutrients depletion. Alternatively, the winter Chl‐a maximum is likely to be produced by the higher concentration of nutrients combined with the turbulent mixing in the water column which acts as a mechanism that helps to overcome light‐limitation. Since stratification modifies the vertical distribution of Tw, the use of a single annual value of this hydraulic parameter to assess its effect on the reservoir trophic state results inadequate. This paper constitutes the first description of hydrologic effects on Chl‐a dynamics in a reservoir in arid central western Argentina.
Removal of chemicals of concern by high rate nitrifying trickling filters
Authors: Mai Lei , van den Akker Ben , Du Jun , Kookana Rai , Fallowfield Howard
Published: March 2016

BACKGROUND

The nitrifying trickling filter (NTF) is a process commonly used in wastewater treatment to remove ammonia. What is less clear is its ability to remove emerging organic contaminants. This study evaluated the potential of NTF to remove eight trace organic chemicals of concern (CoCs), with initial concentration of caffeine, bisphenol A, benzotriazole, trimethoprim and acetaminophen 1 mg L−1, atrazine 2 mg L−1, 17α‐ethynylestradiol 5 mg L−1 and N, N‐diethyl‐m‐toluamide 10 mg L−1, using a laboratory‐scale NTF system. The impact of initial nitrification rate on chemicals' removal and the impact of chemicals on nitrification rate were investigated.

RESULTS

The removal efficiency of a recirculating NTF for CoC removal was in the following order: caffeine (98%) > acetaminophen and N, N‐diethyl‐m‐toluamide (58.6%) > atrazine (48.7%) > 17α‐ethynylestradiol (48.3%) > benzotriazole (42.8%) > bisphenol A (26.2%) > trimethoprim (17.9%). In NTFs, biodegradation was the dominant process. In this study, the removal of caffeine was found to be the most effective, and removal of trimethoprim the least. The removal efficiency of most chemicals increased, except for benzotriazole, with increasing nitrification. The presence of CoCs might negatively affect nitrification in NTFs.

CONCLUSION

The research demonstrated that recirculating high rate NTF is potentially an efficient approach for removal of trace organic contaminants. © 2016 Society of Chemical Industry
Reaction of Amidrazones with Diaminomaleonitrile: Synthesis of 4‐Amino‐5‐Iminopyrazoles
Authors: Aly Ashraf A. , Hassan Alaa A. , Bräse Stefan , Gomaa Mohsen A.‐M. , Nemr Fatmaa M.
Published: March 2016

Diaminomaleonitrile and N‐arylbenzamidrazones reacted together to give 4‐amino‐5‐iminopyrazoles. A probable reaction mechanism involves firstly removal of ammonia, followed by addition and cylization of the hydrazino‐N2 of amidrazone to the nitrile group in diaminomaleonitrile. The structure of the obtained products was proved by IR, mass, NMR spectra and elemental analyses.
Brain metastases detection on MR by means of three‐dimensional tumor‐appearance template matching
Authors: Pérez‐Ramírez Úrsula , Arana Estanislao , Moratal David
Published: March 2016

Purpose

To develop and evaluate a method for an automatic detection of brain metastases in MR images.

Materials and Methods

Nineteen patients were scanned using a 1.5 Tesla MR scanner. Two radiologists and a radiation oncologist marked the location of the brain metastases. The training group consisted of eight patients harboring 20 metastases. First, three‐dimensional (3D) tumor‐appearance templates were cross‐correlated with MR brain images to evaluate their similarity, and a correlation threshold was established for metastasis candidates. Afterward, a method to reduce false positive rate (FPR) was applied: each detected object was segmented and its degree of anisotropy (DA) was obtained, removing the elongated structures with a DA above the optimal value from the receiver operating characteristic curve. Finally, the method was statistically validated in two groups: 11 patients with 42 brain metastases and 11 patients without metastases.

Results

The method led to a sensitivity of 80% and an FPR per slice of 0.023 and 2.75 per patient in the training group. In the first validation group, a sensitivity of 88.10% and an FPR per slice of 0.05 corresponding to 6.91 false positives per patient were obtained. DA implementation decreased 3.5 times FPR compared with templates alone. It improved the radiologist's performance in metastases less than 10 mm from 89–93% to 100%. In the second validation group the FPR was 0.04 per slice and 5.18 per patient.

