bluuebunny/crossref_metadata_2025_split huggingface dataset:
One‐Step Paths of the Alkene Hydration Revealed by a DFT Study
Authors: Yamabe Shinichi , Tsuchida Noriko , Yamazaki Shoko 
Published: August 2017

AbstractDFT calculations were carried out for alkene hydration reactions. A model, alkene + H3O+ (H2O)13 → alcohol + H3O+(H2O)12, was adopted to assure proton transfer routes. The second and larger one, alkene + H3O+(H2O)21 → alcohol + H3O+(H2O)20, was also employed for some key reactions. Alkene substrates adopted here are ethylene, propylene, isobutene, styrenes (α‐methyl, para Z‐C6H4‐CH=CH2, Z=NO2, CN, CF3, Cl, H, Me, OMe, OH, NH2 and NMe2). Transition‐state geometries were determined, and the subsequent intrinsic reaction coordinate (IRC) analyses were made. In contrast to the traditional scheme, the stepwise path including the carbocation is quite limited (only for the styrene with Z=OMe, OH, NH2 and NMe2). Even for the isobutene substrate, the tert‐Bu+ cation intermediate was not found and a one‐step path was obtained. Calculated activation energies, +32.52 kcal/mol (a) for ethylene, +27.10 kcal/mol (b) for propylene, +21.33 kcal/mol (c) for isobutene, +19.79 kcal/mol (d) for styrene and +23.79 kcal/mol (e) for para‐nitrostyrene, are in good agreement with experimental values, +32.4±1 kcal/mol (a), +26.4±1 kcal/mol (b), +21.1±0.2 kcal/mol (c), +19.2±0.5 kcal/mol (d) and +23.2 kcal/mol (e), respectively. The solvent isotope effect k(H2O)/k(D2O) was calculated and was compared with the experimental data.
Facile Synthesis of a Next Generation Safety‐Catch Acid‐Labile Linker, SCAL‐2, Suitable for Solid‐Phase Synthesis, On‐Support Display and for Post‐Synthesis Tagging
Authors: Portal Christophe , Hintersteiner Martin , Barbeau Olivier , Dodd Peter , Huggett Margaret , Pérez‐Pi Irene , Evans David , Auer Manfred 
Published: August 2017

AbstractThe SCAL linker, a safety catch linker, is amongst the most versatile linkers for solid phase synthesis. It was originally described in 1991 by Pátek and Lebl. Yet, its application has been hindered by the low yields of published synthetic routes. Over time, the exceptional versatility of this linker has been demonstrated in several applications of advanced solid phase synthesis of peptides and peptidomimetics. Recently, an updated synthesis of the original linker has also been presented at the 22nd American Peptide Symposium, comprising 10 steps. Herein, the design and synthesis of a next generation SCAL linker, SCAL‐2, is reported. SCAL‐2 features a simplified molecular architecture, which allows for a more efficient synthesis in 8 steps with superior yields. Both linkers, SCAL and SCAL‐2 are compared in terms of their cleavage properties adding valuable information on how to best utilize the versatility of these linkers for solid phase synthesis.
Rhodium Nanoparticles Loaded on Carbon‐Wrapped Fe3O4 Sphere: an Efficient, Stable and Magnetically Recoverable Catalyst for the Catalytic Transfer Hydrogenation of Nitroarenes in Water
Authors: Zhou Junjie , Chen Zhangpei , Hu Zenan , Li Kang , Ai Yongjian , Li Shuang , Qi Li , Tang Zhike , Liu Lei , Sun Hong‐bin 
Published: August 2017

