bluuebunny/crossref_metadata_2025 huggingface dataset:
Climatology of seasonal snowfall accumulation across the Sierra Nevada (USA): Accumulation rates, distributions, and variability
Authors: Huning Laurie S. , Margulis Steven A.
Published: July 2017

A detailed picture of how snowfall varies across high‐elevation mountain ranges in both space and time remains a knowledge gap in understanding the montane hydrologic cycle. Previous studies generally used point‐scale snow measurements in an attempt to represent the spatial variability of snowfall across a range; however, these traditional approaches provide incomplete insight into the cumulative snowfall (CS) distribution from the basin‐scale to the mountain range‐scale. In this study, a high‐resolution, spatially distributed snow reanalysis was utilized to characterize 31 winters (water years 1985–2015) of snowfall distributions, snowfall accumulation rates, and snowstorms across the Sierra Nevada (USA). The CS data set (quantified in units of snow water equivalent) was verified against over 2600 station years of in situ observations. The seasonal CS was found to have mean and root‐mean‐squared differences of −4 and 12 cm, respectively, and a correlation of 0.96 with snow pillow observations. Using this novel CS information, results indicated that the CS accumulates rapidly across all 20 basins examined with, on average, at least 50% of the integrated CS accumulating in less than or equal to 6 days or three snowstorms over each basin. The largest (or leading) snowstorms each season yield ∼27% of the CS, on average, and most frequently last 4 days. Across the range, over 40% of the leading snowstorms occur in February. This study showed that the hydroclimatology of the Sierra Nevada is driven by hydrological extremes as manifested in the high interannual variability of its seasonally integrated CS, 4.4–41.3 km3, during the 31 years.
Baskets and Architecture: Ritualistic Making and Collective Design
Authors: Aranda Benjamin , Lasch Chris
Published: July 2017

Is algorithmic design and fabrication really a new thing? Not according to Benjamin Aranda and Chris Lasch, co‐founders of New York and Tucson‐based design studio Aranda\Lasch. Through over a decade of collaborations with a Native American basket weaver, they have observed clear parallels between age‐old craft forms and contemporary architectural processes. Here they give their account of the outcomes of these collaborations to date, including an ongoing project for sophisticated collective construction to serve indigenous communities.
2060: An Autonomously Crafted Built Environment
Authors: Simondetti Alvise , Luebkeman Chris , Uerz Gereon
Published: July 2017

By 2060, smart technology will allow every aspect of our surroundings to be optimised for efficiency and customisable to our desires. From street lighting, to building maintenance, to hotel interiors, to flood protection – this is the future as imagined by Alvise Simondetti, Chris Luebkeman and Gereon Uerz of Arup's Foresight + Research + Innovation team. After setting out their vision of what lies ahead, they highlight several recent projects that they have worked on with high‐profile architects around the globe: projects that pave the way to a world where fine crafting and intelligent design are for the masses rather than the few. This is all set in context by a piece that outlines the evolutionary steps that have been triggered by disruptive technological shifts.
Crystallography of Martensitic Transformation in Epitaxial Ni50Mn30Ga20 Thin Film
Authors: Yang Bo , Liu Tingting , Hao Xiao Wen , Li Zong Bin , Zhang Yu Dong , Qin Gao Wu , Philippe Marie‐Jeanne , Esling Claude , Zhao Xiang , Zuo Liang
Published: July 2017

In the present work, scanning electron microscopy and electron backscatter diffraction technique revealed that the microstructure of epitaxial Ni50Mn30Ga20 thin films are composed of six different orientated NM martensite variant colonies. In each martensite variant colony, there are eight different orientated NM martensite variants. The six NM and 7M martensite variant colonies are transformed from six (101)A planes of austenite, with the transformation consequence from Austenite to 7M martensite and then to NM martensite. Cross section TEM examination reveals the coexistence of 7M martensite and NM martensite. The habit plane between 7M martensite and NM martensite can be determined as (001)mono of 7M martensite and (112)Tetr of NM martensite.
Tailoring the Microstructure and Mechanical Property of AZ80 Alloys by Multiple Twinning and Aging Precipitation
Authors: Wang Chunpeng , Xin Renlong , Li Dongrong , Song Bo , Liu Zhe , Liu Qing
Published: July 2017

AZ80 alloy is a relatively inexpensive age‐hardenable Mg alloy. To improve its precipitation strengthening effect, the discontinuous precipitates generally nucleating from grain boundaries should be reduced. In this study, the authors applied strain‐path change compression on a wrought AZ80 alloy to generate multiple {10‐12} twins and then the pre‐deformed alloy is subjected to aging at 180 °C for different period. The effects of the pre‐generated twins on precipitation behavior and hence the mechanical properties are investigated. It is found that multiple {10‐12} twins are formed in the AZ80 alloy after two paths of compressions along the transverse and rolling directions. Consequently, continuous precipitation is largely promoted during the subsequent aging process. Moreover, the continuous precipitates preferred to form inside the {10‐12} twin lamellae. Discontinuous precipitation is almost inhibited during aging at 180 °C for 4–96 h in the sample containing many multiple twins. Compare to the directly peak‐aged sample, the pre‐twinned and subsequently peak‐aged alloys generally exhibit greatly superior mechanical properties. The yield strength, ultimate strength, and elongation for tension along RD are 242 MPa, 476 MPa, and 19.4%, respectively. These excellent properties are attributed to the combined effects of grain refinement, texture weakening, and enhanced precipitate strengthening.
Flexible Filter‐Free Narrowband Photodetector with High Gain and Customized Responsive Spectrum
Authors: Gao Liang , Ge Cong , Li Wenhui , Jia Chuancheng , Zeng Kai , Pan Weicheng , Wu Haodi , Zhao Yang , He Yisu , He Jungang , Zhao Zhixin , Niu Guangda , Guo Xuefeng , de Arquer F. Pelayo Garcia , Sargent Edward H. , Tang Jiang
Published: July 2017

