bluuebunny/crossref_metadata_2025_split huggingface dataset:
Killing two bugs with one stone: a perspective for targeting multiple pest species by incorporating reproductive interference into sterile insect technique
Authors: Honma Atsushi , Kumano Norikuni , Noriyuki Suzuki 
Published: September 2018

AbstractThe sterile insect technique is an environmentally friendly method to control and even eradicate agricultural and veterinary insect pests without using chemical pesticides in excess. However, the continuous production and release of sterile insects is economically costly and eradication programs using sterile insects have not always been successful owing to the incomplete mating ability of the sterile insects. Here we focus on the theory and empirical findings of interspecific negative mating interaction, known as reproductive interference, to develop a more cost‐effective and value‐added pest management program. We suggest that sterile insects can be used for simultaneous control of both wild‐type conspecifics and closely related pest species by taking advantage of the fact that, when species recognition abilities are incomplete, courtship and mating are often misdirected toward heterospecies. This new approach might help mitigate economic damage and human health crises caused by pest insects. © 2018 Society of Chemical Industry
Heme FeSO2− intermediates in sulfite reduction: Contrasts with FeOO2− species from oxygen–oxygen bond activating systems
Authors: Surducan Mihai , Brânzanic Adrian M.V. , Silaghi‐Dumitrescu Radu 
Published: September 2018

AbstractSulfite reductase (SiR) catalyzes a six electron and six proton reduction of sulfite to sulfide. Similarly to the cytochrome P450 (cytP450) family, the active site in SiR contains a (partially reduced) heme bound axially to a cysteinate ligand—though with an extra Fe4S4 cluster. Fe(III)SO2−, Fe(III)SOH−, and Fe(III)SO(H2) intermediates have been proposed for the catalytic cycle of SiR, leading to a formally Fe(V)S species—akin to the widely accepted reaction mechanism in cytP450. Here, density functional theory (DFT) data is reported for of such FeSO(H2) intermediates. The Fe(III)SO2− models display relatively high energies for homolytic bond breaking compared to their isomeric oxygen‐bound Fe(III)OS2− models, and thus offer a better alternative in terms of avoiding radical side products able to induce enzyme suicide. This could be due to the fact that the (iron‐bound) sulfur is more active from a redox standpoint compared to oxygen, thus permitting the departing oxygen to maintain a redox‐inert state. Di‐protonation of the oxygen is computed to lead to a compound I type Fe(IV)S coupled to a porphyrin radical anion—consistent with an intermediate previously observed by x‐ray crystallography.
Studying the fragmentation mechanism of selected components present in crude oil by collision‐induced dissociation mass spectrometry
Authors: Vetere Alessandro , Alachraf M. Wasim , Panda Saroj K. , Andersson Jan T. , Schrader Wolfgang 
Published: September 2018

RationaleStructural characterization of individual compounds in very complex mixtures is difficult to achieve. One important step in structural elucidation is understanding the mass spectrometric fragmentation mechanisms of the compounds present in such mixtures. Here, different individual compounds presumed to be present in a complex crude oil mixture have been synthesized and structurally characterized by tandem mass spectrometry (MS/MS) studies.MethodsModel compounds with different aromatic cores and various substitutents were synthesized. Major effort has been put into producing isomerically pure compounds to better understand the fragmentation pattern. Each synthesized compound has been subjected to MSn studies using either a triple quadrupole or a linear ion trap mass spectrometer with electrospray or atmospheric pressure photoionization. The results are used to analyze individual compounds from a complex vacuum gas oil (VGO).ResultsThe synthesized compounds and a chromatographically simplified vacuum gas oil were used for structural analysis. The major fragmentation mechanism is the benzylic cleavage of the aliphatic side chain. Each side chain can be separately removed from the aromatic core by using MSn methods. At the end of a series of fragmentations, the base aromatic core structure remains and can be chararcterized.ConclusionsBy defining the fragmentation mechanism in complex oil samples it was possible to structurally characterize individual compounds present in a chromatographically simplified VGO. The compounds consist of an aromatic core with aliphatic side chains. Cleavage of all side chains can be achieved by MSn measurements, allowing characterization of the remaining core structure.
Formic Acid Electrooxidation on Platinum, Resolution of the Kinetic Mechanism in Steady State and Evaluation of the Kinetic Constants
Authors: Gennero de Chialvo María R. , Luque Gisela C. , Chialvo Abel C. 
Published: September 2018

