bluuebunny/crossref_metadata_2025 huggingface dataset:
High‐Efficiency Fullerene Solar Cells Enabled by a Spontaneously Formed Mesostructured CuSCN‐Nanowire Heterointerface
Authors: Sit Wai‐Yu , Eisner Flurin D. , Lin Yen‐Hung , Firdaus Yuliar , Seitkhan Akmaral , Balawi Ahmed H. , Laquai Frédéric , Burgess Claire H. , McLachlan Martyn A. , Volonakis George , Giustino Feliciano , Anthopoulos Thomas D.
Published: February 2018

Fullerenes and their derivatives are widely used as electron acceptors in bulk‐heterojunction organic solar cells as they combine high electron mobility with good solubility and miscibility with relevant semiconducting polymers. However, studies on the use of fullerenes as the sole photogeneration and charge‐carrier material are scarce. Here, a new type of solution‐processed small‐molecule solar cell based on the two most commonly used methanofullerenes, namely [6,6]‐phenyl‐C61‐butyric acid methyl ester (PC60BM) and [6,6]‐phenyl‐C71‐butyric acid methyl ester (PC70BM), as the light absorbing materials, is reported. First, it is shown that both fullerene derivatives exhibit excellent ambipolar charge transport with balanced hole and electron mobilities. When the two derivatives are spin‐coated over the wide bandgap p‐type semiconductor copper (I) thiocyanate (CuSCN), cells with power conversion efficiency (PCE) of ≈1%, are obtained. Blending the CuSCN with PC70BM is shown to increase the performance further yielding cells with an open‐circuit voltage of ≈0.93 V and a PCE of 5.4%. Microstructural analysis reveals that the key to this success is the spontaneous formation of a unique mesostructured p–n‐like heterointerface between CuSCN and PC70BM. The findings pave the way to an exciting new class of single photoactive material based solar cells.
Stress‐Relieved Nanowires by Silicon Substitution for High‐Capacity and Stable Lithium Storage
Authors: He Ting , Feng Jianrui , Zhang Yan , Zu Lianhai , Wang Guichang , Yu Yan , Yang Jinhu
Published: February 2018

Silicon is promising as a high energy anode for next‐generation lithium‐ion batteries. However, severe capacity fading upon cycling associated with huge volume change is still an obstacle for silicon toward practical applications. Herein, the authors report that Si‐substituted Zn2(GeO4)0.8(SiO4)0.2 nanowires can effectively suppress volume expansion effect, exhibiting high specific capacity (1274 mA h g−1 at 0.2 A g−1 after 700 cycles) and ultralong cycling stability (2000 cycles at 5 A g−1 with a capacity decay rate of 0.008% per cycle), which represents outstanding comprehensive performance. The superior performance is ascribed to the substitution of Si atom that imparts to the nanowires not only high reactivity and reversibility, but also the unique stress‐relieved property upon lithiation which is further confirmed by detailed density‐functional theory computation. This work provides a new guideline for designing high‐performance Si‐based materials toward practical energy storage applications.
Supra‐monolayer coverages on small metal clusters and their effects on H2 chemisorption particle size estimates
Authors: Almithn Abdulrahman S. , Hibbitts David D.
Published: February 2018

H2 chemisorption measurements are used to estimate the size of supported metal particles, often using a hydrogen‐to‐surface‐metal stoichiometry of unity. This technique is most useful for small particles whose sizes are difficult to estimate through electron microscopy or X‐ray diffraction. Undercoordinated metal atoms at the edges and corners of particles, however, make up large fractions of small metal clusters, and can accommodate multiple hydrogen atoms leading to coverages which exceed 1 ML (supra‐monolayer). Density functional theory was used to calculate hydrogen adsorption energies on Pt and Ir particles (38–586 atoms, 0.8–2.4 nm) at high coverages (≤3.63 ML). Calculated differential binding energies confirm that Pt and Ir (111) single‐crystal surfaces saturate at 1 ML; however, Pt and Ir clusters saturate at supra‐monolayer coverages as large as 2.9 ML. Correlations between particle size and saturation coverage are provided that improve particle size estimates from H2 chemisorption for Pt‐group metals. © 2018 American Institute of Chemical Engineers AIChE J, 64: 3109–3120, 2018
Dynamics of pristine graphite and graphene at an air‐water interface
Authors: Goggin David M. , Samaniuk Joseph R.
Published: February 2018

We examine the dynamics and morphology of graphitic films at an air‐water interface in a Langmuir trough by varying interfacial surface coverage, by observing in situ interfacial structure, and by characterizing interfacial structure of depositions on mica substrates. In situ interfacial structure is visualized with Brewster angle microscopy and depositions of the interface are characterized with atomic force microscopy and field‐emission scanning electron microscopy. Compression/expansion curves exhibit a monotonically decreasing surface pressure between consecutive compressions, but demonstrate a “rebound” of hysteretic behavior when the interface is allowed to relax between consecutive compressions. This dynamic results from a competition between consolidation of the interface via agglomeration of particles or the stacking of graphene sheets, and a thermally‐driven relaxation where nanometer‐thick particles are able to overcome capillary interactions. These results are especially relevant to applications where functional films with controlled conductivity and transparency may be produced via liquid‐phase deposition methods. © 2018 American Institute of Chemical Engineers AIChE J, 64: 3177–3187, 2018
Medical treatment of epistaxis in hereditary hemorrhagic telangiectasia: an evidence‐based review
Authors: Halderman Ashleigh A. , Ryan Matthew W. , Clark Christopher , Sindwani Raj , Reh Douglas D. , Poetker David M. , Invernizzi Rosangela , Marple Bradley F.
Published: February 2018

Background

Hereditary hemorrhagic telangiectasia (HHT) is an autosomal dominant hereditary disorder resulting in vascular dysplasia and formation of arteriovenous malformations. Recurrent epistaxis is a hallmark of the disease. An array of medical therapies are used in this patient population, but robust evidence‐based recommendations regarding the medical treatment of epistaxis are lacking. This systematic review was performed to look at the current literature and make meaningful evidence‐based recommendations.

