bluuebunny/crossref_metadata_2025_split huggingface dataset:
Spin–Spin Coupling Between Two meta‐Benzyne Moieties In a Quinolinium Tetraradical Cation Increases Their Reactivities
Authors: Kotha Raghavendhar R. , Yerabolu Ravikiran , Ding Duanchen , Szalwinski Lucas , Ma Xin , Wittrig Ashley , Kong John , Nash John J. , Kenttämaa Hilkka I. 
Published: January 2019

AbstractThe reactivity of a carbon‐centered σ,σ,σ,σ‐type singlet‐ground‐state tetraradical containing two meta‐benzyne moieties was examined in the gas phase. Surprisingly, the tetraradical showed higher reactivity than its individual meta‐benzyne counterparts. The reactivity of meta‐benzynes is controlled by their (calculated) distortion energy ΔE2.3, singlet–triplet spitting ΔES–T, and electron affinity (EA2.3) of the meta‐benzyne moiety at the transition state geometry for hydrogen‐atom abstraction reactions. The addition of a second meta‐benzyne moiety to a meta‐benzyne does not significantly change EA2.3. However, ΔE2.3 is substantially decreased for both meta‐benzyne moieties in the tetraradical, and this explains their higher reactivities. The decrease in ΔE2.3 for each meta‐benzyne moiety in the tetraradical is rationalized by stabilizing spin–spin coupling between one radical site in each meta‐benzyne moiety. Therefore, spin–spin coupling between the meta‐benzyne moieties in this tetraradical increases its reactivity, whereas spin–spin coupling within each meta‐benzyne moiety decreases its reactivity.
Safety, Tolerability, and Pharmacokinetics of Single Ascending Doses of ELX‐02, a Potential Treatment for Genetic Disorders Caused by Nonsense Mutations, in Healthy Volunteers
Authors: Leubitz Andi , Frydman‐Marom Anat , Sharpe Neal , van Duzer John , Campbell Kathleen C.M. , Vanhoutte Frédéric 
Published: January 2019

AbstractELX‐02 is an investigational synthetic eukaryotic ribosome–selective glycoside optimized as a translational read‐through molecule that induces read through of nonsense mutations, resulting in normally localized full‐length functional proteins. ELX‐02 is being developed as a therapy for genetic diseases caused by nonsense mutations. Two phase 1a, randomized, double‐blind placebo‐controlled, single‐ascending‐dose studies were conducted in healthy human subjects to evaluate the safety and pharmacokinetics of ELX‐02. Single subcutaneously injected doses of ELX‐02 between 0.3 mg/kg and 7.5 mg/kg showed an acceptable safety profile without severe or serious drug‐related adverse events, including a lack of renal and ototoxicity events. Injection of ELX‐02 resulted in a rapid time to peak concentration and elimination phase, with complete elimination from the vascular compartment within 10 hours. ELX‐02 area under the concentration‐time curve to infinity showed dose‐exposure linearity (24‐fold increase for a 25‐fold dose increase), and the maximum concentration showed dose proportionality (17‐fold increase for a 25‐fold increase). The mean apparent volume of distribution was dose dependent, suggesting an increased distribution and tissue uptake of ELX‐02 at higher doses. The primary route of excretion was in the urine, with the majority of the compound excreted unchanged. These results support the evaluation of the safety, pharmacokinetics, and efficacy of repeat dosing in future studies.
The Foundation for the National Institutes of Health Biomarkers Consortium: Past Accomplishments and New Strategic Direction
Authors: Menetski Joseph P. , Hoffmann Steven C. , Cush Stephanie S. , Kamphaus Tania Nayak , Austin Christopher P. , Herrling Paul L. , Wagner John A. 
Published: January 2019