Conventional narrowband photodetection is enabled by coupling broadband photodetectors with complex optical filters. The recently reported charge collection narrowing, an alternative filter‐free strategy, attains very narrowband photodetection at the sacrifice of sensitivity. Herein, a new strategy is proposed to customize the responsive spectrum with high gain by using dye molecules with intrinsically versatile and narrowband absorption. The device configuration is organic dye/Zn0.9Mg0.1O nanoparticles/graphene, where the organic dye serves as the narrowband absorber, graphene serves as the fast carrier transport channel, and Zn0.9Mg0.1O nanoparticles play a triple role of enhancing dye loading, suppressing dye aggregation and blocking charge back recombination. A high responsivity of 8 × 103 A W−1 is thus obtained at a 530 nm response peak with a 60 nm full‐width at half maximum, a four orders of magnitude increase in sensitivity compared to the best narrowband photodetectors reported to date under the comparable electric field. Organic dyes with dual‐band absorption to demonstrate narrowband photodetectors with customized responsive spectrum are further implemented. The approach opens the way to the realization of efficient flexible narrowband photodetection for electronic skin and wearable electronic applications.
Synthesis and Biological Evaluation of Ionizable Lipid Materials for the In Vivo Delivery of Messenger RNA to B Lymphocytes
Authors: Fenton Owen S. , Kauffman Kevin J. , Kaczmarek James C. , McClellan Rebecca L. , Jhunjhunwala Siddharth , Tibbitt Mark W. , Zeng Manhao D. , Appel Eric A. , Dorkin Joseph R. , Mir Faryal F. , Yang Jung H. , Oberli Matthias A. , Heartlein Michael W. , DeRosa Frank , Langer Robert , Anderson Daniel G.
Published: July 2017

B lymphocytes regulate several aspects of immunity including antibody production, cytokine secretion, and T‐cell activation; moreover, B cell misregulation is implicated in autoimmune disorders and cancers such as multiple sclerosis and non‐Hodgkin's lymphomas. The delivery of messenger RNA (mRNA) into B cells can be used to modulate and study these biological functions by means of inducing functional protein expression in a dose‐dependent and time‐controlled manner. However, current in vivo mRNA delivery systems fail to transfect B lymphocytes and instead primarily target hepatocytes and dendritic cells. Here, the design, synthesis, and biological evaluation of a lipid nanoparticle (LNP) system that can encapsulate mRNA, navigate to the spleen, transfect B lymphocytes, and induce more than 60 pg of protein expression per million B cells within the spleen is described. Importantly, this LNP induces more than 85% of total protein production in the spleen, despite LNPs being observed transiently in the liver and other organs. These results demonstrate that LNP composition alone can be used to modulate the site of protein induction in vivo, highlighting the critical importance of designing and synthesizing new nanomaterials for nucleic acid delivery.
Carbohydrate‐Based Block Copolymer Thin Films: Ultrafast Nano‐Organization with 7 nm Resolution Using Microwave Energy
Authors: Liao Yingjie , Chen Wen‐Chang , Borsali Redouane
Published: July 2017

Block copolymers (BCP) can self‐assemble into nanoscale patterns with a wide variety of applications in the semiconductor industry. The self‐assembly of BCPs is commonly accomplished by solvent vapor or thermal annealing, but generally these methods require long time (few hours) to obtain nanostructured thin films. In this contribution, a new and ultrafast method (using microwaves) is proposed—high temperature solvent vapor annealing (HTSVA), combining solvent vapor annealing with thermal annealing, to achieve fast and controllable self‐assembly of amphiphilic BCP thin films. A promising carbohydrate‐based BCP capable of forming cylindrical patterns with some of the smallest feature sizes is used for demonstrating how to obtain a highly ordered vertical cylindrical pattern with sub‐10 nm feature sizes in few seconds by HTSVA. HTSVA provides not only a simple way to achieve BCP fast self‐assembly in practical applications but also a tool to study the self‐assembly behavior of BCPs under extreme conditions.
Highly Water‐Stable Lanthanide–Oxalate MOFs with Remarkable Proton Conductivity and Tunable Luminescence
Authors: Zhang Kun , Xie Xiaoji , Li Hongyu , Gao Jiaxin , Nie Li , Pan Yue , Xie Juan , Tian Dan , Liu Wenlong , Fan Quli , Su Haiquan , Huang Ling , Huang Wei
Published: July 2017

Although proton conductors derived from metal–organic frameworks (MOFs) are highly anticipated for various applications including solid‐state electrolytes, H2 sensors, and ammonia synthesis, they are facing serious challenges such as poor water stability, fastidious working conditions, and low proton conductivity. Herein, we report two lanthanide–oxalate MOFs that are highly water stable, with so far the highest room‐temperature proton conductivity (3.42 × 10−3 S cm−1) under 100% relative humidity (RH) among lanthanide‐based MOFs and, most importantly, luminescent. Moreover, the simultaneous response of both the proton conductivity and luminescence intensity to RH allows the linkage of proton conductivity with luminescence intensity. This way, the electric signal of proton conductivity variation versus RH will be readily translated to optical signal of luminescence intensity, which can be directly visualized by the naked eye. If proper lanthanide ions or even transition‐metal ions are used, the working wavelengths of luminescence emissions can be further extended from visible to near infrared light for even wider‐range applications.
Magnetic particle tracking for nonspherical particles in a cylindrical fluidized bed
Authors: Buist Kay A. , Jayaprakash Pavithra , Kuipers J.A.M. , Deen Niels G. , Padding Johan T.
Published: July 2017