Methods

A search of the Ovid MEDLINE, Embase, and Cochrane databases was conducted by a research librarian. Abstracts in the English language and published in a peer‐review journal were reviewed for relevance and inclusion. PRISMA guidelines were followed.

Results

Eighteen studies met the inclusion criteria. In a few small studies, thalidomide was shown to consistently improve severity and frequency of epistaxis and improve hemoglobin concentrations while decreasing the need for transfusion. Tranexamic acid appeared to only impact the epistaxis severity score and not other clinical outcomes. Selective estrogen modulators (SERMs), propranolol, rose geranium oil, and N‐acetylcysteine, have demonstrated promising efficacy in small trials.

Conclusion

Appropriate medical therapies for epistaxis outcomes in HHT remain undefined, and there is no “gold standard.” Many of the studies are small and the data reported are heterogeneous, and therefore the ability to make strong evidence‐based recommendations is limited. However, many different medications appear to be promising options.
Activation of pial and dural macrophages and dendritic cells by cortical spreading depression
Authors: Schain Aaron J. , Melo‐Carrillo Agustin , Borsook David , Grutzendler Jaime , Strassman Andrew M. , Burstein Rami
Published: February 2018

Objective

Cortical spreading depression (CSD) has long been implicated in migraine attacks with aura. The process by which CSD, a cortical event that occurs within the blood–brain barrier (BBB), results in nociceptor activation outside the BBB is likely mediated by multiple molecules and cells. The objective of this study was to determine whether CSD activates immune cells inside the BBB (pia), outside the BBB (dura), or in both, and if so, when.

Methods

Investigating cellular events in the meninges shortly after CSD, we used in vivo two‐photon imaging to identify changes in macrophages and dendritic cells (DCs) that reside in the pia, arachnoid, and dura and their anatomical relationship to TRPV1 axons.

Results

We found that activated meningeal macrophages retract their processes and become circular, and that activated meningeal DCs stop migrating. We found that CSD activates pial macrophages instantaneously, pial, subarachnoid, and dural DCs 6‐12 minutes later, and dural macrophages 20 minutes later. Dural macrophages and DCs can appear in close proximity to TRPV1‐positive axons.

Interpretation

The findings suggest that activation of pial macrophages may be more relevant to cases where aura and migraine begin simultaneously, that activation of dural macrophages may be more relevant to cases where headache begins 20 to 30 minutes after aura, and that activation of dural macrophages may be mediated by activation of migratory DCs in the subarachnoid space and dura. The anatomical relationship between TRPV1‐positive meningeal nociceptors, and dural macrophages and DCs supports a role for these immune cells in the modulation of head pain. Ann Neurol 2018;83:508–521
A Fluorescent Ditopic Rotaxane Ion‐Pair Host
Authors: Denis Mathieu , Qin Lei , Turner Peter , Jolliffe Katrina A. , Goldup Stephen M.
Published: February 2018

We report a rotaxane based on a simple urea motif that binds Cl− selectively as a separated ion pair with H+ and reports the anion binding event through a fluorescence switch‐on response. The host selectively binds Cl− over more basic anions, which deprotonate the framework, and less basic anions, which bind more weakly. The mechanical bond also imparts size selectivity to the ditopic host.
KCa(H2O)2[FeIII(CN)6]⋅H2O Nanoparticles as an Antimicrobial Agent against Staphylococcus aureus
Authors: Wang Zhongxia , Yu Bing , Alamri Huda , Yarabarla Sriramakrishna , Kim Min‐Ho , Huang Songping D.
Published: February 2018

Biocompatible nanoparticles based on a calcium analogue of Prussian blue were designed and synthesized to take advantage of their ability to penetrate the cell membrane in Staphylococcus aureus and to undergo selective ion exchange with intracellular iron to disrupt iron metabolism in such pathogenic bacteria for antibacterial applications. KCa(H2O)2[FeIII(CN)6]⋅H2O nanoparticles penetrate the bacterial cell membrane and sequester intracellular iron by ion exchange to form insoluble Prussian blue, thus inhibiting bacterial growth.
A Robust 3D Cage‐like Ultramicroporous Network Structure with High Gas‐Uptake Capacity
Authors: Mahmood Javeed , Kim Seok‐Jin , Noh Hyuk‐Jun , Jung Sun‐Min , Ahmad Ishfaq , Li Feng , Seo Jeong‐Min , Baek Jong‐Beom
Published: February 2018

