bluuebunny/crossref_metadata_2025 huggingface dataset:
Hierarchical Co‐Assembly Enhanced Direct Ink Writing
Authors: Li Longyu , Zhang Pengfei , Zhang Zhiyun , Lin Qianming , Wu Yuyang , Cheng Alexander , Lin Yunxiao , Thompson Christina M. , Smaldone Ronald A. , Ke Chenfeng
Published: March 2018

Integrating intelligent molecular systems into 3D printing materials and transforming their molecular functions to the macroscale with controlled superstructures will unleash great potential for the development of smart materials. Compared to macromolecular 3D printing materials, self‐assembled small‐molecule‐based 3D printing materials are very rare owing to the difficulties of facilitating 3D printability as well as preserving their molecular functions macroscopically. Herein, we report a general approach for the integration of functional small molecules into 3D printing materials for direct ink writing through the introduction of a supramolecular template. A variety of inorganic and organic small‐molecule‐based inks were 3D‐printed, and their superstructures were refined by post‐printing hierarchical co‐assembly. Through spatial and temporal control of individual molecular events from the nano‐ to the macroscale, fine‐tuned macroscale features were successfully installed in the monoliths.
A Paper Sensor Printed with Multifunctional Bio/Nano Materials
Authors: Hui Christy Y. , Liu Meng , Li Yingfu , Brennan John D.
Published: March 2018

We report a paper‐based aptasensor platform that uses two reaction zones and a connecting bridge along with printed multifunctional bio/nano materials to achieve molecular recognition and signal amplification. Upon addition of analyte to the first zone, a fluorescently labelled DNA or RNA aptamer is desorbed from printed graphene oxide, rapidly producing an initial fluorescence signal. The released aptamer then flows to the second zone where it reacts with printed reagents to initiate rolling circle amplification, generating DNA amplicons containing a peroxidase‐mimicking DNAzyme, which produces a colorimetric readout that can be read in an equipment‐free manner or with a smartphone. The sensor was demonstrated using an RNA aptamer for adenosine triphosphate (a bacterial marker) and a DNA aptamer for glutamate dehydrogenase (Clostridium difficile marker) with excellent sensitivity and specificity. These targets could be detected in spiked serum or feacal samples, demonstrating the potential for testing clinical samples.
Emulsion‐polymerized polyindole nanoparticles and their electrorheology
Authors: Park In Hye , Kwon Seung Hyuk , Choi Hyoung Jin
Published: March 2018

Polyindole (PIn) nanoparticles were synthesized through an emulsion polymerization technique in this study and then examined as an anhydrous semi‐conducting electro‐responsive material. Their surface morphology and chemical structure were observed with high‐resolution scanning electron microscopy and Fourier transform infrared spectroscopy, respectively. When dispersed in silicone oil, the electrorheological (ER) properties of the PIn particles were examined using a rotational rheometer with both steady shear and oscillatory tests under various applied electric field strengths with direct observation using an optical microscope. Flow curves of shear stress as a function of shear rate were well fitted using the Cho‐Choi‐Jhon model. Dielectric analysis was also performed to examine the permittivity and loss factor in relation to the ER effect. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46384.
Controllably Confined ZnO on USY Zeolites (USY@ZnO/Al2O3) as Efficient Lewis Acid Catalysts for Baeyer–Villiger Oxidation
Authors: Wang Bo , Xu Hao , Ding Yu , Zhu Zhiguo , Wang Darui , Guan Yejun , Wu Haihong , Wu Peng
Published: March 2018

A ZnAl‐LDHs (layered double hydroxides) phase was readily formed on the surface of a USY zeolite through a distinctive in situ growth method that benefitted from the interaction of the added Zn source and aluminum species extracted from the Al‐rich USY zeolite crystals. The migration of aluminum and simultaneous interaction with the external Zn source took place in one pot to form a ZnAl‐LDHs phase coated on the surface of the USY crystals. Upon calcination, the ZnAl‐LDHs phase was transformed into a ZnO/Al2O3 composite that was still firmly anchored on the USY zeolite, without sacrificing the core–shell structure. The resultant USY@ZnO/Al2O3 materials gave rise to unique Lewis acidity and hierarchical porosity, which endowed the catalyst with promising performance in the Baeyer–Villiger oxidation of ketones with H2O2 or bulky tert‐butyl hydroxide as an oxidant.
Sustainable scenarios for alkaline protein extraction from leafy biomass using green tea residue as a model material
Authors: Zhang Chen , Slegers Petronella M. , Wisse Jacobus , Sanders Johan P.M. , Bruins Marieke E.
Published: March 2018

Leaf protein can be extracted cost‐efficiently using 0.1 mol dm−3 NaOH, but this process is less sustainable due to the generation of large amounts of sodium salts. KOH or Ca(OH)2 are considered as replacements for NaOH, as these salts can be reused. This work evaluates the economic and environmental sustainability of weak alkaline pectin extraction followed by KOH enhanced protein extraction, and Viscozyme® L‐aided pectin extraction followed by Ca(OH)2 enhanced protein extraction. The evaluations are made for green tea residue and are compared to related processes using NaOH. The predicted profits using KOH are comparable to those using NaOH. Environmental sustainability improves for all impact categories in the case of KOH extraction. Further environmental benefits are obtained by substituting conventional K fertilizer with the K‐rich salty waste water from the extraction process. The profits of the process using Ca(OH)2 are highly dependent on the extraction yield of the protein product. Protein extraction yields using Ca(OH)2 need to be higher than 70% to be more profitable than the same process with NaOH. The environmental benefits of Ca(OH)2 extraction include the absence of salty waste water and the net production of heat. This is accompanied by increased electricity consumption. Thus, the impact categories of climate change, fossil and water depletion, and particulate matter formation worsen. Photochemical oxidant formations remain the same, while the other impacts improve. This work has shown the potential and bottlenecks of NaOH, KOH and Ca(OH)2 protein extraction on different types of biomass in terms of environmental and economic sustainability. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd
Effective Protection on Acute Liver Injury by Halo Tag‐Flanked Recombinant Fibroblast Growth Factor 7
Authors: Liu Min , Chen Zhiyu , Huang Sisi , Chu Shenghui , Issaro Nipatha , Tian Haishan , Hu Haiyan , Jiang Chao
Published: March 2018