In granular flow operations, often particles are nonspherical. This has inspired a vast amount of research in understanding the behavior of these particles. Various models are being developed to study the hydrodynamics involving nonspherical particles. Experiments however are often limited to obtain data on the translational motion only. This paper focusses on the unique capability of Magnetic Particle Tracking to track the orientation of a marker in a full 3‐D cylindrical fluidized bed. Stainless steel particles with the same volume and different aspect ratios are fluidized at a range of superficial gas velocities. Spherical and rod‐like particles show distinctly different fluidization behavior. Also, the distribution of angles for rod‐like particles changes with position in the fluidized bed as well as with the superficial velocity. Magnetic Particle Tracking shows its unique capability to study both spatial distribution and orientation of the particles allowing more in‐depth validation of Discrete Particle Models. © 2017 The Authors AIChE Journal published by Wiley Periodicals, Inc. on behalf of American Institute of Chemical Engineers AIChE J, 63: 5335–5342, 2017
The dynamics of hepcidin‐ferroportin internalization and consequences of a novel ferroportin disease mutation
Authors: Wallace Daniel F. , McDonald Cameron J. , Ostini Lesa , Iser David , Tuckfield Annabel , Subramaniam V. Nathan
Published: July 2017

The hepcidin‐ferroportin axis underlies the pathophysiology of many iron‐associated disorders and is a key target for the development of therapeutics for treating iron‐associated disorders. The aims of this study were to investigate the dynamics of hepcidin‐mediated ferroportin internalization and the consequences of a novel disease‐causing mutation on ferroportin function. Specific reagents for ferroportin are limited; we developed and characterized antibodies against the largest extracellular loop of ferroportin and developed a novel cell‐based assay for studying hepcidin‐ferroportin function. We show that hepcidin‐mediated ferroportin internalization is a rapid process and could be induced using low concentrations of hepcidin. Targeted next‐generation sequencing utilizing an iron metabolism gene panel developed in our group identified a novel ferroportin p.D84E variant in a patient with iron overload. Wild‐type and mutant ferroportin constructs were generated, transfected into HEK293 cells and analysed using an all‐in‐one flow‐cytometry‐based assay to study the effects on hepcidin‐mediated internalization and iron transport. Consistent with the classical phenotype of ferroportin disease, the p.D84E mutation results in an inability to transport iron and hepcidin insensitivity. These results validate a recently proposed 3D‐structural model of ferroportin and highlight the significance of this variant in the structure and function of ferroportin. Our novel ferroportin antibody and assay will be valuable tools for investigating the regulation of hepcidin/ferroportin function and the development of novel approaches for the therapeutic modulation of iron homeostasis.
A Base‐Mediated 6‐exo‐trig versus 6‐exo‐dig Carbocyclization Strategy for the Synthesis of Functionalized Biaryl Compounds
Authors: Yadav Pratik , Shaw Ranjay , Panwar Rahul , Sahu Satya Narayan , Kumar Abhinav , Pratap Ramendra
Published: July 2017

A base‐mediated carbocyclization study has been performed between two allowed Baldwin cyclization modes (6‐exo‐trig and 6‐exo‐dig) and it was found that 6‐exo‐trig cyclization was preferred over 6‐exo‐dig. Allyl cyanide was found to be suitable and efficient pronucleophile for this investigation and two sp2–sp2 transition‐metal‐free C−C bond formations took place in a single operation to yield two differently functionalized biaryl compounds.
Speech‐like orofacial oscillations in stump‐tailed macaque (Macaca arctoides) facial and vocal signals
Authors: Toyoda Aru , Maruhashi Tamaki , Malaivijitnond Suchinda , Koda Hiroki
Published: July 2017

Objectives

Speech is unique to humans and characterized by facial actions of ∼5 Hz oscillations of lip, mouth or jaw movements. Lip‐smacking, a facial display of primates characterized by oscillatory actions involving the vertical opening and closing of the jaw and lips, exhibits stable 5‐Hz oscillation patterns, matching that of speech, suggesting that lip‐smacking is a precursor of speech. We tested if facial or vocal actions exhibiting the same rate of oscillation are found in wide forms of facial or vocal displays in various social contexts, exhibiting diversity among species.

Materials and Methods

We observed facial and vocal actions of wild stump‐tailed macaques (Macaca arctoides), and selected video clips including facial displays (teeth chattering; TC), panting calls, and feeding. Ten open‐to‐open mouth durations during TC and feeding and five amplitude peak‐to‐peak durations in panting were analyzed.

Results

Facial display (TC) and vocalization (panting) oscillated within 5.74 ± 1.19 and 6.71 ± 2.91 Hz, respectively, similar to the reported lip‐smacking of long‐tailed macaques and the speech of humans.

Discussion

These results indicated a common mechanism for the central pattern generator underlying orofacial movements, which would evolve to speech. Similar oscillations in panting, which evolved from different muscular control than the orofacial action, suggested the sensory foundations for perceptual saliency particular to 5‐Hz rhythms in macaques. This supports the pre‐adaptation hypothesis of speech evolution, which states a central pattern generator for 5‐Hz facial oscillation and perceptual background tuned to 5‐Hz actions existed in common ancestors of macaques and humans, before the emergence of speech.
A case of panspinal epidural abscess that presented with meningeal irritation
Authors: Okada Naoki , Nishiyama Takashi , Kurihara Maki , Nishimura Yusuke , Nishimura Yoshiro , Ando Yukihiro , Otsubo Saori , Yamada Katsumi , Maeda Yuji
Published: July 2017

Case

In rare cases, spinal epidural abscess involves the entire spine and can lead to neurological deficits and sepsis if treatment is delayed or suboptimal. A 65‐year‐old man was admitted with a diagnosis of bacterial meningitis. After admission, magnetic resonance imaging showed a spinal epidural abscess from the cervical to lumbar spine. Blood culture revealed Staphylococcus aureus. The patient was initially treated medically because he had no neurological deficits. Repeat blood culture remained positive and abscesses were found in the mediastinum and bilateral psoas muscles.