AbstractA kinetic mechanism recently proposed for the formic acid oxidation (FAO) on platinum in acid solutions was analytically solved in order to verify its capability to correlate experimental measurements in steady state conditions. It involves three adsorbed reaction intermediates (COad, HCOOad, OHad) and two reaction pathways. The derived kinetic equations enabled the fitting of the experimental current‐potential curves at three different formic acid concentrations, as well as the evaluation of the corresponding kinetic constants of the elementary steps involved in the mechanism. An expression for the variation of the COad surface coverage on potential was included in the calculations, obtained from measurements of the oxidation charges by voltammetric stripping. Finally, the dependences of the surface coverages of OHad and HCOOad on potential could be simulated, which are consistent with results obtained by other authors through spectroscopic techniques.
HCI in practice: An empirical study with software process capability maturity model consultants in Brazil
Authors: Guidini Gonçalves Taisa , Marçal de Oliveira Káthia , Kolski Christophe 
Published: September 2018

AbstractHuman‐computer interaction (HCI) and software engineering (SE) are undoubtedly important domains for the development of interactive systems. The quality of an interactive system is usually considered dependent on the user interface design and evaluation, which implies the use of HCI and SE approaches on the adequate software process. With the wide use of software process capability maturity (SPCM) models in the industry and their role of proposing best practices for software development and maintenance, some questions come up: To what extent are HCI approaches known and used to develop interactive systems? What is their level of use compared to SE approaches? To answer these questions, we conducted an empirical study in the Brazilian industry. Thirty‐six official consultants for the 2 SPCM models used in Brazil (CMMI‐DEV and MR‐MPS‐SW) provided us with their perception of knowledge and use concerning a set of predefined categories of approaches for HCI and SE that support the engineering practices of those SPCM models. By using a paired t test, we concluded that consultants of those models do not know and do not use HCI approaches as well as they know and use SE approaches. Moreover, they know little about HCI approaches, which may justify their poor use.
Structural characterization and quantitative determination of bioactive compounds in ethanolic extracts of Boerhaavia diffusa L. by liquid chromatography with tandem mass spectrometry
Authors: Kumar Sunil , Singh Awantika , Singh Bikarma , Maurya Rakesh , Kumar Brijesh 
Published: September 2018

AbstractRapid and sensitive liquid chromatography with tandem mass spectrometry methods were developed for structural characterization and quantitative determination of bioactive compounds in Boerhaavia diffusa using high‐performance liquid chromatography with electrospray ionization quadrupole time‐of‐flight tandem mass spectrometry and ultra high performance liquid chromatography with electrospray ionization hybrid triple quadrupole‐linear ion trap tandem mass spectrometry in negative ionization mode. Fifty seven compounds were identified and characterized in ethanolic extracts of root, stem and leaf of B. diffusa. Ten compounds that include characteristic compounds eupalitin‐3‐O‐galactopyranoside, eupalitin, and boeravinone B were successfully separated on an Acquity UPLC BEH™ C18 column (1.7 μm, 2.1 mm × 50 mm) within 6 min. The validation parameters showed satisfactory linearities (R2 ≥ 0.9991), accuracy (limit of detection: 0.01–1.40 ng mL−1 and limit of quantitation: 0.05–4.26 ng mL−1) and precision (% relative standard deviation: 0.25–3.45 for intra‐day, and 0.26–3.25 for inter‐day), stability (% relative standard deviation: 0.16–1.87) and recoveries with relative standard deviation (98.67–104.16, % relative standard deviation: 0.20–4.06). Eupalitin‐3‐O‐galactopyranoside (18530.00 μg g−1) was one of the most abundant among the quantified compounds followed by eupalitin (1258.00 μg g−1) in leaf of Samba district. The developed methods could be effectively used for quality control of B. diffusa due to its accuracy, stability, and repeatability.
Social science perspectives on drivers of and responses to global climate change
Authors: Jorgenson Andrew K. , Fiske Shirley , Hubacek Klaus , Li Jia , McGovern Tom , Rick Torben , Schor Juliet B. , Solecki William , York Richard , Zycherman Ariela 
Published: September 2018

