bluuebunny/crossref_metadata_2025 huggingface dataset:
Editorials urge focus on science when it comes to marijuana
Authors: Knopf Alison
Published: January 2017

Two editorials accompanied the study of the effect of recreational marijuana legalization on teens in Washington state and Colorado (see story, p. 1). One, by Wayne Hall, Ph.D., from Australia noted that the researchers hypothesized that the reason legalization was followed by an increase in teen use in Washington but not in Colorado was because for‐profit medical marijuana dispensaries, and marijuana advertising, had been legal in Colorado long before legalization. “This hypothesis is supported by other evidence that the perceived risks of marijuana use decreased and marijuana use increased among young people in Colorado after these changes in 2009,” Hall wrote in his editorial.
How ACA repeal could hurt treatment
Authors: Knopf Alison
Published: January 2017

Repealing the Affordable Care Act (ACA) could undo the gains of the Cures Act, which gave $200 million to serious mental disorders and $1 billion to opioid use disorder treatment over the next two fiscal years, and go even farther, taking billions away from treatment for substance use disorders and mental illnesses in years to come. The ACA, which builds upon the Mental Health Parity and Addictions Equity Act (MHPAEA), gave many people health insurance who didn't have it before, either through Medicaid expansion or subsidies of marketplace plans. Without the protections of the ACA, insurance companies could also single out people with pre‐existing conditions to deny coverage. Rolling back the ACA will mean many people with mental illness and SUDs will end up in prison and jail instead of treatment, wrote Richard G. Frank, Ph.D., and Sherry Glied, Ph.D. in The Hill January 11. Frank was formerly the Assistant Secretary for Planning and Evaluation at the Department of Health and Human Services, where he shepherded many initiatives through the regulatory process.
Don't tell, don't ask, don't listen: The trinity of ignoring childhood sexual abuse
Authors: Twomey Jean
Published: January 2017

Childhood sexual abuse is an easily avoided topic. Its very nature demands secrecy. Perpetrators frighten, extort, and cajole children into silence. Sexually abused children do not have the words to explain their experiences because of their confusion and fear and their lack of understanding about sex. So, it is hard for children to tell about being sexually abused.
Vaccines do not cause autism: Pediatricians fight back against anti‐science
Authors: Knopf Alison
Published: January 2017

It's frightening for parents of a child with autism to hear about anything that could cause it, especially something the parents could have prevented. Nobody knows what causes it. But they do know this: vaccination does not cause autism. Parents who have been misled into believing that vaccination is harmful are seen on a regular basis by pediatricians, who try to convince them that they're wrong and their child needs to be protected against infectious diseases. As one pediatrician told us, “It's like talking to someone who believes the moon is made of green cheese — what can you say?”
Alcohol Dehydrogenases Catalyze the Reduction of Thioesters
Authors: Younes Sabry H. H. , Ni Yan , Schmidt Sandy , Kroutil Wolfgang , Hollmann Frank
Published: January 2017

Alcohol dehydrogenases are well‐established catalysts for various reduction reactions. However, the reduction of carboxylic acid derivatives has not yet been reported with these enzymes. In this contribution, we demonstrated that carboxylic acid thioesters could be readily reduced by a range of alcohol dehydrogenases, albeit at significantly reduced rates relative to those observed for corresponding ketones. A molecular explanation, especially for the lower turnover rates for thioesters relative to those obtained for ketones, is presented, as is a preliminary substrate scope.
Luminescent Metal–Organic‐Framework‐Based Label‐Free Assay of Polyphenol Oxidase with Fluorescent Scan
Authors: Li Yue , Guo An , Chang Lan , Li Wen‐Juan , Ruan Wen‐Juan
Published: January 2017

Metal–organic frameworks (MOFs) are emerging in recent years as a kind of versatile fluorescent sensing materials, but their application to enzyme assays has rarely been studied. Here, the first example of a MOF‐based label‐free enzyme assay system is reported. A luminescent MOF was synthesized and applied to the activity analysis of polyphenol oxidase (PPO). With its distinct responses to the phenolic substrate and o‐quinone product, this MOF could transduce the extent of PPO‐catalyzed oxidation to fluorescence signal and enable the real‐time monitoring of this reaction. Wide substrate adaptability and high sensitivity (detection limit=0.00012 U mL−1) were exhibited by this method, which meets the requirement of common bioanalysis. Interestingly, by the comparison with molecular capturing reagents, the heterogeneous nature of this MOF‐based assay effectively preventing the interaction with the enzyme was proven, thus ensuring the authenticity of results.
Functionalization of Hydrogenated Chemical Vapour Deposition‐Grown Graphene by On‐Surface Chemical Reactions
Authors: Drogowska Karolina , Kovaříček Petr , Kalbáč Martin
Published: January 2017

Invited for the cover of this issue is the group of Martin Kalbáč at the Academy of Sciences of the Czech Republic. The image depicts in comic‐book style the exciting prospect of functionalizing partly hydrogenated graphene. Read the full text of the article at 10.1002/chem.201605385.
Sodium Titanate/Carbon (Na2Ti3O7/C) Nanofibers via Electrospinning Technique as the Anode of Sodium‐ion Batteries
Authors: Zou Wei , Fan Cong , Li Jingze
Published: January 2017