Outcome

Surgery was carried out and the patient's postoperative course was satisfactory.

Conclusion

Spinal epidural abscess can extensively affect the spine and may present with the symptoms of bacterial meningitis. It is essential to examine the entire spine and paraspinal regions and to treat early in cases of spinal epidural abscess.
Matrix metalloproteinase 9 is decreased in natalizumab‐treated multiple sclerosis patients at risk for progressive multifocal leukoencephalopathy
Authors: Fissolo Nicolas , Pignolet Béatrice , Matute‐Blanch Clara , Triviño Juan Carlos , Miró Berta , Mota Miriam , Perez‐Hoyos Santiago , Sanchez Alex , Vermersch Patrick , Ruet Aurélie , de Sèze Jérôme , Labauge Pierre , Vukusic Sandra , Papeix Caroline , Almoyna Laurent , Tourbah Ayman , Clavelou Pierre , Moreau Thibault , Pelletier Jean , Lebrun‐Frenay Christine , Montalban Xavier , Brassat David , Comabella Manuel ,   on behalf of Biomarkers and Response to Natalizumab for Multiple Sclerosis Treatment (BIONAT), Best EScalation Treatment in Multiple Sclerosis (BEST‐MS), and the Société Francophone de la Sclérose En Plaques (SFSEP) Network
Published: July 2017

Objective

To identify biomarkers associated with the development of progressive multifocal leukoencephalopathy (PML) in multiple sclerosis (MS) patients treated with natalizumab (NTZ).

Methods

Relapsing–remitting MS patients who developed PML under NTZ therapy (pre‐PML) and non‐PML NTZ‐treated patients (NTZ‐ctr) were included in the study. Cryopreserved peripheral blood mononuclear cells and serum samples collected at baseline, at 1‐ and 2‐year treated time points, and during PML were analyzed for gene expression by RNA sequencing and for serum protein levels by Luminex and enzyme‐linked immunosorbent assays, respectively.

Results

Among top differentially expressed genes in the RNA sequencing between pre‐PML and NTZ‐ctr patients, pathway analysis revealed a high representation of genes belonging to the following categories: proangiogenic factors (MMP9, VEGFA), chemokines (CXCL1, CXCL5, IL8, CCL2), cytokines (IL1B, IFNG), and plasminogen‐ and coagulation‐related molecules (SERPINB2, PLAU, PLAUR, TFPI, THBD). Serum protein levels for these candidates were measured in a 2‐step manner in a screening cohort and a validation cohort of pre‐PML and NTZ‐ctr patients. Only matrix metalloproteinase 9 (MMP9) was validated; in pre‐PML patients, MMP9 protein levels were significantly reduced at baseline compared with NTZ‐ctr patients, and levels remained lower at later time points during NTZ treatment.

Interpretation

The results from this study suggest that the proangiogenic factor MMP9 may play a role as a biomarker associated with the development of PML in MS patients treated with NTZ. Ann Neurol 2017;82:186–195.
Vermeiden von Selbstvergiftung – ein Schlüsselaspekt für die hohe Aktivität von Au/Mg(OH)2‐Katalysatoren in der kontinuierlichen Niedertemperatur‐CO‐Oxidation
Authors: Wang Yuchen , Widmann Daniel , Lehnert Felix , Gu Dong , Schüth Ferdi , Behm R. Jürgen
Published: July 2017

Nach neueren Berichten sind Au/Mg(OH)2‐Katalysatoren bei niedrigen Temperaturen, unterhalb Raumtemperatur, weitaus aktiver in der katalytischen CO‐Oxidation als die häufig untersuchten Au/TiO2‐Katalysatoren. Mithilfe kinetischer und in‐situ‐IR‐spektroskopischer (DRIFTS‐)Messungen wird gezeigt, dass die vergleichsweise schwache Wechselwirkung von Au/Mg(OH)2 mit in der Reaktion gebildetem CO2 der hauptsächliche Grund für die höhere Aktivität dieser Katalysatoren bei niedrigen Reaktionstemperaturen ist. Dies ermöglicht die schnelle Desorption des Reaktionsprodukts CO2 und damit eine effiziente kontinuierliche Oxidation von CO bei Temperaturen deutlich unterhalb 0 °C. Bei diesen Temperaturen katalysiert Au/TiO2 zwar auch die Bildung von CO2, hier ist aber kaum CO2‐Desorption möglich, und dies führt zu einer Selbstvergiftung des Katalysators. Bei höheren Temperaturen (oberhalb 0 °C) ist dagegen die Bildung von CO2 geschwindigkeitsbestimmend, was in einer deutlich höheren Aktivität von Au/TiO2‐Katalysatoren unter diesen Bedingungen resultiert.
Comment on “A Liposomal System Capable of Generating CO2 Bubbles to Induce Transient Cavitation, Lysosomal Rupturing and Cell Necrosis”
Authors: Tiefenboeck Peter , Kim Jong Ah , Trunk Ferdinand , Leroux Jean‐Christophe
Published: July 2017

