bluuebunny/crossref_metadata_2025 huggingface dataset:
Geological and meteorological controls on icing (aufeis) dynamics (1985 to 2014) in subarctic Canada
Authors: Morse P. D. , Wolfe S. A.
Published: July 2015

Icings are widespread yet poorly understood winter hydrological phenomena that develop over the winter by freezing successive overflows of groundwater to the surface. Groundwater hydrology in arctic regions is constrained by geological setting and permafrost extent, and overflows are possibly driven by cold winters, winter warming intervals, high antecedent autumn rainfall, and low early winter snowfall. Consequently, icings are spatially recurrent but not necessarily annually nor to the same extent. We test the significance of identified meteorological forcing variables against a long‐term data set of icing dynamics and distribution we developed for the Great Slave region around Yellowknife, Northwest Territories. Climate is regionally consistent, but variable geology and permafrost create hydrological conditions representative of much of the subarctic. We mapped 5500 icings in the study area (21,887 km2) with a semiautomated approach utilizing late spring Landsat archival images (1985 to 2014). Individual icing size, ranging 3 orders of magnitude (1.8 × 10−3 km2 to 4.1 km2), is related to return frequency. Infrequent ice (25% return frequency) accounts for 94% of the total icing area (86 km2). Winter warming intervals (≥5°C; typically over 1–3 days) and autumn rainfall (September and October) explain 28% of icing density interannual variation overall. Interannual icing variation and significant meteorological forcing variables differ among ecoregions where varied geological settings and permafrost conditions influence the hydrological regime. Future icings may develop less frequently due to decreasing winter warming intervals, but increasing autumn rainfall may increase icing density where Canadian Shield leads to strong threshold‐mediated runoff generation processes.
Particulate nitrogen exports in stream runoff exceed dissolved nitrogen forms during large tropical storms in a temperate, headwater, forested watershed
Authors: Inamdar Shreeram , Dhillon Gurbir , Singh Shatrughan , Parr Thomas , Qin Zhixuan
Published: July 2015

Although lasting only a fraction of the year, large storms may represent a significant, but highly variable, control on watershed nitrogen (N) fluxes. We determined the exports of particulate N (PN) and total dissolved N including nitrate‐N (NO3‐N) and dissolved organic N (DON) in streamflow from a 12 ha temperate forested watershed. Sampling was performed for 15 storms over September 2010 to December 2012 and included four large tropical storms—Nicole (2010), Irene and Lee (2011), and Sandy (2012). PN composed a substantial portion (39–87%) of the storm event N export with storms constituting 65% of the 2011 PN export. Tropical storm Irene alone generated 1.76 kg N ha−1 of PN which was 27% of the annual watershed N (6.43 kg N ha−1) export for 2011. In contrast, tropical storm Sandy (October 2012) yielded low sediment and PN exports, likely due to low precipitation intensity and a freshly fallen leaf cover that may have reduced soil erosion. Stream water concentrations of PN, NO3‐N, and DON ranged from 0–17.5, 0–2.02, and 0.01–0.54 mg N L−1, respectively. Nitrate‐N concentrations displayed a dilution trajectory for peak stormflows suggesting supply limitation, a response that was not as strong for PN. These results underscore the importance of large storms for PN export which is significant given that climate‐change predictions indicate an increasing intensity of large tropical storms for the northeast U.S.. Elevated PN exports could further exacerbate water quality and eutrophication problems in sensitive aquatic ecosystems already subjected to excess dissolved nitrogen loads.
Rational Design of Materials Interface for Efficient Capture of Circulating Tumor Cells
Authors: Li Yong‐Qiang , Chandran Bevita K. , Lim Chwee Teck , Chen Xiaodong
Published: July 2015

Originating from primary tumors and penetrating into blood circulation, circulating tumor cells (CTCs) play a vital role in understanding the biology of metastasis and have great potential for early cancer diagnosis, prognosis and personalized therapy. By exploiting the specific biophysical and biochemical properties of CTCs, various material interfaces have been developed for the capture and detection of CTCs from blood. However, due to the extremely low number of CTCs in peripheral blood, there exists a need to improve the efficiency and specificity of the CTC capture and detection. In this regard, a critical review of the numerous reports of advanced platforms for highly efficient and selective capture of CTCs, which have been spurred by recent advances in nanotechnology and microfabrication, is essential. This review gives an overview of unique biophysical and biochemical properties of CTCs, followed by a summary of the key material interfaces recently developed for improved CTC capture and detection, with focus on the use of microfluidics, nanostructured substrates, and miniaturized nuclear magnetic resonance‐based systems. Challenges and future perspectives in the design of material interfaces for capture and detection of CTCs in clinical applications are also discussed.
A hierarchical bayesian analysis of parasite prevalence and sociocultural outcomes: The role of structural racism and sanitation infrastructure
Authors: Ross Cody T. , Winterhalder Bruce
Published: July 2015

Objectives

We conduct a revaluation of the Thornhill and Fincher research project on parasites using finely‐resolved geographic data on parasite prevalence, individual‐level sociocultural data, and multilevel Bayesian modeling. In contrast to the evolutionary psychological mechanisms linking parasites to human behavior and cultural characteristics proposed by Thornhill and Fincher, we offer an alternative hypothesis that structural racism and differential access to sanitation systems drive both variation in parasite prevalence and differential behaviors and cultural characteristics.

Methods

We adopt a Bayesian framework to estimate parasite prevalence rates in 51 districts in eight Latin American countries using the disease status of 170,220 individuals tested for infection with the intestinal roundworm Ascaris lumbricoides (Hürlimann et al., []: PLoS Negl Trop Dis 5:e1404). We then use district‐level estimates of parasite prevalence and individual‐level social data from 5,558 individuals in the same 51 districts (Latinobarómetro, 2008) to assess claims of causal associations between parasite prevalence and sociocultural characteristics.

Results

We find, contrary to Thornhill and Fincher, that parasite prevalence is positively associated with preferences for democracy, negatively associated with preferences for collectivism, and not associated with violent crime rates or gender inequality. A positive association between parasite prevalence and religiosity, as in Fincher and Thornhill (: Behav Brain Sci 35:61–79), and a negative association between parasite prevalence and achieved education, as predicted by Eppig et al. (: Proc R S B: Biol Sci 277:3801–3808), become negative and unreliable when reasonable controls are included in the model. We find support for all predictions derived from our hypothesis linking structural racism to both parasite prevalence and cultural outcomes.