To overcome the sluggish kinetics in sodium‐ion batteries, sodium titanate/carbon (Na2Ti3O7/C) composite nanofibers as anode materials have successfully been synthesized via a simple electrospinning method. After calcination at 800 °C for 3 h, the obtained Na2Ti3O7 nanoparticles are randomly dispersed in the matrix of in situ pyrolized carbon nanofiber. The Na2Ti3O7/C hybrid nanofiber obtained with 2.5 wt% of poly (vinylpyrrolidone) additive in the precursor solution has the smallest diameter of ~120 nm and the finest particle size of ~40 nm, exhibiting the best rate performance of 101 mAh•g−1 at 4 C and excellent capacity retention of 82% at 1 C after 100 cycles. Furthermore, this composite nanofiber also demonstrates good cycling performance under low current density of 0.1 C, which is attributed to the formation of stable solid electrolyte interface (SEI) film induced by small volume expansion/contraction of the fine Na2Ti3O7 nanoparticles during the charge/discharge process.
Unconventional Nonlinear Input–Output Response in a Luminescent Molecular Switch by Inner Filtering Effects
Authors: Baroncini Massimo , Semeraro Monica , Credi Alberto
Published: January 2017

Nonlinear input–output relations are at the basis of the regulation of biochemical processes in living organisms and are important for the development of digital logic circuits based on molecules. In this article we show that a linear change of a chemical input can be translated into an exponential change of a luminescence output in a simple fluorescent acid‐base switch based on 8‐methoxyquinoline. Such unconventional behavior arises from the fact that part of the light emitted by the switch in its basic form is reabsorbed by the acid form, and is made possible by the particular spectroscopic properties of the two forms. Systems of this kind could act as noise filters in analog‐to‐digital conversion, and as control elements to increase the functional complexity of artificial molecular devices.
Towards full Quantum‐Mechanics‐based Protein–Ligand Binding Affinities
Authors: Ehrlich Stephan , Göller Andreas H. , Grimme Stefan
Published: January 2017

Computational methods play a key role in modern drug design in the pharmaceutical industry but are mostly based on force fields, which are limited in accuracy when describing non‐classical binding effects, proton transfer, or metal coordination. Here, we propose a general fully quantum mechanical (QM) scheme for the computation of protein–ligand affinities. It works on a single protein cutout (of about 1000 atoms) and evaluates all contributions (interaction energy, solvation, thermostatistical) to absolute binding free energy on the highest feasible QM level. The methodology is tested on two different protein targets: activated serine protease factor X (FXa) and tyrosine‐protein kinase 2 (TYK2). We demonstrate that the geometry of the model systems can be efficiently energy‐minimized by using general purpose graphics processing units, resulting in structures that are close to the co‐crystallized protein–ligand structures. Our best calculations at a hybrid DFT level (PBEh‐3c composite method) for the FXa ligand set result in an overall mean absolute deviation as low as 2.1 kcal mol−1. Though very encouraging, an analysis of outliers indicates that the structure optimization level, conformational sampling, and solvation treatment require further improvement.
Characterization of hallucinogenic phenethylamines using high‐resolution mass spectrometry for non‐targeted screening purposes
Authors: Pasin Daniel , Cawley Adam , Bidny Sergei , Fu Shanlin
Published: January 2017

Hallucinogenic phenethylamines such as 2,5‐dimethoxyphenethylamines (2C–X) and their N‐(2‐methoxybenzyl) derivatives (25X–NBOMe) have seen an increase in novel analogues in recent years. These rapidly changing analogues make it difficult for laboratories to rely on traditional targeted screening methods to detect unknown new psychoactive substances (NPS). In this study, twelve 2C–X, six 2,5‐dimethoxyamphetamines (DOX), and fourteen 25X–NBOMe derivatives, including two deuterated derivatives (2C–B‐d6 and 25I–NBOMe‐d9), were analyzed using ultra‐performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry (UPLC‐QTOF‐MS). Collision‐induced dissociation (CID) experiments were performed using collision energies set at 10, 20, and 40 eV. For 2C–X and DOX derivatives, common losses were observed including neutral and radical losses such as NH3 (17.0265 Da), •CH6N (32.0500 Da), C2H7N (45.0578 Da) and C2H9N (47.0735 Da). 2C–X derivatives displayed common product ions at m/z 164.0837 ([C10H12O2]+•), 149.0603 ([C9H9O2]+), and 134.0732 ([C9H10O]+•) while DOX derivatives had common product ions at m/z 178.0994 ([C11H14O2]+•), 163.0754 ([C10H11O2]+), 147.0804 ([C10H11O]+), and 135.0810 ([C9H11O]+). 25X–NBOMe had characteristic product ions at m/z 121.0654 ([C8H9O]+) and 91.0548 ([C7H7]+) with minor common losses corresponding to 2‐methylanisole (C8H10O, 122.0732 Da), 2‐methoxybenzylamine (C8H11NO, 137.0847 Da), and •C9H14NO (152.1074 Da). Novel analogues of the selected classes can be detected by applying neutral loss filters (NLFs) and extracting the common product ions. Copyright © 2017 John Wiley & Sons, Ltd.
Mediterranean diet and risk of heart failure: results from the PREDIMED randomized controlled trial
Authors: Papadaki Angeliki , Martínez‐González Miguel Ángel , Alonso‐Gómez Angel , Rekondo Javier , Salas‐Salvadó Jordi , Corella Dolores , Ros Emilio , Fitó Montse , Estruch Ramon , Lapetra José , García‐Rodriguez Antonio , Fiol Miquel , Serra‐Majem Lluís , Pintó Xavier , Ruiz‐Canela Miguel , Bulló Monica , Serra‐Mir Mercè , Sorlí Jose V. , Arós Fernando
Published: January 2017

Aims

The aim of this study was to evaluate the effect of the Mediterranean diet (MedDiet) on the incidence of heart failure (HF), a pre‐specified secondary outcome in the PREDIMED (PREvención con DIeta MEDiterránea) primary nutrition‐intervention prevention trial.

