bluuebunny/crossref_metadata_2025 huggingface dataset:
Electrochemical and Chemical Instability of Vanadium Nitride in the Synthesis of Ammonia Directly from Nitrogen
Authors: Manjunatha Revanasiddappa , Karajić Aleksandar , Teller Hanan , Nicoara Katherina , Schechter Alex
Published: October 2019

Recently, vanadium nitride (VN) was proposed as an active catalyst for a challenging electrochemical nitrogen reduction reaction (NRR) to ammonia. In this study, the stability of vanadium‐nitride in electrolyte solutions of different pH values was studied under selected cathodic potentials. Intensive leaching of vanadium ions and nitrogen constituents into the bulk of the electrolyte solution was confirmed from ICP‐OES and UV‐Vis results.
Ni(OH)2 Nanosheet Electrocatalyst toward Alkaline Urea Electrolysis for Energy‐Saving Acidic Hydrogen Production
Authors: Chen Jingting , Ci Suqin , Wang Genxiang , Senthilkumar Nangan , Zhang Mengtian , Xu Qiuhua , Wen Zhenhai
Published: October 2019

It is highly attractive to develop efficient water electrolysis route to implement hydrogen generation in a low‐cost way, which while requires excess energy to surmount the activation barriers majorly limited by oxygen evolution reaction at anode side. Herein, we report an acid‐alkali asymmetric‐electrolyte electrolyzer (AAAE) that can achieve substantial energy saving for electrolysis hydrogen generation, thanks to the assistance of electrochemical neutralization energy (ENE) and urea oxidation reaction (UOR). To this end, free‐standing Ni(OH)2 nanosheets on carbon cloth (Ni(OH)2−NSs/CC) is fabricated as catalytic anode for alkaline UOR, which manifests impressively high catalytic activity with delivering 10 mA cm−2 at 1.32 V and long‐term durability. The as‐developed AAAE only requires an applied voltage of 0.66 V to release the electrolysis current of 10 mA cm−2, yielding the H2 Faraday efficiency close to 100 % along with H2 production rate of 183.8 μmol h−1.
Synergism of Interface and Electronic Effects: Bifunctional N‐Doped Ni3S2/N‐Doped MoS2 Hetero‐Nanowires for Efficient Electrocatalytic Overall Water Splitting
Authors: Xu You , Chai Xingjie , Ren Tianlun , Yu Hongjie , Yin Shuli , Wang Ziqiang , Li Xiaonian , Wang Liang , Wang Hongjing
Published: October 2019

The realization of water electrolysis on the basis of highly active, cost‐effective electrocatalysts is significant yet challenging for achieving sustainable hydrogen production from water. Herein, N‐doped Ni3S2/N‐doped MoS2 1D hetero‐nanowires supported by Ni foam (N‐Ni3S2/N‐MoS2/NF) are readily synthesized through a chemical transformation strategy by using NiMoO4 nanowire array growth on Ni foam (NiMoO4/NF) as the starting material. With the in situ generation of Ni3S2/MoS2 heterointerfaces within nanowires and the incorporation of N− anions, an extraordinary hydrophilic nature with abundant, well‐exposed active sites and optimal reaction dynamics for both oxidation and reduction of water are obtained. Attributed to these properties, as‐converted N‐Ni3S2/N‐MoS2/NF exhibits highly efficient electrocatalytic activities for both hydrogen and oxygen evolution reactions under alkaline conditions. The superior bifunctional properties of N‐Ni3S2/N‐MoS2/NF enable it to effectively catalyze the overall water‐splitting reaction.
Multi‐C−C/C−N‐Coupled Light‐Emitting Aliphatic Terpolymers: N−H‐Functionalized Fluorophore Monomers and High‐Performance Applications
Authors: Mahapatra Manas , Dutta Arnab , Roy Joy Sankar Deb , Das Ujjal , Banerjee Snehasis , Dey Sanjit , Chattopadhyay Pijush Kanti , Maiti Dilip K. , Singha Nayan Ranjan
Published: October 2019

To circumvent costly fluorescent labeling, five nonconventional, multifunctional, intrinsically fluorescent aliphatic terpolymers (1–5) have been synthesized by C−C/C−N‐coupled, solution polymerization of two non‐emissive monomers with protrusions of fluorophore monomers generated in situ. These scalable terpolymers were suitable for sensing and high‐performance exclusion of CuII, logic function, and bioimaging. The structures of the terpolymers, in situ attachment of fluorescent monomers, aggregation‐induced enhanced emission, bioimaging ability, and super adsorption were investigated by 1H and 13C NMR, EPR, FTIR, X‐ray photoelectron, UV/Vis, and atomic absorption spectroscopy, thermogravimetric analysis, high‐resolution transmission electron microscopy, dynamic light scattering, solid‐state fluorescence, fluorescence imaging, and fluorescence lifetime measurements, as well as by isotherm, kinetics, and thermodynamic studies. The geometries and electronic structures of the fluorophores and the absorption and emission properties of the terpolymers were examined by DFT, time‐dependent DFT, and natural transition orbital analyses. For 1, 2, and 5, the limits of detection were determined to be 1.03×10−7, 1.65×10−7, and 1.77×10−7 m, respectively, and the maximum adsorption capacities are 1575.21, 1433.70, and 1472.21 mg g−1, respectively.
Halogen versus Hydrogen Bonding in Binary Cocrystals: Novel Conformation a Coformer with [2+2] Photoreactivity of Criss‐Crossed C=C Bonds
Authors: Quentin Jay , MacGillivray Leonard R.
Published: October 2019