The Foundation for the National Institutes of Health (FNIH) Biomarkers Consortium (BC) is a public–private partnership that aims to facilitate drug development with biomarkers across a range of therapeutic areas. The BC is organized to address specific precompetitive biomarker projects, giving participating stakeholders a role in the design and conduct of projects and making the results freely public. Ultimately, the goals of the BC are to accelerate the development of new medicines, inform regulatory decision making, and improve patient care. Here, we describe how the BC works and briefly highlight its accomplishments. The BC has had many notable successful biomarker projects in the past 12 years, including I‐SPY2, which has improved clinical trials and biomarker use for breast cancer, and an evidentiary framework for biomarker qualification. Recently, the BC has undergone a strategic expansion of its scope to include related drug development tools along the lines of the Biomarkers, Endpoints, and other Tools (BEST) resource.
Combination of bioactive factors and IEIK13 self‐assembling peptide hydrogel promotes cartilage matrix production by human nasal chondrocytes
Authors: Dufour Alexandre , Buffier Marie , Vertu‐Ciolino Delphine , Disant François , Mallein‐Gerin Frédéric , Perrier‐Groult Emeline 
Published: January 2019

AbstractNasal reconstruction remains a challenge for every reconstructive surgeon. Alloplastic implants are proposed to repair nasal cartilaginous defects but they are often associated with high rates of extrusion and infection and poor biocompatibility. In this context, a porous polymeric scaffold filled with an autologous cartilage gel would be advantageous. In this study, we evaluated the capacity of IEIK13 self‐assembling peptide (SAP) to serve as support to form such cartilage gel. Human nasal chondrocytes (HNC) were first amplified with FGF‐2 and insulin, and then redifferentiated in IEIK13 with BMP‐2, insulin, and T3 (BIT). Our results demonstrate that IEIK13 fosters HNC growth and survival. HNC phenotype was assessed by RT‐PCR analysis and neo‐synthesized extracellular matrix was characterized by western blotting and immunohistochemistry analysis. BIT‐treated cells embedded in IEIK13 displayed round morphology and expressed cartilage‐specific markers such as type II and type IX collagens and aggrecan. In addition, we did not detect significant production of type I and type X collagens and gene products of dedifferentiated and hypertrophic chondrocytes that are unwanted in hyaline cartilage. The whole of these results indicates that the SAP IEIK13 represents a suitable support for hydrogel‐based tissue engineering of nasal cartilage. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 107A: 893–903, 2019.
Biocatalytic Reduction of 2‐Monosubstituted 3‐Thiazolines Using Imine Reductases
Authors: Zumbrägel Nadine , Wagner Karla , Weißing Nils , Gröger Harald 
Published: January 2019

The application of a straightforward biocatalytic technology for the reduction of racemic 2‐monosubstituted 3‐thiazolines, which are easily prepared via Asinger‐multicomponent reaction, is reported. The biocatalytic reduction yields racemic 2‐monosubstituted 3‐thiazolidines, which are difficult to be prepared by means of classic chemical routes, in moderate to high yields. Moreover, our study clarifies the stereochemical reaction course of the biocatalytic reduction. Furthermore, the efficiency of this biocatalytic technology is demonstrated in an experiment at an elevated substrate concentration of 60 mM leading to 96% conversion.
Postnatal Ultrasound to Determine the Surgical Strategy for Congenital Diaphragmatic Hernia
Authors: Hosokawa Takahiro , Yamada Yoshitake , Takahashi Hiroaki , Tanami Yutaka , Sato Yumiko , Ishimaru Tetsuya , Tanaka Yujiro , Kawashima Hiroshi , Hosokawa Mayumi , Oguma Eiji 
Published: January 2019

ObjectivesTo compare defect sizes in congenital diaphragmatic hernia (CDH) measured by postnatal ultrasound (US) between neonates who underwent thoracoscopic surgery and neonates who underwent open surgery and between neonates who underwent primary repair and those who underwent patch repair; additionally, to compare the accuracy of US diagnosis with that of surgical diagnosis for the location of the diaphragmatic hernia and the hernial contents.MethodsWe included 8 neonates who underwent preoperative US evaluations of CDH. We compared anterior‐to‐posterior diaphragm defect sizes between thoracoscopic and open surgery approaches and between primary and patch repair by using the Mann‐Whitney U test. The diaphragm was divided into 3 segments: anterior, lateral, and posterior. We evaluated the location of the diaphragmatic hernia and the hernial contents.ResultsFour neonates who underwent open surgery had larger diaphragmatic hernias than those who underwent thoracoscopic surgery (mean ± SD, 30.5 ± 5.6 versus 16.3 ± 3.3 mm; P = .030). They were also larger in neonates who underwent patch repair than in those who underwent primary repair (33.0 ± 3.0 versus 17.6 ± 4.2 mm; P = .037). Detection of anterior and lateral diaphragm segments was consistent between US and surgical findings. Three of 4 neonates who underwent open surgery and all 3 neonates who underwent patch repair did not show the lateral segment. The hernial contents were also consistent between US and surgical findings.ConclusionsPostnatal US examinations of neonates with CDH could provide surgeons with useful information to determine the surgical approach and repair method. However, since our study cohort was small, further studies are needed with a larger number of neonates with CDH.
Okay, Google!: An empirical study on voice assistants on consumer engagement and loyalty
Authors: Moriuchi Emi 
Published: January 2019

