bluuebunny/crossref_metadata_2025_split huggingface dataset:
Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease
Authors: Galasiti Kankanamalage Anushka C. , Weerawarna Pathum M. , Rathnayake Athri D. , Kim Yunjeong , Mehzabeen Nurjahan , Battaile Kevin P. , Lovell Scott , Chang Kyeong‐Ok , Groutas William C. 
Published: March 2019

AbstractHuman noroviruses are the primary cause of outbreaks of acute gastroenteritis worldwide. The problem is further compounded by the current lack of norovirus‐specific antivirals or vaccines. Noroviruses have a single‐stranded, positive sense 7 to 8 kb RNA genome which encodes a polyprotein precursor that is processed by a virus‐encoded 3C‐like cysteine protease (NV 3CLpro) to generate at least six mature nonstructural proteins. Processing of the polyprotein is essential for virus replication, consequently, NV 3CLpro has emerged as an attractive target for the discovery of norovirus therapeutics and prophylactics. We have recently described the structure‐based design of macrocyclic transition state inhibitors of NV 3CLpro. In order to gain insight and understanding into the interaction of macrocyclic inhibitors with the enzyme, as well as probe the effect of ring size on pharmacological activity and cellular permeability, additional macrocyclic inhibitors were synthesized and high resolution cocrystal structures determined. The results of our studies tentatively suggest that the macrocyclic scaffold may hamper optimal binding to the active site by impeding concerted cross‐talk between the S2 and S4 subsites.
Synthesis of Sawdust‐based Poly(amidoxime) Ligand for Heavy Metals Removal from Wastewater
Authors: Jianfui Choong , Sarjadi Mohd Sani , Musta Baba , Sarkar Md Shaheen , Rahman Md Lutfor 
Published: March 2019

AbstractIn this study, a copolymer sawdust‐graft‐poly(acrylonitrile) was synthesized by free‐radical initiation reaction and followed by amidoximation reaction with hydroxylamine under alkaline conditions converted into the poly(amidoxime) ligand. The functional group, compositions, and morphology of the resulting synthesized ligand and copolymer were identified by Fourier transform infrared spectroscopy, scanning electron microscopy and elemental analysis. The poly(amidoxime) ligand was utilized for heavy metal removal from aqueous solution. The synthesized polymeric ligand demonstrated a high affinity for adsorption capacity for copper and iron was 265.5 and 270.1 mg g‐1, respectively. The strong adsorption capacity for lead, zinc, and cobalt were 121.2, 161.7 and 165.4 mg g‐1, respectively. The adsorption data was excellently expressed by the Langmuir isotherm model (R2 >0.98) rather than Freundlich. It is suggesting that the surface of ligand is monolayer and homogeneous. The kinetic data have been determined by the first and second order. However, pseudo‐second‐order rate equation was well fit to the presented data. In wastewater purification process, poly(amidoxime) ligand was well removal multiple metal ions that present in the wastewater and the efficiency of removal was reached to 98.78% for copper and 99.14% iron and 90.92% for lead and 92.73% for zinc.
Boron Nitride Quantum Dots Derived from Renewable Lignin
Authors: Zhao Hongran , Ding Jiheng , Ji Dong , Xu Beiyu , Yu Haibin 
Published: March 2019

AbstractAlthough numerous attempts have been reported, however, efficient and facile approach about the preparation of boron nitride quantum dots (BNQDs) is yet to be explored. Here we have developed a biomass‐directed suitable strategy from steam exploded rice straw lignin (SERSL) toward mass production of high‐quality BNQDs with quantum yields (QY) as high as 18.2%. Few‐layered BNQDs have a mean lateral size of several nanometers and a thickness ranging from 0.5 nm to 2 nm as confirmed by transmission electron microscopy (TEM) and atomic force microscope (AFM). The BNQDs as‐prepared emit bright and stable blue colors of luminescence under ultraviolet‐light excitation. In addition, the BNQDs also exhibit low cytotoxicity and excellent cellular imaging capability. We believe that these BNQDs probably trigger potentially applications on lightemitting diodes and bioimaging in a green way.
A Click Strategy for the Synthesis of Fluorescent Pyrimidinone‐Triazole Hybrids with CDK2 Selectivity in HeLa and A549 Cell Lines
Authors: Shamsiya Aranhikkal , Damodaran Bahulayan 
Published: March 2019

