bluuebunny/crossref_metadata_2025 huggingface dataset:
Amine‐containing olefin copolymer with CO2‐switchable oil absorption and desorption
Authors: Guo Shanshan , Lv Yangbufan , Chen Yangwei , Cai Shaojun
Published: January 2019

Global decrease in crude oil resources and frequent crude oil leaks cause the energy crisis and ecological pollution. The absorption and release of leaked crude oil through absorption materials are a necessary process for environmental protection and recycling. In this article, a CO2‐responsive olefin copolymer was obtained by copolymerization of styrene and an amine‐containing olefin monomer. The structure of resultant copolymer was characterized by FTIR; thermal properties and CO2‐responsive morphology changes were determined by DSC/TGA and SEM, respectively. Copolymers had certain absorption capacity for toluene with absorption rate up to 180.0%. The absorbed toluene could be released upon CO2 stimulation with desorption rate up to 84.6%. The CO2‐responsive copolymer could be regenerated through a simple heating process and showed stable absorption–desorption performance even after being recycled for 4 times. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47439.
Effect of ultrasonic extrusion of star styrene‐butadiene rubber on properties of carbon black‐ and silica‐filled compounds and vulcanizates
Authors: Liang Tian , Isayev Avraam I.
Published: January 2019

Extrusion of star styrene‐butadiene rubber (SBR) without and with ultrasonic treatment at amplitudes 3.5, 5, 7.5, and 10 μm was carried out. The molecular structure of untreated and treated star SBR was determined. Significant reduction of die pressure was observed during ultrasonic treatment due to the thixotropic and degradation effects. Ultrasonic treatment of star SBR at 3.5 μm created molecules of higher molecular weight via long‐chain branching without gel formation. Ultrasonic treatment of star SBR at 5 μm created a small amount of gel. At high ultrasonic amplitudes more gel was generated hindering mixing of star SBR with silica. Extruded star SBR was compounded with carbon black and precipitated silica, with and without silane. It was found that the long‐chain branching induced by ultrasonic treatment improved the rubber–filler interaction in precipitated silica without silane, as confirmed by the increase of bound rubber content. The filler–filler interaction was reduced in silica compounds without silane, as indicated by study of Payne effect. The significantly improved rubber–filler interaction and reduced filler–filler interaction led to an increase of the modulus at 100% elongation and tensile strength of SBR/silica vulcanizates. Extensive comparisons were made with earlier study on ultrasonic treatment of linear SBR. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47451.
Polymer concentration detection method based on fluorescent polymer to evaluate its retention and percolation
Authors: Kang Wanli , Gao Yongbo , Tang Xuechen , Cao Changxiao , Hu Leilei , Yang Hongbin
Published: January 2019

A new fluorescent polymer was prepared by copolymerization of acrylamide and a modified rhodamine B (RhB). Fourier transformation infrared spectrometer and nuclear magnetic resonance confirmed the successful modification of RhB and the synthesis of fluorescent polymer. The rheological and fluorescence properties were studied by fluorospectrophotometer and rotational rheometer. The adsorption retention and percolation properties were evaluated by sand pack displacement experiments. The results indicated that fluorescence intensity revealed a distinct linear relationship with polymer concentration within a certain concentration range. High temperature and strong acidic conditions could diminish fluorescence intensity whereas formation water ions exerted inconsiderable influence on it. Rheological results manifested that fluorescent polymer can be used as polymer flooding agent. The sand pack displacement results proved the feasibility of using fluorescent polymer to detect polymer concentration. By this means, polymer breakthrough time and concentration variations could be confirmed. Based on the curves of injection pressure and polymer concentration, the percolation state and retention of polymer were able to be analyzed. Significantly, this work can provide support and guidance for the practical applications of fluorescent polymer. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47468.
Feeding Biomechanics in Billfishes: Investigating the Role of the Rostrum through Finite Element Analysis
Authors: Habegger Laura , Motta Philip , Huber Daniel , Pulaski Daniel , Grosse Ian , Dumont Elizabeth
Published: January 2019

Billfishes are large pelagic fishes that have an extreme elongation of the upper jaw bones forming the rostrum. Recent kinematic and biomechanical studies show the rostrum to be associated to feeding, however, it is less clear how the wide range of morphologies present among billfish may affect their striking behavior. In this study, we aim to assess the mechanical performance of different rostrum morphologies under loads that simulate feeding and to test existing hypotheses of species‐specific feeding behaviors. We use finite element analysis (FEA)—a physics‐based method that predicts patterns of stress and strain in morphologically complex structures under specified boundary conditions—to test hypotheses on the form and mechanical performance of billfish rostra. Patterns of von Mises stress and total strain energy suggest that distinct rostral morphologies may be functionally segregated. The rounder blue marlin rostrum may be better suited for a wide range of slashing motions to disable prey, whereas the more flattened swordfish rostrum appears to be more specialized for lateral swiping during prey capture. The almost homogenous stress distribution along each rostrum implies their possible use as a predatory weapon regardless of morphological differences between species. The mechanical implications of other less commonly reported behaviors such as spearing are discussed, as well as the potential impact of hydrodynamics in shaping the evolution of the rostrum in this lineage. Anat Rec, 2019. © 2019 American Association for Anatomy.
Performance of Candidate Serum Biomarkers for Systemic Sclerosis–Associated Interstitial Lung Disease
Authors: Elhai Muriel , Hoffmann‐Vold Anna Maria , Avouac Jérôme , Pezet Sonia , Cauvet Anne , Leblond Agathe , Fretheim Håvard , Garen Torhild , Kuwana Masataka , Molberg Øyvind , Allanore Yannick
Published: January 2019

Objective

Interstitial lung disease (ILD) in systemic sclerosis (SSc) runs a highly variable course, and prediction tools are highly desired. The aim of this study was to assess the diagnostic and prognostic performance of 4 candidate serum biomarkers for SSc‐associated ILD.