This article provides a review of recent anthropological, archeological, geographical, and sociological research on anthropogenic drivers of climate change, with a particular focus on drivers of carbon emissions, mitigation and adaptation. The four disciplines emphasize cultural, economic, geographic, historical, political, and social‐structural factors to be important drivers of and responses to climate change. Each of these disciplines has unique perspectives and makes noteworthy contributions to our shared understanding of anthropogenic drivers, but they also complement one another and contribute to integrated, multidisciplinary frameworks. The article begins with discussions of research on temporal dimensions of human drivers of carbon emissions, highlighting interactions between long‐term and near‐term drivers. Next, descriptions of the disciplines' contributions to the understanding of mitigation and adaptation are provided. It concludes with a summary of key lessons offered by the four disciplines as well as suggestions for future research.This article is categorized under:Climate Economics > Economics and Climate Change
Perspective on computational simulations of glycosaminoglycans
Authors: Nagarajan Balaji , Sankaranarayanan Nehru Viji , Desai Umesh R. 
Published: September 2018

Glycosaminoglycans (GAGs) represent a formidable frontier for chemists, biochemists, biologists, medicinal chemists, and drug delivery specialists because of massive structural complexity. GAGs are arguably the most complex, natural linear biopolymers with theoretical diversity orders of magnitude higher than proteins and nucleic acids. Yet, this diversity remains generally untapped. Computational approaches offer major routes to understand GAG structure and dynamics so as to enable novel applications of these biopolymers. In fact, computational algorithms, softwares, online tools, and techniques have reached a level of sophistication that help understand atomistic details of conformational variation and protein recognition of individual GAG sequences. This review describes current approaches and challenges in computational study of GAGs. It presents a history of major findings since the earliest mention of GAGs (the 1960s), the development of parameters and force fields specific for GAGs, and the application of these tools in understanding GAG structure–function relationship. This review also presents a section on how to perform simulation of GAGs, which is directed toward researchers interested in entering this promising field with potential to impact therapy.This article is categorized under:
Structure and Mechanism > Computational Biochemistry and Biophysics
Molecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo Methods
Structure and Mechanism > Molecular Structures
Conceptual jacket design by structural optimization
Authors: Sandal Kasper , Verbart Alexander , Stolpe Mathias 
Published: September 2018

AbstractWe present an approach for sizing optimization of jacket structures and apply it to investigate the conceptual design of jackets for offshore wind turbines. Conceptual design is an input to early structural and financial models, and we assume simplified analysis and load models. A four‐legged jacket for the DTU 10‐MW wind turbine in 50‐m water depth is modelled by Timoshenko beam finite elements, and the structural dimensions of the beam cross sections are considered as continuous design variables. A structural optimization problem is formulated to minimize the jacket mass, with constraints on fatigue and ultimate limit states. The optimal design problem is then used to investigate how the optimized mass depends on the number of bays and the jacket leg distance. The conceptual design investigation led to a new conceptual design with 14% lower mass compared with the original conceptual design. We conclude that structural optimization can provide useful insights in the conceptual design phase and lead to a better starting point for the further design and planning processes.
Fractional‐order sliding mode control for hybrid drive wind power generation system with disturbances in the grid
Authors: Rui Xiaoming , Yin Wenliang , Dong Yongxing , Lin Lanlan , Wu Xin 
Published: September 2018