AbstractConcise synthesis of a series of fluorescent pyrimidinone‐triazole hybrids is described. All the synthesized compounds were evaluated for their CDK2 binding affinity based on molecular docking and found to be moderately high score. The molecular docking results were experimentally validated by cytotoxicity evaluation against human cervical cancer cell line HeLa cells and western blot analysis. This new class of CDK2 inhibitors could be promising leads for further drug development as anticancer agents. The molecules also showed fluorescence emission with Stokes shift values up to 187 nm.
8‐Hydroxyquinoline‐Methionine Mixed Ligands Metal Complexes: Preparation and Their Antioxidant Activity
Authors: Qamar Noshab , Sultan Hira , Khan Khalid Mohammed , Azmat Rafia , Naz Raheela , Hameed Abdul , Lateef Mehreen 
Published: March 2019

AbstractThe purpose of this investigation is to synthesize mixed ligand complexes of first, second, and third row transition metals including Cr (III), Mn (II), Fe (III), Co (II), Ni (II), Cu (II), Zn (II), Cd (II) and Pb (II) with L1 = 8‐hydroxyquinoline and L2 = DL‐methionine. Newly synthesized metal complexes have been characterized by UV‐Visible, IR, mass spectrometry and micro‐analytical techniques such as conductance measurement, elemental analysis, and melting point. Synthetic mixed complexes were also screened for antioxidant activity.
Template‐Free Synthesis of Mesoporous Tungsten Oxide Nanostructures and Its Application in Photocatalysis and Adsorption Reactions
Authors: Farjood Mehrdad , Zanjanchi M. A. 
Published: March 2019

AbstractThe template‐free synthesis of mesoporous tungsten oxide nanostructure (WO3) via a hydrothermal process is reported in this contribution. The structural properties were characterized by X‐ray diffraction (XRD), FT‐IR, scanning electron microscopy (SEM), Transmission electron microscopy (TEM), energy‐dispersive X‐ray spectroscopy (EDS), N2‐adsorption‐desorption analysis (BJH), differential scanning calorimetry (DSC) measurement. It was found that the prepared WO3 possesses a pore diameter about 19 nm and a surface area 67 m2/g. This compound is converted from hexagonal crystalline phase to a triclinic one when heated at the temperatures higher than 250 °C. The photocatalytic activity of WO3 was inspected during the degradation of methylene blue under the irradiation of visible‐light in presence of hydrogen peroxide. Our findings showed that the hexagonal WO3 bare considerably higher photocatalytic activity compared to that of the commercial and the triclinic ones. Therefore, the crystalline phase of WO3 has an obvious effect on its photocatalytic performance. The hexagonal WO3 is capable to adsorb a high concentration of MB within in very short time too.
Design of Exceptional Strong Organosuperbases Based on Iminophosphorane and Azaphosphiridine Derivatives: Harnessing Ring Strain and Aromaticity to Engineer Neutral Superbases
Authors: Saeidian Hamid , Barfinejad Ehsan 
Published: March 2019

AbstractA new class of non‐ionic organosuperbases was designed using iminophosphorane and azaphosphiridine frameworks, and their gas phase proton affinity (PA) and gas phase basicity (GB) were assessed by using density functional theory computations. The utilized strategy for tailoring the organosuperbases is based on stimulating of ring opening upon protonation bearing substituents which have the ability of positive charge delocalization. After protonation, most of the superbases formed positive aromatic rings (C3H3+ and C7H7+). This strategy led to the design of organobases with exceptional basicity in the range of 1013–1317 kJ mol−1. Five designed organosuperbases show the PA values >1254 kJ mol−1, above the range of a hyperbase. To better comprehend the basicity of the compounds, the aromaticity indices (NICS and HOMA data) associated with the organosuperbases and their corresponding conjugate acids have been calculated and compared with each other.
The effect of perceived appearance judgements on psychological and biological stress processes across adulthood
Authors: Sabik Natalie J. , Geiger Ashley M. , Thoma Myriam V. , Gianferante Danielle , Rohleder Nicolas , Wolf Jutta M. 
Published: March 2019