Methods

Serum samples from a combined cohort of SSc patients (from Paris, France and Oslo, Norway; n = 427) were analyzed by enzyme‐linked immunosorbent assay for concentrations of lung epithelial–derived surfactant protein D (SP‐D), Krebs von den Lungen 6 glycoprotein (KL‐6), CCL18, and OX40 ligand (OX40L). Lung fibrosis was measured by high‐resolution computed tomography and pulmonary function tests. Associations of these candidate biomarkers with baseline disease involvement and prediction of disease progression over time (mean ± SD follow‐up 3.2 ± 4.4 years) were investigated.

Results

In SSc patients at baseline, serum levels of KL‐6 correlated with the forced vital capacity (FVC) (r = −0.317, P < 0.001), diffusing capacity for carbon monoxide (r = −0.335, P < 0.001), and extent of lung fibrosis (r = 0.551, P < 0.001). In multivariate analyses, serum levels of KL‐6 and SP‐D, but not CCL18 and OX40L, were associated with lung fibrosis (odds ratio [OR] 2.41, 95% confidence interval [95% CI] 1.43–4.07 [P = 0.001] and OR 3.15, 95% CI 1.81–5.48 [P < 0.001], respectively). In SSc patients with ILD at baseline, longitudinal, multivariate analyses showed that CCL18 serum levels were an independent predictor of a >10% decrease in the FVC (hazard ratio [HR] 2.90, 95% CI 1.25–6.73; P = 0.014) and de novo development of extensive disease (HR 3.71, 95% CI 1.02–13.52; P = 0.048). Matrix‐based logistic regression models for the diagnosis and prognosis of SSc‐associated ILD were constructed, and these models discriminated 3 groups of risk (mild, moderate, or high) for the diagnosis or worsening of lung fibrosis according to the serum levels of SP‐D (for diagnosis) and serum levels of CCL18 (for progression of disease).

Conclusion

These results show that SP‐D is a relevant diagnostic biomarker for SSc‐associated ILD, whereas KL‐6 could be used to assess the severity of lung fibrosis. CCL18 appears to be a potential predictive marker for progression of ILD in SSc.
Carbonyl Compounds′ Journey to Amide Bond Formation
Authors: Narendar Reddy Thatikonda , Beatriz Adilson , Jayathirtha Rao Vaidya , de Lima Dênis Pires
Published: January 2019

The formation of amide bonds is one of the most stimulating emerging areas in organic and medicinal chemistry. Amides are recognized as central building blocks in a plethora of interesting pharmaceuticals, proteins, peptides, polymers, natural products, functional materials, and biologically relevant carbocyclic or heterocyclic molecules, and they are also found in a variety of industrial fields. Therefore, a review of recent developments and challenges in the formation of amide bonds from carbonyl compounds is particularly important. Herein, we have scrutinized a range of metal‐catalyzed and metal‐free approaches for the synthesis of amides from aldehydes, ketones, and oximes. In addition, this Minireview highlights relevant mechanistic studies, as well as the potential applications of these methods in the synthesis of candidate drug molecules. We hope that the data compiled herein will encourage further progress in this notable area of chemistry research.
Control of Circularly Polarized Luminescence by Orientation of Stacked π‐Electron Systems
Authors: Kikuchi Katsuaki , Nakamura Jun , Nagata Yuuya , Tsuchida Hiromu , Kakuta Takahiro , Ogoshi Tomoki , Morisaki Yasuhiro
Published: January 2019

Planar chiral building blocks based on 4,7,12,15‐tetrasubstituted [2.2]paracyclophanes were obtained via a synthetic route involving an optical resolution step. Planar chiral enantiomers, comprising two fluorophores that were stacked to form a V‐shaped higher‐ordered structure, were synthesized from these building blocks. The V‐shaped molecules emitted intense circularly polarized luminescence (CPL). Their chiroptical properties were compared with those of X‐shaped molecules bearing the same two fluorophores stacked together. The CPL sign of the X‐shaped molecule was opposite to that of the V‐shaped molecule, which is supported by the theoretical results, indicating that the CPL sign can be controlled by the orientation of the stacked fluorophores.
Hypoxia‐Activated Prodrugs of PERK Inhibitors
Authors: Liew Lydia P. , Singleton Dean C. , Wong Way W. , Cheng Gary J. , Jamieson Stephen M. F. , Hay Michael P.
Published: January 2019

Tumour hypoxia plays an important role in tumour progression and resistance to therapy. Under hypoxia unfolded proteins accumulate in the endoplasmic reticulum (ER) and this stress is relieved through the protein kinase R‐like ER kinase (PERK) signalling arm of the unfolded protein response (UPR). Targeting the UPR through PERK kinase inhibitors provides tumour growth inhibition, but also elicits on‐mechanism normal tissue toxicity. Hypoxia presents a target for tumour‐selective drug delivery using hypoxia‐activated prodrugs. We designed and prepared hypoxia‐activated prodrugs of modified PERK inhibitors using a 2‐nitroimidazole bioreductive trigger. The new inhibitors retained PERK kinase inhibitory activity and the corresponding prodrugs were strongly deactivated. The prodrugs were able to undergo fragmentation following radiolytic reduction, or bioreduction in HCT116 cells, to release their effectors, albeit inefficiently. We examined the effects of the prodrugs on PERK signalling in hypoxic HCT116 cells. This study has identified a 2‐substituted nitroimidazole carbamate prodrug with potential to deliver PERK inhibitors in a hypoxia‐selective manner.
Impact time and angle constrained integrated guidance and control with application to salvo attack
Authors: Wang Xiang Hua , Tan Chee Pin , Cheng Li Ping
Published: January 2019