A three‐dimensional (3D) cage‐like organic network (3D‐CON) structure synthesized by the straightforward condensation of building blocks designed with gas adsorption properties is presented. The 3D‐CON can be prepared using an easy but powerful route, which is essential for commercial scale‐up. The resulting fused aromatic 3D‐CON exhibited a high Brunauer–Emmett–Teller (BET) specific surface area of up to 2247 m2 g−1. More importantly, the 3D‐CON displayed outstanding low pressure hydrogen (H2, 2.64 wt %, 1.0 bar and 77 K), methane (CH4, 2.4 wt %, 1.0 bar and 273 K), and carbon dioxide (CO2, 26.7 wt %, 1.0 bar and 273 K) uptake with a high isosteric heat of adsorption (H2, 8.10 kJ mol−1; CH4, 18.72 kJ mol−1; CO2, 31.87 kJ mol−1). These values are among the best reported for organic networks with high thermal stability (ca. 600 °C).
Quantitative Monitoring and Visualization of Hydrogen Sulfide In Vivo Using a Luminescent Probe Based on a Ruthenium(II) Complex
Authors: Du Zhongbo , Song Bo , Zhang Wenzhu , Duan Chengchen , Wang Yong‐Lei , Liu Chaolong , Zhang Run , Yuan Jingli
Published: February 2018

Development of novel bioanalytical methods for monitoring of H2S is key toward understanding the physiological and pathological functions of this gasotransmitter in live organisms. A ruthenium(II)‐complex‐based luminescence probe, Ru‐MDB (MDB: 4’‐methyl‐[2,2’‐bipyridine]‐4‐yl)methyl 2‐((2,4‐dinitrophenyl)thio)benzoate), was developed by introducing a new H2S responsive masking moiety to a red‐emitting RuII luminophore. Cleavage of this masking group by a H2S‐triggered reaction leads to a luminescence “off–on” response. The long‐lived emissions of Ru‐MDB and its reaction product with H2S allowed quantitative detection of H2S in autofluorescence‐rich human sera and adult zebrafish organs using the time‐gated luminescence mode. Ru‐MDB exhibits red emission, a large Stokes shift, high specificity and sensitivity for H2S detection, and low cytotoxicity, which enables imaging and flow cytometry analysis of lysosomal H2S generation in live inflamed cells under drug stimulation. Monitoring of H2S in live Daphnia magna, zebrafish embryos, adult zebrafish, and mice, was conducted by in vivo imaging using Ru‐MDB as a probe.
Template Synthesis of Three‐Dimensional Hexakisimidazolium Cages
Authors: Sun Li‐Ying , Sinha Narayan , Yan Tao , Wang Yi‐Shou , Tan Tristan T. Y. , Yu Le , Han Ying‐Feng , Hahn F. Ekkehardt
Published: February 2018

A procedure for the synthesis of three‐dimensional hexakisimidazolium cage compounds has been developed. The reaction of the trigonal trisimidazolium salts H3L(PF6)3, decorated with three N‐olefinic pendants, and silver oxide yielded trinuclear trisilver(I) hexacarbene molecular cylinders of the type [Ag3L2]3+ with the olefinic pendants from the two different tricarbene ligands arranged in three pairs. Subsequent UV irradiation gave three cyclobutane links between the two tris‐NHC ligands in three [2+2] cycloaddition reactions, thereby generating a three‐dimensional hexakis‐NHC ligand. Removal of the metal ions resulted in the formation of three‐dimensional hexakisimidazolium cages with a large internal cavity.
Dispersion and exfoliation of nanoclays in itaconic acid funcionalized LDPE by ultrasound treatment
Authors: Martínez‐Colunga Juan Guillermo , Sánchez‐Valdes Saúl , Blanco‐Cardenas Armida , Ramírez‐Vargas Eduardo , Ramos‐de Valle Luis Francisco , Benavides‐Cantu Roberto , Espinoza‐Martinez Adriana Berenice , Sanchez‐Lopez Santiago , Lozano‐Ramirez Tomas , Lafleur Pierre G. , Karami Shahir
Published: February 2018

Polyethylene–montmorillonite nanocomposites were prepared in the melt applying various ultrasonic powers (231, 347, and 462 W) and temperatures (185, 200, and 215 °C) in the presence of itaconic acid. Dispersion–exfoliation of montmorillonite and in situ low density polyethylene functionalization with itaconic acid were carried out by ultrasound assisted extrusion process. Clay dispersion and exfoliation was evaluated by X‐ray diffraction (XRD) and electronic microscopy (STEM). The degree of grafting itaconic acid into low density polyethylene (LDPE) was determined by infrared analysis (FTIR) and titration technics. Ultrasound‐treated nanocomposites showed improved clay dispersion compared with non‐treated ones. Mechanical properties, XRD, and STEM microscopy indicated that the grafting level, clay dispersion, and exfoliation was directly influenced by IA concentration, temperature, and ultrasonic energy. For instance, the itaconic acid grafted into LDPE was improved from 0.13% to 0.71% when ultrasound power was increased and when temperature was reduced. The modulus was enhanced up to 225 MPa when the ultrasound power was increased up to 462 W. The nanocomposites decomposition temperature, determined by thermogravimetric analysis, was increased nearly 20 °C when 1% w/w itaconic acid was used. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46260.
Biodegradable porous organosilicone‐modified collagen fiber matrix: Synthesis and high oil absorbency
Authors: Du Weining , Dai Guochen , Wang Baochuan , Li Zhengjun , Li Lixin
Published: February 2018