AbstractSocial self‐preservation theory posits that stress is experienced when an aspect of an individual's identity has the potential to be negatively evaluated. Appearance is a central part of identity; however, little research has examined whether perceived appearance judgements are a source of social‐evaluative stress. In addition, stress may be an explanatory link in the association between appearance perceptions and depressive symptoms. This study examined whether perceived appearance judgements were associated with increased stress and greater depressive symptoms among adults. Study 1 examined the associations between self‐reported appearance judgements and cortisol stress responses in response to a laboratory stressor (Trier Social Stress Test) among 71 individuals aged 18–65. Study 2 assessed self‐reported appearance judgements and depressive symptoms among 498 adults ages 18–65 via an online survey data collection. Appearance judgement was associated with a stronger cortisol response, higher self‐reported stress, and greater depressive symptoms. Stress mediated all associations between appearance judgements and depressive symptoms and neither age nor gender moderated these associations. The findings suggest that appearance judgements contribute to psychological and biological stress processes and demonstrated that stress mediated the association between appearance judgements and depressive symptoms.
Workplace telepressure and work–life balance outcomes: The role of work recovery experiences
Authors: Barber Larissa K. , Conlin Amanda L. , Santuzzi Alecia M. 
Published: March 2019

AbstractWorkplace technology has posed some challenges to worker well‐being. This research examined how workplace telepressure—a preoccupation and urge to respond quickly to message‐based communications—is related to work life balance evaluations, as well as how work recovery experiences might explain this relationship. Using an online survey design, Study 1 (N = 254) and Study 2 (N = 409) demonstrated that employees' workplace telepressure negatively related to satisfaction with work–life balance. Study 1 showed that psychological detachment may explain the relationship between workplace telepressure and satisfaction with work–life balance. In Study 2, psychological detachment and control over leisure time explained the relationship between workplace telepressure and global evaluations of work–life balance (satisfaction and effectiveness). Mastery and control experiences explained the relationship between workplace telepressure and work–family enrichment. Lastly, three recovery mechanisms (detachment, relaxation, and control) explained the link between workplace telepressure and work–family conflict. The evidence suggests that workplace telepressure is negatively associated with various employee evaluations of work–life balance, but the role of recovery experiences may depend on how work–life balance is measured.
Estimation of liquid sterilization using critical voltage under high electric field pulses
Authors: Sato Takunao , Murakami Yuichi , Muramoto Yuji 
Published: March 2019

Our article compared the survival ratio obtained using experiments with that calculated using a sterilization mechanism model. We applied high‐voltage pulses to
Escherichia coli
in 1 × 10−3 mol/l NaCl aqueous solutions and estimated the survival ratio in a model of high electric field pulse sterilization. The results show that the survival ratios of
E. coli
decrease with increasing number of pulses, electric field intensity, pulse width, and sample temperature. The experimental results for the survival ratio showed good agreement with values calculated using the sterilization mechanism model. Our study shows that the survival ratio of
E. coli
can be estimated using high electric field pulses. © 2019 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Analytical analysis of the bifurcation behavior of creep groan
Authors: Zhao Xingwei , Gräbner Nils , von Wagner Utz , Hetzler Hartmut 
Published: March 2019

AbstractCreep groan is one of the low frequency vibration phenomena, which can be observed in automotive disk brakes at low driving speeds [1]. In order to study fundamental mechanisms of creep groan, a model with bristle friction law was set up, for which the bifurcation behavior was studied numerically. A corresponding map reflecting regions with qualitatively different behavior was obtained and compared with experimental results [9–11]. In the work described in this paper, an analytical study based on an approach presented in [13, 14] is proposed as an alternative way to map the bifurcation behavior. The corresponding nonlinear model shows that the system may have three different parameter regions with different types of asymptotically stable solutions, i.e. an equilibrium solution, a stick‐slip limit cycle, and coexistence of them. The stick‐slip limit cycle can be interpreted as the origin of creep groan in a vehicle while the equilibrium solution is the desired non‐vibrating solution. As the regions reflect the risk of generation of creep groan, it can be used to evaluate the robustness of brake systems against creep groan. The analytical study is verified by experimental results.
Advances in engineered trans-acting regulatory RNAs and their application in bacterial genome engineering
Authors: Ahmed Waqas , Hafeez Mian Abdul , Ahmed Rais 
Published: March 2019