The drug development of FGF7 has been restricted by its toxicity to the host, low expression, poor stability, and easy degradation. Recent studies have shown that Halo‐tag‐flanked recombinant human FGF7 can solve the problem of toxicity; however, its biological activity is unknown. This study aimed to explore the activity of Halo‐rhFGF7 and rhFGF7 on acute liver injury in vitro and in vivo. The rhFGF7 is expressed with a N‐terminal Halo‐tag, followed by a tobacco etch virus (TEV) protease cleavage site, in Escherichia coli BL21 (DE3) pLysS in this study. The products could stimulate the proliferation of carbon tetrachloride–damaged L‐O2 cells (normal human liver cells); they also inhibited cell apoptosis. Due to the use of the Halo, the protein could be tracked using fluorescence localization. Recombinant protein exerted a protective effect on the acute liver injury model in vitro and in vivo. The MTT assay and Western blot analysis showed that this protective effect is realized through various paths, including promoting proliferation, inhibiting cell apoptosis and anti‐inflammatory. In conclusion, Halo‐rhFGF7 and rhFGF7 displayed an excellent protective effect on acute liver injury. The present study provided an experimental basis and data support for further research on rhFGF7.
Initiation of Carbon Nanofiber Growth on Polycrystalline Nickel Foam under Low Ethylene Pressure
Authors: Roemers‐van Beek Joline M. , Wang Zhu‐Jun , Rinaldi Ali , Willinger Marc G. , Lefferts Leon
Published: March 2018

The initiation of carbon nanofiber (CNF) growth on polycrystalline Ni foam was investigated by using a combination of ex situ and in situ methods, which include SEM, XRD, and Raman spectroscopy. Experiments were performed at a low hydrocarbon partial pressure to slow down the initiation process. Very little to no CNFs were observed on reduced samples, which is caused by diffusion of C to the bulk of the Ni foam. This prevents the formation of Ni3C as a precursor of Ni nanoparticles at a low hydrocarbon partial pressure from acting as active particles for CNF formation. CNF growth was significant on oxidized samples and the initiation was slowed down by using an extremely low ethylene pressure. Ni nanoparticles are able to catalyze CNF growth, provided these are isolated from the Ni bulk by unreduced NiO, which results from the incomplete reduction of the NiO layer.
Lithium Extracting from Zinnwaldite: Economical Comparison of an Adapted Spodumene and a Direct‐Carbonation Process
Authors: Rentsch Lars , Martin Gunther , Bertau Martin , Höck Michael
Published: March 2018

Lithium is used in a variety of everyday objects. The most important field of application is as components of battery electrolytes and electrodes. Next to salar brines, commercial lithium production relies on mineral ore sources such as spodumene, petalite, and lepidolite. This study provides an economic comparison of two processes for the extraction of lithium from zinnwaldite concentrate, a lithium mineral that can be found along the Czech/German border at Cínovec/Zinnwald. In contrast to the state‐of‐the‐art lithium extraction from siliceous ores, which is a hydrometallurgical extraction process with sulfuric acid, the novel direct‐carbonation process is based on digestion using supercritical carbon dioxide. An assessment of the capital and operating expenditures was also carried out.
Monitoring Lactose Crystallization at Industrially Relevant Concentrations by Photon Density Wave Spectroscopy
Authors: Hartwig Anne , Hass Roland
Published: March 2018

Lactose is of great industrial importance and its production includes the cooling crystallization from highly concentrated solutions. Monitoring the crystallization process is essential to ensure reproducible product quality. Photon density wave (PDW) spectroscopy enables in‐line monitoring of highly concentrated processes in liquid dispersions. It was applied to the determination of the solubility and nucleation points of lactose monohydrate in water, sizing of lactose crystals, and to dissolution as well as crystallization monitoring. Other process analytical technologies (focused‐beam reflectance measurement, particle vision and measurement) were used as reference, and the comparison indicates that PDW spectroscopy is very robust against probe fouling and is, thus, a useful tool for monitoring crystallization processes in concentrated suspensions.
CuP2/C Composite Negative Electrodes for Sodium Secondary Batteries Operating at Room‐to‐Intermediate Temperatures Utilizing Ionic Liquid Electrolyte
Authors: Kaushik Shubham , Hwang Jinkwang , Matsumoto Kazuhiko , Sato Yuta , Hagiwara Rika
Published: March 2018