Conclusions

We conclude that best practices in biocultural modeling require examining more than one hypothesis, retaining individual‐level data and its associated variance whenever possible, and adopting multilevel techniques suited to the structuring of the data. Am. J. Hum. Biol. 28:74–89, 2016. © 2015 Wiley Periodicals, Inc.
Direct C5‐Isomerization Approach to l‐Iduronic Acid Derivatives
Authors: Cao Xuefeng , Lv Qingqing , Li Dongmei , Ye Hui , Yan Xu , Yang Xiande , Gan Hao , Zhao Wei , Jin Lan , Wang Peng , Shen Jie
Published: July 2015

Inspired by the biosynthesis of heparan sulfate (HS), we present a direct epimerization approach to l‐iduronic acid synthons (IdoA) from the corresponding C5 epimers, d‐glucuronic acids (GlcA). With the best result, 95 % conversion was achieved. Weak intramolecular interactions dramatically affect the equilibrium constants of this thermodynamically governed process. Based on this approach, GlcA and IdoA donors required for the synthesis of fondaparinux were prepared in 14 steps, whereas over 20 steps were required previously.
Transition‐Metal‐Free Synthesis of Carbazoles and Indoles by an SNAr‐Based “Aromatic Metamorphosis” of Thiaarenes
Authors: Bhanuchandra M. , Murakami Kei , Vasu Dhananjayan , Yorimitsu Hideki , Osuka Atsuhiro
Published: July 2015

Dibenzothiophene dioxides, which are readily prepared through oxidation of the parent dibenzothiophenes, undergo nucleophilic aromatic substitution with anilines intermolecularly and then intramolecularly to yield the corresponding carbazoles in a single operation. The “aromatic metamorphosis” of dibenzothiophenes into carbazoles does not require any heavy metals. This strategy is also applicable to the synthesis of indoles. Since electron‐deficient thiaarene dioxides exhibit interesting reactivity, which is not observed for that the corresponding electron‐rich azaarenes, a combination of a thiaarene‐dioxide‐specific reaction with the SNAr‐based aromatic metamorphosis allows transition‐metal‐free construction of difficult‐to‐prepare carbazoles.
Binder‐free porous PEDOT electrodes for flexible supercapacitors
Authors: Zhao Qiang , Wang Guixin , Yan Kangping , Yan Jixin , Wang Jianzhong
Published: July 2015

Conducting polymers are attractive for potential applications in flexible electronic industries because of their unique advantages. To simplify the process of electrode preparation, porous poly(3,4‐ethylenedioxythiophene) (PEDOT) film electrodes without binder and conductive additive were synthesized facilely for flexible supercapacitors via an in situ solution micro polymerization at the surface of a soft etched tunnel aluminum (ETA) template at room temperature. The template was directly used as the current collector of electrodes. The morphologies of the samples and the template were compared using scanning electron microscopy (SEM), and the polymer molecular structure and composition were analyzed with Fourier‐transform infrared (FTIR) spectroscopy. Symmetric supercapacitors were assembled with the PEDOT electrodes, Celgard 2300 separator, and 1.0 M LiPF6/EC+DMC+EMC (1 : 1 : 1 in volume) electrolyte. The electrochemical performance was evaluated using different techniques like galvanostatic charging/discharging tests, cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS). The results from different current densities and scanning rates show the supercapacitors have good rate performance. The specific capacitance, energy density, and coulombic efficiency of the PEDOT supercapacitor can reach 69.0 F g−1 (or 103.0 F m−2), 24.0 Wh kg−1, and ∼95% at a current density of 0.2 A g−1, respectively. Furthermore, the PEDOT electrodes exhibit relatively good cycle performance, and the capacitance retention ratio is ∼72% after 1500 cycles. The electrode process was discussed. The results are comparable to that of the reported PEDOT, which indicates the applicability of the novel simple method of solution microreaction at the surface of a soft metal template to directly prepare binder‐free flexible electrodes. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42549.
Rational design and preparation of dibenzothiophene‐targeting molecularly imprinted polymers with molecular dynamics approaches and surface‐initiated activators regenerated by electron‐transfer atom‐transfer radical polymerization
Authors: Qiu Chunxiao , Yang Wenming , Zhou Zhiping , Yan Yongsheng , Xu Wanzhen
Published: July 2015

Nine molecular dynamic simulations of molecular‐imprinting prepolymerization systems were performed to investigate the effects of the type and concentration of crosslinkers (CLs) on key template (T)–functional monomer (FM) complexes. Subsequent analyses revealed that the system with divinylbenzene as the CL had the most stable T–FM complexes, and the mass percentage concentration of divinylbenzene in the prepolymerization system was 9.4%. Nine corresponding imprinted polymers were synthesized by the coupling of the surface‐initiated activator regenerated by electron‐transfer atom‐transfer radical polymerization technique with the hierarchical‐imprinting technique to validate the reliability of the simulation results. The structural properties of the optimal adsorbent were characterized by IR spectrophotometry, scanning electron microscopy, and nitrogen sorption measurements. The Langmuir isotherm fitted the equilibrium data best, and the kinetic data (within 30 min) were well described by the pseudo‐second‐order model. Meanwhile, the prepared adsorbent displayed a higher selectivity to dibenzothiophene compared with other analogs. Finally, the adsorbent was successfully applied for the deep desulfurization of the gasoline sample. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42629.
Changes in the Submandibular Salivary Gland Epithelial Cell Subpopulations During Progression of Sjögren's Syndrome‐Like Disease in the NOD/ShiLtJ Mouse Model
Authors: Gervais Elise M. , Desantis Kara A. , Pagendarm Nicholas , Nelson Deirdre A. , Enger Tone , Skarstein Kathrine , Liaaen Jensen Janicke , Larsen Melinda
Published: July 2015