Abstract
Small noncoding RNAs, a large class of ancient posttranscriptional regulators, are increasingly recognized and utilized as key modulators of gene expression in a broad range of microorganisms. Owing to their small molecular size and the central role of Watson–Crick base pairing in defining their interactions, structure and function, numerous diverse types of trans-acting RNA regulators that are functional at the DNA, mRNA and protein levels have been experimentally characterized. It has become increasingly clear that most small RNAs play critical regulatory roles in many processes and are, therefore, considered to be powerful tools for genetic engineering and synthetic biology. The trans-acting regulatory RNAs accelerate this ability to establish potential framework for genetic engineering and genome-scale engineering, which allows RNA structure characterization, easier to design and model compared to DNA or protein-based systems. In this review, we summarize recent advances in engineered trans-acting regulatory RNAs that are used in bacterial genome-scale engineering and in novel cellular capabilities as well as their implementation in wide range of biotechnological, biological and medical applications.
Violations of dominance in decision-making
Authors: Kourouxous Thomas , Bauer Thomas 
Published: March 2019

AbstractA key premise underlying most of the economic literature is that rational decision-makers will choose dominant strategies over dominated alternatives. However, prior literature in various disciplines including business, psychology, and economics document a series of phenomena associated with violations of the dominance principle in decision-making. In this comprehensive review, we discuss conditions under which people violate the dominance principle in decision-making. When presenting violations of dominance in empirical and experimental studies, we differentiate between absolute, statewise, and stochastic (first- and second-order) violations of dominance. Furthermore, we categorize the literature by the leading causes for dominance violations: framing, reference points, certainty effects, bounded rationality, and emotional responses.
Semi-analytical flash temperature model for thermoplastic polymer spur gears with consideration of linear thermo-mechanical material characteristics
Authors: Černe Borut , Duhovnik Jože , Tavčar Jože 
Published: March 2019

AbstractThe temperature increase that occurs during running of a polymer gear pair can be divided into two components: the nominal and flash temperatures. The latter denotes the short-term temperature increase that takes place during a gear meshing cycle. A thorough analysis of the flash temperature yields an insight into the heat dissipation process, which also determines the nominal temperature increase. We focus here on the flash component using numerical and analytical computation tools, with which we can obtain realistic predictions of the temperature increase during a gear meshing cycle. The analysis is performed using a decoupled procedure that involves a mechanical finite element analysis, followed by a semi-analytical temperature evaluation method based on the computed mechanical response of the system. With it, we obtain an improved flash temperature model that offers an accurate representation of the real life thermo-mechanical processes taking place at the gear teeth contact interfaces.Highlights Sliding friction during polymer gear meshing generates dominant part of heat losses. The developed flash temperature model is based on numerical and analytical tools. Meshing kinematics influence considerably the frictional losses and temperature rise. Flash temperature model applicable to any type of spur gear geometry. The model provides necessary groundwork for long term nominal temperature analysis.
Chickens, Feed Grains, or Both: The Mexican Market
Authors: Arnade Carlos , Davis Christopher G. 
Published: March 2019

AbstractThis study connects Mexico’s imports of U.S. broiler meat with its imports of feed products. Two demand systems for Mexico are estimated: a two-stage Almost Ideal Demand System (AIDS) model for broiler meat and a demand for feed derived from a translog cost function representing the production of Mexican chickens. The models are estimated using data from 1997 to 2016. Given a change in policy where Mexico completely replaces U.S. broiler meat imports, the imports of U.S. feed products will increase. If Mexico does not completely replace U.S. imports with domestic broiler production, our model suggests that Mexican imports of U.S. feed fall.
Simulations of the bi-modal wake past three-dimensional blunt bluff bodies
Authors: Dalla Longa L. , Evstafyeva O. , Morgans A. S. 
Published: March 2019

