bluuebunny/crossref_metadata_2025 huggingface dataset:
Gaining Synthetic Appreciation for the Gedunin ABC Ring System
Authors: Pinkerton David M. , Vanden Berg Timothy J. , Bernhardt Paul V. , Williams Craig M.
Published: January 2017

Gedunin, first isolated in 1960, displays a remarkable range of biological activity, but has yet to receive dedicated synthetic attention from a ground up construction perspective. Presented herein is a successfully executed approach to the fully functionalized ABC ring system of this challengingly complex natural product.
Versatile Dynamic Covalent Assemblies for Probing π‐Stacking and Chirality Induction from Homotopic Faces
Authors: Ye Hebo , Hai Yu , Ren Yulong , You Lei
Published: January 2017

Herein we report for the first time the use of dynamic covalent reactions (DCRs) for building a π‐stacking model system and further quantifying its substituent effects (SEs), which remain a topic of debate despite the rich history of stacking. A general DCR between 10‐methylacridinium ion and primary amines was discovered, in which π‐stacking played a stabilizing role. Facile quantification of SEs with in situ competing π‐stacking systems was next achieved in the form of amine exchange exhibiting structural diversity by simply varying components. The linear correlation with σm in Hammett plots indicates the dominance of purely electrostatic SEs, and the additivity of SEs is in line with the direct interaction model. With α‐chiral amines π‐stacking within the adduct enabled chirality transfer from homotopic faces. The strategy of dynamic covalent assembly should be appealing to future research of probing weak interactions and manipulating chirality.
Laser‐Assisted Synthesis of Colloidal Ni/NiOx Core/Shell Nanoparticles in Water and Alcoholic Solvents
Authors: Lasemi Niusha , Pacher Ulrich , Rentenberger Christian , Bomatí‐Miguel Oscar , Kautek Wolfgang
Published: January 2017

The nanosecond‐pulse laser‐assisted generation of Ni/NiOx core/shell nanoparticles (NPs) in water and alcoholic fluids can yield colloidal solutions without surfactants. The size distribution can be controlled by the nature of the alcohol, the number of laser pulses and the laser fluence. The incubation of the nickel target ablation in liquid contact shows a dependence on the carbon number of the respective alcohol. The laser‐generated NPs consist of crystalline nickel cores with face‐centred cubic patterns and stacking fault defects surrounded by nickel oxide shells. The solvent butanol, in contrast to ethanol and isopropanol, yields a narrow, nearly unimodal, size distribution. The majority of NPs have low size distributions, with medians in the range of 10–20 nm. These can be related to a metal ablation plume interacting with a supercritical liquid that decelerates the ejected material in a low‐density metal–water mixing region. NPs in the range above 30 nm result in a minority distribution tail that strongly depends on the fluid nature, the pulse number and the fluence. This coarse NP set may be correlated with the rupture of a superheated molten‐metal layer into larger entities.
Stimuli‐Responsive Polymers for Actuation
Authors: Zhang Qiang Matthew , Serpe Michael J.
Published: January 2017

A variety of stimuli‐responsive polymers have been developed and used as actuators and/or artificial muscles, with the movement being driven by an external stimulus, such as electrical potential. This Review highlights actuators constructed from liquid‐crystal elastomers, dielectric elastomers, ionic polymers, and conducting polymers. The Review covers recent examples of a variety of actuators generated from these materials and their utility. The mechanism of actuation will be detailed for most examples in order to stimulate possible future research, and lead to new applications and advanced applications.
An Interactive Quantum Dot and Carbon Dot Conjugate for pH‐Sensitive and Ratiometric Cu2+ Sensing
Authors: Ahmad Kafeel , Gogoi Sonit Kumar , Begum Raihana , Sk Md Palashuddin , Paul Anumita , Chattopadhyay Arun
Published: January 2017

Herein we report the photoinduced electron transfer from Mn2+‐doped ZnS quantum dots (Qdots) to carbon dots (Cdots) in an aqueous dispersion. We also report that the electron transfer was observed for low pH values, at which the oppositely charged nanoparticles (NPs) interacted with each other. Conversely, at higher pH values the NPs were both negatively charged and thus not in contact with each other, so the electron transfer was absent. Steady‐state and time‐resolved photoluminescence studies revealed that interacting particle conjugates were responsible for the electron transfer. The phenomenon could be used to detect the presence of Cu2+ ions, which preferentially, ratiometrically, and efficiently quenched the luminescence of the Qdots.
Lignin‐Based Materials Through Thiol–Maleimide “Click” Polymerization
Authors: Buono Pietro , Duval Antoine , Averous Luc , Habibi Youssef
Published: January 2017

In the present report an environmentally friendly approach to transforming renewable feedstocks into value‐added materials is proposed. This transformation pathway was conducted under green conditions, without the use of solvents or catalyst. First, controlled modification of lignin, a major biopolymer present in wood and plants, was achieved by esterification with 11‐maleimidoundecylenic acid (11‐MUA), a derivative from castor oil that contains maleimide groups, following its transformation into 11‐maleimidoundecanoyl chloride (11‐MUC). Different degrees of substitution were achieved by using various amounts of the 11‐MUC, leading to an efficient conversion of lignin hydroxy groups, as demonstrated by 1H and 31P NMR analyses. These fully biobased maleimide‐lignin derivatives were subjected to an extremely fast (ca. 1 min) thiol–ene “click” polymerization with thiol‐containing linkers. Aliphatic and aromatic thiol linkers bearing two to four thiol groups were used to tune the reactivity and crosslink density. The properties of the resulting materials were evaluated by swelling tests and thermal and mechanical analyses, which showed that varying the degree of functionality of the linker and the linker structure allowed accurate tailoring of the thermal and mechanical properties of the final materials, thus providing interesting perspectives for lignin in functional aromatic polymers.
Profiling and identification of (−)‐epicatechin metabolites in rats using ultra‐high performance liquid chromatography coupled with linear trap‐Orbitrap mass spectrometer
Authors: Shang Zhanpeng , Wang Fei , Dai Shengyun , Lu Jianqiu , Wu Xiaodan , Zhang Jiayu
Published: January 2017

