bluuebunny/crossref_metadata_2025 huggingface dataset:
Cost Efficiency of Ballast Water Treatment Systems Based on Ultraviolet Irradiation and Electrochlorination
Authors: Vorkapić Aleksandar , Radonja Radoslav , Zec Damir
Published: July 2018

Having come into effect, the International Convention for the Control and Management of Ships’ Ballast Water and Sediments of 2004 requires ships to process their ballast water in accordance with specific standards. Different processing methods require different use of ship power, thus affecting fuel oil consumption, ships’ energy efficiency, and the ship economics in general. This paper presents the analysis and comparison of the economic viability of systems using two dominant ballast water treatment methods on merchant ships. The cost effectiveness of these methods, UV irradiation and electrochlorination, is compared to the standard efficiency of ballast water exchange using sequential flow method as a reference. The process efficiency is measured through fuel oil consumption on board. Taking into account possible variations in efficiency due to different designs and environmental constraints and assumptions, the findings are in favor of the electrochlorination method.
Prediction and Analysis of Structural Noise from a U-beam Using the FE-SEA Hybrid Method
Authors: Luo Wenjun , Cheng Long , Tong Lihong , Yu Wennian , Mechefske Chris
Published: July 2018

With urban rail transit noise becoming an increasingly serious issue, accurate and quick analysis of the low to medium frequency spectral characteristics of this noise has become important. Based on the FE-SEA (Finite Element - Statistical Energy Analysis) hybrid method, a vibration prediction model of a U-beam was established using a frequency-dividing strategy. The frequency domain and spatial characteristics of the vibration and structural noise of the U-beam within the 1.25-500 Hz frequency range, when subjected to vertical wheel-rail interaction forces, were analyzed. Compared with other methods described in the literature, the proposed FE-SEA hybrid method improves the calculation efficiency while ensuring better accuracy for a wide frequency range of structural noise and vibration. It was found that the excitation frequencies of the wheel-rail force dominate the spectra of the vibration and structural noise of the U-beam. Therefore, the frequency band containing the excitation frequencies should be the target for noise and vibration reduction when implementing strategies. The results show that the bottom plate contributes the most to the sound pressure level at all prediction points, and therefore should be the focus for noise and vibration reduction.
Dual leucine zipper kinase is required for mechanical allodynia and microgliosis after nerve injury
Authors: Wlaschin Josette J , Gluski Jacob M , Nguyen Eileen , Silberberg Hanna , Thompson James H , Chesler Alexander T , Le Pichon Claire E
Published: July 2018

Neuropathic pain resulting from nerve injury can become persistent and difficult to treat but the molecular signaling responsible for its development remains poorly described. Here, we identify the neuronal stress sensor dual leucine zipper kinase (DLK; Map3k12) as a key molecule controlling the maladaptive pathways that lead to pain following injury. Genetic or pharmacological inhibition of DLK reduces mechanical hypersensitivity in a mouse model of neuropathic pain. Furthermore, DLK inhibition also prevents the spinal cord microgliosis that results from nerve injury and arises distant from the injury site. These striking phenotypes result from the control by DLK of a transcriptional program in somatosensory neurons regulating the expression of numerous genes implicated in pain pathogenesis, including the immune gene Csf1. Thus, activation of DLK is an early event, or even the master regulator, controlling a wide variety of pathways downstream of nerve injury that ultimately lead to chronic pain.
Nanoscale dysregulation of collagen structure-function disrupts mechano-homeostasis and mediates pulmonary fibrosis
Authors: Jones Mark G , Andriotis Orestis G , Roberts James JW , Lunn Kerry , Tear Victoria J , Cao Lucy , Ask Kjetil , Smart David E , Bonfanti Alessandra , Johnson Peter , Alzetani Aiman , Conforti Franco , Doherty Regan , Lai Chester Y , Johnson Benjamin , Bourdakos Konstantinos N , Fletcher Sophie V , Marshall Ben G , Jogai Sanjay , Brereton Christopher J , Chee Serena J , Ottensmeier Christian H , Sime Patricia , Gauldie Jack , Kolb Martin , Mahajan Sumeet , Fabre Aurelie , Bhaskar Atul , Jarolimek Wolfgang , Richeldi Luca , O'Reilly Katherine MA , Monk Phillip D , Thurner Philipp J , Davies Donna E
Published: July 2018

Matrix stiffening with downstream activation of mechanosensitive pathways is strongly implicated in progressive fibrosis; however, pathologic changes in extracellular matrix (ECM) that initiate mechano-homeostasis dysregulation are not defined in human disease. By integrated multiscale biomechanical and biological analyses of idiopathic pulmonary fibrosis lung tissue, we identify that increased tissue stiffness is a function of dysregulated post-translational collagen cross-linking rather than any collagen concentration increase whilst at the nanometre-scale collagen fibrils are structurally and functionally abnormal with increased stiffness, reduced swelling ratio, and reduced diameter. In ex vivo and animal models of lung fibrosis, dual inhibition of lysyl oxidase-like (LOXL) 2 and LOXL3 was sufficient to normalise collagen fibrillogenesis, reduce tissue stiffness, and improve lung function in vivo. Thus, in human fibrosis, altered collagen architecture is a key determinant of abnormal ECM structure-function, and inhibition of pyridinoline cross-linking can maintain mechano-homeostasis to limit the self-sustaining effects of ECM on progressive fibrosis.
Expositive Acts on Instagram: Knowing What People Intent to “Write” on their Captions through Pragmatics Perspective
Authors: Amirudin Amirudin , Triyono Sulis
Published: July 2018