A copper phosphide/carbon (CuP2/C) composite was synthesized by using a two‐step ball‐milling process from copper metal and red phosphorous and investigated as a negative electrode for a sodium secondary battery using Na[FSA]−[C3C1pyrr][FSA] [FSA=bis(fluorosulfonyl)amide anion and C3C1pyrr=N‐methyl‐N‐propylpyrrolidinium cation] ionic liquid as the electrolyte. Operation at an intermediate temperature of 363 K revealed that the aforementioned composite showed a large reversible capacity of 595 mAh g−1 at 100 mA g−1 and a high rate capability with a capacity retention of 65 % (366 mAh g−1) at a high current density of 8000 mA g−1. Cyclability tests confirmed that 71.0 % of the initial capacity was retained at the 200th cycle with 99.5 % coulombic efficiency at 500 mA g−1. The CuP2/C composite forms a solid‐electrolyte interphase layer during the initial charging step and becomes amorphous after the initial charge‐discharge cycle at 363 K.
Structure of Nanoparticles Derived from Designer Surfactant TPGS‐750‐M in Water, As Used in Organic Synthesis
Authors: Andersson Martin P. , Gallou Fabrice , Klumphu Piyatida , Takale Balaram S. , Lipshutz Bruce H.
Published: March 2018

Using density functional theory and the COSMO‐RS implicit solvent model, we predict the structure and physical chemical properties of nanomicelles derived from the designer surfactant TPGS‐750‐M used in organic synthesis. We predict that the influence of chain length of the PEG region is low, while the termination of the PEG chain (‐OH vs.‐OCH3) plays a very large role. The interfacial tension is considerably lower between the micellar and water phases for the ‐OH than the ‐OCH3 terminated surfactant, and our calculations reproduce the large difference observed in average particle size as a function of PEG chain termination. We propose a structure for the nanoparticles formed by TPGS‐750‐M in water that is consistent with a ≈50 nm average diameter, which is significantly larger than a single micelle. According to the calculations, each nanoparticle would consist of 30–40 aggregated TPGS‐750‐M micelles forming a compartmentalized nanoparticle, with considerable amounts of water in the PEG region. The whole particle is stabilized by vitamin E succinate at the nanoparticle‐water interface. In the presence of Zn dust or powder, the surfactant collides with the Zn surface, and by interactions with the hydrophobic inner cores, form organozinc species that are protected from the surrounding water. This explains why highly moisture‐sensitive Negishi‐like couplings take place in surfactant–water systems.
A General, Rhodium‐Catalyzed, Synthesis of Deuterated Boranes and N‐Methyl Polyaminoboranes
Authors: Colebatch Annie L. , Hawkey Gilder Benjamin W. , Whittell George R. , Oldroyd Nicola L. , Manners Ian , Weller Andrew S.
Published: March 2018

The rhodium complex [Rh(Ph2PCH2CH2CH2PPh2)(η6‐FC6H5)][BArF4], 2, catalyzes BH/BD exchange between D2 and the boranes H3B⋅NMe3, H3B⋅SMe2 and HBpin, facilitating the expedient isolation of a variety of deuterated analogues in high isotopic purities, and in particular the isotopologues of N‐methylamine‐borane: R3B⋅NMeR2 1‐dx (R=H, D; x=0, 2, 3 or 5). It also acts to catalyze the dehydropolymerization of 1‐dx to give deuterated polyaminoboranes. Mechanistic studies suggest a metal‐based polymerization involving an unusual hybrid coordination insertion chain‐growth/step‐growth mechanism.
Serum uric acid to creatinine ratio correlates with β‐cell function in type 2 diabetes
Authors: Li Minchao , Gu Liubao , Yang Jun , Lou Qinglin
Published: March 2018

Background

The correlation between serum uric acid (SUA) and β‐cell function remains controversial. The present study aims to use a new index, renal function‐normalized SUA, to observe its correlation with β‐cell function in patients with type 2 diabetes (T2DM).

Methods

A total of 713 patients with T2DM received standard 75‐g oral glucose tolerance and insulin release test. Renal function‐normalized SUA was calculated using SUA/creatinine and β‐cell function was assessed by HOMA‐B. Binary logistic regression analysis was used to estimate the association between SUA/creatinine and β‐cell function.

Results

There are positive correlations between SUA/creatinine and HOMA‐B (r = 0.143, P < 0.001), as well as other indexes of β‐cell function including modified β‐cell function index (r = 0.104, P = 0.007), InsAUC30 (r = 0.100, P = 0.008), and InsAUC120 (r = 0.124, P = 0.001). SUA/creatinine also positively correlates with insulin resistance (HOMA‐IR: r = 0.161, P < 0.001). Moreover, multivariate analysis revealed that SUA/creatinine was significantly associated with preserved β‐cell function, independently of potential confounders including sex, BMI, and renal function.

Conclusions

SUA to creatinine ratio correlates with β‐cell function in T2DM patients.
Modeling the spatial and temporal dynamics of riparian vegetation induced by river flow fluctuation
Authors: You Xiaoguang , Liu Jingling
Published: March 2018

River flow fluctuation has an important influence on riparian vegetation dynamics. A temporally segmented stochastic model focusing on a same‐aged population is developed for the purpose of describing both spatial and temporal dynamics of riparian vegetation. In the model, the growth rate of population, rather than carrying capacity, is modeled as the random variable. This model has explicit physical meaning. The model deduces a process‐based solution. From the solution process, the probability density of spatial distribution can be derived; therefore, the spatial distribution of population abundance can be described. The lifespan of a same‐aged population and the age structure of the species‐specific population can also be studied with the aid of this temporally segmented model. The influence of correlation time of river flow fluctuation is also quantified according to the model. The calibration of model parameters and model application are discussed. The model provides a computer‐aided method to simulate and predict vegetation dynamics during river flow disturbances. Meanwhile, the model is open and allows for more accurate and concrete modeling of growth rate. Because of the Markov property involved in the process‐based solution, the model also has the ability to deal with cases of nonstationary disturbances.
Temporal variation in trophic relationships among three congeneric penguin species breeding in sympatry
Authors: Tarroux Arnaud , Lydersen Christian , Trathan Philip N. , Kovacs Kit M.
Published: March 2018

