bluuebunny/crossref_metadata_2025_split huggingface dataset:
π‐Hydrogen Bonding Probes Chemical Reactivity: Bromination of a CC Double Bond and Electrophilic Aromatic Benzylation
Authors: Galabov Boris , Koleva Gergana , Hadjieva Boriana , Schaefer Henry F. 
Published: October 2019

AbstractThe reactivity trends for two basic organic reactions – addition of bromine to a CC double bond in alkenes and electrophilic aromatic benzylation of alkyl‐ and halobenzenes – are rationalized using both experimental and theoretical quantities. Literature kinetic data are employed. The shifts of phenol O–H stretching frequency upon π‐hydrogen bonding (Δν(OH)exp) with the nucleophilic reactants are shown to provide a quantitative measure of the reactivity for the considered reactions. Very good correlations between Δν(OH)exp and theoretically estimated charge density parameters (atomic charges and shifts of molecular electrostatic potential) show that the O–H frequency shifts reflect the variations of nucleophilic properties in the reaction centers upon structural changes. The Δν(OH)exp shifts perform much better in quantifying reactivity trends than usually employed experimental quantities, such as gas‐phase basicities and proton affinities.
Structural Reorganization–Based Nanomaterials as Anodes for Lithium‐Ion Batteries: Design, Preparation, and Performance
Authors: Han Yu , Huang Guoyong , Xu Shengming 
Published: October 2019

AbstractIn recent years, with the growing demand for higher capacity, longer cycling life, and higher power and energy density of lithium ion batteries (LIBs), the traditional insertion‐based anodes are increasingly considered out of their depth. Herein, attention is paid to the structural reorganization electrode, which is the general term for conversion‐based and alloying‐based materials according to their common characteristics during the lithiation/delithiation process. This Review summarizes the recent achievements in improving and understanding the lithium storage performance of conversion‐based anodes (especially the most widely studied transition metal oxides like Mn‐, Fe‐, Co‐, Ni‐, and Cu‐based oxides) and alloying‐based anodes (mainly including Si‐, Sn‐, Ge‐, and Sb‐based materials). The synthesis schemes, morphological control and reaction mechanism of these materials are also included. Finally, viewpoints about the challenges and feasible improvement measures for future development in this direction are given. The aim of this Review is to shed some light on future electrode design trends of structural reorganization anode materials for LIBs.
Comparing and co‐analysing microsatellite and morphological data for species delimitation in the New Zealand native Myosotis pygmaea species group (Boraginaceae)
Authors: Prebble Jessica M. , Meudt Heidi M. , Tate Jennifer A. , Symonds V. Vaughan 
Published: October 2019

AbstractDelimiting species boundaries in recent plant radiations can be challenging. The New Zealand native Myosotis pygmaea (Boraginaceae) species group is a case in point. This species complex is of interest as it includes threatened species as well as possibly threatened unnamed putative taxa. Integrative taxonomic approaches using multiple lines of evidence are frequently used to overcome the difficulties of identifying lineages resulting from recent radiations. Here we analyse genotypic data from nearly 500 Myosotis individuals using microsatellite markers, and compare and co‐analyse this dataset with previously published morphological data. Within the M. pygmaea group, several genetic clusters can be identified, none of which align exactly with the current taxonomy and morphological variation previously identified. When co‐analysing the molecular and morphological data, M. brevis can be distinguished from the remainder of the M. pygmaea species group, but no other species or previously recognised morphological groups are supported. Other groupings within the molecular dataset appear to reflect geographic structure. Within the M. pygmaea species group, the resulting pattern of low within, and high between, population genetic variation is consistent with self‐fertilization and low levels of seed dispersal.
The Effect of Sputter Cathode Design on Deposition Parameters
Authors: Gaines J.R. 
Published: October 2019