AbstractThe carbon wrapped magnetic nanosphere Fe3O4@C (∼300 nm) was prepared under simple hydrothermal conditions, and it served as the carrier of Rh nanoparticles (2‐3 nm), which acted as the highly efficient catalyst for reduction of nitro compounds, and reutilization of catalyst is convenient to achieve because the catalyst particles are magnetic. A scope of nitroarene derivatives were reduced to corresponding anilines in water, and the reactions completed in 10 min with nearly quantitative conversions and 100% selectivity. In addition, the abundant oxygen‐containing functionality on the carbon shell which can strongly binds the Rh‐NPs to offer extraordinary stability is investigated by using various techniques, including transmission electron microscopy (TEM), X‐ray photoelectron spectroscopy (XPS), X‐Ray Diffraction (XRD), and Fourier transform infrared spectrometer (FT‐IR).
Mediterranean wetlands: archaeology, ecology, and sustainability
Authors: Balbo Andrea L. , Martinez‐Fernández Julia , Esteve‐Selma Miguel‐Angel 
Published: August 2017

We propose a long‐term view of the evolution of human–environment interactions within Mediterranean wetlands, from prehistory to the present day, based on available published works. Our aim is to consider the sustainable use of these landscapes, past, present, and future, integrating perspectives from archaeology, ecology, and sustainable development. After briefly introducing the physiographic and ecological processes that characterize Mediterranean wetlands and the ecosystem services they provide to human populations, we consider their significance for three major questions in European archaeology: the Neanderthal extinction and the spread of modern humans, the introduction and spread of agriculture, human environmental impact since the Bronze and Iron ages. We then proceed with historical evidence of intentional transformation of Mediterranean wetlands by means of land reclamation, from the Classical to Medieval periods and into Modern times, before considering the current state of Mediterranean wetlands and the challenges they are facing in the present day. The preservation of wetlands has now become a priority issue at European level and generates concern for local communities and governing bodies, concerning biodiversity, maintenance of key services and cultural preservation. Based on the review of key events in the dynamic relationship between human populations and Mediterranean wetlands, we end by exploring available initiatives, tools and strategies to assess and support their conservation, governance and sustainable development, present and future.WIREs Water2017, 4:e1238. doi: 10.1002/wat2.1238This article is categorized under:Water and Life > Conservation, Management, and AwarenessEngineering Water > Planning WaterHuman Water > Water as Imagined and Represented
Cover Image, Volume 6, Issue 5
Authors: Smith Ryan J. , Rao‐Bhatia Abilasha , Kim Tae‐Hee 
Published: August 2017

The cover image, by Ryan J. Smith et al., is based on the Advanced Review Signaling and epigenetic mechanisms of intestinal stem cells and progenitors: insight into crypt homeostasis, plasticity, and niches, DOI: 10.1002/wdev.281. Image Credit: Wasi Rizvi and Abilasha Rao‐Bhatia.
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Reference scenarios for evaluating wood pellet production in the Southeastern United States
Authors: Parish Esther S. , Dale Virginia H. , Kline Keith L. , Abt Robert C. 
Published: August 2017

Wood pellet exports from the Southeastern United States (SE US) to Europe have been increasing in response to European Union member state policies to displace coal with renewable biomass for electricity generation. An understanding of the interactions among SE US forest markets, forest management, and forest ecosystem services is required to quantify the effects of pellet production compared to what would be expected under a reference case or ‘counterfactual scenario’ without pellet production. Inconsistent methods to define and justify the counterfactual scenario result in conflicting estimates and large uncertainties about the impacts of pellet production on SE US forests. Guidelines to support more consistent and transparent counterfactual scenarios are proposed. The guidelines include identifying major influences on current SE US forest conditions, developing potential futures that clearly document underlying assumptions and associated uncertainties, identifying the most likely alternative feedstock fates, and estimating the effects of no pellet demand on future forest conditions. The guidelines can help modelers to more accurately reflect the past and current forest dynamics and to consider the implications for SE US forest landscapes of future scenarios with and without pellet production. WIREs Energy Environ 2017, 6:e259. doi: 10.1002/wene.259This article is categorized under:

Bioenergy > Climate and Environment
Energy and Climate > Climate and Environment
Energy and Development > Climate and Environment
Laser-assisted surgery of the upper aero-digestive tract: a clarification of nomenclature. A consensus statement of the European Laryngological Society
Authors: Remacle Marc , Arens Christoph , Eldin Mostafa Badr , Campos Guillermo , Estomba Carlos Chiesa , Dulguerov Pavel , Fiz Ivana , Hantzakos Anastasios , Keghian Jerôme , Mora Francesco , Matar Nayla , Peretti Giorgio , Piazza Cesare , Postma Gregory N. , Prasad Vyas , Sjogren Elisabeth , Dikkers Frederik G. 
Published: August 2017

Abstract
Acronyms and abbreviations are frequently used in otorhinolaryngology and other medical specialties. CO2 laser-assisted transoral surgery of the pharynx, the larynx and the upper airway is a family of commonly performed surgical procedures termed transoral laser microsurgery (TLM). The abbreviation TLM can be confusing because of alternative modes of delivery. Classification and definition of the different types of procedures, performed transorally or transnasally, are proposed by the Working Committee for Nomenclature of the European Laryngological Society, emphasizing the type of laser used and the way this laser is transmitted. What is usually called TLM, would more clearly be defined as CO2 laser transoral microsurgery or CO2 TOLMS or CO2 laser transoral surgery only (with a handpiece) would be defined as CO2 TOLS. KTP transnasal flexible laser surgery would be KTP TNFLS. Transoral use of the flexible CO2 wave-guide with a handpiece would be a CO2 TOFLS. One can argue that these clarifications are not necessary and that the abbreviation TLM for transoral laser microsurgery is more than sufficient. But this is not the case. Laser surgery, office-based laser surgery and microsurgery are frequently and erroneously interchanged for one another. These classifications allow for a clear understanding of what was performed and what the results meant.
HOSPITAL-BASED HEALTH TECHNOLOGY ASSESSMENT IN IRAN
Authors: Mohtasham Farideh , Majdzadeh Reza , Jamshidi Ensiyeh 
Published: August 2017

Background: Hospitals with health technology assessment (HTA) programs have reported its positive effects on the management of resources and costs. This study aimed to identify the barriers faced by hospital-based HTA (HBHTA) in Iran by inductive content analysis of stakeholders’ and decision-makers’ points of view.Methods: The key individuals and organizations that could provide rich, relevant, and diverse data in response to the research question were purposively selected for the interviews and focus group discussion.Results: Twelve stakeholders from seven public hospitals participated in the interviews. Another eighteen stakeholders from twelve HBHTA-related organizations took part in the focus group discussion. Most of the hospitals’ senior management team did not feel the need for HBHTA and believed that in Iran a systematic process like HTA faces many challenges.Conclusions: The stakeholders participating in this study highlighted the significance of certain points that needed to be addressed before establishing HBHTA in Iran.
QUṬB AL-DĪN AL-SHĪRĀZĪ AND THE DEVELOPMENT OF NON-PTOLEMAIC PLANETARY MODELING IN THE 13thCENTURY
Authors: Gamini Amir-Mohammad 
Published: August 2017

AbstractComing after Muʾayyad al-Dīn al-ʿUrḍī (1200–1266) and Naṣīr al-Dīn al-Ṭūsī (1201–1274), Quṭb al-Dīn al-Shīrāzī (1236–1311), a leading figure of the so-called Marāgha school in astronomy, presents his predecessors’ non-Ptolemaic models and criticizes them in his threehayʾabooks. Since his own new models inNihāyat al-idrāk(written in Arabic in 1281) andIkhtiyārāt muẓaffarī(written in Persian in 1282) are not without difficulties, in his latest book onhayʾa,al-Tuḥfa al-shāhiyya(written in Arabic in 1285) he puts forward his modified models inspired from Ṭūsī’s and ʿUrḍī’s models and produces a series of new models for Mercury and the oscillation of the spheres. Nevertheless, in spite of all his attempts, the tradition of non-Ptolemaic modeling after him never converged to a series of standard models.
MULLĀ ṢADRĀ ON THE PROBLEM OF NATURAL UNIVERSALS
Authors: Faruque Muhammad U. 
Published: August 2017