In this paper, a novel method is proposed to estimate the impact time (time taken to hit the target) for missiles guided by integrated guidance and control (IGC). Firstly, the elevator deflection command is directly designed in the frame of IGC to make the line‐of‐sight (LOS) angle converge to the desired value in finite time; thereafter, the missiles will fly along the desired LOS until they hit the target. Then a method to estimate the impact time is provided; this can help the user systematically choose the missile parameters in order to achieve a certain impact time, and thus this result can be applied to the case of salvo attack of multiple missiles without online data links. Finally, simulation studies are performed to verify the effectiveness of the proposed scheme.
Dyadic interactions in children exhibiting the broader autism phenotype: Is the broader autism phenotype distinguishable from typical development?
Authors: Kellerman A. M. , Schwichtenberg A. J. , Tonnsen B. L. , Posada G. , Lane S. P.
Published: January 2019

In families raising a child with an autism spectrum disorder (ASD), infant siblings are at elevated risk for ASD and other developmental concerns, including elements of the broader autism phenotype (BAP). Typically, the BAP is indexed using standardized developmental assessments; however, these measures do not capture a number of social difficulties commonly associated with the BAP. The present study aims to expand our developmental understanding of the BAP by comparing children exhibiting the BAP to their typically developing peers on, (a) standardized measures of development, and (b) social behaviors exhibited during dyadic play interactions. As part of a prospective study, dyads were recruited from families with at least one older child with ASD (high‐risk, n = 36), and families with no history of ASD (low‐risk, n = 38). During laboratory visits at 12, 15, 18, and 24 months of age, infants completed a series of standardized assessments and a mother–child play interaction. Dyadic play interactions were micro‐analytically coded for gaze, positive affect, and vocalizations to create theory‐driven composites to index dyadic synchrony and responsiveness. Videos were also coded with an existing rating scheme for joint engagement and child responsiveness. Multilevel models revealed significant group differences on select constructs within the first 2 years. Language and cognitive differences emerged by 24 months of age, whereas dyadic differences were evident as early as 15 months. Recognizing the increasing demand for elevated‐risk interventions, these findings highlight several social constructs through which interventions may identify risk and promote optimal development. Autism Res 2019, 12: 469–481 © 2019 International Society for Autism Research, Wiley Periodicals, Inc.

Lay Summary

In families raising children with an autism spectrum disorder (ASD), younger siblings are at an increased risk for social and developmental difficulties that characterize a “broader autism phenotype.” The present study explored the emergence of social, language, and cognitive differences in the first 2 years of life. Social differences were evident as early as 15 months of age for several play‐based measures, and language and cognitive differences emerged by 24 months of age. For infant siblings of children with ASD, some of the earliest behavioral marks for subclinical features of ASD are evident within the first 2 years of life.
The stability of joint engagement states in infant siblings of children with and without ASD: Implications for measurement practices
Authors: Bottema‐Beutel Kristen , Kim So Yoon , Crowley Shannon , Augustine Ashley , Kecili‐Kaysili Bahar , Feldman Jacob , Woynaroski Tiffany
Published: January 2019

Obtaining stable estimates of caregiver–child joint engagement states is of interest for researchers who study development and early intervention in young children with autism spectrum disorder (ASD). However, studies to date have offered little guidance on the numbers of sessions and coders necessary to obtain sufficiently stable estimates of these constructs. We used procedures derived from G theory to carry out a generalizability study, in which we partitioned error variance between two facets of our system for measuring joint engagement states: session and coder. A decision study was then conducted to determine the number of sessions and coders required to obtain g coefficients of 0.80, an a priori threshold set for acceptable stability. This process was conducted separately for 10 infant siblings of children with ASD (Sibs‐ASD) and 10 infants whose older sibling did not have ASD (Sibs‐TD), and for two different joint engagement states; lower‐ and higher‐order supported joint engagement (LSJE and HSJE, respectively). Results indicated that, in the Sibs‐ASD group, four sessions and one coder was required to obtain acceptably stable estimates for HSJE; only one session and one coder were required for LSJE. In the Sibs‐TD group, two sessions and one coder were required for HSJE; seven sessions and two coders were required for LSJE. Implications for measurement in future research are discussed. Autism Res 2019, 12: 495–504 © 2019 International Society for Autism Research, Wiley Periodicals, Inc.