Penguins are a monophyletic group in which many species are found breeding sympatrically, raising questions regarding how these species coexist successfully. Here, the isotopic niche of three sympatric pygoscelid penguin species was investigated at Powell Island, South Orkney Islands, during two breeding seasons (austral summers 2013–2014 and 2015–2016). Measurements of carbon (δ13C) and nitrogen (δ15N) stable isotope ratios were obtained from blood (adults) or feather (chicks) samples collected from Adélie Pygoscelis adeliae, chinstrap P. antarctica, and gentoo P. papua penguins. Isotopic niche regions (a proxy for the realized trophic niches) were computed to provide estimates of the trophic niche width of the studied species during the breeding season. The isotopic niche regions of adults of all three species were similar, but gentoo chicks had noticeably wider isotopic niches than the chicks of the other two species. Moderate to strong overlap in isotopic niche among species was found during each breeding season and for both age groups, suggesting that the potential for competition for shared food sources was similar during the two study years, although the actual level of competition could not be determined owing to the lack of data on resource abundance. Clear interannual shifts in isotopic niche were seen in all three species, though of lower amplitude for adult chinstrap penguins. These shifts were due to variation in carbon, but not nitrogen, isotopic ratios, which could indicate either a change in isotopic signature of their prey or a switch to an alternative food web. The main conclusions of this study are that (1) there is a partial overlap in the isotopic niches of these three congeneric species and that (2) they responded similarly to changes that likely occurred at the base of their food chain between the 2 years of the study.
Positive severity feedback between consecutive fires in dry eucalypt forests of southern Australia
Authors: Barker James W. , Price Owen F.
Published: March 2018

Fire regimes have long‐term effects on ecosystems which can be subtle, requiring study at a large spatial scale and temporal scale to fully appreciate. The way in which multiple fires interact to create a fire regime is poorly understood, and the relationship between the severities of consecutive fires has not been studied in Australia. By overlaying remotely sensed severity maps, our study investigated how the severity of a fire is influenced by previous fire severity. This was done by sampling points at 500‐m spacing across 53 fires in dry eucalypt forests of southeast Australia, over a range of time since fire spanning every major fire season for 30 yr. Generalized additive models were used to determine the influence of previous severity on the probability of crown fire and understory fire, controlling for differences in time since fire, topography, and weather. We found that a crown fire is more than twice as likely after a previous crown fire than previous understory fire, and understory fire is more likely after previous understory fire. Our findings are in line with the results of studies from North America and suggest that severe fire promotes further fire. This may be evidence of a runaway positive feedback, which can drive ecological change, and lead to a mosaic of divergent vegetation, but research into more than two consecutive fires is needed to explore this. Our results also suggest that a low‐severity prescribed fire may be a useful management option for breaking a cycle of crown fires.
MiR221 promotes precursor B‐cell retention in the bone marrow by amplifying the PI3K‐signaling pathway in mice
Authors: Petkau Georg , Kawano Yohei , Wolf Ingrid , Knoll Marko , Melchers Fritz
Published: March 2018

Hematopoietic stem cells and lineage‐uncommitted progenitors are able to home to the bone marrow upon transplantation and reconstitute the host with hematopoietic progeny. Expression of miR221 in B‐lineage committed preBI‐cells induces their capacity to home to the bone marrow. However, the molecular mechanisms underlying miR221‐controlled bone marrow homing and retention remain poorly understood. Here, we demonstrate, that miR221 regulates bone marrow retention of such B‐cell precursors by targeting PTEN, thus enhancing PI3K signaling in response to the chemokine CXCL12. MiR221‐enhanced PI3K signaling leads to increased expression of the anti‐apoptotic protein Bcl2 and VLA4 integrin‐mediated adhesion to VCAM1 in response to CXCL12 in vitro. Ablation of elevated PI3K activity abolishes the retention of miR221 expressing preBI‐cells in the bone marrow. These results suggest that amplification of PI3K signaling by miR221 could be a general mechanism for bone marrow residence, shared by miR221‐expressing hematopoietic cells.
Catalytic Oxidative Cracking of Light Alkanes to Alkenes
Authors: Boyadjian Cassia , Lefferts Leon
Published: March 2018

A review on the catalytic oxidative cracking of light alkanes to alkenes is presented as an alternative route to steam cracking for production of alkenes. Catalytic oxidative cracking is a combination of heterogeneous and homogeneous reactions; the reaction is initiated on the catalyst surface followed by thermal gas phase cracking. The review focuses on the catalytic generation of alkyl radicals at moderate temperatures (550–650 °C) using the Li/MgO system. Comparison with other catalyst systems such as Li/Y2O3, Au/La2O3, Au‐SCZ, BiOCl, B2O3/Al2O3, Co‐N/Al2O3 and Pt/Al2O3 monoliths is included. Gold supported on sulfated ceria‐zirconia catalyst (Au‐SCZ) is concluded to be a promising catalyst for further study. In addition to catalytic initiation of radicals, the review discusses alkyl generation using non‐equilibrium plasma. Plasma‐catalysis in oxidative cracking induces synergy effects and introduces significant improvement in yields of alkenes; however, further understanding of plasma chemistry needs to be elaborated. Minimizing CO2 production and maximizing yields of valuable C2–C4 alkenes remains the bottleneck for the commercialization of oxidative cracking process. Future research should focus on reactor design and on developing optimized reactor‐catalyst systems.
Synthetic β‐Cyclodextrin Dimers for Squaraine Binding: Effect of Host Architecture on Photophysical Properties, Aggregate Formation and Chemical Reactivity
Authors: Chaudhuri Sauradip , Verderame Molly , Mako Teresa L. , Bandara Y. M. Nuwan D. Y. , Fernando Ashvin I. , Levine Mindy
Published: March 2018