Conclusion

This method demonstrates that 3D template matching applying DA technique has high sensitivity and low FPR for detecting brain metastases in MR images. J. Magn. Reson. Imaging 2016;44:642–652.
Optimal sizing and design of CMOS analogue amplifier circuits using craziness‐based particle swarm optimization
Authors: Mallick S. , Kar R. , Ghoshal S. P. , Mandal D.
Published: March 2016

This paper presents the optimal designs of two analogue complementary metal–oxide–semiconductor (CMOS) amplifier circuits, namely differential amplifier with current mirror load and two‐stage operational amplifier. A modified Particle Swarm Optimization (PSO), called Craziness‐based Particle Swarm Optimization (CRPSO) technique is applied to minimize the total MOS area of the designed circuits. CRPSO is a highly modified version of conventional PSO, which adopts a number of random variables and has a better and faster exploration and exploitation capability in the multidimensional search space. Integration of craziness factor in the fundamental velocity term of PSO not only brings diversity in particles but also pledges convergence close to global best solution. The proposed CRPSO‐based circuit optimization technique is reassured to be free from the intrinsic disadvantages of premature convergence and stagnation, unlike Differential Evolution (DE), Harmony Search (HS), Artificial Bee Colony (ABC) and Particle Swarm Optimization (PSO). The simulation results achieved for the two analogue CMOS amplifier circuits establish the efficacy of the proposed CRPSO‐based approach over those of DE, HS, ABC and PSO in terms of convergence haste, design conditions and design goals. The optimally designed analogue CMOS amplifier circuits occupy the least MOS area and show the best performance parameters like gain and power dissipation, in compared with the other reported literature. Copyright © 2016 John Wiley & Sons, Ltd.
Characterization of different substrates for Raman spectroscopic imaging of eukaryotic cells
Authors: Ramoji Anuradha , Galler Kerstin , Glaser Uwe , Henkel Thomas , Mayer Günter , Dellith Jan , Bauer Michael , Popp Jürgen , Neugebauer Ute
Published: March 2016

For Raman spectroscopic analyses of the cells and other biological samples, the choice of the right substrate material is very important to avoid loss of information in characteristic spectral features because of competing background signals. In the current study, Raman spectroscopy is used to characterize several potential Raman substrates. Raman vibrational bands of the substrate material are discussed. The surface topography is analyzed by atomic force microscopy, and the root mean square surface roughness values are reported. Biocompatibility of the substrates is tested with Hep G2 cells evaluating cellular morphology as well as live/dead staining. Calcium fluoride, silicon, fused silica, borofloat glass, and silicon nitride membranes support cell growth and adherence. Silicon, borofloat glass, and fused silica give rise to Raman signals in the region of interest. Calcium fluoride substrate (UV grade) is suitable for Raman spectroscopic investigation of living cells. Nickel foil is suitable substrate for Raman spectroscopic investigation but cellular adherence and viability depend on the quality of the foil. Silicon nitride membranes coated with nickel chrome is a suitable Raman substrate in closed microfluidic systems. Copyright © 2016 John Wiley & Sons, Ltd.
The Effectiveness of Eye Movement Desensitization and Reprocessing Therapy to Treat Symptoms Following Trauma in Timor Leste
Authors: Schubert Sarah J. , Lee Christopher W. , de Araujo Guilhermina , Butler Susan R. , Taylor Graham , Drummond Peter D.
Published: March 2016

The effectiveness of eye movement desensitization and reprocessing (EMDR) therapy for treating trauma symptoms was examined in a postwar/conflict, developing nation, Timor Leste. Participants were 21 Timorese adults with symptoms of posttraumatic stress disorder (PTSD), assessed as those who scored ≥2 on the Harvard Trauma Questionnaire (HTQ). Participants were treated with EMDR therapy. Depression and anxiety symptoms were assessed using the Hopkins Symptom Checklist. Symptom changes post‐EMDR treatment were compared to a stabilization control intervention period in which participants served as their own waitlist control. Sessions were 60–90 mins. The average number of sessions was 4.15 (SD = 2.06). Despite difficulties providing treatment cross‐culturally (i.e., language barriers), EMDR therapy was followed by significant and large reductions in trauma symptoms (Cohen's d = 2.48), depression (d = 2.09), and anxiety (d = 1.77). At posttreatment, 20 (95.2%) participants scored below the HTQ PTSD cutoff of 2. Reliable reductions in trauma symptoms were reported by 18 participants (85.7%) posttreatment and 16 (76.2%) at 3‐month follow‐up. Symptoms did not improve during the control period. Findings support the use of EMDR therapy for treatment of adults with PTSD in a cross‐cultural, postwar/conflict setting, and suggest that structured trauma treatments can be applied in Timor Leste.
Method for the preparation of artificial lake and river waters
Authors: Sugiyama Masahito , Wu Shiqin , Hosoda Ko , Mochizuki Akihito , Hori Toshitaka
Published: March 2016