A series of cocrystals involving the hydrogen‐ and halogen‐bond donor coformers catechol (cat) and 1,2‐diiodotetrafluorobenzene (1,2‐di‐I‐tFb), respectively, is reported. Each coformer forms a cocrystal with each of the three symmetric bipyridines trans‐1,2‐bis(n‐pyridyl)ethylene (n,n′‐bpe, where: n=n′=2, 3, 4). Four novel cocrystals (cat) ⋅ (3,3′‐bpe), 2(1,2‐di‐I‐tFb) ⋅ (2,2′‐bpe), 2(1,2‐di‐I‐tFb) ⋅ (3,3′‐bpe), and (1,2‐di‐I‐tFb) ⋅ (4,4′‐bpe) comprise components that assemble by either O−H⋅⋅⋅N hydrogen bonds (cat) or N⋅⋅⋅I halogen bonds (1,2‐di‐I‐tFb). In (cat) ⋅ (3,3′‐bpe), cat acts as a template to support an intermolecular [2+2] photocycloaddition of 3,3′‐bpe. The reactivity occurs via a one‐dimensional (1D) hydrogen‐bonded tape with stacked and criss‐crossed olefins that react stereoselectively and quantitatively to form rctt‐tetrakis(3‐pyridyl)cyclobutane (3,3′‐tpcb). The reactivity of the criss‐crossed olefins is facilitated by a hitherto not reported cis‐gauche conformation adopted by cat. The stereochemistry of 3,3′‐tpcb is confirmed in the cocrystal 2(cat) ⋅ (3,3′‐tpcb).
Short‐term geomorphological and riparian vegetation responses to a 40‐year flood on a braided, dryland river
Authors: González Eduardo , Shafroth Patrick B. , Lee Steven R. , Leverich Glen T. , Real De Asua Rafael , Sherry Rebecca A. , Ostoja Steven M. , Orr Bruce K.
Published: October 2019

In December 2010, a 40‐year flood occurred in the lower Virgin River (SE Nevada, southwestern United States), a braided river segment with riparian vegetation largely dominated by invasive shrubs in the genus Tamarix. We assessed geomorphological and vegetation responses to this large magnitude disturbance event by comparing pre‐ and post‐flood remote sensing and field survey data in four river reaches. Analyses of orthophotos and light detection and ranging‐derived topography showed that both the active channel area and channel width increased between 80% and 258%, representing an increase from 13% to 30% of the total river corridor area. Erosion predominated in the outer bends of the enlarged channel and deposition in the pre‐flood channel, causing local avulsions of the low‐flow channel. Field‐based topographic data recorded before and after the flood in 385 plots also showed that deposition occurred in parts of the floodplain that were not eroded. Two thirds of woody vegetation cover (mainly dominated by Tamarix, with some native shrub Pluchea sericea) was lost in areas that eroded (~20% of the river corridor). In the remaining ~80% of stable river corridor (aggrading or no change in elevation) Tamarix remained dominant. Following erosion, but also where sediment deposition predominated under the Tamarix canopy, the most common colonizing vegetation in the understory was comprised of annual plants, especially Salsola tragus. Our study supported previous studies describing large floods in braided rivers; we documented the first phase of a cycle of channel widening and increase in vegetation heterogeneity that is commonly followed by narrowing and vegetation homogenization.
Macroclimate and local hydrological regime as drivers of fen vegetation patterns in Tierra del Fuego (Argentina)
Authors: Pérez‐Haase Aaron , Iturraspe Rodolfo , Ninot Josep M.
Published: October 2019

In southern South America, a sharp macroclimatic gradient is found, triggered by the Pacific oceanic influence through the Andes. Mires are substantial landscape units along the gradient, where they play varying roles through the area and include varying plant communities. In this study, we analysed the relationship between vegetation and main abiotic factors in the minerotrophic mires (fens) at two different scales.

We chose three fens in Isla Grande from Cordillera and Magellanic Steppe zones and their ecotone. There we characterized the distinct habitats by means of monitoring the water table fluctuations, the peat and the groundwater chemistry, and the vascular plant species composition.

The main floristic patterns were revealed by means of classification and ordination of 75 vegetation plots. Thus, we classified the relevés through multivariate analyses into six plant community types, two of which found in each fen. Behind the floristic distinctiveness of each site and each community type, structural vegetation descriptors such as species richness were similar. Overall, water table variables and groundwater chemistry showed the most important environmental differences between fens.

Our data point that the main environmental force driving vegetation patterns was the macroclimatic gradient, which shapes the regional floristic pools. This gradient would be also responsible for modifying the local conditions of the fen habitats, mostly in the form of broadening the hydrological conditions within the fens of the Steppe. At each fen, the hydrological regime is the main factor in the distribution of vascular plants, particularly through the varying water table depths.
Cobaloxime‐Catalyzed Hydrogen Evolution in Photoredox‐Facilitated Small‐Molecule Functionalization
Authors: Cartwright Kaitie C. , Davies Alex M. , Tunge Jon A.
Published: October 2019

The development of efficient, mild, economical, and low‐waste processes is a cornerstone of sustainable chemistry. One such synthetic strategy that exemplifies these characteristics is the use of catalytic dehydrogenation in small‐molecule functionalization. This has been achieved in recent history through the use of photoredox catalysis in conjunction with cobaloximes, a class of catalysts that are capable of proton reduction. This has allowed for a variety of bond formations to be achieved with few to no stoichiometric additives while often producing hydrogen gas as the sole stoichiometric by‐product. Herein, select advancements made in this area of sustainable chemistry and catalysis are detailed and the mechanistic insights this body of work has provided thus far are evaluated. As such, this review aims to aid in the further development and study of synthetic strategies involving photoredox‐promoted hydrogen evolution.
One‐Pot Synthesis of Symmetrical Tertiary and Secondary Amines from Carbonyl Compounds, Ammonium Carbonate and Carbon Monoxide as a Reductant
Authors: Muratov Karim , Afanasyev Oleg I. , Kuchuk Ekaterina , Runikhina Sofiya , Chusov Denis
Published: October 2019