Instagram as one of the famous social network sites in this century is as one way to share various kinds of general information and to present our activities, events, achievements, vacations, and so forth. The present study explored expositive acts presented in the caption of Instagram-posting by Indonesian users. It is interesting that expositive acts used are to emphasize self-presentation on their posting. 734 photo-posting with caption from 15 participants were found. The expositive acts performed by the participants were classified based on the kinds of expositive acts as proposed by Austin (1962). The factors initiating each kind of expositive acts were described. The representation of self-presentation on expositive acts was discussed. The present study found ten kinds of expositive acts which were also identified as the communicative intention presented in their Intagram-posting with caption, namely: apprising, describing, affirming, supposing, remarking, informing, postulating, confirming, arguing, and telling. Finally, the present study offer implication for further study that the caption used in this social medium is as another valuable aspect in Instagram for emphasizing self-presentation phenomena, in which this caption is also incorporated with communicative intention by the users implicitly or explicitly addressed to others.
The Use of Loanwords in Emirati Arabic According to Speakers’ Gender, Educational Level, and Age
Authors: Alnamer Abdul Salam Mohamad , Salam Alnamer Sulafah Abdul
Published: July 2018

This study aims at identifying the loanwords commonly used in Emirati Arabic (EA), determining their origins and identifying the reasons behind using them. It also investigates the impact of gender, education, and age of speakers of EA on the use of loanwords. To meet these ends, a questionnaire was designed and distributed among 90 speakers of EA who were then classified into three groups: 1) gender; females and males, 2) education; educated and uneducated, and 3) age; young and old. The results show that female EA speakers, educated EA speakers, and young EA speakers use loanwords more than their counterparts in their specific groups. Moreover, the results show that EA speakers use loanwords of different origins like English, Persian, Hindi, and Turkish in addition to a few words of French, Italian, German, and Spanish. The study discusses the possible reasons for these results and concludes with some recommendations for further research.
Recombination between T-DNA insertions to cause chromosomal deletions in Arabidopsis is a rare phenomenon
Authors: Seagrist John F. , Su Shih-Heng , Krysan Patrick J.
Published: July 2018

We previously described the identification of a chromosomal deletion in Arabidopsis thaliana that resulted in the elimination of genomic DNA between two T-DNA insertions located ca. 25 kilobases apart on chromosome IV. The mechanism responsible for this deletion appears to have been recombination between the closely spaced T-DNA elements located in trans in a parent plant. In our original study, we observed one such deletion event after screening ca. 2,000 seedlings using a polymerase chain reaction (PCR) assay. Because a method for precisely deleting a selected region of the Arabidopsis genome would have significant value as a research tool, we were interested in determining the frequency with which this type of T-DNA-directed deletion occurs. To do this we designed a genetic screen that would allow us to phenotypically screen for deletions caused by recombination between T-DNA inserts. This screen involved crossing T-DNA single-mutant lines in order to produce F1 plants in which the two T-DNA insertions flanked a FUSCA (FUS) locus present in the genome. Loss-of-function mutations of FUS genes cause a distinctive developmental phenotype that can be easily scored visually in young seedlings. We used T-DNA lines flanking FUS2, FUS6, FUS7, and FUS11 for this study. Recombination between the T-DNAs in an F1 parent should result in deletion of the FUS gene located between the T-DNAs. Because the deletion would be heterozygous in the F2 generation, we screened the F3 progeny of pooled F2 individuals to search for the fus loss-of-function phenotype. Using this strategy we were able to evaluate a total of 28,314 meioses for evidence of deletions caused by recombination between the T-DNA inserts. No seedlings displaying the fus phenotype were recovered, suggesting that deletions caused by recombination between T-DNA inserts are relatively rare events and may not be a useful tools for genome engineering in Arabidopsis.
Honey reduces the metastatic characteristics of prostate cancer cell lines by promoting a loss of adhesion
Authors: Abel Sean D.A. , Dadhwal Sumit , Gamble Allan B. , Baird Sarah K.
Published: July 2018

Honey has been shown to have a range of therapeutic effects in humans, with anti-inflammatory and anti-bacterial effects among those previously characterised. Here, we examine the possibility of New Zealand thyme, manuka and honeydew honeys, and their major sugar and phenolic components, reducing the development of metastatic cancer. Their activity was examined in vitro, in PC3 and DU145 prostate cancer cell lines, through measuring the compounds’ effects on the metastatic characteristics of migration, invasion and adhesion. First, the phenolic compounds gallic acid, caffeic acid, quercetin, kaempferol and chrysin were quantified in the honeys using high performance liquid chromatography, and found in nanomolar concentrations. In a Boyden chamber-based migration assay, non-toxic concentrations of thyme and honeydew honeys reduced cell migration by 20%, and all phenolic compounds except caffeic acid also lowered migration, although a mixture of only the sugars found in honey had no effect. All of the honeys, phenolics and the sugar-only mixture reduced invasive movement of cells through extracellular matrix by up to 75%. Most notably, each of the three honeys and the sugar-only mixture reduced cell adhesion to collagen I by 90%. With the exception of quercetin, phenolic compounds did not reduce adhesion. Therefore, honey and its sugar and phenolic components can lower the metastatic properties of cancer cells, and may do this by preventing effective cell adhesion to the extracellular matrix. The sugars and phenol compounds of honey are much more effective in combination than individually.
Beetles in bamboo forests: community structure in a heterogeneous landscape of southwestern Amazonia
Authors: Jacobs Jennifer M. , von May Rudolf , Kavanaugh David H. , Connor Edward F.
Published: July 2018