AbstractThis study investigates the problem of the natural universal (kullī ṭabīʿī) in the works of Mullā Ṣadrā (d. 1640). The problem of universals made its way into Arabic/Islamic philosophy via its Greek sources, and was transformed into the problem of natural universals by Avicenna. Weighing in on this problem, Ṣadrā reinterprets the nature of natural universals against the backdrop of his doctrine of “the primacy of being.” As he argues, a natural universal or quiddity qua quiddity is an “accidental being” that requireswujūdfor its existentiation. Thus, Ṣadrā re-envisions the status of natural universals by stripping them of their disputed status as independently existing entities.
Die Krampfanfallrate unter zwei Medikationsschemata im Alkoholentzug
Authors: C. Lutz Ulrich , Dedner Christopher , Palm Philipp , Haug Monika , Swietlik Bernd , Batra Anil 
Published: August 2017

Zusammenfassung. Ziel: Der Krampfanfall stellt eine Komplikation des Alkoholentzugs dar. Die Studie vergleicht zwei Medikationsschemata bezüglich der Krampfanfallrate im stationären Alkoholentzug. Methodik: Es wurde ein retrospektives, naturalistisches Herangehen gewählt. Patienten, die im Zentrum für Psychiatrie in Winnenden in der Klinik für Suchttherapie und Entwöhnung im Jahr 2009 und 2010 sowie von 2012 bis 2015 zum Zweck des qualifizierten Alkoholentzugs behandelt wurden, wurden hinsichtlich der Krampfanfallrate untersucht. Es kamen in den Zeiträumen zwei unterschiedliche Medikationsschemata im Entzug (altes Schema [AS]: starres Schema mit Clomethiazol und Oxcarbazepin; neues Schema [NS]: flexibles Schema mit Clomethiazol) zum Einsatz. Ergebnisse: Es wurden N = 10 836 Fälle (AS: n = 2675 bzw. NS: n = 8161) untersucht. Patienten, die mit dem AS behandelt wurden, waren signifikant älter und hatten eine längere Verweildauer. Die Geschlechterverteilung war nicht unterschiedlich. Die Krampfanfallrate, nicht jedoch die Zeit bis zum Eintritt eines Krampfanfalls, war auch unter Berücksichtigung von Alter und Verweildauer signifikant geringer (p < .0001) unter Anwendung des NS (0.527 %) verglichen mit dem AS (1.607 %). Schlussfolgerungen: Trotz methodischer Einschränkungen, die sich aus dem nichtkontrollierten Ansatz ergeben, zeigt sich unter Anwendung eines risikostratifizierten Schemas mit symptomgetriggerter Eindosierungs- und starrer Abdosierphase eine signifikant geringere Krampfanfallrate.
Altered marginal zone and innate-like B cells in aged senescence-accelerated SAMP8 mice with defective IgG1 responses
Authors: Cortegano Isabel , Rodríguez Mercedes , Martín Isabel , Prado Maria Carmen , Ruíz Carolina , Hortigüela Rafael , Alía Mario , Vilar Marçal , Mira Helena , Cano Eva , Domínguez Mercedes , de Andrés Belén , Gaspar María Luisa 
Published: August 2017