Sjögren's syndrome (SS), an autoimmune exocrinopathy, is associated with dysfunction of the secretory salivary gland epithelium, leading to xerostomia. The etiology of SS disease progression is poorly understood as it is typically not diagnosed until late stage. Since mouse models allow the study of disease progression, we investigated the NOD/ShiLtJ mouse to explore temporal changes to the salivary epithelium. In the NOD/ShiLtJ model, SS presents secondary to autoimmune diabetes, and SS disease is reportedly fully established by 20 weeks. We compared epithelial morphology in the submandibular salivary glands (SMG) of NOD/ShiLtJ mice with SMGs from the parental strain at 12, 18, and 22 weeks of age and used immunofluorescence to detect epithelial proteins, including the acinar marker, aquaporin 5, ductal cell marker, cytokeratin 7, myoepithelial cell marker, smooth muscle α‐actin, and the basal cell marker, cytokeratin 5, while confirming immune infiltrates with CD45R. We also compared these proteins in the labial salivary glands of human SS patients with control tissues. In the NOD/ShiLtJ SMG, regions of lymphocytic infiltrates were not associated with widespread epithelial tissue degradation; however, there was a decrease in the area of the gland occupied by secretory epithelial cells in favor of ductal epithelial cells. We observed an expansion of cells expressing cytokeratin 5 within the ducts and within the smooth muscle α‐actin+ basal myoepithelial population. The altered acinar/ductal ratio within the NOD/ShiLtJ SMG likely contributes to salivary hypofunction, while the expansion of cytokeratin 5 positive‐basal cells may reflect loss of function or indicate a regenerative response. Anat Rec, 298:1622–1634, 2015. © 2015 Wiley Periodicals, Inc.
Histological and Histometric Evaluation of the Liver in Astyanax Bimaculatus (Teleostei: Characidae), Exposed to Different Concentrations of an Organochlorine Insecticide
Authors: Marcon Lucas , Bazzoli Nilo , Honor Mounteer Ann , Anjos Benjamin Laércio Dos
Published: July 2015

To investigate possible morphological changes to the liver tissue of lambaris, Astyanax bimaculatus (Linnaeus, 1758), females were exposed to treatments of sublethal concentrations of the insecticide Thiodan® for 96 hr. Treatments included three sublethal concentrations of 1.15, 2.3, and 5.6 μg L−1 of Thiodan® and a control group without insecticide. The action of Thiodan® at sublethal concentrations did not affect the morphological structure of the liver as a whole, but changes in isolated locations of the hepatic parenchyma were observed. Glycogen depletion, nuclear and cytoplasmic deformation, nuclear and cytoplasmic hypertrophy, hyperemia, and cellular degeneration in liver cells at the different concentrations studied were recorded. These observed changes in the livers were greater in groups exposed to Thiodan® in comparison to the control group. Furthermore, there was a change in the diameter of the nuclei and cytoplasm of hepatocytes in the different treatments. The groups exposed to Thiodan® also exhibited a larger number of hepatocyte nuclei and a reduction in the amount of cytoplasm. We conclude that for the exposure period and concentrations of Thiodan® analyzed, the morphology of hepatic tissue had a cellular adaptive response. Anat Rec, 298:1754–1764, 2015. © 2015 Wiley Periodicals, Inc.
Millimeter waves as a source of selective heating of skin
Authors: Zhadobov Maxim , Alekseev Stanislav I. , Le Dréan Yves , Sauleau Ronan , Fesenko Evgeny E.
Published: July 2015

This study demonstrates that 20–100 GHz range can be used for spatially‐accurate focusing of heating inside the skin achieved by varying frequency and exposure beam size, as well as by enforcing air convection. The latter is also used to reduce overheating of skin surface. Heating at different skin depths depending on these parameters is investigated in detail using the hybrid bio‐heat equation. In particular, it is shown that decreasing frequency and/or increasing exposure beam size at forced airflow result in elevation of heating of deeper layers of tissue and decrease of skin surface temperature. Changes of water content within 15%, which exceed those due to aging and presence of tumors, only slightly affect heating. Exposure intensity necessary to reach a target temperature significantly increases in different areas of body with elevated blood flow. Dependence on exposure intensity and hyperthermia treatment duration is also investigated and discussed. Results of this study suggest that the lower part of the millimeter‐wave range is an attractive alternative for non‐invasive thermal treatment of skin cancer with a high spatial resolution. Bioelectromagnetics. 36:464–475, 2015. © 2015 Wiley Periodicals, Inc.
Compartment‐specific metabolomics for CHO reveals that ATP pools in mitochondria are much lower than in cytosol
Authors: Matuszczyk Jens‐Christoph , Teleki Attila , Pfizenmaier Jennifer , Takors Ralf
Published: July 2015

Mammalian cells show a compartmented metabolism. Getting access to subcellular metabolite pools is of high interest to understand the cells' metabolomic state. Therefore a protocol is developed and applied for monitoring compartment‐specific metabolite and nucleotide pool sizes in Chinese hamster ovary (CHO) cells. The approach consists of a subtracting filtering method separating cytosolic components from physically intact mitochondrial compartments. The internal standards glucose‐6‐phosphate and cis‐aconitate were chosen to quantify cytosolic secession and mitochondrial membrane integrity. Extracts of related fractions were studied by liquid chromatography‐isotope dilution mass spectrometry for the absolute quantification of a subset of glycolytic and tricarboxylic acid cycle intermediates together with the adenylate nucleotides ATP, ADP and AMP. The application of the protocol revealed highly dynamic changes in the related pool sizes as a function of distinct cultivation periods of IgG1 producing CHO cells. Mitochondrial and cytosolic pool dynamics were in agreement with anticipated metabolite pools of independent studies. The analysis of adenosine phosphate levels unraveled significantly higher ATP levels in the cytosol leading to the hypothesis that mitochondria predominantly serve for fueling ATP into the cytosol where it is tightly controlled at physiological adenylate energy charges about 0.9.
A truncated and dimeric format of an Affibody library on bacteria enables FACS‐mediated isolation of amyloid‐beta aggregation inhibitors with subnanomolar affinity
Authors: Lindberg Hanna , Härd Torleif , Löfblom John , Ståhl Stefan
Published: July 2015