Amazonian bamboo forests dominated by large woody bamboo plants in the genusGuaduacover approximately 180,000 km2and represent a key resource for many organisms. In southwestern Amazonia, native bamboo forests differ in structure, biodiversity, and growth dynamics from other forest types in the region. However, with the exception of a few species in which habitat specialization or a strong habitat association has been demonstrated, little is known about how bamboo forests influence animal community structure. In an effort to understand more about the animal assemblages associated with Amazonian bamboo forests, we characterized the structure of ground-dwelling beetle assemblages living in bamboo forests and adjacent terra firme forests in a lowland rainforest site in Peru. We conducted intensive pitfall trap surveys in 13 bamboo habitat patches and 13 adjacent terra firme habitat patches to determine if there were differences in the abundance and richness of beetle species in these two habitat types. Additionally, given that southwestern Amazonia experiences distinct dry and wet seasons, we conducted our study during the dry and wet season of one year to account for differences in seasonality. We found a distinct beetle assemblage associated with each forest type, and identified a set of dominant species that significantly contributed to the distinctness in beetle community structure between bamboo and terra firme forest. The terra firme forest had a greater number of rare species than the bamboo forest. Several beetle species exhibited a strong association with the bamboo forest, including a large species of Scarabaeidae that appears to be specializing on bamboo. We also found marked differences in beetle assemblages between dry and wet seasons. Our results support the prediction that beetle community structure in bamboo forest differs from that of terra firme in terms of species richness, abundance, and composition. Bamboo-associated animal communities require more exploration and study, and must be included in regional conservation plans seeking to protect entire animal communities in southwestern Amazonia.
Major medical causes by breed and life stage for dogs presented at veterinary clinics in the Republic of Korea: a survey of electronic medical records
Authors: Kim Eunju , Choe Changyong , Yoo Jae Gyu , Oh Sang-Ik , Jung Younghun , Cho Ara , Kim Suhee , Do Yoon Jung
Published: July 2018

Background

Age and breed are considered the greatest risk factors for disease prevalence and mortality in companion dogs. Understanding the prevalence of diseases, in relation to age and breed, would support appropriate guidance for future health care strategies and provide useful information for the early diagnosis of diseases. The purpose of this study was to investigate the major medical causes for dogs visiting primary-care veterinary clinics in the Republic of Korea, stratified by age and breed.

Methods

A total of 15,531 medical records of canine patients were analyzed from 11 veterinary clinics who shared data from January 1, 2016 to December 31, 2016. An electronic medical record (EMR) system was used for data collection, which included the animal identification number, age, breed, gender, neuter status, clinical information, and diagnosis. EMR data were classified using the International Classification of Disease system from the World Health Organization; presenting signs or diagnoses were identified according to breed and life stage.

Results

Within the age groups, preventive medicine (16.7% confidence intervals (CI) [15.9–17.5]) was the most common cause for clinic visits for the <1 year and 1–3 year groups. Additionally, neutering surgery (6.6% CI [6.0–7.1]) and patella luxation (1.4% CI [1.8–2.7]) were frequently performed in these age groups. In the 4–6 year group, otitis externa (8.8% CI [7.8–10.0]) and dermatitis or eczema (8.5% CI [7.5–9.6]) were common medical problems. In older dogs (>10 year), the prevalences of heart disease, kidney disease, Cushing’s disease, and mammary tumors were higher than in the other age groups. Small and toy breed dogs comprised 67.7% of all dogs in this analysis. For all breeds, otitis externa, dermatitis or eczema, vomiting, and diarrhea were common medical problems.

Discussion

This study identified the most common medical disorders and differences in prevalences of diseases, according to age and breeds. The information from EMRs for dogs visiting primary-care veterinary clinics can provide background knowledge that is required to enable a better understanding of disease patterns and occurrence by age and breeds. The information from this study could enable the creation of strategies for preventing diseases and enable the identification of health problems for more effective disease management in companion dogs.
AnnotationBustR: an R package to extract subsequences from GenBank annotations
Authors: Borstein Samuel R. , O’Meara Brian C.
Published: July 2018

Background

DNA sequences are pivotal for a wide array of research in biology. Large sequence databases, like GenBank, provide an amazing resource to utilize DNA sequences for large scale analyses. However, many sequence records on GenBank contain more than one gene or are portions of genomes. Inconsistencies in the way genes are annotated and the numerous synonyms a single gene may be listed under provide major challenges for extracting large numbers of subsequences for comparative analysis across taxa. At present, there is no easy way to extract portions from many GenBank accessions based on annotations where gene names may vary extensively.

Results

The R packageAnnotationBustRallows users to extract sequences based on GenBank annotations through the ACNUC retrieval system given search terms of gene synonyms and accession numbers.AnnotationBustRextracts subsequences of interest and then writes them to a FASTA file for users to employ in their research endeavors.