Rh‐catalyzed one‐step synthesis of tertiary and secondary amines from aldehydes and ketones, ammonium carbonate serving as nitrogen source, and carbon monoxide as a reducing agent has been developed. Aliphatic and aromatic aldehydes lead to the corresponding tertiary symmetrical amines in 69–83 % yields. Aromatic and aliphatic ketones lead to the corresponding secondary symmetrical amines which were obtained in 62–79 % yields.
Pd‐Catalyzed Allylation of Imines to Access α‐CF3‐Substituted α‐Amino Acid Derivatives
Authors: Winter Michael , Kim Hyunwoo , Waser Mario
Published: October 2019

We herein report a high yielding protocol for the direct α‐allylation of easily accessible trifluoropyruvate‐derived imines using Pd‐catalysis. The reaction gives access to a variety of different α‐allylated‐α‐CF3‐amino acids in a straightforward manner, starting from commercially available trifluoropyruvate. We also provide a proof‐of‐concept for an enantioselective protocol (up to er = 75:25) by using chiral phosphane ligands.
Recent Advances in Green Synthesis of Functionalized Phenols from Aromatic Boronic Compounds
Authors: Hao Leiduan , Ding Guodong , Deming Derek A. , Zhang Qiang
Published: October 2019

Phenol and its derivatives are fundamental building blocks in organic synthesis and materials science. Over the past decades, tremendous attention has been paid to construct functionalized phenols, and various methods have been developed. Owing to the high efficiency and mild reaction conditions, synthesis of phenols from the hydroxylation of aryl boronic compounds has been emerging as a promising approach. In this review, we summarize the progress using aryl boronic compounds as starting reagents to synthesize phenol derivatives in the last ten years. Different reaction systems, including thermal catalytic (homogeneous and heterogeneous catalysis), photocatalytic and electrocatalytic systems, as well as oxidant involved catalyst‐free systems, will be discussed comprehensively. In the last part of the review, we will provide an outlook regarding the current challenges and future perspectives for the preparation of functional phenols from aryl boronic compounds.
Enzymatic Synthesis of 2‐Deoxyribose 1‐Phosphate and Ribose 1 Phosphate and Subsequent Preparation of Nucleosides
Authors: Kulikova Irina V. , Drenichev Mikhail S. , Solyev Pavel N. , Alexeev Cyril S. , Mikhailov Sergey N.
Published: October 2019

α‐Ribose‐1‐phosphate (Rib‐p) and 2‐deoxy‐α‐ribose‐1‐phosphate (dRib‐p) are key intermediates in nucleoside metabolism and are important starting compounds for the enzymatic synthesis of various modified nucleosides. To date, chemical and enzymatic methods allowed the preparation of these compounds in rather low yields (11–37 %). This prevents their widespread use for the enzymatic synthesis of biologically active and practically important nucleosides. Here we propose to use 7‐methyl‐2′‐deoxyguanosine (7‐Me‐dGuo) and 7‐methylguanosine (7‐Me‐Guo) for the preparation of dRib‐p and Rib‐p. In this paper, we present the effective preparation of Rib‐p and dRib‐p starting from readily prepared 7‐methylguanosine derivatives via their irreversible enzymatic phosphorolysis in the presence of purine nucleoside phosphorylase. Rib‐p and dRib‐P are obtained in nearly quantitative yields (HPLC analysis) and 74–96 % yields after their isolation and purification, which is much higher than previously reported.
Comparative Assessment of the Sensitivity of Fish Early-Life Stage, Daphnia, and Algae Tests to the Chronic Ecotoxicity of Xenobiotics: Perspectives for Alternatives to Animal Testing
Authors: Teixidó Elisabet , Leuthold David , de Crozé Noémie , Léonard Marc , Scholz Stefan
Published: October 2019

No-observed-effect concentrations (NOECs) are used in environmental hazard classification and labeling of chemicals and their environmental risk assessment. They are typically obtained using standard tests such as the fish early-life stage (FELS) toxicity test, the chronic Daphnia reproduction test, and the algae growth inhibition test. Given the demand to replace and reduce animal tests, we explored the impact of the FELS toxicity test on the determination of effect concentrations by comparing the FELS toxicity test and the Daphnia and algae acute or chronic toxicity tests. Lowest-observed-effect concentrations (LOECs) were used instead of NOECs for better comparison with median lethal or effect concentration data. A database of FELS toxicity data for 223 compounds was established. Corresponding Daphnia and algae toxicity tests were identified using established databases (US Environmental Protection Agency ECOTOX, Organisation for Economic Co-operation and Development QSAR Toolbox, eChemPortal, EnviroTox, and OpenFoodTox). Approximately 9.5% of the investigated compounds showed a 10-fold higher sensitivity with the FELS toxicity test in comparison with the lowest effect concentrations obtained with any of the other tests. Some of these compounds have been known or considered as endocrine disrupting, or are other non-narcotic chemicals, indicating that the higher sensitivity in the FELS toxicity test is related to a specific mechanism of action. Targeting these mechanisms by alternative test systems or endpoints, using fish embryos for instance, may allow reduction or replacement of the FELS toxicity test or may allow us to prioritize compounds for conduction of the FELS toxicity test. Environ Toxicol Chem 2019;39:30–41. © 2019 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals, Inc. on behalf of SETAC.
Key aroma compounds in Chinese fried food of youtiao
Authors: Du Wenbin , Zhao Mengyao , Zhen Dawei , Tan Jia , Wang Tianze , Xie Jianchun
Published: October 2019