The amyloid hypothesis suggests that accumulation of amyloid β (Aβ) peptides in the brain is involved in development of Alzheimer's disease. We previously generated a small dimeric affinity protein that inhibited Aβ aggregation by sequestering the aggregation prone parts of the peptide. The affinity protein is originally based on the Affibody scaffold, but is evolved to a distinct interaction mechanism involving complex structural rearrangement in both the Aβ peptide and the affinity proteins upon binding. The aim of this study was to decrease the size of the dimeric affinity protein and significantly improve its affinity for the Aβ peptide to increase its potential as a future therapeutic agent. We combined a rational design approach with combinatorial protein engineering to generate two different affinity maturation libraries. The libraries were displayed on staphylococcal cells and high‐affinity Aβ‐binding molecules were isolated using flow‐cytometric sorting. The best performing candidate binds Aβ with a KD value of around 300 pM, corresponding to a 50‐fold improvement in affinity relative to the first‐generation binder. The new dimeric Affibody molecule was shown to capture Aβ1‐42 peptides from spiked E. coli lysate. Altogether, our results demonstrate successful engineering of this complex binder for increased affinity to the Aβ peptide.
Preparation of Ionic Liquid‐modified SBA‐15 Doped with Molybdovanadophosphoric Acid for Oxidative Desulfurization
Authors: Zhuang Jiangzhou , Jin Xiaoyin , Shen Xianlin , Tan Junjun , Nie Longhui , Xiong Jian , Hu Bing
Published: July 2015

A series of catalysts, ionic liquid‐modified SBA‐15 (denoted ILSBA) doped with H5PMo10V2O40 (HPMoV2) have been synthesized and characterized by XRD, FT‐IR, 1H NMR, TG‐DTA, and TEM. The catalyst was used for the removal of dibenzothiophene (DBT) in model oil combined with hydrogen peroxide (the oxidant) and acetonitrile (the phase‐transfer agent). It was observed that the sulfur content of DBT can be reduced from 500 to 2 ppm by adjusting the amount of catalyst, the reaction temperatures and the reaction time. Besides, the catalyst activity for different sulfur compounds showed a huge difference which may be mainly affected by the electron densities of sulfur atom. Moreover, the catalyst can be recycled seven times without a significant loss in activity, which could be ascribed to the strong electrostatic interaction between ILSBA and HPMoV2. In addition, a postulated mechanism was proposed to reveal the oxidative desulfurization process.
Copper‐catalyzed Oxidative Olefination of Thiols Using Sulfones and Phosphorous Ylides
Authors: Shyam Pranab K. , Lee Chan , Jang Hye‐Young
Published: July 2015

Copper‐catalyzed one‐pot conversion of thiols to olefins was conducted under aerobic conditions. Thiols were oxidized to generate thioaldehydes, which reacted with sulfones or phosphorous ylides to form the corresponding olefins. The formation of thiosulfonates and phosphorous sulfides confirms that these olefination protocols proceed via thioaldehyde‐sulfone and thioaldehyde‐ylide adducts.
Morphology‐controlled Synthesis of Octahedral‐to‐Rhombic Dodecahedral Cu2O Microcrystals and Shape‐dependent Antibacterial Activities
Authors: Jung Hye‐Yun , Seo Youngsik , Park Heonyong , Huh Young‐Duk
Published: July 2015

Morphology‐controlled synthesis of cuprous oxide (Cu2O) microcrystal was achieved using a solvothermal method. The morphologies of the Cu2O microcrystals, namely octahedral, truncated octahedral, truncated rhombic dodecahedral, and rhombic dodecahedral, were fine‐tuned by varying the oleylamine and sodium oleate concentrations. Only the {111} and {110} facets of the Cu2O microcrystals were involved in this morphological transition. Octahedral Cu2O microcrystals were obtained in the absence of oleylamine and at the highest sodium oleate concentration. Rhombic dodecahedral Cu2O microcrystals were obtained at the highest oleylamine concentration or at the lowest sodium oleate concentration. The rhombic dodecahedron, which exposed only the {110} facets, exhibited better antibacterial activities against Escherichia coli compared to the octahedron, which exposed only the {111} facets.
MSEP and CoMFA Studies on the Melting Points of Nitroaromatic Compounds
Authors: Park Hyeong Yeon , Li Jun , Park Byung‐Ho , Kim Chan Kyung
Published: July 2015

A 3D quantitative structure–property relationship (3D‐QSPR) study was performed to predict the melting points of 51 nitroaromatic compounds using the molecular surface electrostatic potential (MSEP) approach developed by the authors and comparative molecular field analysis (CoMFA) implemented in the SYBYL package. The structures of all 51 compounds were optimized using the hybrid density functional theory (DFT) at the B3LYP/6‐31G(d) level of theory. In both approaches, 46 compounds were assigned as the training set and the rest as the test set. In the MSEP approach, a multiple linear regression (MLR) equation was obtained to estimate the melting points of the training set molecules using five descriptors. The best CoMFA results presented a cross‐validated value (q
2) of 0.615, and non‐cross‐validated value (r
2) of 0.978. The melting points of five test‐set molecules were predicted from the MLR and partial least squares (PLS) equations obtained from the MSEP and CoMFA approaches, respectively. This study shows that the CoMFA approach can be applied to estimate the melting point and some other physicochemical properties of high energy density materials (HEDMs) with reasonable accuracy if there are structural similarities in the dataset.
Design and Synthesis of New [1,2,3]Triazolo[4,5‐d]pyrimidine Derivatives as Potential Antiproliferative Agents
Authors: Elkamhawy Ahmed , Al‐Sanea Mohammad M. , Song Chiman , Sim Taebo , Roh Eun Joo
Published: July 2015

A new series possessing [1,2,3]triazolo[4,5‐d]pyrimidine scaffold was synthesized and biologically evaluated for potential antiproliferative activity. Fourteen compounds were selected for in vitro anticancer assay over a panel of 60 cell lines at National Cancer Institute (NCI), USA. The most sensitive cell lines to the synthesized compounds were leukemia (K‐562 and SR), nonsmall cell lung cancer HOP‐92, and melanoma MDA‐MB‐435. Compounds 12 and 24 exerted broad spectrum activity against most cell panel, while compounds 14, 21, and 23 exhibited effectiveness toward specific cell lines belong to different tumor subpanels. Accordingly, SAR, COMPARE analyses, and in silico ADME profiling were discussed for the target compounds. In addition, compounds 11 and 22 exerted good FGFR3 inhibitory activity with 58.8 and 46.7% at 100 μM, respectively. Taken as a whole, the present study revealed that the new series can be considered as promising lead for further development of more potent anticancer agents as well as FGFR3 kinase potential inhibitors.
FeF3 Nanoparticles Embedded in Activated Carbon Foam (ACF) as a Cathode Material with Enhanced Electrochemical Performance for Lithium Ion Batteries
Authors: Kim Yong Kyung , Lee Jung Kyoo , Kim Jongsik
Published: July 2015