Conclusion

FASTA files of extracted subsequences and accession tables generated byAnnotationBustRallow users to quickly find and extract subsequences from GenBank accessions. These sequences can then be incorporated in various analyses, like the construction of phylogenies to test a wide range of ecological and evolutionary hypotheses.
Age of onset of cannabis use and decision making under uncertainty
Authors: Alameda-Bailén Jose Ramón , Salguero-Alcañiz Pilar , Merchán-Clavellino Ana , Paíno-Quesada Susana
Published: July 2018

Objective

Cannabis, like other substances, negatively affects health, inducing respiratory problems and mental and cognitive alterations. Memory and learning disorders, as well as executive dysfunctions, are also neuropsychological disorders associated to cannabis use. Recent evidence reveals that cannabis use during adolescence may disrupt the normal development of the brain. This study is aimed to analyze possible differences between early-onset and late-onset cannabis consumers.

Method

We used a task based on a card game with four decks and different programs of gains/losses. A total of 72 subjects (19 women; 53 men) participated in the study; they were selected through a purposive sampling and divided into three groups: early-onset consumers, late-onset consumers, and control (non-consumers). The task used was the “Cartas” program (computerized version based on the Iowa Gambling Task (IGT)), with two versions: direct and inverse. The computational model “Prospect Valence Learning” (PVL) was applied in order to describe the decision according to four characteristics: utility, loss aversion, recency, and consistency.

Results

The results evidence worst performance in the IGT in the early-onset consumers as compared to late-onset consumers and control. Differences between groups were also found in the PVL computational model parameters, since the process of decision making of the early-onset consumers was more influenced by the magnitude of the gains-losses, and more determined by short-term results without loss aversion.

Conclusions

Early onset cannabis use may involve decision-making problems, and therefore intervention programs are necessary in order to reduce the prevalence and delay the onset of cannabis use among teenagers.
PROBLEMATIZANDO EXPERIÊNCIAS DE MODELAGEM MATEMÁTICA DESENVOLVIDAS NO ENSINO MÉDIO
Authors: Neide Italo Gabriel , Böckel Wolmir José , König Rosilene Inês , Haefliger Camila , Hepp Rehfeldt Márcia Jussara
Published: July 2018

Este relato objetiva apresentar resultados oriundos de uma  atividade de Modelagem Matemática desenvolvida com alunos do 1º ano do E. M. O planejamento ocorreu entre uma professora de Matemática, integrantes da Pesquisa Tendências no Ensino e bolsistas. O grupo se reuniu durante dois meses. A prática de Modelagem Matemática foi planejada à luz dos passos de Burak e Aragão (2012). O papel da professora titular foi o de mediadora. Os resultados apontam que nem todos os alunos conseguiram realizar registros matemáticos. Entretanto, puderam-se observar tabelas, maquetes, gráficos, quadros e uma equação expressa. A prática revelou o quanto a exploração contribuiu no entendimento de aspectos relacionados à água. Os alunos afirmaram que foi relevante aprender matemática de forma contextualizada e que foram corresponsáveis pela sua aprendizagem. Ainda aludiram que desenvolveram a capacidade de colaborar com os colegas, trabalhando em pequenos grupos.
Modular Self‐Assembling Peptide Platform with a Tunable Thermoresponsiveness via a Single Amino Acid Substitution
Authors: Jeong Woo‐jin , Kwon Soo hyun , Lim Yong‐beom
Published: July 2018

The introduction of a stimulus‐responsive property is an effective way to increase the applicability of functional materials in the field of nanobiotechnology. Herein, a peptide platform is devised for constructing elastin‐like peptide amphiphiles (ELPAs) that exhibit a temperature‐responsiveness that can be easily tuned via a single N‐terminal amino acid substitution at the final step of peptide synthesis. Due to the modular property of peptides, the platform based on a miniaturized elastin‐like peptide (MELP) can be conjugated with various bioactive peptide sequences in diverse macromolecular topologies. First, the MELP platform is coupled with a short linear RGD peptide. The ELPAs of the peptide conjugates exhibit rapid aggregation (coacervation) and retard disaggregation in response to heating and cooling, respectively. Second, the platform is grafted with an α‐helical guest peptide in a lariat‐type structure, which forms ELPAs that undergo faster disassembly than the ELPAs without the guest peptide in response to temperature increases. Interestingly, the critical temperatures for the thermoresponsive behaviors are commonly dependent on the hydrophobic and aromatic properties of the N‐terminal amino acid residues. These results suggest that this peptide platform possesses great potential for use in the development of smart materials in wide‐ranging applications related to temperature change.
Bispentiptycenyl‐N‐Heterocyclic Carbene (NHC) Gold Complexes: Highly Active Catalysts for the Room Temperature Hydration of Alkynes
Authors: Heidrich Maximillian , Bergmann Marvin , Müller‐Borges Dorian , Plenio Herbert
Published: July 2018

The virtually quantitative, room temperature hydration of various terminal and internal alkynes in methanol/water requires between 0.01–0.05 mol% of [AuCl(NHC)] activated with 1.5 equiv. of silver triflate and 45 equiv. of triflic acid (both relative to gold complex) with ton of up to 300.000. Iptycenyl‐substituted NHC ligands play the key role and the most efficient NHC ligand is characterized by a hemispherical shape formed by two N‐pentiptycenyl substituents.