SummaryRecent advances in the classic magnetron sputter cathode design have enabled higher quality thin films and improved deposition rates. New designs that have eliminated traditional sputter target hold down fixtures and the retraction of the dark space shield have greatly increased the available sputter target surface area while reducing the probability of re‐deposition of target material on cathode components that could lead to shorting and contamination. Hermetic sealing strategies have mitigated gas permeation through the sputter cathode and enabled lower operating pressures which substantially reduces process gas inclusions in sputtered films.
Molecular characterization of Mycobacterium bovis infection in cattle and buffalo in Amazon Region, Brazil
Authors: Carneiro Paulo A. M. , Pasquatti Taynara. N. , Takatani Haruo , Zumárraga Martin J. , Marfil Maria. J. , Barnard Christian , Fitzgerald Scott D. , Abramovitch Robert B. , Araujo Flábio R. , Kaneene John B. 
Published: October 2019

AbstractThe aim of this study was to characterize Mycobacterium bovis from cattle and buffalo tissue samples, from two Brazilian states, and to analyse their genetic diversity by spoligotyping. Tissue samples from tuberculosis suspect animals, 57 in Amazonas State (12 cattle and 45 buffaloes) and six from Pará State (5 cattle and one buffalo) from slaughterhouses under State Veterinary Inspection, were isolated in culture medium Stonebrink. The positive cultures were confirmed by PCR and analysed by the spoligotyping technique and the patterns (spoligotypes) were identified and compared at the Mycobacterium bovis Spoligotype Database (http://www.mbovis.org/). There was bacterial growth in 44 (69.8%) of the tissues of the 63 animals, of which PCR for region of differentiation 4 identified 35/44 (79.5%) as Mycobacterium bovis. Six different spoligotypes were identified among the 35 Mycobacterium bovis isolates, of which SB0295, SB1869, SB0121 and SB1800 had already been described in Brazil, and SB0822 and SB1608 had not been described. The most frequent spoligotype in this study (SB0822) had already been described in buffaloes in Colombia, a neighbouring country of Amazonas state. The other identified spoligotypes were also described in other South American countries, such as Argentina and Venezuela, and described in the Brazilian states of Rio Grande do Sul, Santa Catarina, São Paulo, Minas Gerais, Mato Grosso do Sul, Mato Grosso and Goiás, indicating an active movement of Mycobacterium bovis strains within Brazil.
Molecular identification and chromosomal localization of new powdery mildew resistance gene Pm11 in oat
Authors: Ociepa Tomasz , Okoń Sylwia , Nucia Aleksandra , Leśniowska-Nowak Justyna , Paczos-Grzęda Edyta , Bisaga Maciej 
Published: October 2019

Abstract
The appropriate selection of various traits in valuable plants is very important for modern plant breeding. Effective resistance to fungal diseases, such as powdery mildew, is an example of such a trait in oats. Marker-assisted selection is an important tool that reduces the time and cost of selection. The aims of the present study were the identification of dominant DArTseq markers associated with a new resistance gene, annotated as Pm11 and derived from Avena sterilis genotype CN113536, and the subsequent conversion of these markers into a PCR-based assay. Among the obtained 30,620 silicoDArT markers, 202 markers were highly associated with resistance in the analysed population. Of these, 71 were selected for potential conversion: 42 specific to resistant and 29 to susceptible individuals. Finally, 40 silicoDArT markers were suitable for primer design. From this pool, five markers, 3 for resistant and 2 for susceptible plants, were selected for product amplification in the expected groups. The developed method, based on 2 selection markers, provides certain identification of resistant and susceptible homozygotes. Also, the use of these markers allowed the determination of heterozygotes in the analysed population. Selected silicoDArT markers were also used for chromosomal localization of new resistance genes. Five out of 71 segregating silicoDArT markers for the Pm11 gene were found on the available consensus genetic map of oat. Five markers were placed on linkage groups corresponding to Mrg12 on the Avena sativa consensus map.
Smartphone‐Based Application for Tele‐follow‐up of Patients with Endocrine Disorders in Context of a LMIC: A Compliance, Satisfaction, Clinical Safety and Outcome Assessment
Authors: Yadav Sanjay Kumar , Jha Chandan Kumar , Mishra Saroj Kanta , Mishra Anjali 
Published: October 2019