Iron trifluoride (FeF3
) has been actively studied as an alternative cathode material due to its cost effectiveness, low toxicity, and high theoretical capacities of 237 and 712 mAhg
−1 at 2.0−4.5 V and 1.5−4.5 V, respectively. In spite of these advantages, FeF3
has serious shortcomings of poor electronic conductivity and a slow diffusion rate of lithium ions, leading to a lower reversible specific capacity than its theoretical value. In this work, we prepared FeF3
/activated carbon foam (ACF) nanocomposites by impregnating FeF3
nanoparticles in the mesoporous ACF. The FeF3
/ACF nanocomposites showed improved electrochemical performances compared to bulk FeF3
. For example, the FeF3
/ACF nanocomposites showed an initial discharge capacity of 195 mAhg
−1 at 0.1 C with a capacity retention of ~93% during 50 cycles in the voltage range 2.0−4.5 V. The cycling stability at 1.5−4.5 V was also superior to that of bulk FeF3
.
The Impact of Model Peptides on Structural and Dynamic Properties of Egg Yolk Lecithin Liposomes – Experimental and DFT Studies
Authors: Wałęsa Roksana , Man Dariusz , Engel Grzegorz , Siodłak Dawid , Kupka Teobald , Ptak Tomasz , Broda Małgorzata A.
Published: July 2015

Electron spin resonance (ESR), 1H‐NMR, voltage and resistance experiments were performed to explore structural and dynamic changes of Egg Yolk Lecithin (EYL) bilayer upon addition of model peptides. Two of them are phenylalanine (Phe) derivatives, Ac‐Phe‐NHMe (1) and Ac‐Phe‐NMe2 (2), and the third one, Ac‐(Z)‐ΔPhe‐NMe2 (3), is a derivative of (Z)‐α,β‐dehydrophenylalanine. The ESR results revealed that all compounds reduced the fluidity of liposome's membrane, and the highest activity was observed for compound 2 with N‐methylated C‐terminal amide bond (Ac‐Phe‐NMe2). This compound, being the most hydrophobic, penetrates easily through biological membranes. This was also observed in voltage and resistance studies. 1H‐NMR studies provided a sound evidence on H‐bond interactions between the studied diamides and lecithin polar head. The most significant changes in H‐atom chemical shifts and spin‐lattice relaxation times T1 were observed for compound 1. Our experimental studies were supported by theoretical calculations. Complexes EYLAc‐Phe‐NMe2 and EYLAc‐(Z)‐ΔPhe‐NMe2, stabilized by NH⋅⋅⋅O or/and CH⋅⋅⋅O H‐bonds were created and optimized at M06‐2X/6‐31G(d) level of theory in vacuo and in H2O environment. According to our molecular‐modeling studies, the most probable lecithin site of H‐bond interaction with studied diamides is the negatively charged O‐atom in phosphate group which acts as H‐atom acceptor. Moreover, the highest binding energy to hydrocarbon chains were observed in the case of Ac‐Phe‐NMe2 (2).
Antioxidant Capacity and Chemical Profiles of Satureja montana L. Honey: Hotrienol and Syringyl Derivatives as Biomarkers
Authors: Jerković Igor , Tuberoso Carlo I. G. , Marijanović Zvonimir , Kranjac Marina , Malenica‐Staver M.
Published: July 2015

The present study is focused on the antioxidant capacity and chemical profiling of eight Croatian Satureja montana L. honey samples. Among the 20 compounds obtained by headspace solid‐phase microextraction (HS‐SPME) and identified by GC‐FID and GC/MS analyses, hotrienol was predominant (75.9–81.7%). The honey matrix volatile/semivolatile profile was investigated by ultrasonic solvent extraction (USE) followed by GC‐FID and GC/MS analyses. The major compounds identified by this latter method were the sinapic‐acid derivatives methyl syringate (36.2–72.8%) and syringaldehyde (2.2–43.1%). Direct, targeted HPLC‐DAD analyses of the native honey samples revealed the presence of methyl syringate (7.10–39.60 mg/kg) and syringic acid (0.10–1.70 mg/kg). In addition, the total phenolic content of the samples was determined by the FolinCiocalteu assay (311.0–465.9 mg GAE/kg), and the antioxidant capacity was evaluated by the DPPH radical‐scavenging activity (0.5–1.0 mmol TEAC/kg) and the ferric reducing antioxidant power (2.5–5.1 mmol Fe2+/kg).
Antibacterial Δ1‐3‐Ketosteroids from the South China Sea Gorgonian Coral Subergorgia rubra
Authors: Sun Xue‐Ping , Cao Fei , Shao Chang‐Lun , Wang Mei , Zhang Xiu‐Li , Wang Chang‐Yun
Published: July 2015

Three new Δ1‐3‐ketosteroids characterized with a 9‐OH, subergosterones A–C (1–3), together with five known analogs 4–8, were obtained from the gorgonian coral Subergorgia rubra collected from the South China Sea. The structures of 1–3, including their absolute configurations, were determined by comprehensive spectroscopic methods and electronic circular dichroism (ECD) experiments. Compounds 2 and 3 exhibited inhibitory antibacterial activities against Bacillus cereus with MIC values of 1.56 μM.
Two‐Parameter Continuation and Bifurcation Strategies for Oscillatory Behavior Elimination from a Zymomonas mobilis Fermentation System
Authors: Mustafa Ibrahim H. I.
Published: July 2015

Two‐parameter continuation and bifurcation analysis strategies were applied to deal with the oscillatory phenomena of a Zymomonas mobilis ethanol fermentation system. A structured verified non‐linear mathematical model considering the physiological limitations of microorganisms for a single continuous fermenter for ethanol production using Z. mobilis was built to identify the Hopf bifurcation (HB) points, which indicate the oscillatory behavior, using the inlet substrate concentration and the dilution rate as bifurcation parameters. The path of the HB points can be determined with different controlling operating parameters. It was found that with the addition of a small amount of cells or ethanol to the feed stream or by increasing the dilution rate, the oscillations could be eliminated and steady‐state behavior was attained. Using a two‐parameter continuation strategy, the Z. mobilis fermentation system could operate at steady state without oscillatory behavior.
Composition Dependence of Lithium Diffusion in Lithium Silicide: A Density Functional Theory Study
Authors: Wang Zhiguo , Su Qiulei , Deng Huiqiu , Fu Yongqing
Published: July 2015