magnified image
Origin of Positive Aging in Quantum‐Dot Light‐Emitting Diodes
Authors: Su Qiang , Sun Yizhe , Zhang Heng , Chen Shuming
Published: July 2018

The phenomenon of positive aging, i.e., efficiency increased with time, is observed in quantum‐dot light‐emitting diodes (QLEDs). For example, the external quantum efficiency (EQE) of blue QLEDs is significantly improved from 4.93% to 12.97% after storage for 8 d. The origin of such positive aging is thoroughly investigated. The finding indicates that the interfacial reaction between Al cathode and ZnMgO electron transport layer accounts for such improvement. During shelf‐aging, the Al slowly reacts with the oxygen from ZnMgO, and consequently, leads to the formation of AlOx and the production of oxygen vacancies in ZnMgO. The AlOx interlayer reduces the electron injection barrier while the oxygen vacancies increase the conductivity of ZnMgO and, as a result, the electron injection is effectively enhanced. Moreover, the AlOx can effectively suppress the quenching of excitons by metal electrode. Due to the enhancement of electron injection and suppression of exciton quenching, the aged blue, green, and red QLEDs exhibit a 2.6‐, 1.3‐, and 1.25‐fold efficiency improvement, respectively. The studies disclose the origin of positive aging and provide a new insight into the exciton quenching mechanisms, which would be useful for further constructing efficient QLED devices.
Trajectory analysis among African hominoids can provide insights into genetic and epigenetic influences during ontogeny
Authors: Turley Kevin , Simons Evan A. , Frost Stephen R.
Published: July 2018

Objectives

Prior examination of the ontogeny of Hominoid talo‐crural joint morphology using Singular Warp analysis suggested both a genetic and epigenetic signal during development. This question is examined using trajectory analysis and its implications for the Hominin fossil record explored.

Materials and methods

Trajectory analysis was used to examine talo‐crural joint shape at different molar eruption stages during development among a cohort of 221 specimens of Homo sapiens, Gorilla gorilla, Pan troglodytes, and Pan paniscus. Trajectory length, angle, and shape were compared among species. Trajectories that showed a consistent pattern of shape change were predicted to show a genetic signal, while change in that pattern an epigenetic signal.

Results

The trajectories of all four hominoid tali were consistent during M1‐M2 development, but there was a change in Pan paniscus alone at M2‐M3. The tibial trajectories were again consistent in M1‐M2 development, however, only Pan paniscus persisted in this trajectory at M2‐M3 while the other three changed.

Discussion

Trajectory analysis demonstrated an epigenetic signal in Pan paniscus in the talus and among the other three hominoids in the tibia. Behavioral (epigenetic) changes may impact hominoid ankle shape in extant species. These changes may reflect differences in locomotor repertoire altering shape, as has been suggested in the Hominin fossil record. Further examination of closely related hominoid species may provide insights into potential behavioral influences in the rapid change and diversity of Hominin talo‐crural shape in the Plio‐pleistocene.
Peptid‐Diversifizierung durch positionsselektive C‐H‐Aktivierung im späten Synthesestadium
Authors: Wang Wei , Lorion Mélanie M. , Shah Jagrut , Kapdi Anant R. , Ackermann Lutz
Published: July 2018

Die Modifikation von strukturell komplexen Peptiden im späten Stadium der Synthese birgt großes Potenzial unter anderem für die Wirkstoffforschung, den Pflanzenschutz und die Pharmaindustrie. Während sich traditionelle Ansätze bisher weitgehend auf Vorfunktionalisierungen stützten, hat sich die C‐H‐Aktivierungskatalyse in den letzten Jahren als immer leistungsfähigere Methode für posttranslationale Peptid‐Modifikationen mit kürzeren Syntheserouten herausgestellt. Dieser Kurzaufsatz präsentiert zusammenfassend die jüngsten Erfolge in der metallorganischen C‐H‐Aktivierung an Peptiden bis Juni 2018, unter anderem mit positions‐ und chemoselektiven Palladium‐, Ruthenium‐ und Mangankatalysatoren.
Multimodale Kontrastmittel für die kombinierte Positronenemissionstomographie
Authors: Ni Dalong , Ehlerding Emily B. , Cai Weibo
Published: July 2018

Positronenemissionstomographie (PET) liefert quantitative In‐vivo‐Informationen mit höchster Empfindlichkeit, ist aber von einer vergleichsweise niedrigen räumlichen Auflösung geprägt. Um diese Einschränkung zu überwinden, stehen kommerziell erhältliche Kombinationen aus PET und orthogonalen Bildgebungsverfahren zur Verfügung, wie etwa PET/Computertomographie (CT) oder PET/Magnetresonanztomographie (MR). Inspiriert von Entwicklungen in der Nanomedizin sind zahlreiche Nanopartikel zur Kontrastverstärkung multimodaler Bildgebungsverfahren entwickelt worden. Dieser Kurzaufsatz fasst die jüngsten Entwicklungen bei PET‐basierten Nanosonden zusammen und gibt einen Überblick über die wichtigsten Fortschritte und Herausforderungen in diesem Gebiet.
Asymmetric Synthesis of Spirocyclic β‐Lactams through Copper‐Catalyzed Kinugasa/Michael Domino Reactions
Authors: Shu Tao , Zhao Long , Li Sun , Chen Xiang‐Yu , von Essen Carolina , Rissanen Kari , Enders Dieter
Published: July 2018