Methods and results

Participants at high risk of cardiovascular disease were randomly assigned to one of three diets: MedDiet supplemented with extra‐virgin olive oil (EVOO), MedDiet supplemented with nuts, or a low‐fat control diet. Incident HF was ascertained by a Committee for Adjudication of events blinded to group allocation. Among 7403 participants without prevalent HF followed for a median of 4.8 years, we observed 29 new HF cases in the MedDiet with EVOO group, 33 in the MedDiet with nuts group, and 32 in the control group. No significant association with HF incidence was found for the MedDiet with EVOO and MedDiet with nuts, compared with the control group [hazard ratio (HR) 0.68; 95% confidence interval (CI) 0.41–1.13, and HR 0.92; 95% CI 0.56–1.49, respectively].

Conclusion

In this sample of adults at high cardiovascular risk, the MedDiet did not result in lower HF incidence. However, this pre‐specified secondary analysis may have been underpowered to provide valid conclusions. Further randomized controlled trials with HF as a primary outcome are needed to better assess the effect of the MedDiet on HF risk.

Trial registration:ISRCTN35739639.
Impedimetric Enzyme‐Free Detection of Glucose via a Computation‐Designed Molecularly Imprinted Electrochemical Sensor Fabricated on Porous Ni Foam
Authors: Li X. , Niu X.H. , Wu H.Y. , Meng S.C. , Zhang W.C. , Pan J.M. , Qiu F.X.
Published: January 2017

Here we report a new molecularly imprinted electrochemical sensor (MIECS) for the impedimetric enzyme‐free analysis of glucose. A computational modeling strategy was first utilized to screen promising functional monomers for imprinting assembly, and simulation data suggested that methacrylic acid (MAA) exhibited a preferable capability to recognize the target molecule compared to other common monomers. Then the MIECS was prepared via introducing MAA‐based recognition sites onto a porous Ni foam with large surface. The fabricated sensor was subtly characterized by Raman spectroscopy, scanning electron microscopy, and cyclic voltammetry, and an impedimetric method was selected to detect the glucose target in a basic medium. Experimental results demonstrated that the proposed MIECS could selectively recognize glucose against coexisting species, with good linear responses of the charge transfer resistance upon the target concentration in the scope of 10∼55 mM. These results indicate its potential applications in the recognization and detection of glucose in complex matrices.
Yield frequency spectra and seismic design of code‐compatible RC structures: an illustrative example
Authors: Katsanos Evangelos I. , Vamvatsikos Dimitrios
Published: January 2017

The seismic design of an eight‐story reinforced concrete space frame building is undertaken using a yield frequency spectra (YFS) performance‐based approach. YFS offer a visual representation of the entire range of a system's performance in terms of the mean annual frequency (MAF) of exceeding arbitrary global ductility or displacement levels versus the base shear strength. As such, the YFS framework can establish the required base shear and corresponding first‐mode period to satisfy arbitrary performance objectives for any structure that may be approximated by a single‐degree‐of‐freedom system with given yield displacement and capacity curve shape. For the eight‐story case study building, deformation checking is the governing limit state. A conventional code‐based design was performed using seismic intensities tied to the desired MAF for safety checking. Then, the YFS‐based approach was employed to redesign the resulting structure working backwards from the desired MAF of response (rather than intensity) to estimate an appropriate value of seismic intensity for use within a typical engineering design process. For this high‐seismicity and high‐importance midrise building, a stiffer system with higher base shear strength was thus derived. Moreover, performance assessment via incremental dynamic analysis showed that while the code‐design did not meet the required performance objective, the YFS‐based redesign needed only pushover analysis results to offer a near‐optimal design outcome. The rapid convergence of the method in a single design/analysis iteration emphasized its efficiency and practicability as a design aid for practical application. Copyright © 2017 John Wiley & Sons, Ltd.
The Prevalence of Past 12‐Month and Lifetime DSM‐IV Eating Disorders by BMI Category in US Men and Women
Authors: Duncan Alexis E. , Ziobrowski Hannah N. , Nicol Ginger
Published: January 2017

Objective

This study aims to determine whether the prevalence of lifetime and past 12‐month DSM‐IV eating disorders (ED) diagnoses differed by body mass index category among men and women in a general population sample.

Methods

Data from the Collaborative Psychiatric Epidemiology Surveys (n = 12 337 adults) were analysed using logistic regression. Analyses were conducted separately by gender.

Results

Lifetime ED prevalence was 2.22% in men and 4.93% in women. In both genders, the prevalence of any lifetime and past 12‐month ED, binge eating disorder and recurrent binge eating was highest among obese individuals. Among obese men and women, lifetime and past 12‐month ED prevalence was highest among those with class III obesity.

Conclusion

Eating disorders were most prevalent among high‐weight individuals. This information is important for planning targeted public health ED and obesity prevention and intervention activities, as well as for informing the clinical care of obese individuals. Copyright © 2017 John Wiley & Sons, Ltd and Eating Disorders Association.
Species-specific and structure-dependent debromination of polybrominated diphenyl ether in fish by in vitro hepatic metabolism
Authors: Luo Yuan-Lai , Luo Xiao-Jun , Ye Mei-Xia , Zeng Yan-Hong , Chen She-Jun , Mai Bi-Xian
Published: January 2017