Key aroma compounds in Chinese popular fried food of youtiao were characterized by solvent assisted flavor evaporation combined with gas chromatography‐mass spectrometry (GC‐MS) and aroma extract dilution analysis of gas chromatography‐olfactometry (AEDA/GC‐O), quantitation, and aroma recombination and omission. Four samples of youtiao fried with sunflower oil, soybean oil, rapeseed oil, and palm oil, respectively, differing in fatty acid composition, were selected to be investigated. A total of thirty‐five odorants were identified, among which twenty‐two odorants were quantitated by aid of authentic chemicals and with correction of recovery coefficients. Differences in odorants composition and aroma profile were observed among the four samples of youtiao fried with different oils. However, it was demonstrated in common thirteen compounds; that is, 3‐hydroxy‐2‐butanone, 3‐methylbutanal, furfural, 3‐(methylthio)propanal, 2‐furfurylthiol, phenylacetaldehyde, 2,5‐dimethyl‐4‐hydroxy‐3(2H)‐furanone, 2‐ethyl‐3,5‐dimethylpyrazine, 3‐ethyl‐2,5‐dimethylpyrazine, (E,E)‐2,4‐decadienal, 1‐octen‐3‐ol, (E,Z)‐2,6‐nonadienal, and (E)‐2‐nonenal contributed significantly to youtiao aroma. The work can provide some guidance to maintain the preferred youtiao flavor when modifying its preparation technology for safety concerns.
qFIBS: An Automated Technique for Quantitative Evaluation of Fibrosis, Inflammation, Ballooning, and Steatosis in Patients With Nonalcoholic Steatohepatitis
Authors: Liu Feng , Goh George Boon‐Bee , Tiniakos Dina , Wee Aileen , Leow Wei‐Qiang , Zhao Jing‐Min , Rao Hui‐Ying , Wang Xiao‐Xiao , Wang Qin , Wan Wei‐Keat , Lim Kiat‐Hon , Romero‐Gomez Manuel , Petta Salvatore , Bugianesi Elisabetta , Tan Chee‐Kiat , Harrison Stephen A. , Anstee Quentin M. , Chang Pik‐Eu Jason , Wei Lai
Published: October 2019

Background and Aims

Nonalcoholic steatohepatitis (NASH) is a common cause of chronic liver disease. Clinical trials use the NASH Clinical Research Network (CRN) system for semiquantitative histological assessment of disease severity. Interobserver variability may hamper histological assessment, and diagnostic consensus is not always achieved. We evaluate a second harmonic generation/two‐photon excitation fluorescence (SHG/TPEF) imaging‐based tool to provide an automated quantitative assessment of histological features pertinent to NASH.

Approach and Results

Images were acquired by SHG/TPEF from 219 nonalcoholic fatty liver disease (NAFLD)/NASH liver biopsy samples from seven centers in Asia and Europe. These were used to develop and validate qFIBS, a computational algorithm that quantifies key histological features of NASH. qFIBS was developed based on in silico analysis of selected signature parameters for four cardinal histopathological features, that is, fibrosis (qFibrosis), inflammation (qInflammation), hepatocyte ballooning (qBallooning), and steatosis (qSteatosis), treating each as a continuous rather than categorical variable. Automated qFIBS analysis outputs showed strong correlation with each respective component of the NASH CRN scoring (P < 0.001; qFibrosis [r = 0.776], qInflammation [r = 0.557], qBallooning [r = 0.533], and qSteatosis [r = 0.802]) and high area under the receiver operating characteristic curve values (qFibrosis [0.870‐0.951; 95% confidence interval {CI}, 0.787‐1.000; P < 0.001], qInflammation [0.820‐0.838; 95% CI, 0.726‐0.933; P < 0.001), qBallooning [0.813‐0.844; 95% CI, 0.708‐0.957; P < 0.001], and qSteatosis [0.939‐0.986; 95% CI, 0.867‐1.000; P < 0.001]) and was able to distinguish differing grades/stages of histological disease. Performance of qFIBS was best when assessing degree of steatosis and fibrosis, but performed less well when distinguishing severe inflammation and higher ballooning grades.

Conclusions

qFIBS is an automated tool that accurately quantifies the critical components of NASH histological assessment. It offers a tool that could potentially aid reproducibility and standardization of liver biopsy assessments required for NASH therapeutic clinical trials.
Transient electromagnetohydrodynamic radiative squeezing flow between two parallel Riga plates using a spectral local linearization approach
Authors: Thumma Thirupathi , Magagula Vusi Mpendulo
Published: October 2019

This article addresses transient electromagnetohydrodynamic radiative squeezing flow due to convectively heated electromagnetic actuator. The transport analysis of heat and mass is explored considering the heat generation/absorption and destructive species homogeneous reaction. Suitable transformations are applied on the mathematical model developed to convert governing partial differential equations to ordinary differential equations (ODEs). Spectral local linearization method (SLLM) is employed on the resultant nonlinear coupled ODEs to compute the numerical results. Influence of sundry physical quantities on heat mass transfer of squeezing flow characteristics are determined using graphs and tabular results. SLLM results exhibit that momentum and temperature improved with rise in squeezing and heat source parameters correspondingly. Momentum enhances at lower plate and detracts with rise in modified Hartmann number. For improved heat source parameter, the rate of heat transfer diminishes and is more significant for higher Prandtl number values. This investigation has relevance in disk style magnetic clutches, rolling elements, food processing, bearings, squeezing film pressure sensors, and flow rheostats.
The Croatian version of the Emotion Regulation Questionnaire: Links with higher‐ and lower‐level personality traits and mood
Authors: Gračanin Asmir , Kardum Igor , Gross James J.
Published: October 2019