The first copper‐catalyzed highly chemo‐, regio‐, diastereo‐, and enantioselective Kinugasa/Michael domino reaction for the desymmetrization of prochiral cyclohexadienones is described. In the presence of a chiral copper catalyst, alkyne‐tethered cyclohexadienones couple with nitrones to generate the chiral spirocyclic lactams with excellent stereoselectivity (up to 97 % ee, >20:1 dr). The new method provides direct access to versatile highly functionalized spirocyclic β‐lactams possessing four contiguous stereocenters, including one quaternary and one tetra‐substituted stereocenter.
Utility of ninhydrin reagent for spectrofluorimetric determination of heptaminol in human plasma
Authors: Omar Mahmoud A. , Nagy Dalia M. , Halim Monica E.
Published: July 2018

For the determination of heptaminol (HEP) in its authentic and dosage form as well as in human plasma, a new simple, sensitive and cheap fluorimetric method of analysis was developed and validated. The presented method is based on the reaction between aliphatic primary amino moiety present in HEP with ninhydrin and phenylacetaldehyde using Torell and Stenhagen buffer at pH 8.2 that yields a highly fluorescent derivative which after excitation at 390 nm showed a fluorescence emission at 464 nm. The effects of various experimental factors on both the development and stability of the fluorescent product was evaluated and optimized. In the concentration range (0.5–6.0 μg/ml), the constructed calibration curve was linear with a good correlation coefficient (0.9997) and the calculated limit of detection (LOD) and limit of quantitation (LOQ) were 0.14 and 0.43 respectively. The presented method was successfully applied for determination of Corasore® tablets and validated according to ICH guidelines.
Refined Alkali Metal Ion Parameters for the OPC Water Model
Authors: Kulkarni Mandar , Yang Changwon , Pak Youngshang
Published: July 2018

Using all‐atom molecular dynamics simulations with Joung–Cheatham ion parameters and the OPC water model, the osmotic pressure values of monovalent alkali metal chloride solutions (KCl and NaCl) were calculated and compared to experimental values. The simulated osmotic pressure data were overestimated at high concentrations. To close the gap between simulation and experiment, we attempted to modify the Lennard–Jones interaction parameters of the cation–water oxygen pairs explicitly using the unequal Lorentz–Berthelot combination rule, such that experimental osmotic pressure values for a range of concentrations were well reproduced. These novel ion parameters could be potentially beneficial to simulation studies of G‐quadruplex DNA molecules, where ions play a key role in their folding process.
Assessing corporate environmental issues in international companies: A study of explanatory factors
Authors: Gallego‐Álvarez Isabel
Published: July 2018

Environmental issues have become increasingly important for companies and society in general, and information about them is of concern, to the extent that many companies have been criticized for their negative impact on the environment, rather than for their technological and economic performance. This paper attempts to go a step further by developing an index of environmental issues from the Thomson Reuters Eikon database using statistical techniques to analyze the type of environmental information that companies report internationally. An index of 71 environmental variables was constructed and a dependency model was set up to determine the explanatory variables that may influence this index of environmental disclosure. Innovation, economic development and geographical areas are some of the variables used that have been less tested in previous studies.
Kinetically Stable Bicelles with Dilution Tolerance, Size Tunability, and Thermoresponsiveness for Drug Delivery Applications
Authors: Uchida Noriyuki , Nishizawa Horimoto Noriko , Yamada Kuniyo , Hikima Takaaki , Ishida Yasuhiro
Published: July 2018

Mixtures of a phospholipid (1,2‐dipalmitoyl‐sn‐glycero‐3‐phosphatidylcholine, DPPC) and a sodium‐cholate‐derived surfactant (SC‐C5) at room temperature formed phospholipid bilayer fragments that were edge‐stabilized by SC‐C5: so‐called “bicelles”. Because the bilayer melting point of DPPC (41 °C) is above room temperature and because SC‐C5 has an exceptionally low critical micelle concentration (<0.5 mm), the bicelles are kinetically frozen at room temperature. Consequently, they exist even when the mixture is diluted to a concentration of 0.04 wt %. In addition, the lateral size of the bicelles can be fine‐tuned by altering the molar ratio of DPPC to SC‐C5. On heating to ≈37 °C, the bicelles transformed into micelles composed of DPPC and SC‐C5. By taking advantage of the dilution tolerance, size tunability, and thermoresponsiveness, we demonstrated in vitro drug delivery based on use of the bicelles as carriers, which suggests their potential utility in transdermal drug delivery.
Disentangling Ultrafast Electronic and Structural Dynamics with X‐Ray Lasers
Authors: Collet Eric , Cammarata Marco
Published: July 2018