Lay Summary

This study offers guidance for researchers who measure joint engagement between caregivers and infants who have an older sibling with ASD, and who have older siblings who are TD.
Assessing availability and greenhouse gas emissions of lignocellulosic biomass feedstock supply – case study for a catchment in England
Authors: Ni Yuanzhi , Mwabonje Onesmus N. , Richter Goetz M. , Qi Aiming , Yeung Kenny , Patel Martin , Woods Jeremy
Published: January 2019

Feedstocks from lignocellulosic biomass (LCB) include crop residues and dedicated perennial biomass crops. The latter are often considered superior in terms of climate change mitigation potential. Uncertainty remains over their availability as feedstocks for biomass provision and the net greenhouse gas emissions (GHG) during crop production. Our objective was to assess the optimal land allocation to wheat and Miscanthus in a specific case study located in England, to increase biomass availability, improve the carbon balance (and reduce the consequent GHG emissions), and minimally constrain grain production losses from wheat. Using soil and climate variables for a catchment in east England, biomass yields and direct nitrogen emissions were simulated with validated process‐based models. A ‘Field to up‐stream factory gate’ life‐cycle assessment was conducted to estimate indirect management‐related GHG emissions. Results show that feedstock supply from wheat straw can be supplemented beneficially with LCB from Miscanthus grown on selected low‐quality soils. In our study, 8% of the less productive arable land area was dedicated to Miscanthus, increasing total LCB provision by about 150%, with a 52% reduction in GHG emission per ton LCB delivered and only a minor effect on wheat grain production (−3%). In conclusion, even without considering the likely carbon sequestration in impoverished soils, agriculture should embrace the opportunities to provide the bioeconomy with LCB from dedicated, perennial crops. © 2019 Society of Chemical Industry and John Wiley & Sons, Ltd
Training and accrediting international surgeons
Authors: Stawicki S P , Nwomeh B C , Peck G L , Sifri Z C , Garg M , Sakran J V , Papadimos T J , Anderson H L , Firstenberg M S , Gracias V H , Asensio J A
Published: January 2019

Background

Formal international medical programmes (IMPs) represent an evolution away from traditional medical volunteerism, and are based on the foundation of bidirectional exchange of knowledge, experience and organizational expertise. The intent is to develop multidirectional collaborations and local capacity that is resilient in the face of limited resources. Training and accreditation of surgeons continues to be a challenge to IMPs, including the need for mutual recognition of competencies and professional certification.

Methods

MEDLINE, Embase and Google Scholar™ were searched using the following terms, alone and in combination: ‘credentialing’, ‘education’, ‘global surgery’, ‘international medicine’, ‘international surgery’ and ‘training’. Secondary references cited by original sources were also included. The authors, all members of the American College of Academic International Medicine group, agreed advice on training and accreditation of international surgeons.

Results and conclusion

The following are key elements of training and accrediting international surgeons: basic framework built upon a bidirectional approach; consideration of both high-income and low- and middle-income country perspectives; sourcing funding from current sources based on existing IMPs and networks of IMPs; emphasis on predetermined cultural competencies and a common set of core surgical skills; a decentralized global system for verification and mutual recognition of medical training and certification. The global medical system of the future will require the assurance of high standards for surgical education, training and accreditation.
Implementation science and innovation in global surgery
Authors: Weiser T G , Forrester J A , Negussie T
Published: January 2019

Introduces implementation science
Scrotal hematoma following femoral artery puncture
Authors: Ishibashi Shun , Sakakura Kenichi , Yamamoto Kei , Okochi Tomohisa , Momomura Shin‐ichi , Fujita Hideo
Published: January 2019

Key Clinical Message

The scrotum hematoma following femoral artery puncture is a rare complication. The bleeding from the puncture site drained through the inguinal canal into the scrotum. The present case may indicate the importance of quick observation of the scrotum, when the puncture of femoral artery was performed.
Thioesters as Acyl Donors in Biocatalytic Friedel‐Crafts‐type Acylation Catalyzed by Acyltransferase from Pseudomonas Protegens
Authors: Żądło‐Dobrowolska Anna , Schmidt Nina G. , Kroutil Wolfgang
Published: January 2019

Functionalization of aromatic compounds by acylation has considerable significance in synthetic organic chemistry. As an alternative to chemical Friedel‐Crafts acylation, the C‐acyltransferase from Pseudomonas protegens has been found to catalyze C−C bond formation with non‐natural resorcinol substrates. Extending the scope of acyl donors, it is now shown that the enzyme is also able to catalyze C−S bond cleavage prior to C−C bond formation, thus aliphatic and aromatic thioesters can be used as acyl donors. It is worth to mention that this reaction can be performed in aqueous buffer. Identifying ethyl thioacetate as the most suitable acetyl donor, the products were obtained with up to >99 % conversion and up to 88 % isolated yield without using additional base additives; this represents a significant advancement to prior protocols.
Mechanistic Insight into Palladium‐Catalyzed Carbocyclization‐Functionalization of Bisallene: A Computational Study
Authors: Zhang Jing , Shan Chunhui , Lv Kang , Zhu Lei , Li Yuanyuan , Liu Tao , Lan Yu
Published: January 2019

Density functional theory calculations were performed to reveal the mechanisms of Pd‐catalyzed cascade carbocyclization‐borylation and arylation reactions. The computational results indicate that the reactions start with allylic C−H cleavage through concerted metalation‐deprotonation and an intramolecular exo‐type allene insertion to form a six‐membered carbocycle intermediate. The regioselectivity of insertion could be explained by frontier molecular orbital theory and natural population analysis calculation. In the absence of extra nucleophiles, η1/η3‐isomerization followed by acetate‐assisted deprotonation could yield polyene product. When nucleophile was added to the reaction system, transmetalation and subsequent reductive elimination could give the exo‐substituted triene as major product. Meanwhile, η1/η3‐isomerization, transmetalation, and reductive elimination could afford the endo‐isomer as side product. The regioselectivity of further functionalization is controlled by the competition of transmetalation and η1/η3‐isomerization. The computational results show that both exo‐ and endo‐boronation product could be observed when bis(pinacolato)diboron is added as nucleophile. However, only exo‐phenylation product is observed when phenylboronic acid is used as nucleophile because of the high free‐energy barrier for reductive elimination from aryl η3‐allylic palladium.
Performance and Microbial Community of Simultaneous Denitrification and Biomineralization in Bioreactors
Authors: Su Junfeng , Bai Yihan , Huang Tinglin , Gao Yichou , Wei Li , Lu Jinsuo
Published: January 2019