(−)‐Epicatechin (EC), an optical antipode of (+)‐catechin (C), possesses many potential significant health benefits. However, the in vivo metabolic pathway of EC has not been clarified yet. In this study, an efficient strategy based on ultra‐high performance liquid chromatography coupled with a linear ion trap‐Orbitrap mass spectrometer was developed to profile and characterize EC metabolites in rat urine, faeces, plasma, and various tissues. Meanwhile, post‐acquisition data‐mining methods including high‐resolution extracted ion chromatogram (HREIC), multiple mass defect filters (MMDFs), and diagnostic product ions (DPIs) were utilized to screen and identify EC metabolites from HR‐ESI‐MS1 to ESI‐MSn stage. Finally, a total of 67 metabolites (including parent drug) were tentatively identified based on standard substances, chromatographic retention times, accurate mass measurement, and relevant drug biotransformation knowledge. The results demonstrated that EC underwent multiple in vivo metabolic reactions including methylation, dehydration, hydrogenation, glucosylation, sulfonation, glucuronidation, ring‐cleavage, and their composite reactions. Among them, methylation, dehydration, glucosylation, and their composite reactions were observed only occurring on EC when compared with C. Meanwhile, the distribution of these detected metabolites in various tissues including heart, liver, spleen, lung, kidney, and brain were respectively studied. The results demonstrated that liver and kidney were the most important organs for EC and its metabolites elimination. In conclusion, the newly discovered EC metabolites significantly expanded the understanding on its pharmacological effects and built the foundation for further toxicity and safety studies. Copyright © 2017 John Wiley & Sons, Ltd.
Out of Africa: Biogeography and diversification of the pantropical pond skater genus Limnogonus Stål, 1868 (Hemiptera: Gerridae)
Authors: Ye Zhen , Zhen Yahui , Zhou Yanyan , Bu Wenjun
Published: January 2017

Gondwanan vicariance, long‐distance dispersal (LDD), and boreotropical migration have been proposed as alternative hypotheses explaining the pantropical distribution pattern of organisms. In this study, the historical biogeography of the pond skater genus Limnogonus was reconstructed to evaluate the impact of biogeographical scenarios in shaping their modern transoceanic disjunction. We sampled almost 65% of recognized Limnogonus species. Four DNA fragments including 69 sequences were used to reconstruct a phylogram. Divergence time was estimated using a Bayesian relaxed clock method and three fossil calibrations. Diversification dynamics and ancestral area reconstruction were investigated by using maximum likelihood and Bayesian approaches. Our results showed the crown group of Limnogonus originated and diversified in Africa in the early Eocene (49 Ma, HPD: 38–60 Ma), subsequently expanding into other regions via dispersal. The colonization of the New World originated from the Oriental Region probably via the Bering Land Bridge in the late Eocene. Two split events between the Old World and New World were identified: one between Neotropics and Oriental region around the middle Oligocene (30 Ma, HPD: 22–38 Ma), and the other between Neotropics and Africa during the middle Miocene (14 Ma, HPD: 8–21 Ma). The evolutionary history of Limnogonus involved two biogeographical processes. Gondwanan vicariance was not supported in our analyses. The diversification of Limnogonus among Africa, Oriental, and Neotropical regions corresponded with the age of land bridge connection and dispersed as a member associated with the broad boreotropical belt before local cooling (34 Ma). The current transoceanic disjunctions in Limnogonus could be better explained by the disruption of “mixed‐mesophytic” forest belt; however, the direct transoceanic LDD between the Neotropics and Africa could not be ruled out. In addition, the “LDD” model coupled with island hopping could be a reasonable explanation for the diversification of the Oriental and Australian regions during the Oligocene.
The use of ATR‐FTIR spectroscopy to measure changes in the oxirane content and iodine value of vegetable oils during epoxidation
Authors: Tavassoli‐Kafrani Mohammad Hossein , van de Voort Frederik R. , Curtis Jonathan M.
Published: January 2017

A rapid attenuated total reflectance Fourier transform infrared (ATR‐FTIR) method was developed to simultaneously measure for vegetable oils both their oxirane oxygen content (OOC) and the change in their iodine values (IV) that occur during their epoxidation. The method uses the peak area of the epoxy functional group absorption (1497.3–1432.0 cm−1) to measure OOC and the HCabsorption associated with a carbon–carbon double bond (3017.5–3004.2 cm−1) to determine the relative changes in iodine value (ΔIV). Calibrations were developed by gravimetrically blending epoxidized canola oil (ECO) with unreacted canola oil (CO) to vary both OOC and IV. Oils including canola, camelina, and flaxseed were epoxidized, during which the OOC and ΔIV were tracked as a function of time using both the new ATR‐FTIR procedures and the standard ASTM methods. Both the OOC and ΔIV values measured by the ATR‐FTIR method correlate well to values from standard methods (R2 ≥ 0.992 and mean relative error of <3%). The FTIR procedure is simple and fast to perform and facilitates the determination of selectivity (conversion of double bonds into oxirane group) and the end‐point for the epoxidation reaction, which requires measurement of both OOC and IV.