We used hexadecyl trimethyl ammonium bromide as a phase transfer catalyst (PTC) to enhance the effectiveness of a heterogeneous reaction system composed of collagen fiber (CF) and organosilicone modifying agents including epoxy‐polydimethylsiloxane (ES) and/or γ‐glycidoxypropylthrimethoxysilane (GS), in order to improve oil sorption behaviors of the modified products as sorbents. The effects of PTC dosage, organosilicone species or its dosage on the degree of modification of CFs were studied, and the optimum conditions were determined. Subsequently, the surface chemistry and porous structure of the prepared sorbents were thoroughly characterized, and their oil sorption behaviors were also investigated. It was confirmed that both their hydrophobicity‐oleophilicity character and pore structures could be significantly improved by introducing PTC agent and modulating the species or amount of organosilicone, resulting in improved oil sorption behaviors. In addition, the organosilicone modified CF matrix possessed acceptable reusability and biodegradability, and can be implemented as an eco‐friendly sorbent for oil spill cleanup. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46264.
Preparation of a modified diatomite filler via polyethyleneimine impregnation and its application in papermaking
Authors: Shang Wei , Qian Xueren , Yu Dayu
Published: February 2018

In this study, we sequentially modified diatomite (DM) particles with sodium dodecyl sulfate and polyethyleneimine with an impregnation method. Modified DM was used as both a filler and an anionic trash catcher in the papermaking process. The surface morphology, ζ potential, particle size, and Fourier transform infrared spectrum of the modified DM were investigated, and the application performance of the modified DM was evaluated through filler retention, ζ potential, drainability, and cationic demand of the papermaking furnish and the paper strength properties. The results show that the modified DM could be used as a good, novel filler in papermaking. The ζ potential of the surface of the modified DM particles was changed from electronegative to electropositive, and the particle size of the modified DM particles was increased. The retention of the modified DM filler was 16% higher than that of the unmodified DM when the filler dosage was 40%. The higher ζ potential was responsible for the higher retention of the modified DM filler. The drainability of the papermaking furnish was improved efficiently. The anionic trash in the papermaking system was anchored efficiently, and the cationic demand of the papermaking furnish decreased over 85% when the dosage of modified DM was 35%. Compared with the handsheets filled with unmodified DM, the handsheets filled with modified DM had higher strength properties. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46275
Self‐Assembly of Achiral Shape Amphiphiles into Multi‐Walled Nanotubes via Helicity‐Selective Nucleation and Growth
Authors: Ren Li‐Jun , Wu Han , Hu Min‐Biao , Wei Yu‐Han , Lin Yue , Wang Wei
Published: February 2018

Soft nanotubes are normally constructed from chiral amphiphiles through helical self‐assembly. Yet, how to self‐assemble achiral molecules into nanotubes is still a challenge. Here, we report the nanotube construction with achiral shape amphiphiles through helical self‐assembly and also unravel the formation mechanisms. The amphiphiles have a dumbbell shape and are composed by covalently linking three achiral moieties together: two unlike clusters and an organic tether. The difference in polarity between the unlike clusters drives the amphiphiles to self‐assemble into single‐ and multi‐walled nanotubes as well as intermediates. Analysis of the key intermediates unravels the self‐assembly mechanism of helicity‐selective nucleation and growth. Meanwhile, direct visualization of the individual clusters in the ribbons displays a two‐dimensional deformed hexagonal lattice. Thus, we speculate that it is the lattice deformation that creates anisotropic tension along different directions of the ribbon which further results in the formation of helical ribbons towards nanotubes by amphiphiles.
Li7Cd4.5Ge4Se16 and Li6.4Cd4.8Sn4Se16: Strong Nonlinear Optical Response in Quaternary Diamond‐Like Selenide Networks
Authors: Guo Yangwu , Li Xiaoshuang , Feng Kai , Li Chao , Zhou Molin , Wu Yicheng , Yao Jiyong
Published: February 2018

Two new selenides with diamond‐like structures, Li7Cd4.5Ge4Se16 and Li6.4Cd4.8Sn4Se16, were synthesized by using a conventional high‐temperature solid‐state reaction method. They crystallize in the space group Pna21 (no. 33) of the orthorhombic system. Their three‐dimensional frameworks consist of corner‐sharing LiSe4, CdSe4, and MSe4 (M=Ge, Sn) tetrahedra. These two compounds exhibit strong powder second‐harmonic generation responses that are about 1.2 and 2.5 times that of the benchmark AgGaS2 at a laser wavelength of λ=2.09 μm, and also demonstrate type I phase‐matchable behavior. The optical bandgaps were determined to be 2.18 and 1.95 eV for Li7Cd4.5Ge4Se16 and Li6.4Cd4.8Sn4Se16, respectively. Furthermore, these two materials exhibit congruent melting behavior at rather low temperatures of 985 and 1060 K, respectively, which makes bulk single crystal growth by using the Bridgman–Stockbarger method possible. Our study indicates that these two materials show advantages over the traditional IR NLO material CdSe and are promising for practical applications.
Synthesis of N‐Doped Mesoporous Carbon Nanorods through Nano‐Confined Reaction: High‐Performance Catalyst Support for Hydrogenation of Phenol Derivatives
Authors: Liu Xueteng , Pang Fei , Ge Jianping
Published: February 2018

Traditional hard‐template methods for the preparation of mesoporous carbon structures have been well developed, but there are difficulties associated with complete filling of the organic precursors in ordered mesochannels and exact replication of the templates. Herein, mesoporous carbon nanorods (meso‐CNRs) were synthesized through thermal condensation of furfuryl alcohol followed by the nano‐confined decomposition of polyfurfuryl alcohol in silica nanotubes (SiO2 NTs) with porous shells. Limited and slow release of gaseous water through the porous shells and finite polyfurfuryl precursor inside silica nanotubes are responsible for the formation of the mesoporous structures. Nitrogen can be doped into the meso‐CNRs by adding guanidine hydrochloride to the precursors. The nitrogen dopant not only stabilizes the ultrasmall and active Pd nanocatalyst in the meso‐CNRs but also increases the electron density of Pd and accelerates the dissociation of H2, both of which increase the catalytic activity of the Pd catalyst in hydrogenation reactions.
Multicomponent Synthesis of Isoindolinone Frameworks via RhIII‐Catalysed in situ Directing Group‐Assisted Tandem Oxidative Olefination/Michael Addition
Authors: Wang Liang , Liu Xi , Liu Jian‐biao , Shen Jun , Chen Qun , He Ming‐yang
Published: February 2018