Im Jahr 2012 berichteten Sung et al. über temperaturempfindliche Liposomen mit eingeschlossenem Ammoniumbicarbonat (ABC), die ihre Fracht oberhalb 42 °C freisetzen. Als Mechanismus wurde die Zersetzung von ABC unter Bildung von CO2‐Blasen und transienter Kavitation angenommen. Versuche, dieses System zu reproduzieren, scheiterten jedoch. Die hier vorgestellten Ergebnisse lassen an der Thermoresponsivität der Liposomen zweifeln.
Diketopyrrolopyrrole Columnar Liquid‐Crystalline Assembly Directed by Quadruple Hydrogen Bonds
Authors: Soberats Bartolome , Hecht Markus , Würthner Frank
Published: July 2017

A diketopyrrolopyrrole (DPP) dye self‐assembles via a unique hydrogen‐bonding motif into an unprecedented columnar liquid‐crystalline (LC) structure. X‐ray and polarized FTIR experiments reveal that the DPPs organize into a one‐dimensional assembly with the chromophores oriented parallel to the columnar axis. This columnar structure is composed of two π–π‐stacked DPP dimers with mirror‐image configurations that stack alternately through quadruple hydrogen bonding by 90° rotation. This exotic packing is dictated by the complementarity between H‐bonds and the steric demands of the wedge‐shaped groups attached at the core. This novel LC supramolecular material opens a new avenue of research on DPP dye assemblies with photofunctional properties tailored by H‐bonding networks.
Zirconium/Nickel‐Mediated One‐Pot Ketone Synthesis
Authors: Ai Yanran , Ye Ning , Wang Qiaoyi , Yahata Kenzo , Kishi Yoshito
Published: July 2017

A zirconium/nickel‐mediated one‐pot synthesis of ketones is reported. In the presence of Zn or Mn, Cp2ZrCl2 was found to dramatically accelerate the coupling and suppress side product formation via an I→SPy displacement at the same time. Unlike Zn/Pd‐ and Fe/Cu‐mediated one‐pot ketone syntheses, the new method is effective for nucleophiles bearing OR or equivalent functional groups at the α‐position. A mechanism comprising a nickel catalytic cycle, a zirconium catalytic cycle, and Zr→Ni transmetalation is proposed, and Cp2ZrCl2 and/or low‐valent Zr species are suggested to play crucial dual roles.
A Water‐Bridged H‐Bonding Network Contributes to the Catalysis of the SAM‐Dependent C‐Methyltransferase HcgC
Authors: Bai Liping , Wagner Tristan , Xu Tao , Hu Xile , Ermler Ulrich , Shima Seigo
Published: July 2017

[Fe]‐hydrogenase hosts an iron‐guanylylpyridinol (FeGP) cofactor. The FeGP cofactor contains a pyridinol ring substituted with GMP, two methyl groups, and an acylmethyl group. HcgC, an enzyme involved in FeGP biosynthesis, catalyzes methyl transfer from S‐adenosylmethionine (SAM) to C3 of 6‐carboxymethyl‐5‐methyl‐4‐hydroxy‐2‐pyridinol (2). We report on the ternary structure of HcgC/S‐adenosylhomocysteine (SAH, the demethylated product of SAM) and 2 at 1.7 Å resolution. The proximity of C3 of substrate 2 and the S atom of SAH indicates a catalytically productive geometry. The hydroxy and carboxy groups of substrate 2 are hydrogen‐bonded with I115 and T179, as well as through a series of water molecules linked with polar and a few protonatable groups. These interactions stabilize the deprotonated state of the hydroxy groups and a keto form of substrate 2, through which the nucleophilicity of C3 is increased by resonance effects. Complemented by mutational analysis, a structure‐based catalytic mechanism was proposed.
Validation of Molecular Simulation: An Overview of Issues
Authors: van Gunsteren Wilfred F. , Daura Xavier , Hansen Niels , Mark Alan E. , Oostenbrink Chris , Riniker Sereina , Smith Lorna J.
Published: July 2017

Computer simulation of molecular systems enables structure–energy–function relationships of molecular processes to be described at the sub‐atomic, atomic, supra‐atomic, or supra‐molecular level. To interpret results of such simulations appropriately, the quality of the calculated properties must be evaluated. This depends on the way the simulations are performed and on the way they are validated by comparison to values Qexp of experimentally observable quantities Q. One must consider 1) the accuracy of Qexp, 2) the accuracy of the function Q(rN) used to calculate a Q‐value based on a molecular configuration rN of N particles, 3) the sensitivity of the function Q(rN) to the configuration rN, 4) the relative time scales of the simulation and experiment, 5) the degree to which the calculated and experimental properties are equivalent, and 6) the degree to which the system simulated matches the experimental conditions. Experimental data is limited in scope and generally corresponds to averages over both time and space. A critical analysis of the various factors influencing the apparent degree of (dis)agreement between simulations and experiment is presented and illustrated using examples from the literature. What can be done to enhance the validation of molecular simulation is also discussed.
Unified, Efficient, and Scalable Synthesis of Halichondrins: Zirconium/Nickel‐Mediated One‐Pot Ketone Synthesis as the Final Coupling Reaction
Authors: Yahata Kenzo , Ye Ning , Ai Yanran , Iso Kentaro , Kishi Yoshito
Published: July 2017