Practical applications: The ATR‐FTIR method described provides a simple, rapid, and accurate means for the measurement of OOC as well as changes in iodine value during the epoxidation of vegetable oils. This allows for the determination of the degree of conversion of lipid unsaturation into epoxides. This method can be employed by manufacturers and research laboratories to study, control, and optimize epoxidation processes.

The ATR‐FTIR methods described in this paper provide a simple and rapid means of monitoring OOC and IV changes during the epoxidation of vegetable oils. These methods are calibrated against standard titrimetric procedures and have been shown to produce similar results. It is especially useful that OOC and ΔIV, the two measures that are most relevant for monitoring the progress of a triacylglycerol oil epoxidation reaction, can be obtained from a single analysis. This facilitates monitoring and optimizing epoxidation processes. If the initial IV of oil is known, the method can also be used to calculate the yield, conversion, and selectivity of the reaction, as well as a study the reaction kinetics.
An Oxygen‐peri‐Bridged Quinolinium Cation and Its Monoradical Counterpart
Authors: Kotha Raghavendhar R. , Nash John J. , Kenttämaa Hilkka I.
Published: January 2017

Generation of a σ,σ,π‐triradical was attempted by collision‐activated dissociation (CAD) of two iodine atoms and an NO· radical from 2,4‐diiodo‐5‐nitroquinolinium cation in an ion trap mass spectrometer. However, the reactivity of the product was consistent with a monoradical rather than a triradical. The mechanism of its formation was explored. In the first CAD step, an iodine atom is lost to generate the 2‐iodo‐5‐nitro‐4‐dehydroquinolinium cation. Quantum chemical calculations suggest that in the second CAD step, the radical site at C‐4 adds to the adjacent NO2 group followed by loss of NO· to generate the 2‐iodo‐4‐oxyl‐5‐dehydroquinolinium cation. Calculations also suggest that in the third CAD step, this cation cyclizes to form an oxygen‐peri‐bridged 2‐iodoquinolinium cation that then loses the remaining iodine atom to generate a distonic 4,5‐oxygen‐peri‐bridged 2‐dehydroquinolinium cation. For the analogous 4‐oxyl‐5‐dehydroquinolinium cation, the cyclization is calculated to be exoergic by 8.7 kcal mol–1, with a free energy barrier of 14.0 kcal mol–1. The cyclized product is the first experimentally observed oxygen‐peri‐bridged naphthalene derivative. It displays low reactivity. However, it's monoradical counterpart is highly reactive and undergoes typical radical reactions.
Development and comparison of HPLC and MEKC methods for the analysis of cyclic sulfur mustard degradation products
Authors: Lees Heidi , Vaher Merike , Kaljurand Mihkel
Published: January 2017

In this study, novel, fast, and simple methods based on RP‐HPLC and MEKC with DAD are developed and validated for the qualitative and quantitative determination of five cyclic sulfur mustard (HD) degradation products (1,4‐thioxane, 1,3‐dithiolane, 1,4‐dithiane, 1,2,5‐trithiepane, and 1,4,5‐oxadithiepane) in water samples. The HPLC method employs a C18 column and an isocratic water‐ACN (55:45, v/v) mobile phase. This method enables separation of all five cyclic compounds within 8 min. With the CE method, the baseline separation of five compounds was achieved in less than 11 min by applying a simple BGE composed of a 10 mM borate buffer and 90 mM SDS (pH 9.15). Both methods showed good linear correlation (R2 > 0.9904). The detection limits were in the range of 0.08–0.1 μM for the HPLC method and 10–20 μM for MEKC. The precision tests resulted in RSDs for migration times and peak areas less than 0.9 and 5.5%, respectively, for the HPLC method, and less than 1.1 and 7.7% for the MEKC method, respectively. The developed methods were successfully applied to the analysis of five cyclic HD degradation products in water samples. With the HPLC method, the LODs were lowered using the SPE for sample purification and concentration.
ALL OUR SONS: THE DEVELOPMENTAL NEUROBIOLOGY AND NEUROENDOCRINOLOGY OF BOYS AT RISK
Authors: Schore Allan N.
Published: January 2017

Why are boys at risk? To address this question, I use the perspective of regulation theory to offer a model of the deeper psychoneurobiological mechanisms that underlie the vulnerability of the developing male. The central thesis of this work dictates that significant gender differences are seen between male and female social and emotional functions in the earliest stages of development, and that these result from not only differences in sex hormones and social experiences but also in rates of male and female brain maturation, specifically in the early developing right brain. I present interdisciplinary research which indicates that the stress‐regulating circuits of the male brain mature more slowly than those of the female in the prenatal, perinatal, and postnatal critical periods, and that this differential structural maturation is reflected in normal gender differences in right‐brain attachment functions. Due to this maturational delay, developing males also are more vulnerable over a longer period of time to stressors in the social environment (attachment trauma) and toxins in the physical environment (endocrine disruptors) that negatively impact right‐brain development. In terms of differences in gender‐related psychopathology, I describe the early developmental neuroendocrinological and neurobiological mechanisms that are involved in the increased vulnerability of males to autism, early onset schizophrenia, attention deficit hyperactivity disorder, and conduct disorders as well as the epigenetic mechanisms that can account for the recent widespread increase of these disorders in U.S. culture. I also offer a clinical formulation of early assessments of boys at risk, discuss the impact of early childcare on male psychopathogenesis, and end with a neurobiological model of optimal adult male socioemotional functions.
ASSOCIATIONS BETWEEN EARLY MATERNAL DEPRESSIVE SYMPTOM TRAJECTORIES AND TODDLERS’ FELT SECURITY AT 18 MONTHS: ARE BOYS AND GIRLS AT DIFFERENTIAL RISK?
Authors: Beeghly Marjorie , Partridge Ty , Tronick Ed , Muzik Maria , Rahimian Mashhadi Mahya , Boeve Jordan L. , Irwin Jessica L.
Published: January 2017