Directing the functionality of molecules, materials and biophysical systems is challenging both from fundamental and applied standpoints. For example, understanding the elementary processes responsible for light‐induced transformations require watching electronic and structural reorganizations on their intrinsic timescales. The X‐ray free electron lasers (X‐FEL) represent a new generation of incredibly short and ultra‐bright X‐ray source, which open new possibilities for developing the multidisciplinary field of ultrafast science. Experiments around X‐FEL provide probes, sensitive to electronic and structural reorganizations, able to monitor transformations on the femtosecond timescale (1 fs=10−15 s). Recent years have seen terrific successes in providing a detailed view on light‐induced processes, compared to what was understood from conventional optical pump‐probe spectroscopy. This Concept article aims at illustrating, through recent studies mainly focussing on light‐induced excited spin state trapping, how these X‐FEL based techniques can help understanding light‐activated functions, by monitoring elementary electronic and structural processes that may occur beyond the Born–Oppenheimer approximation.
Hyper‐Cross‐Linked Polyacetylene‐Type Microporous Networks Decorated with Terminal Ethynyl Groups as Heterogeneous Acid Catalysts for Acetalization and Esterification Reactions
Authors: Sekerová Lada , Lhotka Miloslav , Vyskočilová Eliška , Faukner Tomáš , Slováková Eva , Brus Jiří , Červený Libor , Sedláček Jan
Published: July 2018

Heterogeneous catalysts based on materials with permanent porosity are of great interest owing to their high specific surface area, easy separation, recovery, and recycling ability. Additionally, porous polymer catalysts (PPCs) allow us to tune catalytic activity by introducing various functional centres. This study reports the preparation of PPCs with a permanent micro/mesoporous texture and a specific surface area SBET of up to 1000 m2 g−1 active in acid‐catalyzed reactions, namely aldehyde and ketone acetalization and carboxylic acid esterification. These PPC‐type conjugated hyper‐cross‐linked polyarylacetylene networks were prepared by chain‐growth homopolymerization of 1,4‐diethynylbenzene, 1,3,5‐triethynylbenzene and tetrakis(4‐ethynylphenyl)methane. However, only some ethynyl groups of the monomers (from 58 to 80 %) were polymerized into the polyacetylene network segments while the other ethynyl groups remained unreacted. Depending on the number of ethynyl groups per monomer molecule and the covalent structure of the monomer, PPCs were decorated with unreacted ethynyl groups from 3.2 to 6.7 mmol g−1. The hydrogen atoms of the unreacted ethynyl groups served as acid catalytic centres of the aforementioned organic reactions. To the best of our knowledge, this is first study describing the high activity of hydrogen atoms of ethynyl groups in acid‐catalyzed reactions.
A multiscale computational modeling for cerebral blood flow with aneurysms and/or stenoses
Authors: Yu Hongtao , Huang George P. , Yang Zifeng , Ludwig Bryan R.
Published: July 2018

A 1‐dimensional (1D)‐3‐dimensional (3D) multiscale model for the human vascular network was proposed by combining a low‐fidelity 1D modeling of blood circulation to account for the global hemodynamics with a detailed 3D simulation of a zonal vascular segment. The coupling approach involves a direct exchange of flow and pressure information at interfaces between the 1D and 3D models and thus enables patient‐specific morphological models to be inserted into flow network with minimum computational efforts. The proposed method was validated with good agreements against 3 simplified test cases where experimental data and/or full 3D numerical solution were available. The application of the method in aneurysm and stenosis studies indicated that the deformation of the geometry caused by the diseases may change local pressure loss and as a consequence lead to an alteration of flow rate to the vessel segment.
Postauthorization Changes to Specific Obligations of Conditionally Authorized Medicines in the European Union: A Retrospective Cohort Study
Authors: Bloem Lourens T. , Mantel‐Teeuwisse Aukje K. , Leufkens Hubert G. M. , De Bruin Marie L. , Klungel Olaf H. , Hoekman Jarno
Published: July 2018

When medicines are granted a Conditional Marketing Authorisation (CMA) in Europe, specific obligations are requested to obtain comprehensive data on benefits and risks. We performed a retrospective cohort study to characterize obligations, examine changes to their description and due dates after initial authorization, determine timing of data submission relative to due dates, and identify drug‐related, procedure‐related, and obligation‐related factors associated with change. We identified 69 obligations for 26 medicines conditionally authorized between 2006 and 2016. We found 39 changes to 27 obligations (39% of obligations), of which four substantially changed the obligation. For 55% of obligations, data submission was delayed. Eleven factors were associated with change, including the use of CMA as a rescue option. The results are potentially indicative of a continuous search by regulators to reduce uncertainties. Submission delays impact public health negatively by prolonging exposure of patients to unknown risks, particularly when the level of uncertainty is high.
Design of a Mesoscale Continuous‐Flow Route toward Lithiated Methoxyallene
Authors: Seghers Sofie , Heugebaert Thomas S. A. , Moens Matthias , Sonck Jolien , Thybaut Joris W. , Stevens Christian V.
Published: July 2018

Invited for this month′s cover is the group of Christian Stevens at Ghent University. The image shows how continuous flow chemistry can help to rapidly obtain a library of compounds. Lithiated alkoxyallenes are like chameleons turning themselves into a variety of heterocycles. The Full Paper itself is available at 10.1002/cssc.201800760.
Inflammation in the subcutaneous adipose tissue does not attenuate endothelial function in subjects with diabetes mellitus and subjects with dyslipidaemia and hypertension: A cross‐sectional study
Authors: van Poppel Pleun C. M. , Abbink Evertine J. , Stienstra Rinke , Netea Mihai G. , Tack Cees J.
Published: July 2018

Background

Obesity is associated with low‐grade inflammation that may be related to vascular disease. We hypothesized that inflammation in the subcutaneous adipose tissue is associated with impaired endothelium‐dependent vasodilatation.