AbstractThe proposal of hybrid drive grid‐connected wind turbine based on speed regulating differential mechanism (SRDM) has been made in this paper to generate constant‐frequency power without fully‐ or partially‐rated frequency converters so as well improve electric power quality. However, disturbances in the power grid including sudden load fluctuation and sub‐synchronous resonance (SSR) can lead to the pulsating torque to act on the shaft section between SG and exciter at the main generator collector, such that the speed regulating accuracy of SRDM is seriously affected. As a result, this paper synthesizes a new‐type fractional‐order sliding mode controller (FOSMC) with a load torque observer (LTO) for the high‐accuracy speed control of permanent magnet synchronous motor (PMSM) in SRDM. Taking advantage of ridge regression algorithm, related parameters including rotational inertia and viscous friction coefficient of speed regulating system are calculated accurately. Finally, comparative experiments are carried out under four cases of mean of 5, 10, 13, and 21 m/s wind speeds to verify the satisfactory performances of designed FOSMC with LTO. Comparative experimental results show that FOSMC with LTO can effectively eliminate undesirable chattering effect. Additionally, under operating conditions of changing wind speeds, SSR, and sudden load fluctuation in power grid, the output speed of SRDM that corresponds directly to the frequency output of SG can be steadily and accurately regulated by using proposed control scheme. SRDM equipped with designed controller enables the power frequency to meet the National Standard of PR China perfectly.
Meta-analysis of short- and long-term outcomes after pure laparoscopic versus open liver surgery in hepatocellular carcinoma patients
Authors: Witowski Jan , Rubinkiewicz Mateusz , Mizera Magdalena , Wysocki Michał , Gajewska Natalia , Sitkowski Mateusz , Małczak Piotr , Major Piotr , Budzyński Andrzej , Pędziwiatr Michał 
Published: September 2018

Abstract
Background
The advantages of laparoscopy are widely known. Nevertheless, its legitimacy in liver surgery is often questioned because of the uncertain value associated with minimally invasive methods. Our main goal was to compare the outcomes of pure laparoscopic (LLR) and open liver resection (OLR) in patients with hepatocellular carcinoma.

Methods
We searched EMBASE, MEDLINE, Web of Science, and The Cochrane Library databases to find eligible studies. The most recent search was performed on December 1, 2017. Studies were regarded as suitable if they reported morbidity in patients undergoing LLR versus OLR. Extracted data were pooled and subsequently used in a meta-analysis with a random-effects model. Clinical applicability of results was evaluated using predictive intervals. Review was reported following the PRISMA guidelines.

Results
From 2085 articles, forty-three studies (N = 5100 patients) were included in the meta-analysis. Our findings showed that LLR had lower overall morbidity than OLR (15.59% vs. 29.88%, p < 0.001). Moreover, major morbidity was reduced in the LLR group (3.78% vs. 8.69%, p < 0.001). There were no differences between groups in terms of mortality (1.58% vs. 2.96%, p = 0.05) and both 3- and 5-year overall survival (68.97% vs. 68.12%, p = 0.41) and disease-free survival (46.57% vs. 44.84%, p = 0.46).

Conclusions
The meta-analysis showed that LLR is beneficial in terms of overall morbidity and non-procedure-specific complications. That being said, these results are based on non-randomized trials. For these reasons, we are calling for randomization in upcoming studies. Systematic review registration: PROSPERO registration number CRD42018084576.
Research involvement and obstacles among trainees enrolled in a pediatric residency program in Saudi Arabia
Authors: AlSohime Fahad 
Published: September 2018

Objective:
This study aimed to investigate pediatric residents' involvement in research and their attitudes toward potential barriers to conducting research.

Methods:
This cross-sectional survey was conducted in February 2017 and targeted residents enrolled in the Saudi Pediatric Residency Program. An online self-administered questionnaire was designed to assess residents' involvement in different domains of scholarly activity and their perception of barriers to research. All items used a five-point Likert-type scale with response options varying depending on the question. The relative importance index (RII) approach was used to analyze the relative contribution of each indicator to its main theme.