The Emotion Regulation Questionnaire (ERQ) measures habitual use of two emotion regulation strategies, cognitive reappraisal and expressive suppression. The present study tested the psychometric properties and validity of a newly developed Croatian adaptation of the ERQ. In a sample of 347 participants, we first sought to confirm the ERQ's original factor structure. Next, we tested its convergent, divergent and incremental validity. In the first subsample (N = 140), we linked the ERQ with a measure of the Five‐Factor Model dimensions and their facets (Revised NEO Personality Inventory). In the second subsample (N = 207), we tested its ability to predict personality dimensions assessed by a different measure (Big Five Inventory) as well as the traits of positive and negative affect, including its incremental validity in predicting the latter. The results corroborated earlier findings, showing that the Croatian ERQ has equivalent psychometrics and predictive validity as ERQs in other languages. Crucially, the observed links between the ERQ and the facets of the Five‐Factor Model dimensions enrich our understanding of the personality mechanisms behind the employment of these emotion regulation strategies.
The therapeutic effects of edaravone on collagen‐induced arthritis in rats
Authors: Zhang Xiaohan , Ye Guihong , Wu Zhengyuan , Zou Kai , He Xiaohong , Xu Xiaoqing , Yao Jun , Wei Qingjun
Published: October 2019

Current research suggests that synovial phagocytic cells remove excessive amounts of free oxygen radicals (reactive oxygen species [ROS]), thereby preventing damage to synovial tissues. Moreover, ROS may affect the expression of growth arrest and DNA damage inducible α (GADD45A), thus further promoting the activation of synovial fibroblasts. Male adult rats were assessed for progression of collagen‐induced arthritis (CIA) using a macroscopic arthritis scoring system of the hind paws and by measuring the changes in the rat's body weight, and activity level before and after diagnosis of CIA. Rats were intraperitoneally injected twice daily with edaravone at doses of 3, 6, and 9 mL/kg. Samples were taken at 2, 4, and 6 weeks, respectively. Edaravone was found to significantly reduce macroscopic arthritis and microscopic pathology scores in CIA rats. The concentration of endothelial nitric oxide synthase‐6, glutathione, and heme oxygenase‐1 in the serum of rats decreased, as was the production of ROS around the synovium and inflammatory factors. Moreover, ROS‐1 increased the expression of the nuclear factor‐κB (NF‐κB) p65 protein by altering the expression level of GADD45A, causing aggravation of tissue damage. Edaravone also significantly improved the physiological condition of CIA rats, including appetite, weight changes, and loss of fur, as well as limb mobility. We believe that edaravone acts to reduce the expression of NF‐ĸB p65 by clearing ROS, which causes reduced expression of GADD45A, and subsequently reduces the level of apoptosis and inflammatory response proteins, thereby reducing the symptoms of CIA. We, therefore, propose that edaravone is an effective option for clinical treatment of rheumatic arthritis.
Androgen receptor‐related micro RNAs in prostate cancer and their role in antiandrogen drug resistance
Authors: Rezaei Samaneh , Mahjoubin Tehran Maryam , Sahebkar Amirhossein , Jalili Amin , Aghaee‐Bakhtiari Seyed Hamid
Published: October 2019

Prostate cancer (PCa) is one of the most common cancers and the fifth most common reason for cancer deaths in the males. Surgical castration combined with androgen deprivation therapy, antiandrogens, and androgen synthesis inhibitors is the current therapeutic modalities for PCa. These strategies inhibit androgen synthesis or reduce its binding to the androgen receptor (AR) but the development of resistance to these therapies and transient responsiveness are challenging issues in the treatment of this cancer. Deregulation of ARs has a vital role in the initiation and progression of PCa. Also, recent findings imply that micro RNAs (miRNAs) are involved in the evolution of PCa and mediate drug resistance in different cancers. Hence, discovering and targeting miRNAs might represent a novel therapeutic approach. This review paid particular attention to the AR pathway and existing information on the possible roles of miRNAs associated with AR pathway and drug resistance to two second‐generation antiandrogens, that is, enzalutamide and abiraterone.
Descriptive epidemiology of rubella disease and associated virus strains in Uganda
Authors: Tushabe Phionah , Bwogi Josephine , Abernathy Emily , Birungi Molly , Eliku James P. , Seguya Ronald , Bukenya Henry , Namuwulya Prossy , Kakooza Proscovia , Suppiah Suganthi , Kabaliisa Theopista , Tibanagwa Mayi , Ampaire Immaculate , Kisakye Annet , Bakainaga Andrew , Byabamazima Charles R. , Icenogle Joseph P. , Bakamutumaho Barnabas
Published: October 2019