The goal of this study was to evaluate whether there are sex differences in children's vulnerability to caregiving risk, as indexed by trajectories of maternal depressive symptoms assessed from 2 to 18 months’ postpartum, and children's rated attachment security in toddlerhood, adjusting for maternal social support and demographic risk. Analyses utilized longitudinal data collected for 182 African American mother–child dyads from economically diverse backgrounds. Participants were recruited at the time of the child's birth and followed to 18 months’ postpartum. Results of conditional latent growth models indicated that an increasing rate of change in level of maternal depressive symptoms over time negatively predicted toddlers’ felt attachment security. Higher social support was associated with decreasing levels of maternal depressive symptoms over time whereas higher demographic risk was associated with increasing levels of maternal depressive symptoms. A subsequent multigroup conditional latent growth model revealed that child sex moderated these associations. For male (but not female) children, a rapid increase in maternal depressive symptoms was associated with lower felt attachment security at 18 months. These findings suggest that boys, as compared to girls, may be more vulnerable to early caregiving risks such as maternal depression, with negative consequences for mother–child attachment security in toddlerhood.
Temporal Windows and Historic Mirrors: Challenging Historical Fiction
Authors: Garcia Antero
Published: January 2017

This forum reviews high‐interest young adult literature and adult texts. Exploring both print‐based and multimodal works, this column considers all kinds of texts that are encountered by contemporary readers, considering how the texts challenge and are challenged by readers.
Asymptotic Size of Covering Arrays: An Application of Entropy Compression
Authors: Francetić Nevena , Stevens Brett
Published: January 2017

A covering array is an array A such that each cell of A takes a value from a v‐set V, which is called the alphabet. Moreover, the set is contained in the set of rows of every subarray of A. The parameter N is called the size of an array and denotes the smallest N for which a exists. It is well known that  [10]. In this paper, we derive two upper bounds on using an algorithmic approach to the Lovász local lemma also known as entropy compression.
Synthesis and Structure–Activity Relationship Study of Novel Pyrazolylthiazoles as Potential Anti‐Breast Cancer Agents
Authors: Abbas Eman M. H. , Dawood Dina H. , Farghaly Thoraya A. , El‐hag Fatma A. , Ali Mamdouh M.
Published: January 2017

A novel series of pyrazolylthiazole has been synthesized from the reaction of 5‐(4‐fluorophenyl)‐3‐aryl‐4,5‐dihydropyrazole‐1‐carbothioic acid amide derivatives with different reagents. The mechanism and structures of all the novel products were assured on the foundation of spectral information and elemental analyses. The antitumor activity of all the synthesized compounds was estimated versus MCF‐7 cell line. The outcomes showed that some of the tested samples revealed powerful activity against human breast cancer cell line. In addition, the relation between the structure and the activity has been discussed.
Catalysis in Transamination of 6‐chloro‐2‐(3‐chlorophenyl)‐1H‐benz[de]isoquinoline‐1,3‐(2H)‐dione and its Implications in Laser Tissue Welding
Authors: Anderson Samantha M. , Mitchell Stanford D. , LaPlante Kayla A. , McKenney Ryan K. , Lewis David E.
Published: January 2017

The transamination of 6‐chloro‐2‐(3‐chlorophenyl)‐1H‐benz[de]isoquinoline‐1,3‐(2H)‐dione with primary alkylamines under pseudo‐first‐order conditions is shown to be unimolecular in both reagents as well as unimolecular in methanol (in methanol solution). The reaction is subject to both general acid and general base catalysis. A termolecular, solvated transition state model and a putative model for the early steps of laser tissue welding with aminonaphthalimide dyes are proposed.
Simultaneous speciation of inorganic chromium(III) and chromium(VI) by hollow‐fiber‐based liquid‐phase microextraction coupled with HPLC–UV
Authors: Nozohour Yazdi Mahnaz , Yamini Yadollah
Published: January 2017

The speciation of chromium(VI) and chromium(III) was investigated by using hollow fiber liquid‐phase microextraction based on two immiscible organic solvents followed by high performance liquid chromatography with ultraviolet detection. In this method, chromium(VI) and chromium(III) reacted with ammonium pyrrolidine dithiocarbamate to produce hydrophobic complexes. Subsequently, the complexes were first extracted into a thin layer of organic solvent (n‐dodecane) present in the pores of a porous hollow fiber, and then into a μL volume of an organic acceptor (methanol) located inside the lumen of the hollow fiber. Then, the extracting organic phase was injected into the separation column of the high‐performance liquid chromatograph for the analysis of both chromium species. Effective parameters on extraction were optimized using one‐variable‐at‐a‐time method and central composite design. Under optimized conditions, a linear range of 0.25–100 and 0.5–100 μg/L (R2 > 0.998), the limits of detection of (S/N = 3) 0.08 and 0.1 μg/L and a preconcentration factor of 625 and 556 were achieved for chromium(VI) and chromium(III), respectively. The method was successfully applied to the speciation and determination of chromium species in different water samples and satisfactory results were obtained.
1 H NMR‐based metabolomics study for identifying urinary biomarkers and perturbed metabolic pathways associated with severity of IgA nephropathy: a pilot study
Authors: Kalantari Shiva , Nafar Mohsen , Samavat Shiva , Parvin Mahmoud
Published: January 2017