AbstractAging has a strong impact on the activity of the immune system, enhancing susceptibility to pathogens and provoking a predominant pre-inflammatory status, whereas dampening responses to vaccines in humans and mice. Here, we demonstrate a loss of marginal zone B lymphocytes (MZ, CD19+CD45R+CD21++CD23lo) and a decrease of naive B cells (CD19+IgD+), whereas there is an enhancement of a CD19+CD45Rloinnate-like B cell population (B1REL) and the so-called aged B cell compartment (ABC, CD45R+CD21loCD23loCD5−CD11b−) in aged senescence-accelerated (SAMP8) mice but not in aged senescence-resistant (SAMR1) mice. These changes in aged SAMP8 mice were associated with lower IgG isotype levels, displaying low variable gene usage repertoires of the immunoglobulin heavy chain (VH) diversity, with a diminution on IgG1-memory B cells (CD11b−Gr1−CD138−IgM−IgD−CD19+CD38+IgG1+), an increase in T follicular helper (TFH, CD4+CXCR5+PD1+) cell numbers, and an altered MOMA-1 (metallophilic macrophages) band in primary follicles. LPS-mediated IgG1 responses were impaired in the B1REL and ABC cell compartments, bothin vitroandin vivo. These data demonstrate the prominent changes to different B cell populations and in structural follicle organization that occur upon aging in SAMP8 mice. These novel results raise new questions regarding the importance of the cellular distribution in the B cell layers, and their effector functions needed to mount a coordinated and effective humoral response.
Administration of follicle-stimulating hormone induces autophagy via upregulation of HIF-1α in mouse granulosa cells
Authors: Zhou Jilong , Yao Wang , Li Chengyu , Wu Wangjun , Li Qifa , Liu Honglin 
Published: August 2017

AbstractRecent studies reported the important role of autophagy in follicular development. However, the underlying molecular mechanisms remain elusive. In this study, we investigated the effect of follicle-stimulating hormone (FSH) on mouse granulosa cells (MGCs). Results indicated that autophagy was induced by FSH, which is known to be the dominant hormone regulating follicular development and granulosa cell (GC) proliferation. The activation of mammalian target of rapamycin (mTOR), a master regulator of autophagy, was inhibited during the process of MGC autophagy. Moreover, MHY1485 (an agonist of mTOR) significantly suppressed autophagy signaling by activating mTOR. The expression of hypoxia-inducible factor 1-alpha (HIF-1α) was increased after FSH treatment. Blocking hypoxia-inducible factor 1-alpha attenuated autophagy signaling. In vitro, CoCl2-induced hypoxia enhanced cell autophagy and affected the expression of beclin1 and BCL2/adenovirus E1B interacting protein 3 (Bnip3) in the presence of FSH. Knockdown of beclin1 and Bnip3 suppressed autophagy signaling in MGCs. Furthermore, our in vivo study demonstrated that the FSH-induced increase in weight was significantly reduced after effectively inhibiting autophagy with chloroquine, which was correlated with incomplete mitophagy process through the PINK1-Parkin pathway, delayed cell cycle, and reduced cell proliferation rate. In addition, chloroquine treatment decreased inhibin alpha subunit, but enhanced the expression of 3 beta-hydroxysteroid dehydrogenase. Blocking autophagy resulted in a significantly lower percentage of antral and preovulatory follicles after FSH stimulation. In conclusion, our results indicate that FSH induces autophagy signaling in MGCs via HIF-1α. In addition, our results provide evidence that autophagy induced by FSH is related to follicle development and atresia.
The vaginal microbiome of pregnant women is less rich and diverse, with lower prevalence of Mollicutes, compared to non-pregnant women
Authors: Freitas Aline C. , Chaban Bonnie , Bocking Alan , Rocco Maria , Yang Siwen , Hill Janet E. , Money Deborah M. ,   The VOGUE Research Group, Hemmingsen Sean , Reid Gregor , Dumonceaux Tim , Gloor Gregory , Links Matthew , O’Doherty Kieran , Tang Patrick , van Schalkwyk Julianne , Yudin Mark 
Published: August 2017