Results:
A total of 314 pediatric residents agreed to complete the survey. Of these, 168 (53.5%) were female. Residents rated their involvement in all aspects of research as low. The top-ranked item was residents' participation in data collection for research (mean [standard deviation, SD] rating, 2.74 [1.3]; RII, 54.2%), followed by residents' participation in a structured literature review of a topic (mean [SD] rating, 2.6 [1.3]; RII, 52.1%). The lowest-rated items were residents' involvement in manuscript writing (mean [SD] rating, 2.3 [1.24]; RII, 46.1%) and their participation in statistical analysis (mean [SD] rating, 1.23 [1.21]; RII, 44.5%). The residents ranked the lack of dedicated time as the most significant barrier to their participation in scholarly activities (mean [SD] rating, 3.44 [1.3]; RII, 68.83%). Conversely, they ranked the lack of interest as the lowest barrier to research participation (mean [SD] rating, 2.85 [1.2]; RII, 56.96%)

Conclusion:
Overall, pediatric residents rated their involvement in all aspects of research as low, especially in manuscript writing and statistical analysis. These findings suggest the need to provide support for the development of a mentoring program as well as to develop a robust and longitudinal research curriculum for the pediatric residency program to encourage the involvement of trainees in research.
The cost of managing complex surgical site infections following primary hip and knee arthroplasty: A population-based cohort study in Alberta, Canada
Authors: Rennert-May Elissa D. , Conly John , Smith Stephanie , Puloski Shannon , Henderson Elizabeth , Au Flora , Manns Braden 
Published: September 2018

AbstractObjectiveNearly 800,000 primary hip and knee arthroplasty procedures are performed annually in North America. Approximately 1% of these are complicated by a complex surgical site infection (SSI), leading to very high healthcare costs. However, population-based studies to properly estimate the economic burden are lacking. We aimed to address this knowledge gap.DesignEconomic burden study.MethodsUsing administrative health and clinical databases, we created a cohort of all patients in Alberta, Canada, who received a primary hip or knee arthroplasty between April 1, 2012, and March 31, 2015. All patients who developed a complex SSI postoperatively were identified through a provincial infection prevention and control database. A combination of corporate microcosting data and gross costing methods were used to determine total mean 12- and 24-month costs, enabling comparison of costs between the infected and noninfected patients.ResultsMean 12-month total costs were significantly greater in patients who developed a complex SSI compared to those who did not (CAD$95,321 [US$68,150] vs CAD$19,893 [US$14,223];P< .001). The magnitude of the cost difference persisted even after controlling for underlying patient factors. The most commonly identified causative pathogen (38%) wasStaphylococcus aureus(95% MSSA).ConclusionsComplex SSIs following hip and knee arthroplasty lead to high healthcare costs, which are expected to rise as the yearly number of surgeries increases. Using our costing estimates, the cost-effectiveness of different strategies to prevent SSIs should be investigated.
Bomb Peak: Radiocarbon Dating of Skeletal Remains in Routine Forensic Medical Practice
Authors: Handlos Petr , Svetlik Ivo , Horáčková Ladislava , Fejgl Michal , Kotik Lukas , Brychová Veronika , Megisová Natália , Marecová Klára 
Published: September 2018

ABSTRACTWhen human remains are found, apart from helping explain the cause of death and determining the extent of any injuries, forensic pathologists are usually requested to determine the identity of the deceased and how much time has elapsed since his death. In the Czech Republic, the criminal liability for murder is set to a statute of limitations of 20 years. In our pilot study, tissue samples of human remains from two decedents were radiocarbon (14C) dated to estimate the date of death. In agreement with published literature, we have confirmed relatively short carbon turnover time in hair, nail, and bone fat. Therefore these samples are the most appropriate for determining date of death. Other samples, such as teeth (collagen and carbonate form) and collagen isolated from bone samples, which exhibit relatively long carbon turnover time, can be used to reduce ambiguity of dating results and to indicate some interfering influences. Given the possibility of processing multiple sample types, we also propose brief guidelines for comparing and interpreting the results of individual analyses.