The severity of IgA nephropathy (IgAN), the most common primary glomerulonephritis, is judged on the basis of histologic and clinical features. A limited number of studies have considered molecular signature of IgAN for this issue, and no reliable biomarkers have been presented non‐invasively for use in patient evaluations. This study aims to identify metabolite markers excreted in the urine and impaired pathways that are associated with a known marker of severity (proteinuria) to predict mild and severe stages of IgAN. Urine samples were analysed using nuclear magnetic resonance from biopsy‐proven IgAN patients at mild and severe stages. Multivariate statistical analysis and pathway analysis were performed. The most changed metabolites were acetoacetate, hypotaurine, homocysteine, L‐kynurenine and phenylalanine. Nine metabolites were positively correlated with proteinuria, including mesaconic acid, trans‐cinnamic acid, fumaric acid, 5‐thymidylic acid, anthranilic acid, indole, deoxyguanosine triphosphate, 13‐cis‐retinoic acid and nicotinamide riboside, while three metabolites were negatively correlated with proteinuria including acetoacetate, hypotaurine and hexanal. ‘Phenylalanine metabolism’ was the most significant pathway which was impaired in severe stage in comparison to mild stage of IgAN. This study indicates that nuclear magnetic resonance is a versatile technique that is capable of detecting metabolite biomarkers in combination with advanced multivariate statistical analysis. Copyright © 2017 John Wiley & Sons, Ltd.
Structural discrimination from in situ measurement of 1DCH and 2DHH residual dipolar coupling constants
Authors: Marcó Núria , Gil Roberto R. , Parella Teodor
Published: January 2017

A fast residual dipolar coupling constant‐assisted strategy involving the simultaneous determination of scalar and total coupling constants from a single 1JCH/2JHH‐resolved NMR spectrum is reported. It is shown that the concerted use of the directly measured 1DCH (for all CHn multiplicities) and 2DHH residual dipolar couplings allows an on‐the‐fly assignment of diastereotopic CH2 protons, as well as of an efficient discrimination between diastereoisomeric structures of strychnine which contains six stereocenters. Copyright © 2017 John Wiley & Sons, Ltd.
Experts' perspectives on the role of medical marijuana in oncology: A semistructured interview study
Authors: Braun I.M. , Meyer F.L. , Gagne J.J. , Nabati L. , Yuppa D.P. , Carmona M.A. , Burstein H.J. , Suzuki J. , Nayak M.M. , Martins Y.
Published: January 2017

Background

Expansion of medical marijuana (MM) laws in the United States may offer oncology new therapeutic options. However, the scientific evidence for MM remains in infancy. This study qualitatively explored professional opinion around the role of MM in cancer care.

Methods

Semistructured interviews were administered to a sample of individuals with expertise at the interface of MM and oncology nationally. Key informant criteria included an oncologic clinical or research background and any of the following: publications, research, or lectures on cannabinoids or cancer symptoms; involvement in the development of MM dispensaries or legislation; and early adoption of state MM certification procedures. A gold standard, grounded, inductive approach was used to identify underlying themes.

Results

Participants (N = 15) were predominantly male, in their sixth decade, working in academic settings. Themes ranged from strong beliefs in marijuana's medical utility to reservations about this notion, with calls for expansion of the scientific evidence base and more stringent MM production standards. All participants cited nausea as an appropriate indication, and 13 of 15 pain. Over one‐third believed MM to have a more attractive risk profile than opioids and benzodiazepines.

Conclusions

Expert opinion was divided between convictions in marijuana's medicinal potential and guardedness in this assertion, with no participant refuting MM's utility outright. Emergent themes included that MM ameliorates cancer‐related pain and nausea and is safer than certain conventional medications. Participants called for enhanced purity and production standards, and further research on MM's utility.
Molecular dynamics simulations of strengthening due to silver precipitates in copper matrix
Authors: Hocker Stephen , Rapp Dennis , Schmauder Siegfried
Published: January 2017

Molecular dynamics simulations of edge dislocation interactions with coherent and incoherent silver precipitates in the copper matrix are applied to investigate precipitation strengthening. Simulated shear tests with spherical and octahedral precipitates revealed that dislocations can cut a precipitate or circumvent it by the Orowan mechanism. Precipitates with radii below are cut whereas both processes were observed for radii in the range of 3–9 nm. The reason for the occurrence of the Orowan mechanism is that dislocation reactions at the interface can lead to sessile dislocations. Orowan circumvention is more likely for spheres than for octahedra which is due to different dislocation types existing at the matrix/precipitate interfaces. On average, the critical resolved shear stress is found to be slightly higher for Orowan processes. In case of small precipitates, the critical resolved shear stress depends strongly on the coherency, whereas for larger precipitates, it is mainly influenced by dislocation reactions at the interface. In some cases, the formation of a jog was observed which can reduce the critical resolved shear stress whereas it was increased significantly in the cases of pronounced cross‐slip without jog formation.
Magnetic anisotropy axis reorientation at ultrathin FePt films
Authors: Kaidatzis Andreas , Psycharis Vassilis , Giannopoulos Georgios , García‐Martín José Miguel , Niarchos Dimitrios
Published: January 2017

Ultrathin FePt films (thickness between 1 nm and 5 nm) were studied for non‐volatile memories applications. The films were magnetron sputtered on monocrystalline MgO⟨001⟩ substrates at 500 °C. The films are polycrystalline, except the 1 nm thick film which is not continuous. It is shown that films with thickness higher than 2.7 nm have L10 structure and perpendicular magnetic anisotropy, while a transition to in‐plane anisotropy occurs for thinner films. The out‐of‐plane coercivity drops from 16 kOe at the thicker film to 0.5 kOe at the thinner one.