The lithiation process of silicon was investigated by using ab initio molecular dynamics. Diffusion coefficients of Li in Li–Si alloys were calculated to be in the range between 2.08×10−9 and 3.53×10−7 cm2 s−1 at room temperature. The results showed that the Li mobility is strongly dependent on the composition of the LixSi alloys. The Li diffusivity in a LixSi alloy can be enhanced by two orders of magnitude when x is increased from 1.0 to 3.75, which can be explained by the instability of the Si network, owing to charge transfer from Li to Si.
ChemInform Abstract: Phosphorescence Behavior and Photoluminescence Mechanism of Dy3+ Sensitized β‐Zn3(PO4)2: Mn2+ Phosphor.
Authors: Xie Ting , Guo Hongxu , Zhang Junying , Odetola Christopher , He Yuneng , Lin Heng , Chen Guoliang , Zheng Zishan
Published: July 2015

The red long persistent phosphor (LPP) β‐Zn3(PO4)2: Mn2+,Dy3+ is precipitated by addition of NH4OH to an aqueous or HNO3 solution of ZnO, MnCO3, (NH4)2HPO4, and Dy2O3 followed by sintering in a thermal‐carbon reducing atmosphere (corundum crucible, 1223 K, 3 h).
ChemInform Abstract: FeSe2 Microspheres as a High‐Performance Anode Material for Na‐Ion Batteries.
Authors: Zhang Kai , Hu Zhe , Liu Xue , Tao Zhanliang , Chen Jun
Published: July 2015

FeSe2 microspheres composed of numerous nanooctahedra are hydrothermally synthesized from aqueous mixtures of Fe(NH4)2(SO4)2, Se, citric acid, and N2H4 (autoclave, 180 °C, 12 h).
ChemInform Abstract: Ammonothermal Synthesis and Characterization of Li4[Zn(NH2)4](NH2)2.
Authors: Richter Theresia M. M. , Alt Nicolas S. A. , Schluecker Eberhard , Niewa Rainer
Published: July 2015

Single crystals (3 mm length) of Li4[Zn(NH2)4](NH2)2 are obtained from Li and Zn, (ratio of 1:4—1:5) in supercritical NH3 (autoclave, 158 MPa, 723 K).
ChemInform Abstract: Synthesis, Crystal Structure, Optical, Magnetic and Thermal Properties of (NH4)2Mn [B2P3O11(OH)2]Cl.
Authors: Foerg Katharina , Hoeppe Henning A.
Published: July 2015

(NH4)2MnII [B2P3O11(OH)2]Cl is prepared by the reaction of MnCl2, (NH4)2HPO4, H3BO3, and H3PO4 under hydrothermal conditions (autoclave, 180 °C, 8 d).
ChemInform Abstract: Cracking the Dumbbell — From (NO)4[Pt2(SO4)5] to (NO)2[Pt(S2O7)3] by Oxidation with SO3.
Authors: Bruns Joern , Niehaus Oliver , Poettgen Rainer , Wickleder Mathias S.
Published: July 2015

(NO)4[Pt2(SO4)5] (I) is obtained by the reaction of elemental Pt, oleum (65% SO3), and fuming HNO3 (sealed glass ampoules, 350 °C, 2 d; cooling to 25 °C within 79 h).
ChemInform Abstract: Radical Aminooxygenation of Alkenes with N‐Fluoro‐benzenesulfonimide (NFSI) and TEMPONa.
Authors: Li Yi , Hartmann Marcel , Daniliuc Constantin Gabriel , Studer Armido
Published: July 2015

Various alkenes react with commercially available NFSI (II) and TEMPONa (III) via amidyl radical addition followed by TEMPO trapping giving the corresponding aminooxygenation products.
ChemInform Abstract: Gallium(III)‐ and Calcium(II)‐Catalyzed Meyer—Schuster Rearrangements Followed by Intramolecular Aldol Condensation or endo‐Michael Addition.
Authors: Presset M. , Michelet B. , Guillot R. , Bour C. , Bezzenine‐Lafollee S. , Gandon V.
Published: July 2015

The first Ga‐ and Ca‐catalyzed Meyer—Schuster rearrangement reactions are described.
ChemInform Abstract: Efficient Cu‐Catalyzed Atom Transfer Radical Addition (ATRA) Reactions of Fluoroalkylsulfonyl Chlorides with Electron‐Deficient Alkenes Induced by Visible Light.
Authors: Tang Xiao‐Jun , Dolbier William R. Jr.
Published: July 2015

The copper‐catalyzed photochemical ATRA reaction with fluoroalkylsulfonyl chlorides furnishes α‐chloro‐β‐fluoroalkylcarbonyl compounds in excellent yields under mild conditions.
ChemInform Abstract: Chiral (Cyclopentadienone)iron Complexes for the Catalytic Asymmetric Hydrogenation of Ketones.
Authors: Gajewski Piotr , Renom‐Carrasco Marc , Facchini Sofia Vailati , Pignataro Luca , Lefort Laurent , de Vries Johannes G. , Ferraccioli Raffaella , Forni Alessandra , Piarulli Umberto , Gennari Cesare
Published: July 2015

New BINOL‐derived chiral (cyclopentadienone)iron complexes are prepared which display high stability to air, moisture, and chromatography.
ChemInform Abstract: Synthesis of 2‐Acylphenol and Flavene Derivatives from the Ruthenium‐Catalyzed Oxidative C—H Acylation of Phenols with Aldehydes.
Authors: Lee Hanbin , Yi Chae S.
Published: July 2015

The cationic ruthenium hydride complex catalyzes the oxidative C‐H coupling of phenols with aldehydes to furnish 2‐acylphenols, whereas the reaction of phenols with α,β‐unsaturated aldehydes affords flavene derivatives selectively.
ChemInform Abstract: Selective Heck Reaction of Electron‐Rich Aryl Bromides with Cyclic Alkenones.
Authors: Gowala Tarak Nath , Pabba Jagadish
Published: July 2015