Reported herein is the synthesis and application of three novel β‐cyclodextrin dimer hosts for the complexation of near infrared (NIR) squaraine dyes in aqueous solution. A series of eight different N‐substituted N‐methyl anilino squaraine dyes with variable terminal groups are investigated, with an optimal n‐hexyl‐substituted squaraine guest demonstrating binding constants orders of magnitude higher than the other squaraine–host combinations and comparable to literature‐reported systems. Moreover, hydrophobic complexation of the squaraine dyes with the β‐cyclodextrin dimer hosts causes drastic changes in the squaraine's photophysical properties, propensity for aggregation and susceptibility to hydrolytic decay.
Superstars are not necessarily role models: Morality perceptions moderate the impact of competence perceptions on supervisor role modeling
Authors: Peters Kim , Steffens Niklas K. , Morgenroth Thekla
Published: March 2018

There is a general assumption that we choose role models from the ranks of those who have demonstrated extraordinary competence. However, the person perception literature supports the expectation that morality may also matter, and that we may be most likely to role model competent individuals if we also believe that they have good moral character. To test this possibility, we conducted four studies of adults’ role modeling of workplace supervisors. Study 1 (N = 245) and Study 2 (N = 110) showed that workplace supervisors’ perceived competence was most strongly associated with role model perceptions when the supervisor was also seen as moral. Study 3 (N = 492) and 4 (N = 335) replicated these findings with pre‐registered experiments, and revealed indirect effects of supervisor attributes on role modeling through emulation. Results suggest that we choose organizational role models who have achieved success in ways that are in line with our moral values.
Secular changes in severity of intellectual disability in tuberous sclerosis complex: A reflection of improved identification and treatment of epileptic spasms?
Authors: Tye Charlotte , Thomas Laura E. , Sampson Julian R. , Lewis Julia , O'Callaghan Finbar , Yates John R. W. , Bolton Patrick F.
Published: March 2018

Tuberous sclerosis complex (TSC) is a multisystem genetic disorder caused by mutations in TSC1 or TSC2. Epilepsy occurs in 80%‐90% of affected individuals during their lifetime, and up to one‐third of children with TSC will develop epileptic (infantile) spasms, for which vigabatrin has been shown to be particularly effective. Epilepsy severity and epileptic spasms are consistent markers of risk for the development of intellectual impairment in TSC. Although previous studies demonstrate a bimodal distribution of intellectual ability in TSC, recent findings suggest a unimodal distribution, which may reflect a change in IQ distribution over time. We compared 3 large historical UK cohorts of TSC (n = 331) that show varied distributions of intellectual ability, first ruling out differences in study methodology. Later‐born individuals had a higher frequency of reported spasms and higher likelihood of vigabatrin administration, but were less likely to have profound intellectual impairment, compared to the earlier‐born individuals. Our findings suggest that epileptic spasms went undetected in the older patients and therefore were not treated, leading to a higher occurrence of profound impairment, whereas the later born cohort had better access to treatment. These findings support the importance of early identification and treatment of seizures in TSC.
Tuning carbon dioxide capture capability with structural and compositional design in mmen‐(Mg,Zn) (dobpdc) metal‐organic framework: density functional theory investigation
Authors: Pramchu Sittichain , Jaroenjittichai Atchara P. , Laosiritaworn Yongyut
Published: March 2018

This paper presents a materials design for tuning the CO2‐capture capability of mixed‐metal‐organic framework mmen‐(ZnxMg1‐x)2(dobpdc) using density functional theory. The structural stability of a mixed‐metal structure with respect to its parent single‐metal species was investigated via energy of mixing (ΔEmix). We found that the ΔEmix of all mixed‐metal structures are negative, signifying exothermic mixing. This then indicates that mixed‐metal structures are energetically preferable compared with their non‐interacting single‐metal species. Moreover, the magnitudes of ΔEmix of all mixed‐metal structures are lower than 1 kJ/mol, implying an ‘ideal mixing’. Density‐of‐state analysis also reveals that the electronic structures of both Mg and Zn in mixed‐metal structures are not significantly different from those in parent single‐metal species, suggesting weak chemical interaction between Mg and Zn in mixed‐metal structures. For CO2‐adsorbed mmen‐(ZnxMg1‐x)2(dobpdc), we found that the adsorption energy (Eads) is a linear function of mixing ratio (x), and does not depend on how Mg and Zn atoms are arranged in forming different mixed‐metal structures. This can be described by the weak chemical interaction between Mg and Zn in a mixed‐metal structure. Consequently, Eads can then be predicted conveniently from the mixing ratio, while the adsorption properties of parent single‐metal species can be tuned with the proposed mixed‐metal method. We then expect that the knowledge of materials design using a mixed‐metal approach presented in this work would benefit the community in providing the ability to tune CO2 capture capability efficiently in the materials studied. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd.
Catalytic coupling of CH4 with CHF3 for the synthesis of VDF over LaOF catalyst
Authors: Cheng Yimin , Wang Jinchao , Han Wenfeng , Song Yanyan , Liu Wucan , Yang Luteng , Wang Shucheng , Wu Zhixing , Tang Haodong , Zhang Jianjun , Stockenhuber Michael , Kennedy Eric M.
Published: March 2018