To explore the cause of species-specific differences and structure–activity relationships in the debromination of polybrominated diphenyl ethers (PBDEs) in fish, a series of in vitro measurements of hepatic metabolism of PBDE were made using crucian carp (Carassius carassius) and catfish (Silurus asotus) and the activity of deiodinase in liver microsomes was measured. Debromination was observed in the crucian carp but not in the catfish. No difference was found in total deiodinase activity despite the activity of type 1 deiodinase in crucian carp being twice that of catfish. It is difficult to determine whether the differences in deiodinase activity were responsible for the species-specific differences observed. In crucian carp, penta-brominated diphenyl ether congeners exhibited the highest debromination rates, and the transformation rate decreased with an increasing number of substituted bromines. Adjacent bromine substitution in the phenyl ring was a necessary, but insufficient, condition for debromination in crucian carp. Doubly flanked bromine was always preferentially removed, while single-flanked bromine, meta-substituted bromine, was debrominated the most, followed by para- and then ortho-bromine. No debromination was observed for single-flanked bromine when there was a symmetrical structure with (2, 4, 6) bromine substitutions in 1 phenyl ring, indicating that this structure can improve resistance to debromination metabolism. Environ Toxicol Chem 2017;36:2005–2011. © 2017 SETAC
Theory of Amyloid Fibril Nucleation from Folded Proteins
Authors: Zhang Lingyun , Schmit Jeremy D.
Published: January 2017

We present a theoretical model for the nucleation of amyloid fibrils. In our model, we use helix‐coil theory to describe the equilibrium between a soluble native state and an aggregation‐prone unfolded state. We then extend the theory to include oligomers with β‐sheet cores, and calculate the free energy of these states using estimates for the energies of H‐bonds, steric‐zipper interactions, and the conformational entropy cost of forming secondary structure. We find that states with fewer than ∼10 β‐strands are unstable, relative to the dissociated state, and three β‐strands is the highest free‐energy state. We then use a modified version of classical nucleation theory to compute the nucleation rate of fibrils from a supersaturated solution of monomers, dimers, and trimers. The nucleation rate has a nonmonotonic dependence on denaturant concentration, reflecting the competing effects of destabilizing the fibril and increasing the concentration of unfolded monomers. We estimate heterogeneous nucleation rates, and discuss the application of our model to secondary nucleation.
Differential standard deviation of log‐scale intensity based optical coherence tomography angiography
Authors: Shi Weisong , Gao Wanrong , Chen Chaoliang , Yang Victor X. D.
Published: January 2017

In this paper, a differential standard deviation of log‐scale intensity (DSDLI) based optical coherence tomography angiography (OCTA) is presented for calculating microvascular images of human skin. The DSDLI algorithm calculates the variance in difference images of two consecutive log‐scale intensity based structural images from the same position along depth direction to contrast blood flow. The en face microvascular images were then generated by calculating the standard deviation of the differential log‐scale intensities within the specific depth range, resulting in an improvement in spatial resolution and SNR in microvascular images compared to speckle variance OCT and power intensity differential method. The performance of DSDLI was testified by both phantom and in vivo experiments. In in vivo experiments, a self‐adaptive sub‐pixel image registration algorithm was performed to remove the bulk motion noise, where 2D Fourier transform was utilized to generate new images with spatial interval equal to half of the distance between two pixels in both fast‐scanning and depth directions. The SNRs of signals of flowing particles are improved by 7.3 dB and 6.8 dB on average in phantom and in vivo experiments, respectively, while the average spatial resolution of images of in vivo blood vessels is increased by 21%.

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Low Testosterone, but Not Estradiol, Is Associated With Incident Falls in Older Men: The International MrOS Study
Authors: Vandenput Liesbeth , Mellström Dan , Laughlin Gail A , Cawthon Peggy M , Cauley Jane A , Hoffman Andrew R , Karlsson Magnus K , Rosengren Björn E , Ljunggren Östen , Nethander Maria , Eriksson Anna L , Lorentzon Mattias , Leung Jason , Kwok Timothy , Orwoll Eric S , Ohlsson Claes
Published: January 2017

Fracture risk is determined by bone strength and the risk of falls. The relationship between serum sex steroids and bone strength parameters in men is well known, whereas the predictive value of sex steroids for falls is less studied. The aim of this study was to assess the associations between serum testosterone (T) and estradiol (E2) and the likelihood of falls. Older men (aged ≥65 years) from the United States (n = 1919), Sweden (n = 2495), and Hong Kong (n = 1469) participating in the Osteoporotic Fractures in Men Study had baseline T and E2 analyzed by mass spectrometry. Bioavailable (Bio) levels were calculated using mass action equations. Incident falls were ascertained every 4 months during a mean follow‐up of 5.7 years. Associations between sex steroids and falls were estimated by generalized estimating equations. Fall rate was highest in the US and lowest in Hong Kong (US 0.50, Sweden 0.31, Hong Kong 0.12 fall reports/person/year). In the combined cohort of 5883 men, total T (odds ratio [OR] per SD increase = 0.88, 95% confidence interval [CI] 0.86–0.91) and BioT (OR = 0.86, 95% CI 0.83–0.88) were associated with incident falls in models adjusted for age and prevalent falls. These associations were only slightly attenuated after simultaneous adjustment for physical performance variables (total T: OR = 0.94, 95% CI 0.91–0.96; BioT: OR = 0.91, 95% CI 0.89–0.94). E2, BioE2, and sex hormone‐binding globulin (SHBG) were not significantly associated with falls. Analyses in the individual cohorts showed that both total T and BioT were associated with falls in MrOS US and Sweden. No association was found in MrOS Hong Kong, and this may be attributable to environmental factors rather than ethnic differences because total T and BioT predicted falls in MrOS US Asians. In conclusion, low total T and BioT levels, but not E2 or SHBG, are associated with increased falls in older men. © 2017 The Authors. Journal of Bone and Mineral Research Published by Wiley Periodicals, Inc.
MPI/OpenMP hybrid parallel algorithm for resolution of identity second‐order Møller–Plesset perturbation calculation of analytical energy gradient for massively parallel multicore supercomputers
Authors: Katouda Michio , Nakajima Takahito
Published: January 2017