AbstractBackgroundRemote video consultations are increasingly used in clinical practice, and a lot of data are emerging on its feasibility and acceptability. This study aims to bring out qualitative and quantitative data which will enhance our understanding of strengths and limitations of this media in the setting of a low‐ and middle‐income country (LMIC).Materials and methodsThis was a prospective study conducted from January 2017 to May 2018, at the Department of Endocrine Surgery, Sanjay Gandhi Postgraduate Institute of Medical Sciences (SGPGIMS), Lucknow, India. A total of 107 patients were selected who chose remote follow‐up care through social media (WhatsApp). Data were analyzed on feasibility, clinical safety, satisfaction and economic burden.ResultsA total of 107 postoperative patients were followed up using a social media tool. A total of 396 tele‐sessions were held. The average number of tele‐consultations per patient was 3.7 (range 2–6). Reasons for tele‐follow‐up included: confirmation of histology report (n = 92), medication dosage adjustments (n = 148), wound evaluation (n = 102), reporting of serum TSH and serum calcium levels (n = 296) and medical fitness certificate (n = 13). Wound evaluation through tele‐follow‐up was on par with the outpatient department (OPD) follow‐up as no patient had to report to OPD for wound infection. Satisfaction level was excellent in 55% of patients and very good in 25%. 20% of the patients reported an average satisfaction level. If all of these 107 patients would have come to our OPD follow‐up, they would have traveled 613.2 miles (908 km) per patient on an average, apart from losing work hours. Average cost and workdays saved per visit were $78 and 5.4 days, respectively.ConclusionVideo consultation using social media tools is clinically safe and cost effective. Economic benefits far outweigh the risk of missing an adverse event, especially in the setting of low‐ and middle‐income countries.
Should 68Ga‐DOTATATE PET/CT be Performed Routinely in Patients with Neuroendocrine Tumors Before Surgical Resection?
Authors: Babazadeh Nasim T. , Schlund Devan J. , Cornelius Tyler , Singh Jagadeesh S. , Tierney John F. , Chen Meri , Keutgen Xavier M. 
Published: October 2019

AbstractBackgroundThe only potential cure for neuroendocrine tumors (NETs) is operative resection, which may also offer a survival benefit for advanced disease. We aimed to assess the role of 68Ga‐DOTATATE PET/CT in preoperative planning and compared its performance to CT with IV contrast and MRI with Eovist®, for abdominal NETs.MethodsRecords of patients who underwent 68Ga‐DOTATATE PET/CT in addition to MRI with Eovist® and/or CT with IV contrast were retrospectively evaluated. The effect of imaging findings on surgical management and characteristics of detected lesions were analyzed. Descriptive statistics were used.ResultsOf 21 patients who underwent 68Ga‐DOTATATE PET/CT prior to surgical resection, five (24%) had a change in surgical management due to findings. In three patients, 68Ga‐DOTATATE PET/CT identified the primary tumor. In two patients, 68Ga‐DOTATATE PET/CT helped clarify equivocal hepatic lesions seen on MRI with Eovist®. MRI with Eovist® had the highest number of lesions found (median 13, versus 9 on CT and 9.5 on 68Ga‐DOTATATE PET/CT). DOTATATE‐avid lesions were on average larger than lesions seen only on MRI with Eovist® (1.6 cm versus 0.6 cm, p = 0.0002). The optimal cutoff point for detection by 68Ga‐DOTATATE PET/CT was a size of 0.95 cm, with a sensitivity of 56% and specificity of 98%.ConclusionsPreoperative 68Ga‐DOTATATE PET/CT is useful only in a subset of patients undergoing surgical resection for NETs. MRI with Eovist® is superior at identifying liver metastases when compared to 68Ga‐DOTATATE PET/CT and should therefore be used routinely before hepatic cytoreduction of NETs.
Norm emergence in multiagent systems: a viewpoint paper
Authors: Morris-Martin Andreasa , De Vos Marina , Padget Julian 
Published: October 2019