The preparation of artificial waters that exactly reflect the actual concentrations of major, minor, and nutrient constituents except for organic matters in natural lake and river waters was studied. Lake and river waters worldwide with near‐neutral pH values were classified into six types from the perspective of preparing their artificial counterparts, and a method for preparing each type has been developed. These methods can be applied to all of the 457 freshwater lakes and rivers worldwide (pH 5.1–8.7) whose major chemical compositions have been reliably determined and published in previous reports. This method is also applicable to saline lakes and rivers with total concentrations of dissolved ions less than 2 g L−1. Storage methods for artificial water were also examined to ensure the concentrations of the constituents are maintained. Autoclaved artificial water stored in an autoclaved container showed good stability for the concentrations of all constituents, even after 30 d of storage under ambient conditions.
Low Temperature Ring‐Opening Polymerization of Diglycolide Using Organocatalysts with PEG as Macroinitiator
Authors: Kemo Viviane Mawamba , Schmidt Christian , Zhang Yufei , Beuermann Sabine
Published: March 2016

Polyglycolide (PGA) is synthesized via ring‐opening polymerization (ROP) of diglycolide using the organocatalysts 1,8‐diazabicyclo[5.4.0]undec‐7‐ene (DBU), 1,5‐diazabicyclo[4.3.0]non‐5‐ene, or 1,5,7‐ triazabicyclo[4.4.0]dec‐5‐ene. ROP is carried out at low temperatures ranging from −20 to 50 °C without adding any alcohol as initiator. All polymers are fully soluble in hexafluoroisopropanol. At ambient temperature number average molecular weights up to 27 000 g mol−1 are obtained. With DBU the highest molecular weights and conversions are accessible at −20 °C. Melting temperature and glass transition temperature are independent of PGA molecular weight. Carrying out the reactions in the presence of polyethylene glycol serving as macroinitiator yields polymers with improved thermal stability and lowered melting temperatures.

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Novel Dual‐Cure Initiating System for Cationic Polymerization of Epoxides
Authors: Maréchal David , Allonas Xavier , Lecompère Maxime , Criqui Adrien
Published: March 2016

Pyrylium salts are found to be effective initiators for both photochemical and thermal cationic polymerization of epoxy resin. The photopolymerization results show that triphenylpyrylium salt derivatives are the most efficient structures. These compounds also exhibit some thermal reactivity at room temperature in the absence of light. However in such case, the gel time of the resin is quite high. Therefore, to speed up the thermal reaction, nucleophilic compounds are added as coinitiators, these compounds being known to yield a fast decomposition of pyrylium salts. This indeed increases the polymerization of epoxy resin at room temperature, opening the way to the development of quite efficient dual‐cure photochemical/thermal initiating system for cationic polymerization.

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Designing Multi‐target Compound Libraries with Gaussian Process Models
Authors: Bieler Michael , Reutlinger Michael , Rodrigues Tiago , Schneider Petra , Kriegl Jan M. , Schneider Gisbert
Published: March 2016

We present the application of machine learning models to selecting G protein‐coupled receptor (GPCR)‐focused compound libraries. The library design process was realized by ant colony optimization. A proprietary Boehringer‐Ingelheim reference set consisting of 3519 compounds tested in dose‐response assays at 11 GPCR targets served as training data for machine learning and activity prediction. We compared the usability of the proprietary data with a public data set from ChEMBL. Gaussian process models were trained to prioritize compounds from a virtual combinatorial library. We obtained meaningful models for three of the targets (5‐HT2c, MCH, A1), which were experimentally confirmed for 12 of 15 selected and synthesized or purchased compounds. Overall, the models trained on the public data predicted the observed assay results more accurately. The results of this study motivate the use of Gaussian process regression on public data for virtual screening and target‐focused compound library design.
Lineage analysis by microsatellite loci deep sequencing in mice
Authors: Luo Tao , He Xionglei , Xing Ke
Published: March 2016

Lineage analysis is the identification of all the progeny of a single progenitor cell, and has become particularly useful for studying developmental processes and cancer biology. Here, we propose a novel and effective method for lineage analysis that combines sequence capture and next‐generation sequencing technology. Genome‐wide mononucleotide and dinucleotide microsatellite loci in eight samples from two mice were identified and used to construct phylogenetic trees based on somatic indel mutations at these loci, which were unique enough to distinguish and parse samples from different mice into different groups along the lineage tree. For example, biopsies from the liver and stomach, which originate from the endoderm, were located in the same clade, while samples in kidney, which originate from the mesoderm, were located in another clade. Yet, tissue with a common developmental origin may still contain cells of a mixed ancestry. This genome‐wide approach thus provides a non‐invasive lineage analysis method based on mutations that accumulate in the genomes of opaque multicellular organism somatic cells. Mol. Reprod. Dev. 83: 387–391, 2016. © 2016 Wiley Periodicals, Inc.
Risk factors predicting upper urinary tract deterioration in patients with spinal cord injury: A retrospective study
Authors: Çetinel Bülent , Önal Bülent , Can Günay , Talat Zübeyr , Erhan Belgin , Gündüz Berrin
Published: March 2016

Aims

To determine the risk factors predicting upper urinary tract (UUT) deterioration in patients with spinal cord injury (SCI).