A massively parallel algorithm of the analytical energy gradient calculations based the resolution of identity Møller–Plesset perturbation (RI‐MP2) method from the restricted Hartree–Fock reference is presented for geometry optimization calculations and one‐electron property calculations of large molecules. This algorithm is designed for massively parallel computation on multicore supercomputers applying the Message Passing Interface (MPI) and Open Multi‐Processing (OpenMP) hybrid parallel programming model. In this algorithm, the two‐dimensional hierarchical MP2 parallelization scheme is applied using a huge number of MPI processes (more than 1000 MPI processes) for acceleration of the computationally demanding O(N5) step such as calculations of occupied–occupied and virtual–virtual blocks of MP2 one‐particle density matrix and MP2 two‐particle density matrices. The new parallel algorithm performance is assessed using test calculations of several large molecules such as buckycatcher C60@C60H28 (144 atoms, 1820 atomic orbitals (AOs) for def2‐SVP basis set, and 3888 AOs for def2‐TZVP), nanographene dimer (C96H24)2 (240 atoms, 2928 AOs for def2‐SVP, and 6432 AOs for cc‐pVTZ), and trp‐cage protein 1L2Y (304 atoms and 2906 AOs for def2‐SVP) using up to 32,768 nodes and 262,144 central processing unit (CPU) cores of the K computer. The results of geometry optimization calculations of trp‐cage protein 1L2Y at the RI‐MP2/def2‐SVP level using the 3072 nodes and 24,576 cores of the K computer are presented and discussed to assess the efficiency of the proposed algorithm. © 2017 Wiley Periodicals, Inc.
Automated first‐principles mapping for phase‐change materials
Authors: Esser Marc , Maintz Stefan , Dronskowski Richard
Published: January 2017

Plotting materials on bi‐coordinate maps according to physically meaningful descriptors has a successful tradition in computational solid‐state science spanning more than four decades. Equipped with new ab initio techniques introduced in this work, we generate an improved version of the treasure map for phase‐change materials (PCMs) as introduced previously by Lencer et al. which, other than before, charts all industrially used PCMs correctly. Furthermore, we suggest seven new PCM candidates, namely SiSb4Te7, Si2Sb2Te5, SiAs2Te4, PbAs2Te4, SiSb2Te4, Sn2As2Te5, and PbAs4Te7, to be used as synthetic targets. To realize aforementioned maps based on orbital mixing (or “hybridization”) and ionicity coordinates, structural information was first included into an ab initio numerical descriptor for sp3 orbital mixing and then generalized beyond high‐symmetry structures. In addition, a simple, yet powerful quantum‐mechanical ionization measure also including structural information was introduced. Taken together, these tools allow for (automatically) generating materials maps solely relying on first‐principles calculations. © 2017 Wiley Periodicals, Inc.
Chronic infusion of SOD1G93A astrocyte‐secreted factors induces spinal motoneuron degeneration and neuromuscular dysfunction in healthy rats
Authors: Ramírez‐Jarquín Uri N. , Rojas Fabiola , van Zundert Brigitte , Tapia Ricardo
Published: January 2017

Amyotrophic lateral sclerosis is a fatal neurodegenerative disease and studies in vitro show that motoneuron degeneration is triggered by non‐cell‐autonomous mechanisms. However, whether soluble toxic factor(s) released by mutant superoxide dismutase 1 (SOD1) expressing astrocytes induces death of motoneurons and leads to motor dysfunction in vivo is not known. To directly test this, healthy adult rats were treated with conditioned media derived from primary mouse astrocytes (ACM) that express human (h) SOD1G93A (ACM‐hG93A) via chronic osmotic pump infusion in the lumbar spinal cord. Controls included ACM derived from transgenic mice expressing hSOD1WT (ACM‐hWT) or non‐transgenic mouse SOD1WT (ACM‐WT) astrocytes. Rats chronically infused with ACM‐hG93A started to develop motor dysfunction at 8 days, as measured by rotarod performance. Additionally, immunohistochemical analyses at day 16 revealed reactive astrogliosis and significant loss of motoneurons in the ventral horn of the infused region. Controls did not show significant motor behavior alterations or neuronal damage. Thus, we demonstrate that factors released in vitro from astrocytes derived from ALS mice cause spinal motoneuron death and consequent neuromuscular dysfunction in vivo.
Advanced glycation end products (AGE) potentiates cell death in p53 negative cells via upregulaion of NF‐kappa B and impairment of autophagy
Authors: Verma Neeharika , Manna Sunil K.
Published: January 2017

Accumulation of advanced glycation end products (AGE) in diabetic patients and ageing people due to excess availability of simple 3‐ or 4‐carbon sugars, is well‐known. AGE has multiple deleterious effects including age‐related disorders, apoptosis, inflammation, and obesity. We have found that AGE increases autophagy but the sustained amount of autophagosomes is observed till 3 days without maturation. It is important to understand the underlying mechanism of AGE‐mediated signaling responsible for impairment of autophagy and its correlation to the induction of several adverse effects. We have identified cross talk between autophagy and apoptosis upon AGE stimulation, specifically in p53 negative cells. AGE impairs autophagosomes' clearance in p53 negative cells as observed with an autophagosome maturation blocker‐bafilomycinA1 treated cells. This autophagy impairment is well supported by upregulation and overexpression of NF‐κB in these p53 negative cells. Autophagy impairment acts as a switch to initiate apoptosis via regulation of NF‐κB and its dependent genes. Increase in the expression of NF‐κB‐dependent NEDD4, an E3 ubiquitin ligase, which targets Beclin1 for cleavage is also evident. Beclin1 interacts with Bcl‐2, an anti‐apoptotic protein thereby engaging it to facilitate apoptosis upon AGE stimulation. For the first time, we are providing data that NF‐κB targeted cell signaling is involved in AGE‐mediated autophagy impairment in p53 negative/null cells. The p53 acts antagonistically to prevent this impairment. This study will help to control the AGE‐mediated detrimental effects associated with ageing and lysosomal storage disorders.
Recent advances in the production of γ‐valerolactone from biomass‐derived feedstocks via heterogeneous catalytic transfer hydrogenation
Authors: Osatiashtiani Amin , Lee Adam F , Wilson Karen
Published: January 2017