The effects of combined different strains on a simultaneous denitrification and biomineralization process were examined. The influence of sodium succinate concentration, pH, and hydraulic retention time on nitrate and hardness removal was evaluated in bioreactors. Experimental results indicated that high nitrate and hardness removal efficiencies were obtained under optimum conditions. The community diversity was markedly influenced by the concentration of sodium succinate. The findings proved that Pseudomonas sp. H117 and Pseudomonas sp. H2 played a key role in the process of nitrate and hardness removal. The main component of sedimentation generated from the bioreactor was detected as calcium ion precipitation by scanning electron microscopy and X‐ray diffraction.
Alkylation of Allyl/Alkenyl Sulfones by Deoxygenation of Alkoxyl Radicals
Authors: Han Jia‐Bin , Guo Ao , Tang Xiang‐Ying
Published: January 2019

A challenging deoxygenation of alkoxyl radicals from readily accessible alcohol derivatives was developed, affording facile synthesis of functionalized alkenes with good functional group tolerance under mild reaction conditions. Because alkoxyl radicals can easily undergo β‐fragmentations or hydrogen abstractions, this new strategy for deoxygenation of alkoxyl radicals is highly valuable. Moreover, mechanistic studies revealed that the electron‐neutral phosphine acts as the deoxygenation reagent.
Is Iron the New Ruthenium?
Authors: Wenger Oliver S.
Published: January 2019

Ruthenium complexes with polypyridine ligands are very popular choices for applications in photophysics and photochemistry, for example, in lighting, sensing, solar cells, and photoredox catalysis. There is a long‐standing interest in replacing ruthenium with iron because ruthenium is rare and expensive, whereas iron is comparatively abundant and cheap. However, it is very difficult to obtain iron complexes with an electronic structure similar to that of ruthenium(II) polypyridines. The latter typically have a long‐lived excited state with pronounced charge‐transfer character between the ruthenium metal and ligands. These metal‐to‐ligand charge‐transfer (MLCT) excited states can be luminescent, with typical lifetimes in the range of 100 to 1000 ns, and the electrochemical properties are drastically altered during this time. These properties make ruthenium(II) polypyridine complexes so well suited for the abovementioned applications. In iron(II) complexes, the MLCT states can be deactivated extremely rapidly (ca. 50 fs) by energetically lower lying metal‐centered excited states. Luminescence is then no longer emitted, and the MLCT lifetimes become much too short for most applications. Recently, there has been substantial progress on extending the lifetimes of MLCT states in iron(II) complexes, and the first examples of luminescent iron complexes have been reported. Interestingly, these are iron(III) complexes with a completely different electronic structure than that of commonly targeted iron(II) compounds, and this could mark the beginning of a paradigm change in research into photoactive earth‐abundant metal complexes. After outlining some of the fundamental challenges, key strategies used so far to enhance the photophysical and photochemical properties of iron complexes are discussed and recent conceptual breakthroughs are highlighted in this invited Concept article.
Search for Shorter Portions of the Proline‐Rich Antimicrobial Peptide Fragment Bac5(1–25) That Retain Antimicrobial Activity by Blocking Protein Synthesis
Authors: Mardirossian Mario , Sola Riccardo , Degasperi Margherita , Scocchi Marco
Published: January 2019

The spread of antibiotic‐resistant pathogens has boosted the search for new antimicrobial drugs. Proline‐rich antimicrobial peptides are promising lead compounds for the development of next‐generation antibiotics, given their very low cytotoxicity and their good antimicrobial activity targeting the bacterial ribosome. Bac5(1–25) is an N‐terminal fragment of the bovine proline‐rich antimicrobial peptide Bac5, whose mode of action has been recently described. In this work we tested a number of Bac5(1–25) fragments, and we characterized their antimicrobial activity against Escherichia coli, Acinetobacter baumannii, Klebsiella pneumoniae, Staphylococcus aureus, Salmonella enterica, and Pseudomonas aeruginosa. We evaluated their cytotoxicity toward human cells and their efficacy in inhibiting bacterial protein synthesis. This allowed us to identify some shorter fragments of Bac5(1–25) with a good balance between antibacterial efficacy, protein synthesis inhibition, and ease/cost‐effectiveness of synthesis, suitable as lead compounds to develop new antibacterials.
Traveling‐wave meets standing‐wave: A simulation study using pair‐of‐transverse‐dipole‐ring coils for adjustable longitudinal coverage in ultra‐high field MRI
Authors: Yan Xinqiang , Gore John C. , Grissom William A.
Published: January 2019