Unified, efficient, and scalable syntheses of the halichondrin natural products are reported. A newly developed Zr/Ni‐mediated one‐pot ketone synthesis was used to couple the two halves of the final product at a late stage in the synthesis. With the use of a slight excess of the left halves, the desired ketones were isolated in yields of 80–90 %. The halichondrins were obtained from these ketones in two steps, namely desilylation and [5,5]‐spiroketal formation. The new synthetic route was effective for the total synthesis of all members in the homohalichondrin subgroup. The scalability of this process was demonstrated with halichondrin B; 150 mg of halichondrin B (68 % overall yield) were obtained from 200 mg of the right‐half precursor.
Codeposition of catechol–polyethyleneimine followed by interfacial polymerization for nanofiltration membranes with enhanced stability
Authors: Qiu Wen‐Ze , Du Yong , Lv Yan , Yang Hao‐Cheng , Xu Zhi‐Kang
Published: July 2017

Thin‐film composite (TFC) nanofiltration (NF) membranes were fabricated via the codeposition of catechol (CCh) and polyethyleneimine (PEI) followed by subsequent interfacial polymerization with trimesoyl chloride (TMC) on the surface of polysulfone ultrafiltration substrates. The detailed structures and surface properties were characterized by X‐ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, scanning electron microscopy, ζ potential analysis, and water contact angle measurement. The surface properties, including the roughness, hydrophilicity, surface potential, and NF performances, were facilely tuned through variation of the codeposition time of CCh–PEI for the prepared TFC membranes. The optimized membrane achieved a high rejection (ca. 93%) of MgCl2 with a flux of around 31 L m−2 h−1 under 0.7 MPa. The results also reveal that the codeposition process endowed the final membranes with much better structural stability in alcohol and improved chlorine resistance compared to commonly interfacial polymerized ones with PEI and TMC. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45422.
Dual‐bonding structured ternary composite film of poly(vinyl alcohol)–boric acid–nanodiamond
Authors: Li Yina , Xu Xiangyang , Zhao Hongye , Wei Shanshan , Lu Qinghua , Dai Lei , Yang Lin
Published: July 2017

Ternary composite films of poly(vinyl alcohol) (PVA), boric acid (BA), and detonation nanodiamond (DND) were prepared by aqueous solution method. Because of its excellent mechanical/thermal properties and low friction coefficient, DND is expected to offer PVA film superior performance if the puzzles of particle agglomeration in polymer matrix and fragile interface reaction between DND and PVA can be settled. BA was used as a crosslinking agent to form a strong network structure between DND and PVA. Investigation on microstructure of PVA/BA/DND films and bonding mechanisms therein shows that BA, DND, and PVA may crosslink by oxo‐bridges owing to the interaction of hydroxyl groups. The Young's modulus (E) of composite films was enhanced by nearly 3.3 times with only 0.8 wt % DND loading, and the antiwear, thermal stability, and waterproof properties can be significantly improved after the crosslinking. Meanwhile, the transparency of composite films can be well preserved even with large DND content. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45449.
Distribution of Calretinin Immunoreactivity in the Lateral Nucleus of the Bottlenose Dolphin (Tursiops truncatus) Amygdala
Authors: Rambaldi A.M. , Cozzi B. , Grandis A. , Canova M. , Mazzoni M. , Bombardi C.
Published: July 2017

The amgdaloid complex consists of different nuclei, each with unique cytoarchitectonic, chemoarchitectonic and connectional characteristics. Most of the inputs coming from cortical and subcortical areas enter the amygdala via the lateral nucleus, which makes it the main receiving structure of the complex. The activity of its neurons is coordinated and modulated by different inhibitory, GABAergic‐interneurons, which can be classified for their expression of various calcium‐binding proteins, as well as by morphological characteristics. This research based on the analysis of the amygdala of three bottlenose dolphins, provides the first description of the topography, cytoarchitecture and distribution of calretinin immunoreactivity of the lateral nucleus. Our observations on the bottlenose dolphin confirmed the general topography of the mammalian amygdala and of the lateral nucleus. Notably, we identified six subdivision of the nucleus, more than those reported until now in the rat, monkey and human lateral nucleus. This could reveal an outstanding capability of integration and elaboration of external stimuli. In addition, we observed a strong presence of CR‐immunoreactive (‐ir) neurons and fibres. CR‐ir neurons were mainly non‐pyramidal inhibitory neurons; in particular, 80% of IR‐cells were represented by large and small polygonal neurons. In the lateral nucleus of the human amygdala, CR‐ir neurons form inhibitory synapses on calbindin‐D28k‐IR inhibitory interneurons. Since calbindin‐D28k‐ir interneurons make inhibitory synapses on the pyramidal cells, the final goal of the CR‐ir interneurons could be the synchronization of cells activity, thus playing an important role in the control of information flow in the lateral amygdalar nucleus. Anat Rec, 2017. © 2017 Wiley Periodicals, Inc. Anat Rec, 300:2008–2016, 2017. © 2017 Wiley Periodicals, Inc.
A Novel Method for Observation of the Mandibular Foramen: Application to a Better Understanding of Dental Anatomy
Authors: Iwanaga Joe , Watanabe Koichi , Saga Tsuyoshi , Tubbs R. Shane , Tanaka Kengo , Kikuta Shogo , Tabira Yoko , Fisahn Christian , Kamura Yasuhiko , Kusukawa Jingo , Yamaki Koh‐Ichi
Published: July 2017

Cone‐beam computed tomography gives us much useful morphological information about the mandibular bone. Many studies of the mandible include findings from this technique. However, there have been no endoscopic studies of the mandible. Sixteen sides of eight dry mandibles resected from cadavers (age range 38–83 years) were examined by endoscopy. The head of the endoscope was 2.0 mm in diameter. We examined the mandibular foramen, lingula, mylohyoid groove, and mandibular canal. The mylohyoid grooves showed variations such as double grooves and canals. The mandibular lingula was located superior or medial to the the mandibular foramen. In a single case, the medial wall inside the mandibular canal showed a porous surface. The retromolar canal was observed in three sides. None of the images in the present study have been seen in other studies. Observation of the retromolar canal from the mandibular canal in particular can help dental students as well as oral and maxillofacial surgeons to understand its morphology. Anat Rec, 2017. © 2017 Wiley Periodicals, Inc. Anat Rec, 300:1875–1880, 2017. © 2017 Wiley Periodicals, Inc.
Automatic event detection in microblogs using incremental machine learning
Authors: Bandaragoda Tharindu Rukshan , De Silva Daswin , Alahakoon Damminda
Published: July 2017