Rubella virus causes a mild disease; however, infection during the first trimester of pregnancy may lead to congenital rubella syndrome (CRS) in over 80% of affected pregnancies. Vaccination is recommended and has been shown to effectively reduce CRS incidence. Uganda plans to introduce routine rubella vaccination in 2019. The World Health Organization recommends assessing the disease burden and obtaining the baseline molecular virological data before vaccine introduction. Sera collected during case‐based measles surveillance from January 2005 to July 2018 were tested for rubella immunoglobulin M (IgM) antibodies. Sera from confirmed rubella outbreaks from January 2012 to August 2017 were screened using real‐time reverse‐transcription polymerase chain reaction (RT‐PCR); for positive samples, a region within the E1 glycoprotein coding region was amplified and sequenced. Of the 23 196 suspected measles cases serologically tested in parallel for measles and rubella, 5334 (23%) were rubella IgM‐positive of which 2710 (50.8%) cases were females with 2609 (96.3%) below 15 years of age. Rubella IgM‐positive cases were distributed throughout the country and the highest number was detected in April, August, and November. Eighteen (18%) of the 100 sera screened were real‐time RT‐PCR‐positive of which eight (44.4%) were successfully sequenced and genotypes 1G and 2B were identified. This study reports on the seroprevalence and molecular epidemiology of rubella. Increased knowledge of former and current rubella viruses circulating in Uganda will enhance efforts to monitor the impact of vaccination as Uganda moves toward control and elimination of rubella and CRS.
From efficiency‐driven to low‐carbon operations management: Implications for labor productivity
Authors: Sartal Antonio , Rodríguez Miguel , Vázquez Xosé H.
Published: October 2019

We use 9 years of dynamic panel data (4,090 observations) to explore how decarbonization moderates the association between a selection of efficiency‐driven shop‐floor initiatives and labor productivity. The results are mixed: the relationship between materials efficiency and labor productivity is positively moderated by decarbonization, but the relationship between increases in inventory turnover or the average firm wage as a multiple of average sector wages are negatively moderated by decarbonization. Overall, we find that decarbonization leads to an average drop in sales of 1.8% per worker. This evidence therefore suggests that climate change goals impacting industrial firms might be difficult to accomplish if managers expect to achieve decarbonization for free with current organizational best practices.
In vivo safety assessment of Lactobacillus fermentum strains, evaluation of their cholesterol‐lowering ability and intestinal microbial modulation
Authors: Thumu Surya Chandra Rao , Halami Prakash M
Published: October 2019

BACKGROUND

Despite the growing importance of probiotics apparent health benefits, an impediment to the use of new probiotic cultures is their safety. Hence there is a need to strictly examine the biosafety as well as health benefits of probiotics in in vivo model systems.

RESULTS

In this study, two lactic acid bacterial (LAB) cultures Lactobacillus fermentum NCMR 2826 and FIX proven for their in vitro probiotic properties were investigated for their in vivo safety in Wistar rats. An acute toxicity study (14 days) with a high dose of biomass (1016 colony‐forming units (CFU) mL−1) followed by a subchronic test for 13 weeks with oral feeding of the probiotic cultures in three different doses (107, 108 and 1010 CFU mL−1) on a daily basis revealed the safety of the L. fermentum cultures. The probiotic feeding had no toxic effects on survival, body weight and food consumption with any of the dosages used throughout the treatment period. No statistically significant changes in relative organ weights and serum biochemical and hematological indices were found between the control and the probiotic fed animals. In addition to the safety attributes, the L. fermentum culture fed rats showed reduced serum cholesterol levels, macrovesicular steatosis and hepatocyte ballooning compared with control animals. Further, quantification of intestinal microbiota using real‐time polymerase chain reaction (PCR) analysis from animal feces indicated a significant increase and stability of Lactobacillus and Bifidobacterium counts but a decrease of Escherichia coli numbers.

CONCLUSION

This study of safety and beneficial features highlights the use of the two native L. fermentum isolates as potential probiotic food supplements. © 2019 Society of Chemical Industry
Sound waves affect the total flavonoid contents in Medicago sativa, Brassica oleracea and Raphanus sativus sprouts
Authors: Kim Joo Yeol , Kang Ye Eun , Lee Soo In , Kim Jin A , Muthusamy Muthusamy , Jeong Mi‐Jeong
Published: October 2019

BACKGROUND

Sound waves are emerging as a potential biophysical alternative to traditional methods for enhancing plant growth and phytochemical contents. However, little information is available on the improvement of the concentration of functional metabolites like flavonoids in sprouts using sound waves. In this study, different frequencies of sound waves with short and long exposure times were applied to three important varieties to improve flavonoid content. The aim of this study was to investigate the effect of sound waves on flavonoid content on the basis of biochemical and molecular characteristics.

RESULTS

We examined the effects of various sound wave treatments (250 Hz to 1.5 kHz) on flavonoid production in alfalfa (Medicago sativa), broccoli (Brassica oleracea) and red young radish (Raphanus sativus). The results showed that sound wave treatments differentially altered the total flavonoid contents depending upon the growth stages, species and frequency of and exposure time to sound waves. Sound wave treatments of alfalfa (250 Hz), broccoli sprouts (800 Hz) and red young radish sprouts (1 kHz) increased the total flavonoid content by 200%, 35% and 85%, respectively, in comparison with untreated control. Molecular analysis showed that sound waves induce the expression of genes of the flavonoid biosynthesis pathway, which positively corresponds to the flavonoid content. Moreover, the sound wave treatment significantly improves the antioxidant efficiency of sprouts.