AbstractThe vaginal microbiome plays an important role in maternal and neonatal health. Imbalances in this microbiota (dysbiosis) during pregnancy are associated with negative reproductive outcomes, such as pregnancy loss and preterm birth, but the underlying mechanisms remain poorly understood. Consequently a comprehensive understanding of the baseline microbiome in healthy pregnancy is needed. We characterized the vaginal microbiomes of healthy pregnant women at 11–16 weeks of gestational age (n = 182) and compared them to those of non-pregnant women (n = 310). Profiles were created by pyrosequencing of thecpn60 universal target region. Microbiome profiles of pregnant women clustered into six Community State Types: I, II, III, IVC, IVD and V. Overall microbiome profiles could not be distinguished based on pregnancy status. However, the vaginal microbiomes of women with healthy ongoing pregnancies had lower richness and diversity, lower prevalence ofMycoplasmaandUreaplasmaand higher bacterial load when compared to non-pregnant women.Lactobacillusabundance was also greater in the microbiomes of pregnant women withLactobacillus-dominated CSTs in comparison with non-pregnant women. This study provides further information regarding characteristics of the vaginal microbiome of low-risk pregnant women, providing a baseline for forthcoming studies investigating the diagnostic potential of the microbiome for prediction of adverse pregnancy outcomes.
Pregnancy reduces the perception of anxiety
Authors: Lübke Katrin T. , Busch Anne , Hoenen Matthias , Schaal Benoist , Pause Bettina M. 
Published: August 2017

AbstractIn humans, stress can be contagiously transmitted via chemosignals on a subconscious level. This study investigates how pregnancy affects neural responses to anxiety chemosignals. Using cotton pads, 28 men donated axillary sweat immediately before an academic examination (anxiety sweat) and during ergometer training (control). Via a constant-flow olfactometer, samples were presented (oddball paradigm) to 12 non-pregnant (NP) women, 14 women in their first (T1), and 18 in their third (T3) trimester of pregnancy. Chemosensory event-related potentials and current source densities (CSD) were analysed (60 electrode setup). Compared to NP-women, pregnant women display diminished evaluative processing of the sweat samples (targets; P3-1/ P3-2 amplitudes) and delayed evaluative processing of the anxiety sweat (targets; P3-2 latency). T3-women show attenuated early processing (targets; N1 amplitude) compared to NP-women, and reduced evaluative processing compared to T1-women (standards; P3-2 amplitude). CSDs (P3-1/ P3-2 latency ranges) reveal that T1- and T3-women show an atypical activation distribution to anxiety sweat. Most participants were unable to detect the sweat samples (anxiety sweat: 79.5%, sport sweat 88.6%). The results demonstrate that the processing of anxiety chemosignals progressively vanishes during pregnancy. This effect is likely to occur without any cognitive control.
The changing epidemiological characteristics of severe fever with thrombocytopenia syndrome in China, 2011–2016
Authors: Sun Jimin , Lu Liang , Wu Haixia , Yang Jun , Ren Jiangping , Liu Qiyong 
Published: August 2017

AbstractSevere fever with thrombocytopenia syndrome (SFTS) is emerging and the number of SFTS cases increased year by year in China. In order to explore the epidemiology trend, we analyzed the changing epidemiological characteristics of SFTS cases in different years and compare characteristics in different provinces. From 2011 to 2016, a total of 5360 laboratory-confirmed SFTS cases were reported and annual case numbers increased year by year. Most SFTS cases occurred in individuals aged between 40 years and 80 years (91.57%), but age distributions of SFTS cases in different years were significantly different and the median ages increased slightly year by year. The numbers of affected counties from 2011 to 2016 increased sharply from 98 to 167. Of note, the seasonal distributions of SFTS cases in different provinces were significantly different (Fisher = 712.157, P = 0.000) and provinces in south regions showed earlier epidemic peak and longer epidemics durations. The median time from illness onset to confirmation of different years was significantly different (χ2 = 896.088, P = 0.000) and it peaked in 2014. Furthermore, case fatality rate was associated with province, year, and age of SFTS cases. These results may be helpful for authorities to better preventive strategy and improve interventions against SFTS.