The global popularity of microblogs has led to an increasing accumulation of large volumes of text data on microblogging platforms such as Twitter. These corpora are untapped resources to understand social expressions on diverse subjects. Microblog analysis aims to unlock the value of such expressions by discovering insights and events of significance hidden among swathes of text. Besides velocity; diversity of content, brevity, absence of structure and time‐sensitivity are key challenges in microblog analysis. In this paper, we propose an unsupervised incremental machine learning and event detection technique to address these challenges. The proposed technique separates a microblog discussion into topics to address the key problem of diversity. It maintains a record of the evolution of each topic over time. Brevity, time‐sensitivity and unstructured nature are addressed by these individual topic pathways which contribute to generate a temporal, topic‐driven structure of a microblog discussion. The proposed event detection method continuously monitors these topic pathways using multiple domain‐independent event indicators for events of significance. The autonomous nature of topic separation, topic pathway generation, new topic identification and event detection, appropriates the proposed technique for extensive applications in microblog analysis. We demonstrate these capabilities on tweets containing #microsoft and tweets containing #obama.
Greenhouse gas emissions of electricity and biomethane produced using the Biogasdoneright™ system: four case studies from Italy
Authors: Valli Laura , Rossi Lorella , Fabbri Claudio , Sibilla Fabrizio , Gattoni Piero , Dale Bruce E. , Kim Seungdo , Ong Rebecca Garlock , Bozzetto Stefano
Published: July 2017

We reported previously on the Biogasdoneright™ system for on‐farm biogas production. This innovative system employs sequential (year‐round) cropping to produce both food and energy from agricultural biomass, primarily cellulosic materials. This paper uses a marginal analysis approach to estimate the life cycle greenhouse gas emissions (GHGs) of electricity and biomethane produced by four currently operating Italian biogas plants that process various agricultural feedstocks, residues, and by‐products. The biogas is burned on‐farm to generate electricity that is then exported to the grid. The marginal lifecycle GHGs of this farm‐produced electricity range from ‐335 to 25 grams CO2 per kilowatt hour (kWh). By comparison, the marginal GHGs of electricity generated by fossil fuels in the European Union (EU) is 752 grams CO2 per kWh. The biogas might also be upgraded to produce pipeline‐quality biomethane, a direct substitute for natural gas. The marginal lifecycle GHGs of biomethane potentially produced from the Biogasdoneright™ plants range from 10 to ‐36 grams CO2 per megajoule (MJ) while the corresponding figure for a conventional biogas plant is 27 grams CO2 per MJ. Natural gas in the EU produces 72 grams CO2 per MJ and marginal fossil fuel in the EU generates 115 grams CO2 per MJ. Negative GHG emissions arise largely from avoided emissions of agricultural effluents and residues. © 2017 Society of Chemical Industry and John Wiley & Sons, Ltd
Offspring sex ratio in mammals and the Trivers‐Willard hypothesis: In pursuit of unambiguous evidence
Authors: Douhard Mathieu
Published: July 2017

Can mammalian mothers adaptively control the sex of their offspring? The influential Trivers‐Willard hypothesis (TWH) proposes that when maternal condition increases the fitness of sons more than that of daughters, the proportion of sons produced should increase with maternal condition. Studies of mammals, however, often fail to support this hypothesis. This article highlights recent advances, including studies on the assumptions of the TWH and physiological mechanisms for sex‐ratio manipulation. Particular emphasis is placed on how factors such as paternal quality, maternal reproductive costs and environmental conditions experienced by mothers early in life can mask/alter the expected relationship between maternal condition and offspring sex ratio or lead to apparent support for the TWH. While there is growing evidence that sex ratio around conception may be maternally and paternally manipulated, a challenge for future studies on sex allocation is to integrate how multiple and potentially opposite selective pressures affect offspring sex ratio.
The luminescence properties of Sr2–1.5x−1.5yP2O7:xDy3+,yCe3+ phosphor for near‐UV‐based white LEDs synthesized by a chemical co‐precipitation method
Authors: Liu Sha‐Sha , Zhu Da‐Chuan , Wang Jin‐Shan , Zhao Cong , Han Tao
Published: July 2017