γ‐valerolactone (GVL) is an important intermediate chemical with a wide range of applications as fuel, fuel additive and as a green solvent which has received a great deal of attentions from both academia and industry. This review aims to summarise the advances in conversion of renewable feedstocks into GVL through heterogeneous catalytic transfer hydrogenation (CTH) with a strong emphasis on discussing preparation, characterisation and performance of the catalysts in order to provide a better understanding of various catalytic systems and also to compare them in terms of catalytic performance. © 2017 Society of Chemical Industry
Α‐synuclein induces microglial cell migration through stimulating HIF‐1α accumulation
Authors: Qiao Hongfei , He Xijing , Zhang Qiaojun , Zhang Ni , Li Libo , Hui Yanping , Li Wenjuan , Wang Dong , Wu Zhonghen
Published: January 2017

Microglial cell migration and infiltration plays a critical role in spinal cord injury after thoracoabdominal aortic surgery. In our previous study, α‐synuclein, a presynaptic protein was shown to be released from injured neurons and cause microglial cell activation. Here, we aimed to explore the effect of α‐synuclein on microglial cell migration. Primary microglial cells were isolated from Sprague–Dawley rats and then exposed different doses (0.2, 0.4, and 0.6 μM) of α‐synuclein oligomers. The mRNA and protein levels of HIF‐1α were then analyzed by qRT‐PCR and Western blot. Cell migration was examined by a 96‐well Boyden chamber. Moreover, toll‐like receptor (TLR) 2‐expression as well as TLR7/8‐expression was inhibited by specific siRNA transfection. HIF‐1α was overexpressed by Ad‐HIF‐1α transfection. In the results, α‐synuclein was found to stimulate HIF‐1α accumulation in microglial cells in a dose‐dependent manner. Silencing HIF‐1α expression dampened α‐synuclein induced microglial cell migration. Furthermore, blockade of TLR7/8 expression but not TLR2 expression reduced HIF‐1α accumulation in microglial cells. In addition, overexpressed HIF‐1α, along with Src, prompted caveolin‐1 expression and phosphorylation, as well as migration in microglial cells. Α‐synuclein acts via TLR7/8 and enhances HIF‐1α expression, which might play a regulatory role in microglial cell migration. © 2017 Wiley Periodicals, Inc.
Wheat yield in Spain and associated solar radiation patterns
Authors: Hernández‐Barrera Sara , Rodríguez‐Puebla Concepción
Published: January 2017

Climate variability and change can have important impacts for crop production. Therefore, the aim of this study is to investigate projections of the wheat yield in an increasingly warm climate. To address our objectives, we determined relationships between wheat yield in Spain and large‐scale variables. Partial least squares regression was applied to determine the modes of the climate variables that drive wheat‐yield variability, revealing a significant influence of surface solar radiation. Based on seasonal patterns of solar radiation, we determine models to estimate inter‐annual wheat‐yield variability. We find that the performance of the models based on solar radiation is better than that of earlier studies based on temperatures and precipitation variables. In this way, we use simulations of the Coupled Model Intercomparison Project Phase 5 (CMIP5) to project wheat‐yield trend under warming climate by implementing direct statistical downscaling. The expected range of projected wheat yield trend for 21st century indicates decreases of about 6–8% across Spain. The suggested models could be applied for adaptation and planning.
Glucose homeostasis influences the risk of incident knee osteoarthritis: Data from the osteoarthritis initiative
Authors: Driban Jeffrey B. , Eaton Charles B. , Amin Mamta , Stout Alina C. , Price Lori Lyn , Lu Bing , Lo Grace H. , McAlindon Timothy E. , Barbe Mary F.
Published: January 2017

We aimed to determine if serum measures of impaired glucose homeostasis (glucose concentrations or glycated serum protein, GSP) or systemic inflammation (high‐sensitivity C‐reactive protein, CRP) are related to incident typical knee osteoarthritis (KOA) or incident accelerated KOA. We conducted a case‐control study using the Osteoarthritis Initiative's baseline and first four annual visits. All participants had no radiographic KOA at baseline (Kellgren‐Lawrence [KL] < 2). We classified three groups: (i) incident accelerated KOA: >1 knee developed advance‐stage KOA (KL Grade 3 or 4) within 48 months; (ii) incident typical KOA: > 1 knee increased in radiographic scoring within 48 months (excluding those with accelerated KOA); and (iii) No KOA: no change in KL grade by 48 months. We matched on sex. A laboratory blinded to group assignment used baseline serum samples to conduct assays for CRP, GSP, and glucose. Due to nonlinear relationships, we used three piece‐wise multinomial logistic regression models to determine if baseline CRP, GSP, or glucose were associated with incident typical KOA or accelerated KOA compared with no KOA. We adjusted for age, body mass index, and sex. We analyzed 54 adults/group. Lower and higher GSP concentrations were associated with incident typical KOA compared with adults with concentrations (log) closer to 5.7 (lnGSp < 5.7: OR = 0.28, 95%CI = 0.08–0.93; lnGSp > 5.7: OR = 3.21, 95%CI = 1.07–9.62). Glucose, GSP, and CRP were not significantly associated with incident accelerated KOA. Glucose homeostasis may predict individuals at risk of incident typical KOA but not accelerated KOA, which may indicate accelerated KOA is a distinct disorder from typical KOA. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 35:2282–2287, 2017.
Nutritional value and antioxidant content of seed‐containing and seedless eggplant fruits of two cultivars grown under protected cultivation during autumn–winter and spring–summer
Authors: Makrogianni Despoina I , Tsistraki Anastasia , Karapanos Ioannis C , Passam Harold C
Published: January 2017