The oxidative coupling of methane (OCM) with CHF3 facilitates the synthesis of vinylidene fluoride (VDF). The aim is to utilize CHF3, which is otherwise considered a waste with a very high global warming potential. This study focuses on the effect of a LaOF catalyst on OCM occurring in the presence of CHF3, which engenders a promoting effect of O2 on CH4 activation. It examines the structural and phase changes of the lanthanum catalyst during the reaction and then speculates on the reaction mechanism. In combining OCM with CHF3, both the conversion of CH4 and the formation rate of VDF are almost tripled at 700°C. However, at higher temperatures, gas‐phase reactions play a dominating role in the conversion of CH4 and LaOF catalyst plays a very minor role in the reaction system at elevated temperatures. Irrespective of the reaction temperature, VDF is produced via the gas‐phase coupling of CH3 radicals with CF2. During pretreatment or during the reaction itself, La2O3 is fluorinated by CHF3 and HF, yielding the formation of surface LaOF and LaF3 species. LaF3 is a relatively inactive catalyst for CH4 conversion, whereas, in comparison LaOF appears to play a very important role in the activation of CH4 at low temperatures. The activation mechanism of CH4 at relatively low temperatures is similar with that postulated to occur during the OCM. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd.
Hydrothermal activity in the fourth member of the Triassic Leikoupo Formation in the Yuanba area, northeast Sichuan, SW China
Authors: Zhong Yi‐Jiang , Chen An‐Qing , Huang Ke‐Ke , Yang Shuai , Xu Sheng‐Lin
Published: March 2018

Large quantities of saddle dolomite, dolomite, calcite, celestite, fluorite, barite, quartz, and pyrite occur as fracture fillings in the fourth member of the Middle Triassic Leikoupo Formation in the Yuanba area, northeast Sichuan. They were found either as single mineral or mineral assemblages. The properties, origin, and evolution of the fluids from which these fracture fillings were precipitated were studied using a variety of methods, including polarized light microscopy, cathodoluminescence microscopy, fluid inclusions, and stable isotope analysis. Homogenization temperatures of the liquid–gas inclusions trapped within the dolomite ranged from 112 to 138 °C. Based on this temperature range and the oxygen isotope data, the δ18O values of the fluids from which the dolomite precipitated were determined to be between −5‰ and 7‰ (Standard Mean Ocean Water). The study suggests that the fracture‐filling dolomite, ubiquitous in the fourth member of the Middle Triassic Leikoupo Formation in the study area, was produced from high‐temperature, high‐salinity brines. These brines were interpreted to have originated from the mixtures of hot brines trapped in rock formations and hydrothermal fluids from deep sources and to have become enriched in strontium during diagenesis.
Functional MRI registration with tissue‐specific patch‐based functional correlation tensors
Authors: Zhou Yujia , Zhang Han , Zhang Lichi , Cao Xiaohuan , Yang Ru , Feng Qianjin , Yap Pew‐Thian , Shen Dinggang
Published: March 2018

Population studies of brain function with resting‐state functional magnetic resonance imaging (rs‐fMRI) rely on accurate intersubject registration of functional areas. This is typically achieved through registration using high‐resolution structural images with more spatial details and better tissue contrast. However, accumulating evidence has suggested that such strategy cannot align functional regions well because functional areas are not necessarily consistent with anatomical structures. To alleviate this problem, a number of registration algorithms based directly on rs‐fMRI data have been developed, most of which utilize functional connectivity (FC) features for registration. However, most of these methods usually extract functional features only from the thin and highly curved cortical grey matter (GM), posing great challenges to accurate estimation of whole‐brain deformation fields. In this article, we demonstrate that additional useful functional features can also be extracted from the whole brain, not restricted to the GM, particularly the white‐matter (WM), for improving the overall functional registration. Specifically, we quantify local anisotropic correlation patterns of the blood oxygenation level‐dependent (BOLD) signals using tissue‐specific patch‐based functional correlation tensors (ts‐PFCTs) in both GM and WM. Functional registration is then performed by integrating the features from different tissues using the multi‐channel large deformation diffeomorphic metric mapping (mLDDMM) algorithm. Experimental results show that our method achieves superior functional registration performance, compared with conventional registration methods.
Impacts of projected climate change on sediment yield and dredging costs
Authors: Dahl Travis A. , Kendall Anthony D. , Hyndman David W.
Published: March 2018

Changes in climate may significantly affect how sediment moves through watersheds into harbours and channels that are dredged for navigation or flood control. Here, we applied a hydrologic model driven by a large suite of climate change scenarios to simulate both historical and future sediment yield and transport in two large, adjacent watersheds in the Great Lakes region. Using historical dredging expenditure data from the U.S. Army Corps of Engineers, we then developed a pair of statistical models that link sediment discharge from each river to dredging costs at the watershed outlet. Although both watersheds show similar slight decreases in streamflow and sediment yield in the near‐term, by Mid‐Century, they diverge substantially. Dredging costs are projected to change in opposite directions for the two watersheds; we estimate that future dredging costs will decline in the St. Joseph River by 8–16% by Mid‐Century but increase by 1–6% in the Maumee River. Our results show that the impacts of climate change on sediment yield and dredging may vary significantly by watershed even within a region and that agricultural practices will play a large role in determining future streamflow and sediment loads. We also show that there are large variations in responses across climate projections that cause significant uncertainty in sediment and dredging projections.
Mind perception of God in Japanese children
Authors: Moriguchi Yusuke , Takahashi Hideyuki , Nakamata Tomoko , Todo Naoya
Published: March 2018