At ultrahigh fields (B0 ≥ 7T), it is challenging to cover a large field of view using single‐row conventional RF coils (standing wave resonators) due to the limited physical dimensions. In contrast, traveling wave approaches can excite large fields of view even using a relatively simple hardware setup, but suffer from poor efficiency and high local specific absorption rate in non‐imaged regions. In this study, we propose and numerically analyze a new coil which combines the concept of traveling wave and standing wave. The new coil consists of a pair of transverse dipole rings (PTDR) whose separation is adjusted according to the desired imaging coverage. The PTDR coil was validated using electromagnetic simulations in phantoms and human leg models, which showed that coverage can be as long as 60 cm. When the coverage of the PTDR coil was shortened to 20 cm to cover the knees only, it's transmit and specific absorption rate efficiencies were 84% and 37% higher than those of the 50 cm coverage, respectively.
Radiographic retropharyngeal lymph node involvement in HPV‐associated oropharyngeal carcinoma: Patterns of involvement and impact on patient outcomes
Authors: Lin Timothy A. , Garden Adam S. , Elhalawani Hesham , Elgohari Baher , Jethanandani Amit , Ng Sweet P. , Mohamed Abdallah S. , Frank Steven J. , Glisson Bonnie S. , Debnam J. Matthew , Sturgis Erich M. , Phan Jack , Reddy Jay P. , Fuller Clifton D. , Morrison William H. , Skinner Heath D. , Rosenthal David I. , Gunn G. Brandon
Published: January 2019

Background

The objective of the current study was to characterize the incidence, pattern, and impact on oncologic outcomes of retropharyngeal lymph node (RPLN) involvement in HPV‐associated oropharyngeal cancer (OPC).

Methods

Data regarding patients with HPV‐associated OPC who were treated at The University of Texas MD Anderson Cancer Center with intensity‐modulated radiotherapy from 2004 through 2013 were analyzed retrospectively. RPLN status was determined by reviewing pretreatment imaging and/or reports. Outcomes analysis was restricted to patients with lymph node‐positive (+) disease. Kaplan‐Meier survival estimates were generated and survival curves were compared using the log‐rank test. Bayesian information criterion assessed model performance changes with the addition of RPLN status to current American Joint Committee on Cancer staging. Competing risk analysis compared modes of disease recurrence.

Results

The incidence of radiographic RPLN involvement was 9% (73 of 796 patients) and was found to vary by primary tumor site. The 5‐year rates of freedom from distant metastases (FDM) and overall survival were lower in patients with RPLN(+) status compared with those with RPLN‐negative (‐) status (84% vs 93% [P = .0327] and 74% vs 87% [P = .0078], respectively). RPLN(+) status was not found to be associated with outcomes on multivariate analysis. Bayesian information criterion analysis demonstrated that current American Joint Committee on Cancer staging was not improved with the inclusion of RPLN. Locoregional and distant disease recurrence probabilities for those patients with RPLN(+) status were 8% and 13%, respectively, compared with 10% and 6%, respectively, for those with RPLN(‐) status. RPLN(+) status portended worse 5‐year FDM in the low‐risk subgroup (smoking history of <10 pack‐years) and among patients who received concurrent chemotherapy but not induction chemotherapy.

Conclusions

RPLN(+) status was associated with worse overall survival and FDM on univariate but not multivariate analysis. In subgroup analyses, RPLN(+) status was associated with poorer FDM in both patients with a smoking history of <10 pack‐years and those who received concurrent chemotherapy, suggesting that RPLN(+) status could be considered an exclusion criteria in treatment deintensification efforts seeking to omit chemotherapy.
Ampullary cancer: Evaluation of somatic and germline genetic alterations and association with clinical outcomes
Authors: Wong Winston , Lowery Maeve A. , Berger Michael F. , Kemel Yelena , Taylor Barry , Zehir Ahmet , Srinivasan Preethi , Bandlamudi Chaitanya , Chou Joanne , Capanu Marinela , Varghese Anna , Yu Kenneth H. , Iacobuzio‐Donahue Christine A. , Shia Jinru , Klimstra David S. , Jarnagin William R. , Stadler Zsofia K. , O’Reilly Eileen M.
Published: January 2019

Background

Ampullary carcinoma (AC) is a rare gastrointestinal cancer. Pathogenic germline alterations (PGAs) in BRCA2 and potentially targetable somatic alterations (SAs) in ERBB2 and ELF3 have been previously described in AC. Memorial Sloan Kettering Cancer Center has implemented an opt‐in strategy for germline testing (GT) and somatic testing (ST) for patients with AC to further evaluate the spectrum of PGAs and SAs.

Methods

Forty‐five patients with pathologically confirmed AC prospectively consented with the Memorial Sloan Kettering Integrated Mutation Profiling of Actionable Cancer Targets (MSK‐IMPACT) test (410‐468 genes). A subset of the cohort (23 of the 45 patients) also consented to GT with MSK‐IMPACT (76‐88 genes). Germline data for 21 of the remaining 22 patients who had not consented to GT were obtained in a de‐identified fashion without clinical correlation. Clinicopathologic features, treatment histories, and survival data for consenting patients were collected and analyzed.

Results

Pancreaticobiliary, intestinal, and mixed features of the 2 types were the primary pathologic subtypes of AC identified in this cohort. No difference in median overall survival was found between pathologic subtypes. Eight of 44 patients (18%) were identified as harboring pathogenic mutations in BRCA2, ATM, RAD50, and MUTYH. In addition, this study found a wide spectrum of SAs in genes such as KRAS, MDM2, ERBB2, ELF3, and PIK3CA. Two patients in the cohort underwent SA‐targeted therapy, and 1 had a partial radiographic response.