A RhIII‐catalysed three‐component synthesis of isoindolinone frameworks via direct assembly of benzoyl chlorides, o‐aminophenols and activated alkenes has been developed. The process involves in situ generation of o‐aminophenol (OAP)‐based bidentate directing group (DG), RhIII‐catalysed tandem ortho C−H olefination and subsequent cyclization via aza‐Michael addition. This protocol exhibits good chemoselectivity and functional group tolerance. Computational studies showed that the presence of hydroxyl group on the N‐aryl ring could enhance the chemoselectivity of the reaction.
Which One is Bulkier: The 3,5‐Dimethylphenyl or the 2,6‐Dimethylphenyl Group? Development of Size‐Complementary Molecular and Macromolecular [2]Rotaxanes
Authors: Sato Hiroki , Aoki Daisuke , Takata Toshikazu
Published: February 2018

We developed novel size‐complementary molecular and macromolecular rotaxanes using a 2,6‐dimethylphenyl terminal group as the axle‐end‐cap group in dibenzo‐24‐crown‐8‐ether (DB24C8)‐based rotaxanes, where the 2,6‐dimethylphenyl group was found to be less bulky than the 3,5‐dimethylphenyl group. A series of molecular and macromolecular [2]rotaxanes that bear a 2,6‐dimethylphenyl group as the axle‐end‐cap were synthesized using unsubstituted and fluorine‐substituted DB24C8. Base‐induced decomposition into their constituent components confirmed the occurrence of deslipping, which supports the size‐complementarity of these rotaxanes. The deslipping rate was independent of the axle length but dependent on the DB24C8 substituents. A kinetic study indicated the rate‐determining step was that in which the wheel is getting over the end‐cap group, and deslipping proceeded via a hopping‐over mechanism. Finally, the present deslipping behavior was applied to a stimulus‐degradable polymer as an example for the versatile utility of this concept in the context of stimulus‐responsive materials.
Biotechnological advances in lactic acid production by lactic acid bacteria: lignocellulose as novel substrate
Authors: Cubas‐Cano Enrique , González‐Fernández Cristina , Ballesteros Mercedes , Tomás‐Pejó Elia
Published: February 2018

The production of high added‐value products from lignocellulose is proposed as a suitable alternative to petroleum‐based resources in terms of environmental preservation, sustainability, and circular economy. Lactic acid is a versatile building block that can be produced via fermentative routes by several groups of microorganisms, including yeasts and microalgae, which are bacteria recognized to achieve the highest concentrations. Lactic acid, among other substances, can be used as a starting point in the production of poly‐lactic acid, which is a biopolymer with many applications due to its resistance, durability, biodegradability, and biocompatibility. Lactic acid production can be performed from lignocellulosic biomass. However, lactic acid production from lignocellulose faces several hurdles such as carbohydrate hydrolysis to release sugars, the co‐utilization of sugar mixtures by the fermenting microorganism, and the presence of degradation compounds released during pretreatment. In this review, a general overview of lactic‐acid bacterial fermentation from lignocellulose is provided, starting from the potential substrates and their composition, the different metabolic pathways involved, and the purification steps. The main challenges are discussed and the newest approaches to solve the limitations of the process are proposed. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd
Magnetic field pattern synthesis and its application in targeted drug delivery: Design and implementation
Authors: Hajiaghajani Amirhossein , Abdolali Ali
Published: February 2018

In cancer therapy, magnetic drug targeting is considered as an effective treatment to reduce chemotherapy's side effects. The accurate design and shaping of magnetic fields are crucial for healthy cells to be immune from chemotherapeutics. In this paper, arbitrary 2‐dimensional spatial patterns of magnetic fields from DC to megahertz are represented in terms of spatial Fourier spectra with sinusoidal eigenfunctions. Realization of each spatial frequency was investigated by a set of elliptical coils. Therefore, it is shown that the desired pattern was synthesized by simultaneous use of coil sets. Currents running on each set were obtained via fast and straightforward analytical Fourier series calculation. Experimentally scanned sample patterns were in close agreement with full wave analysis. Discussions include the evaluation of the Fourier series approximation error and cross‐polarization of produced magnetic fields. It was observed that by employing the controlled magnetic field produced by the proposed setup, we were able to steer therapeutic particles toward the right or left half‐spheres of the breast, with an efficiency of 90%. Such a pattern synthesizer may be employed in numerous human arteries as well as other bioelectromagnetic patterning applications, e.g., wireless power transfer, magnetic innervation, and tomography. Bioelectromagnetics. 39:325–338, 2018. © 2018 Wiley Periodicals, Inc.
Impact of CHO Metabolism on Cell Growth and Protein Production: An Overview of Toxic and Inhibiting Metabolites and Nutrients
Authors: Pereira Sara , Kildegaard Helene Faustrup , Andersen Mikael Rørdam
Published: February 2018