There is a theoretical debate regarding whether children represent God with reference to a human. Most previous studies have assessed this issue focusing on knowledge/omniscience in western children. This study used a theoretical framework characterising mental capacities in terms of motivational/emotional (experience) and cognitive (agency) mental capacities and tested whether Japanese children discriminated between God, a human, a baby and an invisible agent according to these capacities. Three‐ to 6‐year‐old children were asked about the experience and agency of the agents. The results revealed that children discriminated God from a human in terms of mental capacities including experience and agency in 3‐year‐old children. On the other hand, 4‐ to 6‐year‐old children, but not 3‐year‐old children, discriminated a human from a baby and an invisible person. The results suggest that the Japanese children's representations of God differed from their representation of a human during preschool years.
Development of a M cell‐targeted microparticulate platform, BSK02™, for oral immunization against the ovarian cancer antigen, sperm protein 17
Authors: Mattila Juha‐Pekka , Mirandola Leonardo , Chiriva‐Internati Maurizio
Published: March 2018

Although it only accounts for approximately 5% of all female cancer cases, ovarian cancer (OC) ranks as the fifth leading cause of death due to cancer in women. We have evaluated the potential of an orally administered microparticulate vaccine incorporating an immunodominant epitope peptide derived from the cancer/testis antigen sperm protein 17 (SP17) aberrantly expressed in OC, to retard the progression of the disease. The peptide antigen and the immune‐stimulatory toll‐like receptor 9 ligand CpG oligonucleotide were incorporated into spray dried microparticles composed of enteric and sustained release polymers together with the Aleuria aurantia lectin targeting microfold cells present in the gut‐associated lymphoid tissue. These particles were administered via oral route to mice challenged week prior with SP17‐expressing ID8 OC cells. Analysis of splenocytes harvested from vaccinated mice revealed strong activation of IFN‐γ+/CD8+ lymphocytes in response to re‐stimulation with the SP17 antigen. Moreover, vaccinated animals showed significant retardation of ascites/tumor volume in comparison to placebo‐treated animals four weeks after the tumor challenge (p = 0.005). Taken together, our results suggest that vaccination against SP17 using orally administered microparticles could potentially be used as an effective consolidation strategy for OC patients with residual tumor or high probability for relapse following first‐line treatments. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 107B: 29–36, 2019.
Synthesis, Tautomerism, and Antiradical Activity of Novel Pteridinetrione Derivatives
Authors: Kazunin M. S. , Voskoboynik O. Yu. , Nosulenko I. S. , Berest G. G. , Sergeieva T. , Okovytyy S. , Karpenko O. V. , Priimenko B. O. , Kovalenko S. I.
Published: March 2018

Synthesis of 1‐methyl‐6‐((2‐(aryl‐(heteryl‐))‐2‐oxoethyl) pteridine‐2,4,7(1H,3H,8H)‐triones via [4 + 2]‐cycloaddition of 1‐methyl‐5,6‐diaminouracil with ethyl 4‐aryl(heteryl)‐2,4‐dioxobutanoates is described in presented work. It was established that the reaction occurs regioselectively and proceeds under refluxing of starting compounds in acetic acid for 60 min. The structures of synthesized compounds were proven by complex of physicochemical methods including infrared, 1H‐, 13C‐NMR spectroscopy, liquid chromatography–mass spectrometry, and electron impact–mass spectrometry. Based on the detail analysis of the correlational NMR spectral data (correlation spectroscopy, heteronuclear single quantum coherence, heteronuclear multiple bond correlation, and Nuclear Overhauser effect spectroscopy), it was determined that in dimethyl sulfoxide solution, the 1‐methyl‐6‐((2‐(aryl‐(heteryl‐))‐2‐oxoethyl)pteridine‐2,4,7(1H,3H,8H)‐triones exist in two tautomeric forms: ketone (A) and enol (B). It was also found that tautomeric behavior of aforementioned compounds in hexadeuterated dimethyl sulfoxide is sensitive to the nature of the aryl or heteryl substituent at the position 6 of ring. The electron donating groups shift equilibrium to the tautomer A, while electron withdrawing – to the tautomer B. The synthesized compounds were tested on antiradical activity. It was found that obtained compounds reveal radical scavenging activity comparable or higher than ascorbic acid.
Brazilian network for HIV Drug Resistance Surveillance (HIV‐BresNet): a survey of treatment‐naive individuals
Authors: Arruda Monica B , Boullosa Lídia T , Cardoso Cynthia C , da Costa Carolina M , Brites Carlos , de Lima Shirlene TS , Kaminski Helena T , Aleixo Agdemir W , Esposito Ana OP , Cavalcanti Ana MS , Riedel Maristela , Couto‐Fernandez José C , Ferreira Selma B , de Oliveira Ivi CM , Portal Loreci E , Wolf Hilda HC , Fernandes Sandra B , de M. C. Pardini Maria I , Feiteiro Manoel VC , Tolentino Fernanda M , Diaz Ricardo S , Lopes Giselle ISL , Francisco Roberta BL , Véras Nazle MC , Pires Ana F , Franchini Miriam , Mesquita Fábio , Tanuri Amilcar ,   HIV‐BResNet
Published: March 2018

Introduction

In Brazil, more than 487,450 individuals are currently undergoing antiretroviral treatment. In order to monitor the transmission of drug‐resistant strains and HIV subtype distribution in the country, this work aimed to estimate its prevalence and to characterize the nationwide pretreatment drug resistance in individuals recently diagnosed with HIV between 2013 and 2015.