Hysteresis cycles of FePt films as a function of film thickness.

magnified image

Hysteresis cycles of FePt films as a function of film thickness.
Simultaneous structural identification of diacylglyceryl‐N‐trimethylhomoserine (DGTS) and diacylglycerylhydroxymethyl‐N,N,N‐trimethyl‐β‐alanine (DGTA) in microalgae using dual Li+/H+ adduct ion mode by ultra‐performance liquid chromatography/quadrupole time‐of‐flight mass spectrometry
Authors: Li Yanrong , Lou Yamin , Mu Tong , Xu Jilin , Zhou Chengxu , Yan Xiaojun
Published: January 2017

Rationale

Diacylgycerol‐N‐trimethylhomoserine (DGTS) and diacylglycerylhydroxymethyl‐N,N,N‐trimethyl‐β‐alanine (DGTA) are structural isomers that are the most commonly described betaine lipids in microalgae. The structural differentiation and precise identification of DGTS and DGTA in microalgae need to be established during mass spectrometry analysis.

Methods

Total lipid was extracted from Amphora sp. with CHCl3/CH3OH (1:1, v/v). The qualitative analysis of DGTS and DGTA in Amphora sp. was carried out using Li+/H+ dual mode by ultra‐performance liquid chromatography/quadrupole time‐of‐flight mass spectrometry operating in MSE mode (UPLC/QTOF MSE).

Results

Characteristic fragment ions [C10H22O5N]+ at m/z 236.15 and [C7H14O2N]+ at m/z 144.10 from the [M + H]+ precursor ion can be used for the qualitative analysis of both DGTA and DGTS, whereas the loss of m/z 87 and 74 from the [M + Li]+ precursor ion are specific for DGTS, and the loss of m/z 103 from the [M + Li]+ precursor ion is only for DGTA. As a result, 9 DGTSs and 16 DGTAs with different fatty acids were identified simultaneously in Amphora sp. Semi‐quantitative analysis of DGTS and DGTA in Amphora sp. showed that the contents of DGTS ranged from 0.003 to 0.438 nmol mg–1 dw, and that of DGTA from 0.004 to 0.414 nmol mg–1 dw.

Conclusions

This is the first report to achieve the ambiguous structural identification of DGTS and DGTA by UPLC/QTOF MSE using dual Li+/H+ adduct ion mode, which has remained a challenge in the past. It could provide new insights into their phylogeny and be helpful to characterize the natural phytoplankton communities as intact polar lipid biomarkers. Copyright © 2017 John Wiley & Sons, Ltd.
Heterologous expression of two Arabidopsis starch dikinases in potato
Authors: Xu Xuan , Dees Dianka , Huang Xing‐Feng , Visser Richard G.F. , Trindade Luisa M.
Published: January 2017

Starch phosphate esters influence physiochemical properties of starch granules that are essential both for starch metabolism and industrial use of starches. To modify properties of potato starch and understand the effect of starch phosphorylation on starch metabolism in storage starch, the starch dikinases from Arabidopsis thaliana, glucan water dikinase 2 and 3 (AtGWD2 and AtGWD3), were heterologously expressed in potato tubers (Solanum tuberosum) from two genetic backgrounds: the amylose‐containing clone Kardal and the amylose‐free mutant amf. Modified starches showed altered granule morphology, but no significant changes in starch phosphate content were observed. Genes involved in starch metabolism did not show altered expression in the transgenic lines relatively to the control; however, sucrose synthase 4 (SUSY4) was upregulated in transgenic tubers with AtGWD2 expression. Taken together, these results demonstrated that expression of AtGWD2 and AtGWD3 are not suitable for engineering starch with a high phosphate content in potato tubers but can provide new insights in the process of starch phosphorylation in the amyloplast.
A faster method for exactly evaluating one‐to‐all reliabilities of telecommunications networks
Authors: Aramata Junpei , Hayashi Masahiro
Published: January 2017

A previously proposed method for evaluating one‐to‐all reliability quickly is only an approximation, and its error estimation is problematic because the error bounds are estimated after the approximation algorithm is executed. Many trial‐and‐error executions are required to reach sufficient error bounds. A method for exact evaluation has now been developed that does not require trial‐and‐error executions to determine whether the evaluation error is sufficiently small. The key idea is the application of a factoring method to evaluate one‐to‐all reliability. Evaluation examples show that this method achieves sufficiently quick evaluation that is clearly faster than the previously proposed method. This method will thus be useful for designing telecommunications networks in developing countries. © 2017 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Lipid Emulsions Containing Medium Chain Triacylglycerols Blunt Bradykinin‐Induced Endothelium‐Dependent Relaxation in Porcine Coronary Artery Rings
Authors: Amissi Said , Boisramé‐Helms Julie , Burban Mélanie , Rashid Sherzad K. , León‐González Antonio J. , Auger Cyril , Toti Florence , Meziani Ferhat , Schini‐Kerth Valérie B.
Published: January 2017