For over three decades, Chinese hamster ovary (CHO) cells have been the chosen expression platform for the production of therapeutic proteins with complex post‐translational modifications. However, the metabolism of these cells is far from perfect and optimized, and requires substantial know how and process optimization and monitoring to perform efficiently. One of the main reasons for this is the production and accumulation of toxic and growth‐inhibiting metabolites during culture. Lactate and ammonium are the most known, but many more have been identified. In this review, an overview of metabolites that deplete and accumulate throughout the course of cultivations with toxic and growth inhibitory effects to the cells is presented. Further, an overview of the CHO metabolism with emphasis to metabolic pathways of amino acids, glutathione (GSH), and related compounds which have growth‐inhibiting and/or toxic effect on the cells is provided. Additionally, relevant publications which describe the applications of metabolomics as a powerful tool for revealing which reactions occur in the cell under certain conditions are surveyed and growth‐inhibiting and toxic metabolites are identified. Also, a number of resources that describe the cellular mechanisms of CHO and are available on‐line are presented. Finally, the application of this knowledge for bioprocess and medium development and cell line engineering is discussed.
Metabolic Engineering of Lactobacillus plantarum for Direct l‐Lactic Acid Production From Raw Corn Starch
Authors: Okano Kenji , Uematsu Gentaro , Hama Shinji , Tanaka Tsutomu , Noda Hideo , Kondo Akihiko , Honda Kohsuke
Published: February 2018

Fermentative production of optically pure lactic acid (LA) has attracted great interest because of the increased demand for plant‐based plastics. For cost‐effective LA production, an engineered Lactobacillus plantarum NCIMB 8826 strain, which enables the production of optically pure l‐LA from raw starch, is constructed. The wild‐type strain produces a racemic mixture of d‐ and l‐LA from pyruvate by the action of the respective lactate dehydrogenases (LDHs). Therefore, the gene encoding D‐LDH (ldhD) is deleted. Although no decrease in d‐LA formation is observed in the ΔldhD mutant, additional disruption of the operon encoding lactate racemase (larA‐E), which catalyzes the interconversion between d‐ and l‐LA, completely abolished d‐LA production. From 100 g L−1 glucose, the ΔldhD ΔlarA‐E mutant produces 87.0 g L−1 of l‐LA with an optical purity of 99.4%. Subsequently, a plasmid is introduced into the ΔldhD ΔlarA‐E mutant for the secretion of α‐amylase from Streptococcus bovis 148. The resulting strain could produce 50.3 g L−1 of l‐LA from raw corn starch with a yield of 0.91 (g per g of consumed sugar) and an optical purity of 98.6%. The engineered L. plantarum strain would be useful in the production of l‐LA from starchy materials.
Single‐Molecule Kinetics of an Enzyme in the Presence of Multiple Substrates
Authors: Singh Divya , Chaudhury Srabanti
Published: February 2018

Herein, the catalytic activity of a single enzyme in the presence of multiple substrates is studied. Three different mechanisms of bisubstrate binding, namely, ordered sequential, random sequential and ping‐pong nonsequential pathway, are broadly discussed. By means of the chemical master equation approach, exact expressions for the waiting‐time distributions, the mean turnover time and the randomness parameter as a function of the substrate concentration, such that both concentrations are fixed, but one of them is changed quasi‐statically are obtained. The randomness parameter is not equal to unity at intermediate to high substrate concentrations, which indicates the presence of multiple rate‐limiting steps in the reaction pathway in all three modes of bisubstrate binding. This arises due to transitions between the free enzyme and the enzyme–substrate complexes that occur on comparable timescales. Such turnover statistics of the single enzyme can also distinguish between the different types of bisubstrate binding mechanisms.
Synthesis and Applications of Stenhouse Salts and Derivatives
Authors: Gomes Rafael F. A. , Coelho Jaime A. S. , Afonso Carlos A. M.
Published: February 2018

In recent years, Stenhouse salts have attracted much attention as intermediates for the synthesis of cyclopenten‐2‐enones. This Minireview aims to present an overview of the methods for preparation, further transformation and applications of Stenhouse and Stenhouse‐like salts. In this context, the Piancatelli rearrangement and its variants, and the recently reported donor–acceptor Stenhouse salts (DASA) will be addressed. The photophysical properties of DASA and its applications in colorimetric detection of amines, functionalization of polymers for detection of heat and nerve agents, photolithography and orthogonal photoswitching systems are discussed.
Aggregation‐Induced Emission (AIE) in Ag−Au Bimetallic Nanocluster
Authors: Jin Shan , Liu Wei , Hu Daqiao , Zou Xuejuan , Kang Xi , Du Wenjun , Chen Shuang , Wei Shiqiang , Wang Shuxin , Zhu Manzhou
Published: February 2018

Herein we report the synthesis and structure determination of a non‐fluorescent Au4Ag5(dppm)2(SAdm)6(BPh4) (dppm=bis(diphenylphosphino)methane and HSAdm=1‐adamantane mercaptan) nanocluster in methanol with extremely strong AIE when aggregating to the solid state (i.e., film or crystal). This phenomenon was rarely reported in structural determined noble metal nanoclusters. The extended X‐ray absorption fine structure (EXAFS) measurement ruled out the hypothesis that the luminescence originated from the structure change in different states. Besides, the crystal structure (determined by X‐ray diffraction) revealed that the tightly combined left‐ and right‐handed enantiomers induced the strong restriction of intramolecular motions (RIM), which may have an impact on aggregation‐induced emission.
Validation of molecular force field parameters for peptides including isomerized amino acids
Authors: Oda Akifumi , Nakayoshi Tomoki , Fukuyoshi Shuichi , Kurimoto Eiji , Yamaotsu Noriyuki , Hirono Shuichi , Takahashi Ohgi
Published: February 2018