BACKGROUND

Due to their low carbohydrate and high antioxidant content, eggplants are beneficial for the human diet. At <15 °C, pollen production and fertility are reduced and plant‐growth regulators may be used to set seedless fruit. Because only the agronomic effects of hormone are well‐documented, we investigated the composition and metabolism during the development/maturation of seed‐containing and seedless fruits of two cultivars grown over two seasons.

RESULTS

The respiration rate of both seedless and seed‐containing fruit decreased with development and maturation. In seedless fruit, starch content decreased at market maturity, whereas in seed‐containing fruit starch increased. Respiration and starch were higher in spring–summer than in autumn–winter. Disaccharides were highest at market maturity, with sucrose generally higher in seed‐containing fruit; monosaccharides were variable and protein content was reduced in seedless fruit. Phenols closely correlated with antioxidant activity and decreased with development; at market maturity in spring–summer phenols were higher in seedless fruit (Tsakoniki) or unaffected (Emi). Polyphenol oxidase and peroxidase activities were mostly higher in seed‐containing fruit, but browning was higher in seedless fruit.

CONCLUSIONS

Notwithstanding reduced protein and increased browning, seedless fruit at market maturity presented less starch, hence fewer calories, and more antioxidants (phenols) for the human diet than the corresponding seed‐containing fruit. © 2017 Society of Chemical Industry
Evaluation of vegetable–faba bean (Vicia faba L.) intercropping under Latvian agro‐ecological conditions
Authors: Lepse Līga , Dane Sandra , Zeipiņa Solvita , Domínguez‐Perles Raul , Rosa Eduardo AS
Published: January 2017

BACKGROUND

Monoculture is used mostly in conventional agriculture, where a single crop is cultivated on the same land for a period of at least 12 months. In an organic and integrated growing approach, more attention is paid to plant–environment interactions and, as a result, diverse growing systems applying intercropping, catch crops, and green manure are being implemented. Thus, field experiments for evaluation of vegetable/faba bean full intercropping efficiency, in terms of vegetable and faba bean yield and protein content, were set up during two consecutive growing seasons (2014 and 2015).

RESULTS

Data obtained showed that the most efficient intercropping variants were cabbage/faba bean (cabbage yield 1.27–2.91 kg m−2, immature faba bean pods 0.20–0.43 kg m−2) and carrot/faba bean (carrot yield 1.67–2.28 kg m−2, immature faba bean pods 0.10–0.52 kg m−2), whilst onion and faba bean intercrop is not recommended for vegetable growing since it induces a very low onion yield (0.66–1.09 kg m−2), although the highest immature faba bean pod yield was found in the onion/faba bean intercropping scheme (up to 0.56 kg m−2).

CONCLUSION

Vegetable/faba bean intercropping can be used in practical horticulture for carrot and cabbage growing in order to ensure sustainable farming and environmentally friendly horticultural production. © 2017 Society of Chemical Industry
Automatic identification of parathyroid in optical coherence tomography images
Authors: Hou Fang , Yu Yang , Liang Yanmei
Published: January 2017

Background and Objective

The identification and preservation of parathyroid is a major problem in thyroid surgery. In order to solve this problem, optical coherence tomography was involved as a real‐time, non‐invasive high‐resolution imaging technique. This study demonstrated an effective and fast method to distinguish parathyroid tissue from thyroid, lymph node, and adipose tissue in their ex vivo optical coherence tomography (OCT) images automatically.

Methods

OCT images were obtained from parathyroid, thyroid, lymph node, and adipose tissue, respectively. A classification and an identification system based on texture features analysis and back propagation artificial neural network (BP‐ANN) were established to classify the four types of tissue and identify each of the four types automatically.

Results

A total of 248 OCT images were taken from 16 patients undergoing thyroidectomy. The accuracy of classification for parathyroid, thyroid, lymph node, and adipose were 99.21, 98.43, 97.65, and 98.43%, respectively.

Conclusion

The proposed automatic identification method is capable of distinguishing among parathyroid, thyroid, lymph, and adipose automatically and effectively. Compared with the identification results of human, it has a better accuracy and reliability. For identifying parathyroid from the other entities, it has a satisfying performance. Lasers Surg. Med. 49:305–311, 2017. © 2017 Wiley Periodicals, Inc.
Effect of minor Cu addition on corrosion behavior of Sn‐Zn‐xCu touch‐up solder alloys
Authors: Peng H.‐T. , Che C.‐S. , Kong G.
Published: January 2017