Methods

We assessed endothelial function by measuring forearm vascular response to acetylcholine and determined inflammation in subcutaneous fat biopsies in 2 groups of subjects; 15 patients with type 2 diabetes mellitus (T2DM) and 19 subjects with dyslipidaemia combined with hypertension (DcH). The adipose tissue inflammation score was based on adipocyte size, influx of macrophages and presence of crown‐like structures. We compared the vascular response to acetylcholine between subjects with and without adipose tissue inflammation.

Results

Patients with diabetes had clearly decreased vasodilatation compared to patients with DcH. In total, 23 of the 34 fulfilled the criteria of subcutaneous adipose tissue inflammation. However, there was no difference in vascular response to acetylcholine between the group with and without inflammation (changes in FBF from baseline 3.9 ± 0.8, 7.8 ± 1.0 and 13.6 ± 1.0 mL/dL/min compared to 4.3 ± 1.0, 7.9 ± 2.1 and 12.2 ± 2.4 mL/dL/min in response to acetylcholine 0.5, 2.0 and 8.0 μg/dL/min), nor was there a relationship between systemic hs‐CRP levels and endothelial function.

Conclusions

We confirm that subjects with T2DM have impaired endothelial function compared to age‐ and BMI‐matched subjects with DcH. However, endothelial function did not differ between participants with or without inflammation in the subcutaneous adipose tissue. These results suggest that fat tissue inflammation, at least in the subcutaneous compartment, does not affect vascular function.
Highly Efficient Indium(III) Collection from Water by a Reaction with a Layered Titanate (Na2Ti3O7)
Authors: (Tip) Sirinakorn Thipwipa , Bureekaew Sareeya , Ogawa Makoto
Published: July 2018

The reaction of an aqueous solution of indium(III) chloride with a sodium titanate (Na2Ti3O7) is investigated. The remaining amount of the indium(III) in the aqueous solution after the reaction with Na2Ti3O7 has been examined to show the efficient collection of indium(III) from the aqueous solution. The maximum collected indium(III) amount for Na2Ti3O7 is 2 mmol/g Na2Ti3O7, which is superior to other reported ion exchangers. The collected indium(III) exists as indium hydroxide particles, with a particle size of several tens of nm (the size of microns), on the surface of H2Ti3O7, which formed from Na2Ti3O7 through proton–sodium exchange during the reaction.
Recent Developments and Synthetic Applications of Nucleophilic Zirconocene Complexes from Schwartz's Reagent
Authors: Pinheiro Danielle L. J. , de Castro Pedro P. , Amarante Giovanni W.
Published: July 2018

Organozirconium chemistry has been widely employed in organic synthesis since its discovery in the last century. In this context, Schwartz's reagent stands out as a powerful tool that has been applied in several chemical transformations. This chemistry has attracted considerable attention due to its versatility, allowing chemoselective C–C, C–N, and C–X bond formation, as well as hydrozirconation. The reagent is in fact a zirconium‐containing metallocene, which is compatible with the presence of various metals in cross‐coupling reactions. Enantioselective transformations of organozirconium are described here, which have recently found wide applications in total synthesis. Furthermore, aspects covering ring‐closure reactions, affording complex stereoenriched cycles and heterocycles, such as substituted cyclopropanes and pyrrolidines, are hereby disclosed.
Micropalaeontological and isotopic analyses of the middle Palaeocene succession at Gebel Nezzi (Luxor, Egypt): Implications for eustatic changes
Authors: Farouk Sherif , Askalany Mohamed , Ahmad Fayez , Youssef Mohamed , Taha Saida , El‐Sorogy Abdelbaset
Published: July 2018

Gebel Nezzi (Upper Nile Valley, Egypt) was chosen to study the middle Palaeocene planktonic foraminiferans, nannoplankton contents, benthic foraminiferans, and stable isotopes to provide additional information into sea‐level changes. Two negative excursions are recorded that are associated with a sharp change in palaeoenvironmental conditions, representing significant global palaeoceanographic, palaeoclimatic, and eustatic events observed at other sites around the world. They are characterized by a drop in total foraminiferal abundance associated with a drop in the type, species richness, frequency, and diversity of foraminifers. The first negative excursion of −0.6‰ δ13C and −0.5 δ18O occurs during the Late Danian Event (LDE) almost near the upper part of the planktonic foraminiferal P3a Subzone and within the calcareous nannofossil NTp8A Subzone at the top of the lower third of Chron C26r. It is dominated by shallow‐water benthic foraminiferans of theNeoeponides duwibiofacies. The Danian‐Selandian boundary lies directly above the LDE within the top of the nannofossil Zone NP4, and within the planktonic foraminiferal Subzone P3b with significant increases in angular morozovellids associated with the earliest Cenozoic hyperthermals. The second negative excursion of −0.6‰ δ13C and −2.2 δ18O occurs near the top of the Dakhla Formation and is dominated by the benthic foraminiferalBulimina farafraensisbiofacies within the upper part of the calcareous nannofossil NTp9 Subzone and upper part of the planktonic foraminiferal P4a Subzone. These negative excursions associated with a well‐known falling sea level and are an important tool for regional correlation. Fluctuations in the foraminiferal population, benthic biofacies, δ13C and δ18O isotopes and carbonate content reflect three fourth‐order transgressive–regressive (T–R) sequences response to eustatic changes in the Egyptian stable tectonic shelf.