Recently, stereoinversions and isomerizations of amino acid residues in the proteins of living beings have been observed. Because isomerized amino acids cause structural changes and denaturation of proteins, isomerizations of amino acid residues are suspected to cause age‐related diseases. In this study, AMBER molecular force field parameters were tested by using computationally generated nonapeptides and tripeptides including stereoinverted and/or isomerized amino acid residues. Energy calculations by using density functional theory were also performed for comparison. Although the force field parameters were developed by parameter fitting for l‐α‐amino acids, the accuracy of the computational results for d‐amino acids and β‐amino acids was comparable to those for l‐α‐amino acids. The conformational energies for tripeptides calculated by using density functional theory were reproduced more accurately than those for nonapeptides calculated by using the molecular mechanical force field. The evaluations were performed for the ff99SB, ff03, ff12SB, and the latest ff14SB force field parameters.
Inpatient utilization and disparities: The last year of life of adolescent and young adult oncology patients in California
Authors: Johnston Emily E. , Alvarez Elysia , Saynina Olga , Sanders Lee M. , Bhatia Smita , Chamberlain Lisa J.
Published: February 2018

BACKGROUND

Studies of adolescent and young adult (AYA) oncology end‐of‐life care utilization are critical because cancer is the leading cause of nonaccidental AYA death and end‐of‐life care contributes significantly to health care expenditures. This study was designed to determine the quantity of and disparities in inpatient utilization in the last year of life of AYAs with cancer.

METHODS

The California Office of Statewide Health Planning and Development administrative discharge database, linked to death certificates, was used to perform a population‐based analysis of cancer patients aged 15 to 39 years who died in 2000‐2011. The number of hospital days and the inpatient costs were determined for each patient in the last year of his or her life, as were clinical and sociodemographic factors associated with high inpatient utilization. Admission patterns as death approached were also evaluated.

RESULTS

The 12,883 patients were admitted for 40 days on average in the last year of life, and this cost $151,072 per patient in inpatient costs. As death approached, the admission rates and the percentage of all admissions occurring at nonspecialty centers increased. Five percent of patients used 20% of bed days in the last year (high utilizers). Factors associated with high utilization included younger age (15‐30 years), Hispanic ethnicity, non–health maintenance organization insurance, and hematologic malignancies.

CONCLUSIONS

AYA oncology decedents were admitted for 40 days in their last year of life. Subgroups with high utilization had distinct sociodemographic and clinical characteristics, and nonspecialty center admissions increased as death approached. This demonstrates the need for palliative care at nonspecialty centers. Future studies need to determine whether these patterns are goal‐concurrent, include high utilizers, and monitor the effects of health care reform. Cancer 2018;124:1819‐27. © 2018 American Cancer Society
Gluten‐free diet during pregnancy alleviates signs of diabetes and celiac disease in NOD mouse offspring
Authors: Haupt‐Jorgensen Martin , Larsen Jesper , Josefsen Knud , Jørgensen Tina Z. , Antvorskov Julie Christine , Hansen Axel K. , Buschard Karsten
Published: February 2018

Background

Gluten‐free (GF) diet during pregnancy ameliorates autoimmune diabetes in nonobese diabetic (NOD) mouse offspring. Due to comorbidity of celiac disease in type 1 diabetes, we hypothesized that GF diet in utero alleviates the humoral and histopathological signs of celiac disease in NOD mice. We aimed to establish the mechanisms behind the diabetes‐protective effect of GF diet in utero.

Methods

Breeding pairs of NOD mice were fed a GF or gluten‐containing standard (STD) diet until parturition. The offspring were nursed by mothers on STD diet and continued on this diet until ages 4 and 13 weeks. Analyses of serum antitissue transglutaminase (anti‐tTG) intestine and islet histology, islet transglutaminase (TG) activity, and cytokine expression in T cells from lymphoid organs were performed.

Results

GF versus STD diet in utero led to reduced serum anti‐tTG titre and increased villus‐to‐crypt ratio at both ages. Insulitis along with systemic and local inflammation were decreased, but islet TG activity was unchanged in 13‐week‐old GF mice. These mice had unchanged beta‐cell volumes, but increased islet numbers throughout the prediabetic period.

Conclusions

Collectively, GF diet administered during pregnancy improves signs of celiac disease and autoimmune diabetes in the offspring. The diabetes‐ameliorative effect of GF diet in utero is followed by dampening of inflammation, unchanged beta‐cell volume, but increased islet numbers.
Risk and resiliency factors related to body dissatisfaction and disordered eating: The identity disruption model
Authors: Vartanian Lenny R. , Hayward Lydia E. , Smyth Joshua M. , Paxton Susan J. , Touyz Stephen W.
Published: February 2018

Objective

The current study examined a theoretical model (the identity disruption model) linking negative early life experiences to body dissatisfaction and disordered eating via self‐concept clarity and sociocultural factors (internalization of beauty ideals and appearance comparison tendencies).

Method

1,023 participants (52% women) completed a series of questionnaires online, including measures of negative early life experiences and childhood abuse, self‐concept clarity, internalization of beauty ideals, appearance comparison tendencies, sociocultural pressure to improve one's appearance, body dissatisfaction, and disordered eating.

Results

Structural equation modeling indicated that self‐reported early adversity was associated with lower self‐concept clarity, which in turn was associated with greater internalization of beauty ideals and more frequent appearance comparisons. Internalization and appearance comparisons were associated with body image concerns, which in turn were associated with disordered eating and exercise behaviors. There were few sex differences in these paths.