AbstractNorms are utilised in agent societies to encourage acceptable behaviour by the participating agents. They can be established or revised from the top-down (authority) or from the bottom-up (populace). The study of norm creation from the bottom-up—or norm emergence/convergence—shows evidence of increasing activity. In consequence, we seek to analyse and categorize the approaches proposed in the literature for facilitating norm emergence. This paper makes three contributions to the study of norm emergence. Firstly, we present the different perspectives of norms and their impact on the norm emergence process, with the aim of comparing their similarities and differences in implementing the norm life cycle. Secondly, we identify the characteristics that support norm emergence that are observed in the emergence literature. Finally, we identify and propose future topics for study for the community, through a discussion of the challenges and opportunities in norm emergence.
Predictors affecting myopic regression in − 6.0D to − 10.0D myopia after laser-assisted subepithelial keratomileusis and laser in situ keratomileusis flap creation with femtosecond laser-assisted or mechanical microkeratome-assisted
Authors: Zhou Jihong , Gu Wei , Li Shaowei , Wu Lijuan , Gao Yan , Guo Xiuhua 
Published: October 2019

AbstractPurposeTo investigate the predictive factors of postoperative myopic regression among subjects who have undergone laser-assisted subepithelial keratomileusis (LASEK), laser-assisted in situ keratomileusis (LASIK) flap created with a mechanical microkeratome (MM), and LASIK flap created with a femtosecond laser (FS). All recruited patients had a manifest spherical equivalence (SE) from − 6.0D to − 10.0D myopia.MethodsThis retrospective, observational case series study analyzed outcomes of refraction at 1 day, 1 week, and 1, 3, 6, and 12 months postoperatively. Predictors affecting myopic regression and other covariates were estimated with the Cox proportional hazards model for the three types of surgeries.ResultsThe study enrolled 496 eyes in the LASEK group, 1054 eyes in the FS-LASIK group, and 910 eyes in the MM-LASIK group. At 12 months, from − 6.0D to − 10.0D myopia showed that the survival rates (no myopic regression) were 52.19%, 59.12%, and 58.79% in the MM-LASIK, FS-LASIK, and LASEK groups, respectively. Risk factors for myopic regression included thicker postoperative central corneal thickness (P ≦ 0.01), older age (P ≦ 0.01), aspherical ablation (P = 0.02), and larger transitional zone (TZ) (P = 0.03). Steeper corneal curvature (Kmax) (P = 0.01), thicker preoperative central corneal thickness (P < 0.01), smaller preoperative myopia (P < 0.01), longer duration of myopia (P = 0.02), with contact lens (P < 0.01), and larger optical zone (OZ) (P = 0.02) were protective factors. Among the three groups, the MM-LASIK had the highest risk of postoperative myopic regression (P < 0.01).ConclusionsThe MM-LASIK group experienced the highest myopic regression, followed by the FS-LASIK and LASEK groups. Older age, aspheric ablation used, thicker postoperative central corneal thickness, and enlarging TZ contribute to myopic regression; steeper preoperative corneal curvature (Kmax), longer duration of myopia, with contact lens, thicker preoperative central corneal thickness, lower manifest refraction SE, and enlarging OZ prevent postoperative myopic regression in myopia from − 6.0D to − 10.0D.
Second and third order nonlinear optical, mechanical, surface characteristics of bis(thiourea) manganese chloride (BTMC) grown by slow cooling technique used for frequency conversion applications
Authors: Kubendiran T. , Ravi Kumar S. M. , Allen Moses S. E. , Nasareena Banu A. , Shanthi C. , Sivaraj S. 
Published: October 2019

AbstractA semiorganic nonlinear optical (NLO) single crystal of bis(thiourea) manganese chloride (BTMC) is grown successfully by slow cooling technique using water as solvent at temperature 45 °C. The optically good quality crystal of BTMC was grown with dimension up to 8 × 8 × 2 mm3in a period of 2–3 weeks. The grown crystal crystallizes in orthorhombic crystal system which was confirmed by single crystal X-ray diffraction analysis. The various functional groups of BTMC were identified through FT-IR spectroscopic analysis. The lower cut-off wavelength of 280 nm was revealed from optical transmittance spectrum of UV. The mechanical behavior of BTMC crystal was analyzed by Vicker’s microhardness study and also the various mechanical parameters were determined. Vickers micro hardness test revealed, the titular crystal belongs to harder material category. The SHG efficiency is estimated from Kurtz-Perry powder method and it found to be 0.33 times than the reference material. The dielectric behavior, photo conducting nature and surface properties have been analyzed for grown BTMC crystal. The presence of synthesized elements was confirmed by EDAX study. The third order nonlinear optical susceptibility$$\chi^{\left(3 \right)}$$χ3of the material is measured using Z-scan technique and it is found to be 5.1202 × 10−14esu.
Optimization of CCT Equations Using Calculated Grain Boundary Soluble Compositions for the Simulation of Austenite Decomposition of Steels
Authors: Miettinen Jyrki , Koskenniska Sami , Somani Mahesh , Louhenkilpi Seppo , Pohjonen Aarne , Larkiola Jari , Kömi Jukka 
Published: October 2019