Heck arylation of cyclic α‐enones as well as α,β‐unsaturated lactones with aryl bromides is performed using a palladium catalyst.
ChemInform Abstract: Catalytic Asymmetric Hydroalkenylation of Vinylarenes: Electronic Effects of Substrates and Chiral N‐Heterocyclic Carbene Ligands.
Authors: Ho Chun‐Yu , Chan Chun‐Wa , He Lisi
Published: July 2015

The asymmetric cross‐hydroalkenylation of vinylarenes with terminal olefins in the presence of NiH complexes bearing various chiral N‐heterocyclic carbenes (NHCs) is studied.
ChemInform Abstract: Palladium‐Catalyzed Oxidative Aminocarbonylation by Decarboxylative Coupling: Synthesis of Alkynyl Amides.
Authors: Hwang Jinil , Choi Jinseop , Park Kyungho , Kim Wonyoung , Song Kwang Ho , Lee Sunwoo
Published: July 2015

Palladium‐catalyzed aminocarbonylation for the synthesis of alkynyl amides from the coupling reactions of alkynyl carboxylic acids, amines, and carbon monoxide is reported.
ChemInform Abstract: A General and Mild Catalytic α‐Alkylation of Unactivated Esters Using Alcohols.
Authors: Guo Le , Ma Xiaochen , Fang Huaquan , Jia Xiangqing , Huang Zheng
Published: July 2015

In the presence of a NCP pincer/Ir catalyst, alcohols alkylate unactivated α‐substituted acyclic esters, lactones, and even methyl and ethyl acetates with water as a by‐product.
ChemInform Abstract: A Highly Efficient Heterogeneous Rhodium(I)‐Catalyzed C—S Coupling Reaction of Thiols with Polychloroalkanes or Alkyl Halides under Mild Conditions.
Authors: Xia Jianhui , Yao Ruiya , Cai Mingzhong
Published: July 2015

A MCM‐41‐supported rhodium(I) complex is used as a catalyst for the coupling reaction of thiols with polychloroalkanes (II) or alkyl halides (IV).
ChemInform Abstract: Cooperative Catalysis of Noncompatible Catalysts Through Compartmentalization: Wacker Oxidation and Enzymatic Reduction in a One‐Pot Process in Aqueous Media.
Authors: Sato Hirofumi , Hummel Werner , Groeger Harald
Published: July 2015

A Wacker oxidation using CuCl/PdCl2 as the catalyst system is successfully combined with enzymatic ketone reduction to convert styrene enantioselectively into 1‐phenylethanol in a one‐pot process, although the two reactions conducted in aqueous media are not compatible due to enzyme deactivation by Cu ions.
ChemInform Abstract: Direct Allylation of Quinones with Allylboronates.
Authors: Deng Hong‐Ping , Wang Dong , Szabo Kalman J.
Published: July 2015

The utility of this reaction is demonstrated by a short synthesis of hemitectol (XII).
ChemInform Abstract: Zinc(II)‐Catalyzed Intermolecular Hydrative Aldol Reactions of 2‐En‐1‐ynamides with Aldehydes and Water to Form Branched Aldol Products Regio‐ and Stereoselectively.
Authors: Jadhav Appaso Mahadev , Pagar Vinayak Vishnu , Huple Deepak B. , Liu Rai‐Shung
Published: July 2015

Besides the 2‐en‐1‐ynamides, the ynamides (XIII) and (XV) can also be used as suitable substrates.
ChemInform Abstract: Structure—Reactivity Relationship of Trifluoromethanesulfenates: Discovery of an Electrophilic Trifluoromethylthiolating Reagent.
Authors: Shao Xinxin , Xu Chunfa , Lu Long , Shen Qilong
Published: July 2015

A series of eight trifluoromethanesulfenates is prepared as trifluoromethylthiolating agents.
ChemInform Abstract: High Activity and Stability in the Cross‐Coupling of Aryl Halides with Disulfides over Cu‐Doped Hierarchically Porous Zeolite ZSM‐5.
Authors: Fu Wenqian , Liu Taotao , Fang Zhongxue , Ma Yuli , Zheng Xiang , Wang Wenchang , Ni Xiaojun , Hu Maolin , Tang Tiandi
Published: July 2015

The activity of the catalytic system is attributed to the structural characteristics of meso‐macropores and homogeneous dispersion of active Cuδ+ (δ<2) species in Cu‐ZSM‐5.
ChemInform Abstract: Monocarboxylation and Intramolecular Coupling of Butenylated Arenes via Palladium‐Catalyzed C—H Activation Process.
Authors: Liu Rui , Lu Ze‐Hai , Hu Xiao‐Hui , Li Jun‐Li , Yang Xian‐Jin
Published: July 2015

A wide range of 2‐tetralyl carboxylic esters are synthesized by Pd‐catalyzed tandem carboxylation and direct intramolecular coupling using Selectfluor as oxidant under mild reaction conditions.
ChemInform Abstract: Stimuli‐Responsive Cyclopenta[ef]heptalenes: Synthesis and Optical Properties.
Authors: Ghazvini Zadeh Ebrahim H. , Woodward Adam W. , Richardson David , Bondar Mykhailo V. , Belfield Kevin D.
Published: July 2015

A new approach to cyclopenta[ef]heptalenes (III) from naturally occurring guaiazulene is reported.
ChemInform Abstract: Divergent Cascade Construction of Skeletally Diverse “Privileged” Pyrazole‐Derived Molecular Architectures.
Authors: Zhang Wannian , et al.
Published: July 2015

The enantioselective reaction of pyrazolones with α,β‐unsaturated aldehydes is improved using diarylsilylprolinol as the catalyst.
ChemInform Abstract: Synthesis of Functionalized γ‐Lactones via a Three‐Component Cascade Reaction Catalyzed by Consecutive N‐Heterocyclic Carbene Systems.
Authors: Zhao Qian , Han Bo , Wang Biao , Leng Hai‐Jun , Peng Cheng , Huang Wei
Published: July 2015

The first NHC‐catalyzed [3+2] annulation of α,β‐unsaturated acylazoliums with 1,2‐bisnucleophiles is described which proceeds efficiently starting from aryl aldehydes, but is not applicable to the transformation of alkyl aldehydes.
ChemInform Abstract: Asymmetric Organocatalytic Aza‐Michael Reactions of Isatin Derivatives.
Authors: Zari Sergei , Metsala Andrus , Kudrjashova Marina , Kaabel Sandra , Jaerving Ivar , Kanger Tonis
Published: July 2015