Conclusions

Mutations in multiple somatic and germline genes were identified in this cohort. Significantly, actionable targets were identified in the tumors, and broader testing for PGAs and SAs should be considered for all patients with AC.
Melatonin receptor expression in vocal, auditory, and neuroendocrine centers of a highly vocal fish, the plainfin midshipman (Porichthys notatus)
Authors: Feng Ni Y. , Marchaterre Margaret A. , Bass Andrew H.
Published: January 2019

Melatonin plays a central role in entraining activity to the day–night cycle in vertebrates. Here, we investigate neuroanatomical substrates of melatonin‐dependent vocal–acoustic behavior in the nocturnal and highly vocal teleost fish, the plainfin midshipman (Porichthys notatus). Using in situ hybridization (ISH) and quantitative real‐time PCR (qPCR), we assess the mRNA distribution and transcript abundance of melatonin receptor subtype 1B (mel1b), shown to be important for vocalization in midshipman fish and songbirds. ISH shows robust mel1b expression in major nodes of the central vocal and auditory networks in the subpallium, preoptic area (POA), anterior hypothalamus, dorsal thalamus, posterior tuberculum, midbrain torus semicircularis and periaqueductal gray, and hindbrain. Mel1b label is also abundant in secondary targets of the olfactory, visual, and lateral line systems, as well as telencephalic regions that have been compared to the amygdala, extended amygdala, striatum, septum, and hippocampus of tetrapods. Q‐PCR corroborates mel1b abundance throughout the brain and shows significant increases in the morning compared with nighttime in tissue samples inclusive of the telencephalon and POA, but remains stable in other brain regions. Plasma melatonin levels show expected increase at night. Our findings support the hypothesis that melatonin's stimulatory effects on vocal–acoustic mechanisms in midshipman is mediated, in part, by melatonin binding in vocal, auditory, and neuroendocrine centers. Together with robust mel1b expression in multiple telencephalic nuclei and sensory systems, the results further indicate an expression pattern comparable to that in birds and mammals that is indicative of melatonin's broad involvement in the modulation of physiology and behavior.
Enhancing Lignocellulosic Biomass Hydrolysis by Hydrothermal Pretreatment, Extraction of Surface Lignin, Wet Milling and Production of Cellulolytic Enzymes
Authors: Nitsos Christos K. , Lazaridis Polykarpos A. , Mach‐Aigner Astrid , Matis Kostas A. , Triantafyllidis Konstantinos S.
Published: January 2019

Acetone and ethanol extraction of lignin deposits from the surface of hydrothermally (liquid hot water) pretreated beech wood biomass alleviates the lignin inhibitory effects during enzymatic hydrolysis of cellulose to glucose and boosts the enzymatic digestibility to high values (≈70 %). Characterization of the extracted lignins (FTIR, pyrolysis/GC–MS, differential thermogravimetry, gel permeation chromatography) indicated high purity, low molecular weight, and features that suggest that it consists mainly of fragments of the native wood lignin partially depolymerized and recondensed on the biomass surface during the hydrothermal pretreatment. The pyrolysis products of the extracted surface lignins suggest their high potential as a feedstock for the production of high added value phenolic compounds. When the enzymatic hydrolysis of the pretreated and extracted biomass solids was assisted by mild wet milling, near complete cellulose digestibility (≥95 %) could be achieved. In the context of the biorefinery and whole‐biomass valorization concept, it was also shown that the hydrothermally (hemicellulose‐deficient) pretreated and delignified biomass solids could be also successfully used for the production of crude cellulase from Trichoderma reesei cultures, providing a simple and low‐cost method for the complementary production of cellulases by utilizing fractions of the integrated hydrolysis process.
Automatic extraction technique of CD‐SEM evaluation points to measure semiconductor overlay error
Authors: Miyamoto Atsushi , Kawahara Toshikazu
Published: January 2019

In semiconductor device manufacturing process, it is necessary to measure overlay error between integrated layers. As semiconductor process design rules continue to shrink, small overlay error comes to lead to the fatal fault of the device electrical property. As a result, the needs for the dense overlay measurement in the chip with the use of circuit pattern increase. We propose an automatic extraction technique of the evaluation points (EPs) that are suitable for the overlay measurement by scanning electron microscopy using design data of the device pattern layout. The proposed algorithm extracts all measureable patterns by evaluation of the positional relationship between a segment pair on the upper and lower layers by plural selection indices. Simulation was performed to estimate the overlay error distribution within the shot area using the EPs automatically extracted by the proposed method. The standard deviations of estimation errors in the x‐ and y‐directions were 0.06 nm and 0.10 nm (3ó), respectively. It was confirmed that distortion in the exposure apparatus can be estimated automatically and highly accurately.
The current and future burden of heart failure in Portugal
Authors: Gouveia Miguel , Ascenção Raquel , Fiorentino Francesca , Costa João , Caldeira Daniel , Broeiro‐Gonçalves Paula , Fonseca Candida , Borges Margarida
Published: January 2019

Aims

Heart failure (HF) is a clinical syndrome with significant social and economic burden. We aimed to estimate the burden of HF in mainland Portugal over a 22‐year time horizon, between 2014 and 2036.