The bi-modal behaviour of the turbulent flow past three-dimensional blunt bluff bodies is simulated using wall-resolved large eddy simulations. Bi-modality (also called bi-stability) is a phenomenon that occurs in the wakes of three-dimensional bluff bodies. It manifests as a random displacement of the wake between preferred off-centre locations. Two bluff bodies are considered in this work: a conventional square-back Ahmed body representative of road cars, and a simplified lorry, which is taller than it is wide, with its aspect ratio corresponding to a 15 % European lorry scale model. To our knowledge, this is the first time that the asymmetric bi-modal switching behaviour of the wake, observed experimentally, has been captured in simulations. The resulting unsteady flow fields are then analysed, revealing instantaneous topological changes in the wake experiencing bi-modal switching. The best-resolved case, the simplified lorry geometry, is then studied in greater detail using modal decomposition to gain insights into the energy content and the dominant frequencies of the wake flow structures associated with the asymmetric states. High-frequency snapshots of the switching sequence allow us to propose that large hairpin vortices are responsible for the triggering of the switching.
In vivoselection forHaemonchus contortusresistance to monepantel
Authors: Niciura S.C.M. , Cruvinel G.G. , Moraes C.V. , Chagas A.C.S. , Esteves S.N. , Benavides M.V. , Amarante A.F.T. 
Published: March 2019

AbstractGastrointestinal nematodes significantly affect the ovine industry, andHaemonchus contortusis considered the most pathogenic parasite in tropical regions. This situation is aggravated when the main strategy to control worms fails because of the genetic resistance that parasites acquire against anthelmintics. Aiming to anticipate the events involved in anthelmintic resistance, we induced monepantel resistance inH. contortusbyin vivosubdosing of sheep hosts. Four successive passages of a monepantel-susceptibleH. contortusisolate in Santa Ines or Ile de France sheep hosts resulted in three monepantel-resistant (efficacy varying from 0 to 58.5%)H. contortusisolates. Sheep hosts were treated from 0.075 mg/kg to the therapeutic dose of 2.5 mg/kg of monepantel in 19–26 rounds of selection for 112–133 weeks. Success in inducingH. contortusresistance to monepantel may have been affected by worm burden and by host–parasite interactions, including a possible effect of the breed of sheep hosts. We conclude that subdosing of sheep, although time-consuming, is an efficientin vivostrategy for the induction of monepantel resistance inH. contortus. The resistant parasites can be used in further studies to elucidate the genetic and biochemical events involved in the acquisition of anthelmintic resistance.
Tongan
Authors: Garellek Marc , Tabain Marija 
Published: March 2019

Tongan (lea fakatonga, ISO 639-3 code ton) is a Polynesian language spoken mainly in Tonga, where it is one of two official languages (with English). There are about 104,000 speakers of the language in Tonga, with nearly 80,000 additional speakers elsewhere (Simons & Fennig 2017). It is most closely related to Niuean, and more distantly related to West Polynesian languages (such as Tokelauan and Samoan) and East Polynesian languages (such as Hawaiian, Māori, and Tahitian). Previous work on the phonetics and phonology of Tongan includes a general grammar (Churchward 1953), a dissertation with a grammatical overview (Taumoefolau 1998), a phonological sketch of the language (Feldman 1978), two dictionaries (Churchward 1959, Tu‘inukuafe 1992), journal and working papers on stress (Taumoefolau 2002, Garellek & White 2015), intonation (Kuo & Vicenik 2012), as well as the ‘definitive accent’ (discussed below) and the phonological status of identical vowel sequences (Poser 1985; Condax 1989; Schütz 2001; Anderson & Otsuka 2003, 2006; Garellek & White 2010; Ahn 2016; Zuraw 2018). This illustration is meant to provide an overview of the phonetic structures of the language, and includes novel acoustic data on its three-way word-initial laryngeal contrasts, which are cross-linguistically rare. The recordings accompanying this illustration come from Veiongo Hehepoto, a native speaker of Tongan currently living in Melbourne, Australia. Ms. Veiongo was born in 1950 on the island of Vava‘u (northern Tonga), but grew up and was educated in the capital city Nuku‘alofa on Tongatapu (see Figure 1). She moved to Vanuatu when she was 16 years old, and when she was 21 moved to Australia where she trained as a nurse. She continues to speak Tongan every day with family members (including children, who were born in Australia) and friends.