Abstract
New CCT equations have been developed and optimized to simulate the start temperatures of the austenite decomposition process in low-alloyed steels using experimental CCT data published in the literature. Exceptionally, this optimization does not apply the nominal compositions of the steels, but the corresponding soluble compositions of the grain boundaries calculated using IDS software, depending on the reported austenitization treatments of the steels. These compositions, rather than the nominal ones, are expected to control the start of the austenite decomposition, which usually initiates at the grain boundaries. The new optimization treatment takes into account the solute microsegregation and the possible precipitate formation. Using IDS software, the new equations were validated with new experimental CCT data. Agreement was good not only for the austenite decomposition start temperatures, but also for the final phase fractions, indicating fairly reasonable predictions of phase transformation kinetics by the IDS. In addition, IDS simulations were compared with the experimental CCT data of five high-carbon steels, applying both the new equations based on grain boundary soluble compositions as well as the equations based on the nominal compositions. With the same experimental CCT data used in optimization, better agreement was obtained with the new equations, indicating the importance of determining the soluble compositions at the grain boundaries where the austenite decomposition process is likely to begin.
A preliminary pollution appraisal of western backwater at Karachi Coastal area
Authors: Alamgir Aamir , Fatima Noor , Khan Moazzam Ali , Rehman Muttiur , Shaukat Syed Shahid 
Published: October 2019

AbstractThis study aims at preliminary analysis of pollution profile of western backwater. The site is very important from the ecological perspective. The mangrove ecosystem of the study area is of prime significance, whilst the study area is receiving heavy pollution load from Lyari River. The water samples were collected from the pre-designated locations and analyzed for physical and biochemical characteristics. The BOD and COD concentrations of the samples were extremely higher from the environmental and ecological viewpoint. The heavy inorganic and organic load is coming from the domestic and industrial effluents coming from Lyari River. Oil and grease concentrations were also extremely higher in all these sites indicating the hampering of natural purification system of water. The concentration of phenol also indicates the emptying of industrial effluent at the Lyari River outfall. The heavy influx of the nutrients in the form of nitrogen and phosphate represents the problem of eutrophication at the study area. Out of all 7 sites, L-7 was most polluted as it was closed to the Lyari River outfall. The extent of pollution is at the following order L-7 > L-5 > L-6 > L-4 > L-3 > L-2 > L-1.
Modal identification of localised damage in beams and trusses: experimental and numerical results
Authors: Diaferio Mariella , Sepe Vincenzo , Bellizzotti Gabriele 
Published: October 2019

AbstractThe paper discusses the possibility of detecting local damages in complex structures typical of civil engineering, as multispan beams and trusses. Namely, it describes a procedure to identify localised cracks in structures in the elastic range of behaviour using only the values of natural frequencies in the intact configuration and in the damaged one evaluated by means of dynamic tests. The error minimisation procedure described in the paper selects the solution within a set of finite element models that simulate a range of positions and levels of damage, by identifying the damaged configuration as the one whose modal frequencies minimise the least-square difference with the measured data. The accuracy of the method is first investigated by applying it to the damage detection of a two-span steel beam, whose modal frequencies were obtained by means of experimental tests. To explore the accuracy of the proposed procedure, numerically simulated data with random noise were also generated for several positions and levels of damage and for different values of the random noise. The procedure was then extended, by means of numerical simulations, to the case of a beam with two localised damages. Finally, the procedure proposed for multispan beams is adapted to the damage identification of plane truss structures.