AbstractE‐commerce shopping has gradually become a norm in consumers’ choice of shopping channel and part of this shopping process is aided by advance technologies including voice assistants (VA). There is a variety of artificial intelligence that is being developed in the market currently, and one of which has gradually gained its presence or information acquisition is the VA. In this paper, we propose a model that investigates the technology acceptance model constructs (perceived ease of use and perceived usefulness) and its effect on the engagement and loyalty between VA and consumers. Our model also investigates the moderating role of localizing VA between transactional and nontransactional based online activities. This study highlights the implication of technology integration in an e‐commerce environment.
Preparation and properties of novel fluorosilicone thermoplastic vulcanizate with cross‐linking–controlled core‐shell structure
Authors: Wang Yanpeng , Tang Yuan , Ren Yanrong , Ding Tao , Chen Yukun 
Published: January 2019

A new fluorosilicone thermoplastic vulcanizate (TPV) composed of poly(vinylidene fluoride) (PVDF), silicone rubber (SR), and fluororubber (FKM) was successfully prepared through dynamic vulcanization. The morphological structure of the TPVs had core‐shell elastomer particles dispersed in a continuous PVDF matrix. Furthermore, the cross‐linking of core‐shell structure was controlled by adopting different curing agent. The effect of cross‐linking–controlled core‐shell structure on the morphology, crystallization behavior, stress relaxation test, solvent‐resistant properties of the obtained TPVs were investigated. It was found that the shell cross‐link had a significant influence on the crystallinity of the PVDF phase. The core‐shell bicross‐linked TPV was found to provide the lowest rate of relaxation. An obvious stress softening phenomenon was observed in the uniaxial loading‐unloading cycles in tension. The bicross‐linked TPV had good solvent resistant properties. The tensile strength of the bicross‐linked TPV was still 12 MPa even after immersed in butyl acetate for 48 hours.
Isosorbide‐based polysebacates as polymeric components for development of in situ forming implants
Authors: Śmiga‐Matuszowicz Monika , Korytkowska‐Wałach Anna , Nowak Bożena 
Published: January 2019

In situ forming implants (ISFIs) appear to be a convenient drug delivery system, alternative to conventional preformed implants and microparticles for parenteral drug delivery applications. It has been shown that they offer several advantages including easy and minimally invasive application, potential for local/site‐specific drug delivery that allows reduction of side effects associated with systemic administration of drug. A few ISFI formulations based on poly(α‐hydroxy acids), solidifying by solid phase separation, are currently commercially available. In this work, polyesters based on sebacic acid, isosorbide, and optionally 1,2‐propanediol were synthesized and characterized. Poly(isosorbide sebacate‐co‐1,2‐propylene sebacate) (PISEBPG) was chosen as an essential constituent of new ISFI formulations dedicated to controlled release of doxycycline hyclate (DOXY). Basic characteristics of new ISFI formulations were investigated. In particular, the influence of addition of a relatively hydrophobic cosolvent (triacetin, TA) to a more hydrophilic 1‐methyl‐2‐pyrrolidone (NMP) as well as the presence of calcium carbonate (CAC) on the morphology of resulted depots and DOXY release profile was evaluated. Scanning electron microscopy (SEM) analysis revealed that the presence of TA resulted in more porous morphology of the depots. DOXY has been releasing continuously from depots in vitro within 12 weeks depending on the composition. The release profile of the PISEBPG‐based formulation containing CAC indicates that it could be useful where short‐term (up to 14 d), rapid release of the antibiotic is required, while formulation without CAC, where after 21 days about 50% of the drug loaded may still be available for release, may be better for the long‐term delivery of DOXY.
The best cutoff value of middle cerebral artery peak systolic velocity for the diagnosis of fetal homozygous alpha thalassemia‐1 disease
Authors: Tongprasert Fuanglada , Srisupundit Kasemsri , Luewan Suchaya , Traisrisilp Kuntharee , Jatavan Phudit , Tongsong Theera 
Published: January 2019