Methods and results

Heart failure burden was measured in disability‐adjusted life years (DALYs), resulting from the sum of years of life lost (YLL) due to premature death and years lost due to disability (YLD). YLL were estimated based on the Portuguese mortality rates reported by the European Detailed Mortality Database. For YLD, disease duration and the overall incidence were estimated using an epidemiological model developed by the World Health Organization (DISMOD II). Disability weights were retrieved from published literature. The impact of ageing was estimated with a shift‐share analysis using official demographic projections. In 2014, 4688 deaths were attributed to HF, corresponding to 4.7% of the total deaths in mainland Portugal. DALYs totalled 21 162, 53.9% due to premature death (YLL: 11 398) and 46.1% due to disability (YLD: 9765). Considering only population ageing over a 22‐year horizon, the deaths and burden of HF are expected to increase by 73.0% and 27.9%, respectively, reaching 8112 deaths and 27 059 DALYs lost due to HF in 2036. DALY's growth is mainly driven by the increase of YLL, whose contribution to overall burden will increase to 62.0%.

Conclusions

Heart failure is an emerging and growing health problem where significant health gains may be obtained. The projected significant increase of HF burden highlights the need to set HF as a priority for healthcare system.
Use of Imidazo[1,2‐a]pyridine as a Carbonyl Surrogate in a Mannich‐Like, Catalyst Free, One‐Pot Reaction
Authors: Naresh Gunaganti , Lakkaniga Naga Rajiv , Kharbanda Anupreet , Yan Wei , Frett Brendan , Li Hong‐yu
Published: January 2019

Derivatization of imidazo[1,2‐a]pyridine scaffolds have gained considerable attention due to the biological significance of therapeutics based on the imidazopyridine core. By utilizing a catalyst‐free, “Mannich type” reaction, we developed a simple and efficient protocol to aminomethylate the C‐3 position of imidazo[1,2‐a]pyridine through a multicomponent, decarboxylation reaction involving imidazo[1,2‐a]pyridine, a secondary amine, and glyoxylic acid. The developed protocol requires mild reaction conditions and furnishes diverse imidazo[1,2‐a]pyridine analogues from commercially available starting materials. Additionally, the current protocol improves prior methods, which were limited by the amine substrate scope. Taken together, this current methodology permits rapid diversification of imidazo[1,2‐a]pyridines to enhance combinatorial efficiency in the drug discovery processes.
Separator Membranes for Lithium–Sulfur Batteries: Design Principles, Structure, and Performance
Authors: Gupta Aritrajit , Sivaram Swaminathan
Published: January 2019

Improvement in electrical energy storage systems is one of the most recent research topics of great academic and industrial interest. Lithium‐sulfur (Li‐S) battery systems offer a theoretical energy density an order of magnitude larger than the popular Li‐ion batteries. The principle of working, inherent challenges in utilizing this system for commercial applications, and the various approaches taken to address these challenges are herein discussed in detail. The polysulfide shuttle effect is a major concern that deteriorates electrochemical performance in this system. In the recent past, electrodes have been intricately engineered to tackle this problem. However, more recently, the focus has shifted to the critical role of the separator. Modifying conventional separators or fabricating novel structures to enhance the cell performance appears to be a more feasible option. Some design principles that are critical to the functioning of a separator in Li‐S batteries, namely physisorption, chemisorption, and electrostatic repulsion, are discussed. Many recent papers proposed novel cell configurations with specifically designed functional separators. These reports are classified according to three design principles, analyzed critically, and compared with a view to assess their relative merits and efficacy. Some thoughts on the future directions in the development of an efficient separator are described.
Highly Efficient Reductive Etherification of 5‐Hydroxymethylfurfural to 2,5‐Bis(Alkoxymethyl)Furans as Biodiesel Components over Zr‐SBA Catalyst
Authors: Wei Junnan , Wang Ting , Liu Huai , Li Mengzhu , Tang Xing , Sun Yong , Zeng Xianhai , Hu Lei , Lei Tingzhou , Lin Lu
Published: January 2019

Biomass‐derived di‐ethers, 2,5‐bis(alkoxymethyl)furans (BAMFs), are currently envisaged as promising biodiesel or additives. Herein, Zr‐SBA prepared by a urea hydrolysis method (Zr‐SBA‐UH) is used as a highly active bifunctional catalyst for the reductive etherification of 5‐hydroxymethylfurfural (HMF), and offers the 2,5‐bis(isopropoxymethyl)furan (BPMF) yield up to 93.6% using isopropanol as the solvent and hydrogen source. Zirconia is proved to be located mainly out of the mesoporous channels for Zr‐SBA‐UH, which leads to significant enhancement in the acid content of the catalyst, and then greatly promotes the catalytic performance of Zr‐SBA‐UH for the reductive etherification of HMF. The general soundness of Zr‐SBA‐UH in other monohydric alcohols is further confirmed in this contribution, guaranteeing that a family of BAMFs can be prepared by this catalytic system. In addition, Zr‐SBA‐UH is a robust catalyst that can be reused for at least five continuous runs without a significant loss of its catalytic activity.
The role of jumps in the agricultural futures market on forecasting stock market volatility: New evidence
Authors: Ma Feng , Zhang Yaojie , Wahab M. I. M. , Lai Xiaodong
Published: January 2019

In this study, we explore the effect of cojumps within the agricultural futures market, and cojumps between the agricultural futures market and the stock market, on stock volatility forecasting. Also, we take into account large and small components of cojumps. We have several noteworthy findings. First, large jumps may lead to more substantial fluctuations and are more powerful than small jumps. The effect of cojumps and their decompositions on future volatility are mixed. Second, a model including large and small cojumps between the agricultural futures market and the stock market can achieve a higher forecasting accuracy, implying that large and small cojumps contain more useful predictive information than cojumps themselves. Third, our conclusions are robust based on various robustness tests such as the realized kernel, expanding forecasts, different forecasting windows, different jump tests, and different threshold values.