Methods

Medical records of 303 SCI patients who referred to the urodynamic unit of a rehabilitation hospital between 1996 and 2003 were retrospectively reviewed. The data included general patient demographics, SCI characteristics, bladder management methods, serum creatinine level, presence of urinary tract infection, indwelling catheter time, radiological findings of upper and lower urinary tract, and video‐urodynamic (VUD) findings. Univariate and multivariate analyses were used to determine the risk factors predicting UUT deterioration. ROC analysis was done to determine the cut‐off values of detrusor pressure and cystometric bladder capacity volume predicting UUT deterioration.

Results

Complete data were available on 255 patients. Median patient age was 33 years (18–75). The leading causes of SCI were motor vehicle accidents (40%) and falls (29%). Upper urinary tract deterioration was determined in 63 patients (25%). Abnormal radiological LUT findings, the absence of antimuscarinic drug usage in the history, detrusor pressures greater than 75 cmH2O and cystometric bladder capacity less than 200 ml were found to be independent risk factors in logistic regression analysis. ROC analysis revealed that values ≥75 cmH2O for maximum detrusor pressure, <200 ml for bladder capacity, and >6 months for indwelling catheter time were cutoff values for UUT deterioration.

Conclusion

Abnormal radiological LUT findings, the absence of antimuscarinic drug usage, detrusor pressures ≥75 cmH2O, and cystometric bladder capacity <200 ml were independent risk factors predicting UUT deterioration SCI patients. Neurourol. Urodynam. 36:653–658, 2017. © 2016 Wiley Periodicals, Inc.
A randomized trial of high‐dairy‐protein, variable‐carbohydrate diets and exercise on body composition in adults with obesity
Authors: Parr Evelyn B. , Coffey Vernon G. , Cato Louise E. , Phillips Stuart M. , Burke Louise M. , Hawley John A.
Published: March 2016

Objective

This study determined the effects of 16‐week high‐dairy‐protein, variable‐carbohydrate (CHO) diets and exercise training (EXT) on body composition in men and women with overweight/obesity.

Methods

One hundred and eleven participants (age 47 ± 6 years, body mass 90.9 ± 11.7 kg, BMI 33 ± 4 kg/m2, values mean ± SD) were randomly stratified to diets with either: high dairy protein, moderate CHO (40% CHO: 30% protein: 30% fat; ∼4 dairy servings); high dairy protein, high CHO (55%: 30%: 15%; ∼4 dairy servings); or control (55%: 15%: 30%; ∼1 dairy serving). Energy restriction (500 kcal/day) was achieved through diet (∼250 kcal/day) and EXT (∼250 kcal/day). Body composition was measured using dual‐energy X‐ray absorptiometry before, midway, and upon completion of the intervention.

Results

Eighty‐nine (25 M/64 F) of 115 participants completed the 16‐week intervention, losing 7.7 ± 3.2 kg fat mass (P < 0.001) and gaining 0.50 ± 1.75 kg lean mass (P < 0.01). There was no difference in the changes in body composition (fat mass or lean mass) between groups.

Conclusions

Compared to a healthy control diet, energy‐restricted high‐protein diets containing different proportions of fat and CHO confer no advantage to weight loss or change in body composition in the presence of an appropriate exercise stimulus.
Robust static and fixed‐order dynamic output feedback control of discrete‐time parametric uncertain Luré systems: Sequential SDP relaxation approaches
Authors: Kim Kwang‐Ki K. , Braatz Richard D.
Published: March 2016

Design methods are proposed for static and fixed‐order dynamic output feedback controllers for discrete‐time Luré systems with sector‐bounded nonlinearities in the presence of parametric uncertainties described by polytopes. The derived design conditions are represented in terms of bilinear matrix inequalities, which are nonconvex. By using convex relaxation methods, controller design equations are derived for systems with multiple states, outputs, and nonlinearities in terms of linear matrix inequalities (LMIs) and iterative LMIs, which are associated with semidefinite programs. The proposed design methods are developed from stability conditions using parameter‐dependent Lyapunov functions, and existing iterative numerical methods are adapted to solve certain classes of nonconvex optimization problems for controller design. Several numerical examples are provided to illustrate and verify the proposed design methods. Copyright © 2016 John Wiley & Sons, Ltd.