The corrosion behavior of Sn‐50Zn‐xCu (x = 0, 1, 2 wt%) touch‐up solder alloys was investigated by electrochemical techniques (potentiodynamic polarization, electrochemical impedance spectroscopy, and open circuit potential) and surface characterization (scanning electron microscopy, energy dispersive X‐ray spectrometry, and X‐ray diffraction), aiming to explore the effects of the Cu addition on the corrosion resistance. The results reveal that the dendritic‐like Zn‐rich phase of Sn‐50Zn was disadvantageous to form a protective corrosion product layer and offered convenient paths for the Cl− penetration into the substrate. However, the Cu addition to Sn‐50Zn based alloys led to the refinement of microstructure and the transformation of Zn‐rich phase's morphology which could result in the formation of more compact corrosion product layer. Thus, the corrosion resistance of Sn‐Zn‐Cu alloys was improved. The corrosion mechanism is also discussed.
Galerkin finite element method for generalized Forchheimer equation of slightly compressible fluids in porous media
Authors: Kieu Thinh
Published: January 2017

We consider the generalized Forchheimer flows for slightly compressible fluids. Using Muskat's and Ward's general form of Forchheimer equations, we describe the fluid dynamics by a nonlinear degenerate parabolic equation for the density. We study Galerkin finite elements method for the initial boundary value problem. The existence and uniqueness of the approximation are proved. A prior estimates for the solutions in
, time derivative in
and gradient in
, with a∈(0,1) are established. Error estimates for the density variable are derived in several norms for both continuous and discrete time procedures. Numerical experiments using backward Euler scheme confirm the theoretical analysis regarding convergence rates. Copyright © 2017 John Wiley & Sons, Ltd.
Lifelong intake of flaxseed or menhaden oil to provide varying n‐6 to n‐3 PUFA ratios modulate bone microarchitecture during growth, but not after OVX in Sprague–Dawley rats
Authors: Longo Amanda B. , Sullivan Philip J. , Peters Sandra J. , LeBlanc Paul J. , Wohl Gregory R. , Ward Wendy E.
Published: January 2017

Scope

Skeletal health is a lifelong process impacted by environmental factors, including nutrient intake. The n‐3 source and PUFA ratio affect bone health in growing rats, or following ovariectomy (OVX), but no study has investigated the longitudinal effect of PUFA‐supplementation throughout these periods of bone development.

Methods and results

One‐month‐old, Sprague–Dawley rats (n = 98) were randomized to receive one of four diets from 1 through 6 months of age. Diets were modified from AIN‐93G to contain a varying amount and source of n‐3 (flaxseed versus menhaden oil) to provide an n‐6 to n‐3 ratio of 10:1 or 5:1. At 3 (prior to SHAM or OVX) and 6 months of age, bone microarchitecture of the tibia was quantified using in vivo micro‐computed tomography (SkyScan 1176, Bruker microCT). Providing 5:1 (flaxseed) resulted in lower trabecular thickness and medullary area and greater cortical area fraction during growth compared to diets with a 10:1 PUFA ratio, but many of these differences were not apparent following OVX.

Conclusion

PUFA‐supplementation at levels attainable in human diet modulates some bone structure outcomes during periods of growth, but is not an adequate strategy for the prevention of OVX‐induced bone loss in rats
Weighted averaging in spectroscopic studies improves statistical power
Authors: Miller Jack J. , Cochlin Lowri , Clarke Kieran , Tyler Damian J.
Published: January 2017

Purpose

In vivo MRS is often characterized by a spectral signal‐to‐noise ratio (SNR) that varies highly between experiments. A common design for spectroscopic studies is to compare the ratio of two spectral peak amplitudes between groups, e.g. individual PCr/γ‐ATP ratios in31P‐MRS. The uncertainty on this ratio is often neglected. We wished to explore this assumption.

Theory

The canonical theory for the propagation of uncertainty on the ratio of two spectral peaks and its incorporation in the Frequentist hypothesis testing framework by weighted averaging is presented.

Methods

Two retrospective re‐analyses of studies comparing spectral peak ratios and one prospective simulation were performed using both the weighted and unweighted methods.

Results

It was found that propagating uncertainty correctly improved statistical power in all cases considered, which could be used to reduce the number of subjects required to perform an MR study.

Conclusion

The variability of in vivo spectroscopy data is often accounted for by requiring it to meet an SNR threshold. A theoretically sound propagation of the variable uncertainty caused by quantifying spectra of differing SNR is therefore likely to improve the power of in vivo spectroscopy studies. Magn Reson Med 78:2082–2094, 2017. © 2017 The Authors Magnetic Resonance in Medicine published by Wiley Periodicals, Inc. on behalf of International Society for Magnetic Resonance in Medicine. This is an open access article under the terms of theCreative Commons AttributionLicense, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
Consistent and stable meshfree Galerkin methods using the virtual element decomposition
Authors: Ortiz‐Bernardin A. , Russo A. , Sukumar N.
Published: January 2017

Over the past two decades, meshfree methods have undergone significant development as a numerical tool to solve partial differential equations (PDEs). In contrast to finite elements, the basis functions in meshfree methods are smooth (nonpolynomial functions), and they do not rely on an underlying mesh structure for their construction. These features render meshfree methods to be particularly appealing for higher‐order PDEs and for large deformation simulations of solid continua. However, a deficiency that still persists in meshfree Galerkin methods is the inaccuracies in numerical integration, which affects the consistency and stability of the method. Several previous contributions have tackled the issue of integration errors with an eye on consistency, but without explicitly ensuring stability. In this paper, we draw on the recently proposed virtual element method, to present a formulation that guarantees both the consistency and stability of the approximate bilinear form. We adopt maximum‐entropy meshfree basis functions, but other meshfree basis functions can also be used within this framework. Numerical results for several two‐dimensional and three‐dimensional elliptic (Poisson and linear elastostatic) boundary‐value problems that demonstrate the effectiveness of the proposed formulation are presented. Copyright © 2017 John Wiley & Sons, Ltd.