Lipid emulsions for parenteral nutrition are used to provide calories and essential fatty acids for patients. They have been associated with hypertriglyceridemia, hypercholesterolemia, and metabolic stress, which may promote the development of endothelial dysfunction in patients. The aim of the present study was to determine whether five different industrial lipid emulsions may affect the endothelial function of coronary arteries. Porcine coronary artery rings were incubated with lipid emulsions 0.5, 1, or 2% (v/v) for 30 min before the determination of vascular reactivity in organ chambers and the level of oxidative stress using electron paramagnetic resonance. Incubation of coronary artery rings with either Lipidem®, Medialipid® containing long‐ and medium‐chain triacylglycerols (LCT/MCT), or SMOFlipid® containing LCT, MCT, omega‐9, and ‐3, significantly reduced the bradykinin‐induced endothelium‐dependent relaxation, affecting both the nitric oxide (NO) and endothelium‐dependent hyperpolarization (EDH) components, whereas, Intralipid® containing LCT (soybean oil) and ClinOleic® containing LCT (soybean and olive oil) did not have such an effect. The endothelial dysfunction induced by Lipidem® was significantly improved by indomethacin, a cyclooxygenase (COX) inhibitor, inhibitors of oxidative stress (N‐acetylcysteine, superoxide dismutase, catalase) and transition metal chelating agents (neocuproine, tetrathiomolybdate, deferoxamine and l‐histidine). Lipidem® significantly increased the arterial level of oxidative stress. The present findings indicate that lipid emulsions containing LCT/MCT induce endothelial dysfunction in coronary artery rings by blunting both NO‐ and EDH‐mediated relaxations. The Lipidem®‐induced endothelial dysfunction is associated with increased vascular oxidative stress and the formation of COX‐derived vasoconstrictor prostanoids.
Improvement of Subjective Well-Being by Ranolazine in Patients with Chronic Angina and Known Myocardial Ischemia (IMWELL Study)
Authors: Bavry Anthony A. , Park Ki E. , Choi Calvin Y. , Mahmoud Ahmed N. , Wen Xuerong , Elgendy Islam Y.
Published: January 2017

Introduction

We aimed to assess if ranolazine would improve angina symptoms among patients with documented myocardial ischemia.

Methods

Eligible subjects had chronic stable angina and at least one coronary stenosis with fractional flow reserve (FFR) ≤0.80 or at least one chronic total occlusion (CTO) without attempted revascularization. Subjects were randomized to oral ranolazine 500 mg twice daily for 1 week, then ranolazine 1000 mg twice daily for 15 weeks versus matching placebo. The primary end point was change in angina at 16 weeks as assessed by the Seattle Angina Questionnaire (SAQ).

Results

Between September 2014 and January 2016, 25 subjects were randomized to ranolazine versus 25 to placebo. The most common reason for eligibility was CTO (72%), while the remainder had myocardial ischemia documented by low FFR. The mean FFR was 0.57 ± 0.12. Sixty-eight percent of subjects were on two or more anti-angina medications at baseline. Study medication was discontinued in 32% (eight of 25) of the ranolazine group versus 36% (nine of 25) of the placebo group. By intention-to-treat, 46 subjects had baseline and follow-up SAQ data completed. Ranolazine was not associated with an improvement in angina compared with placebo at 16 weeks. The results were similar among 33 subjects that completed study medication. The incidence of ischemia-driven hospitalization or catheterization was 12% (three of 25) of the ranolazine group versus 20% (five of 25) in the placebo group (p > 0.05).

Conclusions

In subjects with chronic stable angina and documented myocardial ischemia, ranolazine did not improve angina symptoms at 16 weeks.

Funding

Gilead.

Clinical trial registration

The study was registered at ClinicalTrials.gov (NCT02265796).
Structural and metabolic differentiation between bipolar disorder with psychosis and substance-induced psychosis: An integrated MRI/PET study
Authors: Altamura A.C. , Delvecchio G. , Marotta G. , Oldani L. , Pigoni A. , Ciappolino V. , Caletti E. , Rovera C. , Dobrea C. , Arici C. , Benatti B. , Camuri G. , Prunas C. , Paoli R.A. , Dell’osso B. , Cinnante C. , Triulzi F.M. , Brambilla P.
Published: January 2017

Background

Bipolar disorder (BD) may be characterized by the presence of psychotic symptoms and comorbid substance abuse. In this context, structural and metabolic dysfunctions have been reported in both BD with psychosis and addiction, separately. In this study, we aimed at identifying neural substrates differentiating psychotic BD, with or without substance abuse, versus substance-induced psychosis (SIP) by coupling, for the first time, magnetic resonance imaging (MRI) and positron emission tomography (PET).

Methods

Twenty-seven BD type I psychotic patients with (n= 10) or without (n= 17) substance abuse, 16 SIP patients and 54 healthy controls were enrolled in this study. 3T MRI and 18-FDG-PET scanning were acquired.

Results

Gray matter (GM) volume and cerebral metabolism reductions in temporal cortices were observed in all patients compared to healthy controls. Moreover, a distinct pattern of fronto-limbic alterations were found in patients with substance abuse. Specifically, BD patients with substance abuse showed volume reductions in ventrolateral prefrontal cortex, anterior cingulate, insula and thalamus, whereas SIP patients in dorsolateral prefrontal cortex and posterior cingulate. Common alterations in cerebellum, parahippocampus and posterior cingulate were found in both BD with substance abuse and SIP. Finally, a unique pattern of GM volumes reduction, with concomitant increased of striatal metabolism, were observed in SIP patients.

Conclusions

These findings contribute to shed light on the identification of common and distinct neural markers associated with bipolar psychosis and substance abuse. Future longitudinal studies should explore the effect of single substances of abuse in patients at the first-episode of BD and substance-induced psychosis.
Recovery assessment scale: Examining the factor structure of the German version (RAS-G) in people with schizophrenia spectrum disorders
Authors: Cavelti M. , Wirtz M. , Corrigan P. , Vauth R.
Published: January 2017

Background

The recovery framework has found its way into local and national mental health services and policies around the world, especially in English speaking countries. To promote this process, it is necessary to assess personal recovery validly and reliably. The Recovery Assessment Scale (RAS) is the most established measure in recovery research. The aim of the current study is to examine the factor structure of the German version of the RAS (RAS-G).