Methods

The HIV threshold survey methodology (HIV‐THS, WHO) targeting antiretroviral‐naive individuals with recent HIV diagnosis was utilized, and subjects were selected from 51 highly populated cities in all five Brazilian macroregions. The HIV pol genotypic test was performed by genomic sequencing.

Results

We analysed samples from 1568 antiretroviral‐naive individuals recently diagnosed with HIV, and the overall transmitted drug resistance (TDR) prevalence was 9.5% (150 sequences). The regional prevalence of resistance according to Brazilian geographical regions was 9.4% in the northeast, 11.2% in the southeast, 6.8% in the central region, 10.2% in the north and 8.8% in the south. The inhibitor‐specific TDR prevalence was 3.6% for nucleoside reverse transcriptase inhibitors (NRTIs), 5.8% for non‐nucleoside reverse transcriptase inhibitors (NNRTIs) and 1.6% for protease inhibitors (PIs); 1.0% of individuals presented resistance to more than one class of inhibitors. Overall, subtype B was more prevalent in every region except for the southern, where subtype C prevails.

Conclusions

To the best of our knowledge, this is the first TDR study conducted in Brazil with nationwide representative sampling. The TDR prevalence revealed a moderate rate in the five Brazilian geographical regions, although some cities presented higher TDR prevalence rates, reaching 14% in São Paulo, for example. These results further illustrate the importance of surveillance studies for designing future strategies in primary antiretroviral therapy, aiming to mitigate TDR, as well as for predicting future trends in other regions of the globe where mass antiretroviral (ARV) treatment was implemented.
Conducting polymer/bio‐material composite coatings for corrosion protection
Authors: Sambyal Pradeep , Ruhi Gazala , Mishra Monu , Gupta Govind , Dhawan Sundeep K.
Published: March 2018

Present study demonstrates a facile in situ oxidative copolymerization method to synthesize conducting copolymer composites in aqueous chitosan medium. The development of poly(aniline‐co‐o‐toluidine)–chitosan–SiO2/epoxy composite coatings were carried out by thermal curing of the spray‐coated mild steel substrates. FT‐IR analysis, XRD studies, SEM and HR‐TEM evidenced that the composite has synergistically integrated properties of the copolymer and the SiO2 nanoparticles. The electrochemical analyses of the coatings in 3.5% NaCl solution manifest an efficient role of copolymer composite in the remarkable improvement of the corrosion resistance of the substrate. The analyses involve Tafel polarization and electrochemical impedance spectroscopy (EIS) studies. The corrosion inhibition property of conducting copolymers, the film forming ability of chitosan, and robustness of SiO2 nanoparticles kept the corrosion rate of the coatings significantly low, under highly corrosive conditions. Mild steel coated with 3.0% loading of copolymer composite coating demonstrated very low corrosion current density (icorr) and significantly high pore resistance (Rpore).
Assessment of the effects of acetic acid and turbulent flow conditions on the corrosion of API 5L X52 steel in aqueous CO2 solutions
Authors: Olvera‐Martínez María Elena , Mendoza‐Flores Juan , Rodríguez‐Gómez Francisco Javier , Durán‐Romero Rubén , Genesca Juan
Published: March 2018

Electrochemical techniques were used to determine the effects of acetic acid and turbulent flow on the corrosion process of pipeline steel in aqueous NaCl solutions saturated with CO2 at 60 °C. The results showed that in CO2‐saturated NaCl solution the corrosion kinetics is controlled by the mass transfer of reducible ions. The corrosion kinetics was significantly affected by the acetic acid addition. The cathodic limiting current density (ilim) can be described as the sum of individual limiting current densities for each reducible ionic species, and an independent flow term, associated with the CO2 hydration.
Light‐Responsive Shape: From Micrometer‐Long Nanocylinders to Compact Particles in Electrostatic Self‐Assembly
Authors: Mariani Giacomo , Krieger Anja , Moldenhauer Daniel , Schweins Ralf , Gröhn Franziska
Published: March 2018

A light‐triggered shape change of supramolecular nanostructures is achieved through electrostatically self‐assembly of linear polyelectrolytes and oppositely charged dyes in aqueous solution: Upon UV‐irradiation, 1‐µm‐long, flexible cylinders with a cross‐section of 10 nm convert into ellipsoids of 400 nm × 40 nm. The nano‐object shape is encoded in the molecular dye structure.
Biodiversity of fungi in hot desert sands
Authors: Murgia Manuela , Fiamma Maura , Barac Aleksandra , Deligios Massimo , Mazzarello Vittorio , Paglietti Bianca , Cappuccinelli Pietro , Al‐Qahtani Ahmed , Squartini Andrea , Rubino Salvatore , Al‐Ahdal Mohammed N.
Published: March 2018

The fungal community of six sand samples from Saudi Arabia and Jordan deserts was characterized by culture‐independent analysis via next generation sequencing of the 18S rRNA genes and by culture‐dependent methods followed by sequencing of internal transcribed spacer (ITS) region. By 18S sequencing were identified from 163 to 507 OTUs per sample, with a percentage of fungi ranging from 3.5% to 82.7%. The identified fungal Phyla were Ascomycota, Basal fungi, and Basidiomycota and the most abundant detected classes were Dothideomycetes, Pezizomycetes, and Sordariomycetes. A total of 11 colonies of filamentous fungi were isolated and cultured from six samples, and the ITS sequencing pointed toward five different species of the class Sordariomycetes, belonging to genera Fusarium (F. redolens, F. solani, F. equiseti), Chaetomium (C. madrasense), and Albifimbria (A. terrestris). The results of this study show an unexpectedly large fungal biodiversity in the Middle East desert sand and their possible role and implications on human health.