A series of Sr2P2O7:Dy3+, Sr2P2O7:Ce3+ and Sr2P2O7:Dy3+,Ce3+ phosphors was synthesized via the one‐step calcination process for the precursors prepared by co‐precipitation methods. The phases, morphology, quantum efficiency and photoluminescence properties of the obtained phosphors were characterized systematically. These results show that the near‐spherical particles prepared through calcining the precursors by means of ammonium dibasic phosphate co‐precipitation (method 3) have the smallest particle size and strongest emission intensity among the three methods in the paper. With Dy3+ concentration increasing in Sr2P2O7:Dy3+ phosphors, the luminescence intensity first increases, reaches maximum, and then decreases. A similar trend was followed by Sr2P2O7:Ce3+ with Ce3+concentration increasing. A successful attempt was made to initiate the energy transfer mechanism from Ce3+ to Dy3+ in the host lattice and an overlap between the emission band of Ce3+ and the excitation band of Dy3+ indicated that the Ce3+ → Dy3+ energy transfer may indeed exist. It is clear that the photoluminescence intensity of Dy3+ as well as the quantum efficiency of the phosphor can be enhanced markedly by co‐doping Ce3+. Sr2P2O7:Dy3+,Ce3+ has its (CIE) chromaticity coordinates in the bluish‐white‐light region, near the standard illuminant D65. The CIE 1913 chromaticity coordinates of Sr2P2O7:Dy3+ phosphors fall in the white‐light region, and are adjacent to the ideal white‐light coordinates. In addition, the colour temperature and colour tone of Sr2P2O7:Dy3+ could be adjusted by changing the relative concentration of Dy3+. In short, Sr2P2O7:Dy3+ can be a promising single‐phased white‐light emitting phosphor for near‐UV (NUV) w‐LEDs.
Enhanced green emissions of Er3+/Yb3+ co‐doped Gd2(MoO4)3 by co‐excited up‐conversion processes
Authors: Hao Haoyue , Lu Hongyu , Ao Guanghong , Song Yinglin , Wang Yuxiao , Zhang Xueru
Published: July 2017

Improving the emission from rare earth ions doped materials is of great importance to broaden their application in bio‐imaging, photovoltaics and temperature sensing. The green emissions of Gd2(MoO4)3:Er3+/Yb3+ powder upon co‐excitation with 980 and 808 nm lasers were investigated in this paper. Distinct enhancement of green emissions was observed compared with single laser excitation. Based on the energy level structure of Er3+, the enhancement mechanism was discussed. Moreover, the result of temperature‐dependent enhancement revealed that the enhancement factor reached its maximum (2.5) as the sample heated to 120°C, which is due to the competition of two major thermal effects acting in the co‐excited up‐conversion processes. In addition, the same enhancement of green emissions was also observed in Gd2(MoO4)3:Er3+ powder and NaYF4:Er3+/Yb3+ powder.
An LC–MS/MS method for quantitation of cyanidin‐3‐O‐glucoside in rat plasma: Application to a comparative pharmacokinetic study in normal and streptozotocin‐induced diabetic rats
Authors: Yang Chunxia , Wang Qiuhua , Yang Shenbao , Yang Qiong , Wei Ying
Published: July 2017

A sensitive and reliable liquid chromatography tandem mass spectrometry (LC–MS/MS) method was developed to determine cyanidin‐3‐O‐glucoside (Cy‐3G) in normal and streptozotocin‐induced diabetic rat plasma. Chromatographic separation was carried out on a Zorbax SB‐C18 (50 × 4.6 mm, 5 μm) column and mass spectrometric analysis was performed using a Thermo Finnigan TSQ Quantum Ultra triple‐quadrupole mass spectrometer coupled with an ESI source in the negative ion mode. Selected reaction monitoring mode was applied for quantification using target fragment ions m/z 447.3 → 285.2 for Cy‐3G and m/z 463.0 → 300.1 for quercetin‐3‐O‐glucoside (internal standard). The calibration curve was linear over the range 3.00–2700 ng/mL (r2 ≥ 0.99) with the lower limit of quantitation at 3.00 ng/mL. Intra‐ and inter‐day precision was <14.5% and mean accuracy was from −11.5 to 13.6%. Stability testing showed that Cy‐3G remained stable during the whole analytical procedure. After validation, the assay was successfully used to support a preclinical pharmacokinetic comparison of Cy‐3G between normal and diabetic rats. Results indicated that diabetes mellitus significantly altered the in vivo pharmacokinetic characteristics of Cy‐3G after oral administration in rats.
New Fluorescent Nanoparticles for Ultrasensitive Detection of Nucleic Acids by Optical Methods
Authors: Westergaard Mulberg Mads , Taskova Maria , Thomsen Rasmus P. , Okholm Anders H. , Kjems Jørgen , Astakhova Kira
Published: July 2017

For decades the detection of nucleic acids and their interactions at low abundances has been a challenging task that has thus far been solved by enzymatic target amplification. In this work we aimed at developing efficient tools for amplification‐free nucleic acid detection, which resulted in the synthesis of new fluorescent nanoparticles. Here, the fluorescent nanoparticles were made by simple and inexpensive radical emulsion polymerization of butyl acrylate in the presence of fluorescent dyes and additional functionalization reagents. This provided ultra‐bright macrofluorophores of 9–84 nm mean diameter, modified with additional alkyne and amino groups for bioconjugation. By using click and NHS chemistries, the new nanoparticles were attached to target‐specific DNA probes that were used in fluorimetry and fluorescence microscopy. Overall, these fluorescent nanoparticles and their oligonucleotide derivatives have higher photostability, brighter fluorescence and hence dramatically lower limits of target detection than the individual organic dyes. These properties make them useful in approaches directed towards ultrasensitive detection of nucleic acids, in particular for imaging and in vitro diagnostics of DNA.
Asymmetrical Microchannel Emulsification Plates for Production of Small‐Sized Monodispersed Emulsion Droplets
Authors: Khalid Nauman , Kobayashi Isao , Uemura Kunihiko , Nakajima Mitsutoshi
Published: July 2017

Monodispersed emulsion droplets have promising advantages in food, pharmaceutical, and chemical industries. Previous microchannel emulsification (MCE) plates having the capacity of generating small‐sized droplets exhibited very low droplet productivity since these plates operate at a low dispersed‐phase flow rate and with a relatively small number of microchannels. An innovative MCE plate with 176 176 circular asymmetric through‐holes was manufactured, which is comprised of a series of discrete outlets on each microchannel line with an effective cross‐sectional area of 1 cm2. The newly fabricated MCE plate is capable to produce monodispersed emulsion droplets with small Sauter mean diameters.