Methods

One hundred and fifty-six German-speaking clients with schizophrenia or schizoaffective disorder from a community mental health service completed the RAS-G plus measures of recovery attitudes, self-stigma, psychotic symptoms, depression, and functioning. A confirmatory factor analysis of the original 24-item RAS version was conducted to examine its factor structure, followed by reliability and validity testing of the extracted factors.

Results

The CFA yielded five factors capturing 14 items which showed a substantial overlap with the original subscales Personal Confidence and Hope, Goal and Success Orientation, Willingness to Ask for Help, Reliance on Others, and No Domination by Symptoms. The factors demonstrated mean to excellent reliability (0.59–0.89) and satisfactory criterial validity by positive correlations with measures of recovery attitudes and functioning, and negative correlations with measures of self-stigma, and psychotic and depressive symptoms.

Conclusions

The study results are discussed in the light of other studies examining the factor structure of the RAS. Overall, they support the use of the RAS-G as a means to promote recovery oriented services, policies, and research in German-speaking countries.
Dawes Review 7: The Tidal Downsizing Hypothesis of Planet Formation
Authors: Nayakshin Sergei
Published: January 2017

Tidal Downsizing scenario of planet formation builds on ideas proposed by Gerard Kuiper in 1951. Detailed simulations of self-gravitating discs, gas fragments, dust grain dynamics, and planet evolutionary calculations are summarised here and used to build a predictive population synthesis. A new interpretation of exoplanetary and debris disc data, the Solar System's origins, and the links between planets and brown dwarfs is offered. Tidal Downsizing predicts that presence of debris discs, sub-Neptune mass planets, planets more massive than ~ 5 Jupiter masses and brown dwarfs should not correlate strongly with the metallicity of the host. For gas giants of ~ Saturn to a few Jupiter mass, a strong host star metallicity correlation is predicted only inwards of a few AU from the host. Composition of massive cores is predicted to be dominated by rock rather than ices. Debris discs made by Tidal Downsizing have an innermost edge larger than about 1 au, have smaller total masses and are usually in a dynamically excited state. Planet formation in surprisingly young or very dynamic systems such as HL Tau and Kepler-444 may be a signature of Tidal Downsizing. Open questions and potential weaknesses of the hypothesis are pointed out.
State-of-the-art MEMS and microsystem tools for brain research
Authors: Seymour John P. , Wu Fan , Wise Kensall D. , Yoon Euisik
Published: January 2017

Mapping brain activity has received growing worldwide interest because it is expected to improve disease treatment and allow for the development of important neuromorphic computational methods. MEMS and microsystems are expected to continue to offer new and exciting solutions to meet the need for high-density, high-fidelity neural interfaces. Herein, the state-of-the-art in recording and stimulation tools for brain research is reviewed, and some of the most significant technology trends shaping the field of neurotechnology are discussed.
Acute D3 Antagonist GSK598809 Selectively Enhances Neural Response During Monetary Reward Anticipation in Drug and Alcohol Dependence
Authors:   ICCAM Platform, Murphy Anna , Nestor Liam J , McGonigle John , Paterson Louise , Boyapati Venkataramana , Ersche Karen D , Flechais Remy , Kuchibatla Shankar , Metastasio Antonio , Orban Csaba , Passetti Filippo , Reed Laurence , Smith Dana , Suckling John , Taylor Eleanor , Robbins Trevor W , Lingford-Hughes Anne , Nutt David J , Deakin John FW , Elliott Rebecca
Published: January 2017

Evidence suggests that disturbances in neurobiological mechanisms of reward and inhibitory control maintain addiction and provoke relapse during abstinence. Abnormalities within the dopamine system may contribute to these disturbances and pharmacologically targeting the D3 dopamine receptor (DRD3) is therefore of significant clinical interest. We used functional magnetic resonance imaging to investigate the acute effects of the DRD3 antagonist GSK598809 on anticipatory reward processing, using the monetary incentive delay task (MIDT), and response inhibition using the Go/No-Go task (GNGT). A double-blind, placebo-controlled, crossover design approach was used in abstinent alcohol dependent, abstinent poly-drug dependent and healthy control volunteers. For the MIDT, there was evidence of blunted ventral striatal response to reward in the poly-drug-dependent group under placebo. GSK598809 normalized ventral striatal reward response and enhanced response in the DRD3-rich regions of the ventral pallidum and substantia nigra. Exploratory investigations suggested that the effects of GSK598809 were mainly driven by those with primary dependence on alcohol but not on opiates. Taken together, these findings suggest that GSK598809 may remediate reward deficits in substance dependence. For the GNGT, enhanced response in the inferior frontal cortex of the poly-drug group was found. However, there were no effects of GSK598809 on the neural network underlying response inhibition nor were there any behavioral drug effects on response inhibition. GSK598809 modulated the neural network underlying reward anticipation but not response inhibition, suggesting that DRD3 antagonists may restore reward deficits in addiction.
Cyclopentadienone iron complexes as efficient and selective catalysts for the electroreduction of CO2 to CO
Authors: Rosas-Hernández Alonso , Junge Henrik , Beller Matthias , Roemelt Michael , Francke Robert
Published: January 2017

Robust and easy-to-synthesize cyclopentadienone iron(0) complexes selectively catalyze the electrochemical conversion of CO2 to CO. Cooperation between the metal center and the coordinated organic ligand is a key factor for activity of these novel electrocatalysts.