CONCLUSIONS

The significant improvement of flavonoid content in sprouts with sound waves makes their use a potential and promising technology for the production of agriculture‐based functional foods. © 2019 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Determination of the Binding Situation of Pyridine in Xylan Sulfates by Means of Detailed NMR Studies
Authors: Gabriel Lars , Günther Wolfgang , Pielenz Friederike , Heinze Thomas
Published: October 2019

Xylan sulfate is an important drug to treat interstitial cystitis. Production of the drug by sulfation of the polysaccharide with a sulfating agent like chlorosulfuric acid and pyridine–SO3 complex in pyridine may lead to products containing pyridine‐based impurities. Xylan sulfate containing nitrogen is investigated by different NMR measurements in order to clarify the binding situation of pyridine. The detailed NMR studies allow the conclusion that the pyridine‐based impurities are covalently bonded to the reducing end group. Furthermore, the NMR spectroscopic investigation indicates that the side reactions occur at shorter polymer chains only.
Comparing variational methods for the hinged Kirchhoff plate with corners
Authors: De Coster Colette , Nicaise Serge , Sweers Guido
Published: October 2019

The hinged Kirchhoff plate model contains a fourth order elliptic differential equation complemented with a zeroeth and a second order boundary condition. On domains with boundaries having corners the strong setting is not well‐defined. We here allow boundaries consisting of piecewise C2, 1‐curves connecting at corners. For such domains different variational settings will be discussed and compared. As was observed in the so‐called Saponzhyan–Babushka paradox, domains with reentrant corners need special care. In that case, a variational setting that corresponds to a second order system needs an augmented solution space in order to find a solution in the appropriate Sobolev‐type space.
A gold mine for drug discovery: Strategies to develop cyclic peptides into therapies
Authors: Jing Xiaoshu , Jin Kang
Published: October 2019

As a versatile therapeutic modality, peptides attract much attention because of their great binding affinity, low toxicity, and the capability of targeting traditionally “undruggable” protein surfaces. However, the deficiency of cell permeability and metabolic stability always limits the success of in vitro bioactive peptides as drug candidates. Peptide macrocyclization is one of the most established strategies to overcome these limitations. Over the past decades, more than 40 cyclic peptide drugs have been clinically approved, the vast majority of which are derived from natural products. The de novo discovered cyclic peptides on the basis of rational design and in vitro evolution, have also enabled the binding with targets for which nature provides no solutions. The current review summarizes different classes of cyclic peptides with diverse biological activities, and presents an overview of various approaches to develop cyclic peptide‐based drug candidates, drawing upon series of examples to illustrate each strategy.
Mitigating inherent noise in Monte Carlo dose distributions using dilated U‐Net
Authors: Javaid Umair , Souris Kevin , Dasnoy Damien , Huang Sheng , Lee John A.
Published: October 2019

Purpose

Monte Carlo (MC) algorithms offer accurate modeling of dose calculation by simulating the transport and interactions of many particles through the patient geometry. However, given their random nature, the resulting dose distributions have statistical uncertainty (noise), which prevents making reliable clinical decisions. This issue is partly addressable using a huge number of simulated particles but is computationally expensive as it results in significantly greater computation times. Therefore, there is a trade‐off between the computation time and the noise level in MC dose maps. In this work, we address the mitigation of noise inherent to MC dose distributions using dilated U‐Net — an encoder–decoder‐styled fully convolutional neural network, which allows fast and fully automated denoising of whole‐volume dose maps.

Methods

We use mean squared error (MSE) as loss function to train the model, where training is done in 2D and 2.5D settings by considering a number of adjacent slices. Our model is trained on proton therapy MC dose distributions of different tumor sites (brain, head and neck, liver, lungs, and prostate) acquired from 35 patients. We provide the network with input MC dose distributions simulated using particles while keeping particles as reference.

Results

After training, our model successfully denoises new MC dose maps. On average (averaged over five patients with different tumor sites), our model recovers of 55.99 Gy from the noisy MC input of 49.51 Gy, whereas the low noise MC (reference) offers 56.03 Gy. We observed a significant reduction in average RMSE (thresholded >10% max ref) for reference vs denoised (1.25 Gy) than reference vs input (16.96 Gy) leading to an improvement in signal‐to‐noise ratio (ISNR) by 18.06 dB. Moreover, the inference time of our model for a dose distribution is less than 10 s vs 100 min (MC simulation using particles).

Conclusions

We propose an end‐to‐end fully convolutional network that can denoise Monte Carlo dose distributions. The networks provide comparable qualitative and quantitative results as the MC dose distribution simulated with particles, offering a significant reduction in computation time.
Complexity of inventory routing problems when routing is easy
Authors: Baller Annelieke C. , van Ee Martijn , Hoogeboom Maaike , Stougie Leen
Published: October 2019

In the inventory routing problem (IRP) inventory management and route optimization are combined. The traveling salesman problem (TSP) is a special case of the IRP, hence the IRP is NP‐hard. We investigate how other aspects than routing influence the complexity of a variant of the IRP. We first study problem variants on a point and on the half‐line. The problems differ in the number of vehicles, the number of days in the planning horizon and the service times of the customers. Our main result is a polynomial time dynamic programming algorithm for the variant on the half‐line with uniform service times and a planning horizon of 2 days. Second, for nearly any problem in the class with nonfixed planning horizon, we show that the complexity is dictated by the complexity of the pinwheel scheduling problem, for which the complexity is a long‐standing open research question. Third, NP‐hardness is shown for problem variants with nonuniform servicing times. Finally, we prove strong NP‐hardness of a Euclidean variant with uniform service times and an easily computable routing cost approximation, avoiding immediate NP‐hardness via the TSP.
Symptoms among emerging adults with inflammatory bowel disease: a descriptive study
Authors: Kamp Kendra , Dudley‐Brown Sharon , Heitkemper Margaret , Wyatt Gwen , Given Barbara
Published: October 2019