Discussion

These findings provide initial conceptual support for the identity disruption model and extend previous models of body dissatisfaction and disordered eating to include processes that occur earlier in life. This model opens up the possibility for new interventions that are targeted toward those who are most vulnerable to developing body dissatisfaction and disordered eating.
Refinement of a theoretical trait space for North American trees via environmental filtering
Authors: Fell Michael , Ogle Kiona
Published: February 2018

We refer to a theoretical trait space (TTS) as an n‐dimensional hypervolume (hypercube) characterizing the range of values and covariations among multiple functional traits, in the absence of explicit filtering mechanisms. We previously constructed a 32‐dimensional TTS for North American trees by fitting the Allometrically Constrained Growth and Carbon Allocation (ACGCA) model to USFS Forest Inventory and Analysis (FIA) data. Here, we sampled traits from this TTS, representing different individual “trees,” and subjected these trees to a series of gap dynamics simulations resulting in different annual light levels to explore the impact of environmental filtering (light stress) on the trait space. Variation in light limitation led to non‐random mortality and a refinement of the TTS. We investigated potential mechanisms underlying such filtering processes by exploring how traits and the environment relate to mortality rates at the tree, phenotype (a specific set of trait values), and stand (a specific gap scenario) levels. The average light level at the forest floor explained 42% of the stand‐level mortality, while phenotype‐ and tree‐level mortality were best explained by six functional traits, especially radiation‐use efficiency, maximum tree height, and xylem conducting area to sapwood area ratio (γX). These six “mortality” traits and six traits related to the leaf and wood economics spectra were used to construct trait hypercubes represented by trees that died or survived each gap scenario. For trees that survived, the volume of their refined trait space decreased linearly with increasing stand‐level mortality (up to ~50% mortality); the location also shifted, as indicated by non‐zero distances between the hypercube centroids of surviving trees compared to dead trees and the original TTS. Overall, the patterns were consistent with empirical studies of functional traits, in terms of which traits predict mortality and the direction of the relationships. This work, however, also identified potentially important functional traits that are not commonly measured in empirical studies, such as γX and senescence rates of relatively long‐lived tissues.
MADA: Malagasy Animal trait Data Archive
Authors: Razafindratsima Onja H. , Yacoby Yasmin , Park Daniel S.
Published: February 2018

Species are characterized by their behavioral, physiological, and ecological attributes, which determine their role in ecosystems. In turn, ecosystems and their functions are defined by the species that inhabit them. Thus, evaluating the functional diversity and distributions of species is of utmost importance to studies of biogeography, community ecology, macroevolution, and conservation. The functional diversity of species are determined by traits such as diet, foraging strata, trophic level, activity cycle, litter size, generation length, habitat breadth, and body mass. While there has been a recent growth of information regarding the vertebrate taxa of Madagascar, this information is not always easy to access (non‐digitized), and is often fragmented by taxon, location, trait, or combinations thereof. Here, we present the Malagasy Animal trait Data Archive (MADA), a compilation of these and other functional traits, representing the ecological and geographical diversity of all 214 extant mammal and 242 bird species of Madagascar. Data were collected from extensive literature reviews. This Archive is currently limited by select cases of missing data, errors, and uncertainty in the literature; however, it represents the most comprehensive collection of functional trait data of Malagasy mammals and birds to date. The structure of the database allows for different levels of information (and specificity) in each entry and organization by taxon, range, bioclimate, and trait. MADA will be continuously updated as new data become available. Potential uses of MADA include ecological research on the trait or trophic structure of communities, inquiries regarding the mechanisms of community assembly, comparative studies of functionally (dis)similar species, and conservation efforts concerned with the loss of ecosystem function. Madagascar is simultaneously home to one of the most exclusive, diverse, and endangered faunas of the world, making MADA a uniquely valuable resource for biodiversity science and conservation. No copyright restrictions are associated with this dataset. We would appreciate that researchers cite this paper if using all or part of the datasets.
Propagules are not all equal: traits of vegetative fragments and disturbance regulate invasion success
Authors: Uyà Marc , Bulleri Fabio , Gribben Paul E.
Published: February 2018

Invasion success is regulated by multiple factors. While the roles of disturbance and propagule pressure in regulating the establishment of non‐native species are widely acknowledged, that of propagule morphology (a proxy for quality) is poorly known. By means of a multi‐factorial field experiment, we tested how the number (5 vs. 10) and quality (intact, without fronds or without rhizoids) of fragments of the clonal invasive seaweed, Caulerpa cylindracea, influenced its ability to establish in patches of the native seagrass, Posidonia oceanica, exposed to different intensities of disturbance (0, 50, or 100% reduction in canopy cover). We hypothesized that the ability of fragments to establish would be greater for intact fragments (high quality) and reduced more by frond removal (low quality) than rhizoid removal (intermediate quality). At low propagule pressure or quality, fragment establishment was predicted to increase with increasing disturbance, whereas, at high propagule pressure or quality, it was predicted to be high regardless of disturbance intensity. Disturbance intensity, fragment number and quality had independent effects on C. cylindracea establishment success. Disturbance always facilitated fragment establishment. However, fragments retaining fronds, either intact or deprived of rhizoids, had higher establishment success than fragments deprived of fronds. Increasing propagule number had weak effects on the cover of C. cylindracea. Our results demonstrate that propagule traits enabling the acquisition of resources made available by disturbance can be more important than propagule number in determining the establishment and spread of clonal non‐native plants. More generally, our study suggests that propagule quality is a key, yet underexplored, determinant of invasion success.