A Schiff base isatin derivative serves as the substrate for the title reaction with unsaturated 1,4‐diketones and depending on the diketone substituents the products are obtained with high to excellent yields and moderate to high enantioselectivities.
ChemInform Abstract: Broensted Acid Catalyzed Asymmetric Diels—Alder Reactions: Stereoselective Construction of Spiro[tetrahydrocarbazole‐3,3′‐oxindole] Framework.
Authors: Wang Yang , Tu Man‐Su , Yin Lei , Sun Meng , Shi Feng
Published: July 2015

Unless otherwise mentioned the products are obtained with <95:5 d.r.
ChemInform Abstract: Enantioselective Construction of Cyclic Indolyl α‐Amino Esters via a Friedel—Crafts Alkylation Reaction.
Authors: Wu Liang , Liu Ren‐Rong , Zhang Guoqi , Wang Dan‐Jie , Wu Hao , Gao Jianrong , Jia Yi‐Xia
Published: July 2015

The reactions of indoles and cyclic N‐sulfonyl α‐ketimino esters are catalyzed by a chiral Cu(OTf)2‐bisoxazoline complex and give the products in high yields and excellent enantioselectivities.
ChemInform Abstract: Enantioselective Synthesis of Functionalized Pyrazoles by NHC‐Catalyzed Reaction of Pyrazolones with α,β‐Unsaturated Aldehydes.
Authors: Yetra Santhivardhana Reddy , Mondal Santigopal , Suresh Eringathodi , Biju Akkattu T.
Published: July 2015

Conditions for the reaction of 3‐aryl, alkyl, or arenyl 1‐tert‐butyl‐4,5‐dihydro‐1H‐pyrazol‐5‐ones with 3‐aryl or 3‐alkyl propenals to form pyranone‐fused pyrazoles are developed, and the products are obtained with high yields and high enantioselectivities.
ChemInform Abstract: Access to Coumarins by Rhodium‐Catalyzed Oxidative Annulation of Aryl Thiocarbamates with Internal Alkynes.
Authors: Zhao Yingwei , Han Feng , Yang Lei , Xia Chungu
Published: July 2015

A wide range of 3,4‐disubstituted coumarins are efficiently obtained by exploitation of a thiocarbamate group directed C—H bond activation, an annulation with an alkyne, and a desulfurization.
ChemInform Abstract: A Cascade Aza‐Cope/Aza‐Prins Cyclization Leading to Piperidine Derivatives.
Authors: Nallasivam Jothi L. , Fernandes Rodney A.
Published: July 2015

A novel cascade aza‐Cope/aza‐Prins cyclization of homoallylamines (I) with formaldehyde and glyoxylic acid derivatives to give N‐substituted 4‐hydroxypiperidines is investigated.
ChemInform Abstract: Synthesis of 2,4‐Diarylsubstituted‐Pyridines Through a Ru‐Catalyzed Four Component Reaction.
Authors: Bai Yang , Tang Lichang , Huang Huawen , Deng Guo‐Jun
Published: July 2015

Starting from acetophenones, DMF, and ammonium acetate the title reaction is performed.
ChemInform Abstract: Visible Light Mediated sp3 C—H Bond Functionalization of N‐Aryl‐1,2,3,4‐tetrahydroisoquinolines via Ugi‐Type Three‐Component Reaction.
Authors: Chen Yunyun , Feng Gaofeng
Published: July 2015

24 examples
ChemInform Abstract: Chitosan Catalyzed an Efficient, One Pot Synthesis of Pyridine Derivatives.
Authors: Siddiqui Zeba N.
Published: July 2015

A facile solvent‐free protocol for the reaction of β‐enaminone (II) with a variety of active methylene compounds and ammonium acetate to afford pyridine derivatives in excellent yields is developed.
ChemInform Abstract: Metal‐Free Oxidative Functionalization of a C(sp3)—H Bond Adjacent to Nitrogen and Intramolecular Aromatic Cyclization for the Preparation of 6‐Amidophenanthridines.
Authors: Fang Hong , Zhao Jincan , Ni Shengyang , Mei Haibo , Han Jianlin , Pan Yi
Published: July 2015

Amidophenanthridines are prepared from isocyanobiphenyls and amides via oxidative radical C—H bond functionalization and cyclization using tert‐butyl peroxybenzoate as oxidant.
ChemInform Abstract: Rhodium‐Catalyzed 1,4‐Addition of Arylboronic Acids to 3‐Benzylidene‐1H‐pyrrolo[2,3‐b]pyridin‐2(3H)‐one Derivatives.
Authors: Croix Cecile , Prie Gildas , Chaulet Charlotte , Viaud‐Massuard Marie‐Claude
Published: July 2015

Ortho‐substituted aryl‐ as well as pyridylboronic acids do not react.
ChemInform Abstract: Expedient Synthesis of Pyrroloquinolinones by Rh‐Catalyzed Annulation of N‐Carbamoyl Indolines with Alkynes Through a Directed C—H Functionalization/C—N Cleavage Sequence.
Authors: Yang Xiao‐Fei , Hu Xu‐Hong , Loh Teck‐Peng
Published: July 2015

Various pyrroloquinolinone derivatives are efficiently obtained under redox neutral conditions without use of an external oxidant.
ChemInform Abstract: [4 + 2] Cycloaddition of in situ Generated 1,2‐Diaza‐1,3‐dienes with Simple Olefins: Facile Approaches to Tetrahydropyridazines.
Authors: Zhong Xingren , Lv Jian , Luo Sanzhong
Published: July 2015

A wide range of 1,4,5,6‐tetrahydropyridazines are obtained in high yields via a catalyst‐free [4 + 2] annulation process under and mild reaction conditions.
ChemInform Abstract: An Efficient Catalyst‐Free Chemoselective Multicomponent Reaction for the Synthesis of Pyrimidine Functionalized Pyrrolo‐Anellated Derivatives.
Authors: Dommaraju Yuvaraj , Borthakur Somadrita , Rajesh Nimmakuri , Prajapati Dipak
Published: July 2015

A wide range of the title compounds are obtained by catalyst‐free, one‐pot chemoselective multicomponent domino reaction under mild reaction conditions.