Individuals with inflammatory bowel disease (IBD) are commonly diagnosed when they are between the ages of 18–29, a developmental period known as emerging adulthood. Typically, emerging adults are subsumed into the category of adults even though emerging adults have unique developmental needs. In this descriptive study of IBD in emerging adults, the aims were to (a) determine the prevalence of symptoms; (b) describe the severity of symptoms and their interference with daily activities; and (c) examine the association between individual symptom severity and presence of fatigue. Emerging adults with IBD were recruited using web‐based convenience sampling. Sixty‐one individuals met the inclusion criteria. They had a mean age of 24.7 and a disease duration of 6.4 years. The most prevalent symptoms reported were: fatigue (n = 44, 72.1%), abdominal cramps (n = 39, 63.9%), abdominal pain (n = 39, 63.9%), and diarrhea (n = 38, 62.3%). The symptom with the greatest severity and interference with daily activities was fatigue. Abdominal cramps, abdominal pain, diarrhea, passing gas, and abdominal tenderness were associated with fatigue when controlling for age, emerging adulthood, gender, time since diagnosis, and current steroid use. Among emerging adults with IBD, fatigue is the most prevalent symptom and is the symptom with the greatest severity and interference with daily activities. These results suggest a need for interventions aimed at reducing both fatigue and gastrointestinal symptoms among emerging adults with IBD.
Sequential multiple assignment randomization trial designs for nursing research
Authors: Doorenbos Ardith Z. , Haozous Emily A. , Jang Min Kyeong , Langford Dale
Published: October 2019

With mounting pressure to move toward precision health care and implementation science, nurse researchers are faced with the challenge of producing evidence that their interventions are applicable in real‐world clinical settings. Pragmatic clinical trials are critically important to generate evidence that is relevant to clinical practice. Pragmatic designs closely replicate true‐to‐life settings thereby expediting research translation and improving health outcomes. The Sequential Multiple Assignment Randomized Trial (SMART) is a valuable a pragmatic trial design that is receiving greater attention in nursing. SMART designs can be used to provide relevant clinical evidence by comparative evaluation of two or more alternative interventions. The objectives of this article are to provide: (a) A description of the main considerations and key components of SMART designs, and (b) a summary of three different nursing studies using SMART designs. Information provided by pragmatic nursing trials using SMART designs, which more closely mirror clinical practice, will facilitate evidence‐based clinical practice.
Metal Nano Networks by Potential‐Controlled In Situ Assembling of Gold/Silver Nanoparticles
Authors: Köhler J. Michael , Kluitmann Jonas , Knauer Andrea
Published: October 2019

Non‐spherical Au/Ag nanoparticles can be generated by chemical reduction of silver ions in the presence of preformed gold nanoparticles. The process of particle formation can be controlled by concentrations of ligands and reducing agent. The formation of ellipsoidal, nanorod‐ and peanut‐shaped nanoparticles as well as of more complex fractal nanoassemblies can be explained by changes in particle surface state, electrochemical potential formation and particle‐internal self‐polarization effects. It is possible to create highly fractal nanoassemblies with sizes between the mid‐nanometer and the lower micrometer range. The assemblies are marked by high optical absorption and complex nano‐networks of very high surface‐to‐volume ratios and a granular base structure.
Modification of Kraft Lignin with Dodecyl Glycidyl Ether
Authors: Alwadani Norah S. , Fatehi Pedram
Published: October 2019

Kraft lignin (KL) is extensively produced in industry but is mainly burned as fuel. To broaden its use, KL was grafted with dodecyl glycidyl ether to alter its thermal properties. The reaction of KL with dodecyl glycidyl ether (DGE) was analyzed using nuclear magnetic resonance (NMR), Fourier infrared spectroscopy (FT‐IR) and elemental analysis. Alternatively, KL was methylated to mask its phenolic hydroxy groups to investigate how phenolic hydroxy groups impact the grafting of the alkyl chain of DGE onto lignin (methylated Kraft lignin, MKL). The methylation facilitated the molecular weight enhancement and thermal stability reduction of Kraft lignin via grafting with DGE. The influence of grafting alkyl chains on the structural and thermal properties of KL and MKL was studied using thermogravimetric analysis and differential scanning calorimetry analysis. Our data suggest that, due to their high molecular weights and lower glass transition temperatures, the produced lignin derivatives may be promising feedstocks for composite production.
Let Them Eat Lunch: The Impact of Universal Free Meals on Student Performance
Authors: Schwartz Amy Ellen , Rothbart Michah W.
Published: October 2019

This paper investigates the impact of extending free school lunch to all students, regardless of income, on academic performance in New York City middle schools. Using a difference‐in‐differences design and unique longitudinal, student‐level data, we derive credibly causal estimates of the impacts of “Universal Free Meals” (UFM) on test scores in English Language Arts (ELA) and mathematics, and participation in school lunch. We find UFM increases academic performance by as much as 0.083 standard deviations in math and 0.059 in ELA for non‐poor students, with smaller, statistically significant effects of 0.032 and 0.027 standard deviations in math and ELA for poor students. Further, UFM increases participation in school lunch by roughly 11.0 percentage points for non‐poor students and 5.4 percentage points for poor students. We then investigate the academic effects of school lunch participation per se, using UFM as an instrumental variable. Results indicate that increases in school lunch participation improve academic performance for both poor and non‐poor students; an additional lunch every two weeks increases test scores by roughly 0.08 standard deviations in math and 0.07 standard deviations in ELA. Finally, we explore potential unintended consequences for student weight outcomes, finding no evidence that UFM increases the probability that students are obese or overweight. We also find no evidence of increases in average body mass index (BMI). Instead, we find some evidence that participation in school lunch improves weight outcomes for non‐poor students. Results are robust to an array of alternative specifications and assumptions about the sample.