AbstractObjectiveTo determine the best cutoff value of middle cerebral artery peak systolic velocity (MCA‐PSV) for the diagnosis of fetuses with homozygous alpha thalassemia‐1 disease.MethodsPregnancies at risk for fetal homozygous alpha thalassemia‐1 disease at 18 to 22 weeks were recruited. MCA‐PSV was measured before cordocentesis for hemoglobin typing and complete blood count. The performance of the MCA‐PSV for identifying affected fetuses was evaluated using a best cutoff value derived from the receiver operating characteristic (ROC) curve.ResultsAmong 142 fetuses at risk, 46 (32.4%) fetuses were diagnosed as affected by homozygous alpha thalassemia‐1 disease and were categorized as mild anemia (16.3%), moderate anemia (58.1%), and severe anemia (25.6%). With the best cutoff point of MCA‐PSV > 1.30 multiples of the median (MoM) or >30.0 cm/s, the sensitivity for predicting fetal homozygous alpha thalassemia‐1 was 100%.ConclusionsMCA‐PSV > 1.30 MoM is the best cutoff value for the diagnosis of all degrees of fetal anemia from homozygous alpha thalassemia‐1 fetuses. Because of its simplicity for interpretation and high efficacy, a cutoff value of MCA‐PSV > 30 cm/s can also be used as an alternative marker for fetal anemia screening during 18 to 22 weeks of gestation.
Analysis of the Preserved Amino Acid Bias in Peptide Profiles of Iron Age Teeth from a Tropical Environment Enable Sexing of Individuals Using Amelogenin MRM
Authors: Wasinger Valerie C. , Curnoe Darren , Bustamante Sonia , Mendoza Raynold , Shoocongdej Rasmi , Adler Lewis , Baker Andy , Chintakanon Kanoknart , Boel Ceridwen , Tacon Paul S.C. 
Published: January 2019

AbstractThe first dental proteomic profile of Iron Age individuals (ca. 2000–1000 years B.P.), collected from the site of Long Long Rak rock shelter in northwest Thailand is described. A bias toward the preservation of the positively charged aromatic, and polar amino acids is observed. It is evident that the 212 proteins identified (2 peptide, FDR <1%) comprise a palimpsest of alterations that occurred both ante‐mortem and post‐mortem. Conservation of amino acids within the taphonomically resistant crystalline matrix enabled the identification of both X and Y chromosome linked amelogenin peptides. A novel multiple reaction monitoring method using the sex specific amelogenin protein isoforms is described and indicate the teeth are of male origin. Functional analysis shows an enrichment of pathways associated with metabolic disorders and shows a capacity for harboring these conditions prior to death. Stable isotope analysis using carbon isotopes highlights the strongly C3 based (≈80%) diet of the Long Long Rak cemetery people, which probably comprised rice combined with protein from freshwater fish among other food items. The combination of proteomics and stable isotope analysis provides a complementary strategy for assessing the demography, diet, lifestyle, and possible diseases experienced by ancient populations.
Light‐Induced Shape Morphing of Liquid Metal Nanodroplets Enabled by Polydopamine Coating
Authors: Gan Tiansheng , Shang Wenhui , Handschuh‐Wang Stephan , Zhou Xuechang 
Published: January 2019

AbstractShape morphing nanosystems have recently attracted much attention and a number of applications are developed, spanning from autonomous robotics to drug delivery. However, the fabrication of such nanosystems remains at an early stage owing to limited choices of strategies and materials. This work reports a facile method to fabricate liquid metal (LM) nanodroplets by sonication of bulk LM in an aqueous dopamine hydrochloride solution and their application in light‐induced shape morphing at the nanoscale. In this method, dopamine acts as a surfactant, which stabilizes the LM nanodroplets dispersion during the sonication, and results in downsizing of the nanodroplets. Furthermore, by adding 2‐amino‐2‐(hydroxymethyl)‐1,3‐propanediol to the suspension, self‐polymerization of dopamine molecules occurs, resulting in the formation of polydopamine (PDA)‐coated LM nanodroplets. Owing to the high photothermal conversion of the PDA, PDA‐coated LM nanodroplets are transformed from spherical shapes to ellipsoids by NIR laser irradiation. This study paves a simple and reliable pathway for the preparation of functional LM nanodroplets and their application as shape‐morphing nanosystems.
The bioinformatics of the yeast genome—A historical perspective
Authors: Mewes Hans‐Werner 
Published: January 2019

AbstractFrom 1989 to 1997, the yeast genome was sequenced by a worldwide international consortium initiated and conducted by André Goffeau (1935–2018). The article describes the pioneering collaboration of yeast scientists from a bioinformatics perspective. Indeed, the yeast genome has turned bioinformatics from an exotic hobby of few nerds into a discipline indispensable for answering biological questions using computational methods.
Analysis of the two-dimensional dynamics of a Mach 1.6 shock wave/transitional boundary layer interaction using a RANS based resolvent approach
Authors: Bonne N. , Brion V. , Garnier E. , Bur R. , Molton P. , Sipp D. , Jacquin L. 
Published: January 2019

A two-dimensional analysis of the resolvent spectrum of a Mach 1.6 transitional boundary layer impacted by an oblique shock wave is carried out. The investigation is based on a two-dimensional mean flow obtained by a RANS model that includes a transition criterion. The goal is to evaluate whether such a low cost RANS based resolvent approach is capable of describing the frequencies and physics involved in this transitional boundary layer/shock-wave interaction. Data from an experiment and a companion large eddy simulation (LES) are utilized as reference for the validation of the method. The flow is characterized by a laminar boundary layer upstream, a laminar separation bubble (LSB) in the interaction region and a turbulent boundary layer downstream. The flow exhibits low amplitude unsteadiness in the LSB and at the reflected shock wave with three particular oscillation frequencies, qualified as low, medium and high in reference to their range in Strouhal number, here based on free stream velocity and LSB length ($S_{t}=0.03{-}0.11$, 0.3–0.4 and 2–3 respectively). Through the resolvent analysis this dynamics is found to correspond to an amplifier behaviour of the flow. The resolvent responses match the averaged Fourier mode of the time dependent flow field, here described by the LES, with a close agreement in frequency and spatial distribution, thereby validating the resolvent approach. The low frequency dynamics relates to a pseudo-resonance process that sequentially implies the amplification in the separated shear layer of the LSB, an excitation of the shock foot and a backward travelling density wave. As this wave hits back the separation point the amplification in the shear layer starts again and loops. The medium and high frequency modes relate to the periodic expansion/reduction of the bubble and to the turbulent fluctuations at the reattachment point of the bubble, respectively.
Comparison of hit-and-run, slice sampler and random walk Metropolis
Authors: Rudolf Daniel , Ullrich Mario 
Published: January 2019

AbstractDifferent Markov chains can be used for approximate sampling of a distribution given by an unnormalized density function with respect to the Lebesgue measure. The hit-and-run, (hybrid) slice sampler, and random walk Metropolis algorithm are popular tools to simulate such Markov chains. We develop a general approach to compare the efficiency of these sampling procedures by the use of a partial ordering of their Markov operators, the covariance ordering. In particular, we show that the hit-and-run and the simple slice sampler are more efficient than a hybrid slice sampler based on hit-and-run, which, itself, is more efficient than a (lazy) random walk Metropolis algorithm.
Preferential attachment graphs with co-existing types of different fitnesses
Authors: Jordan Jonathan 
Published: January 2019

Abstract
We extend the work of Antunović et al. (2016) on competing types in preferential attachment models to include cases where the types have different fitnesses, which may be either multiplicative or additive. We show that, depending on the values of the parameters of the models, there are different possible limiting behaviours depending on the zeros of a certain function. In particular, we show the existence of choices of the parameters where one type is favoured both by having higher fitness and by the type of attachment mechanism, but the other type has a positive probability of dominating the network in the limit.
On the critical threshold for continuum AB percolation
Authors: Dereudre David , Penrose Mathew 
Published: January 2019

Abstract
Consider a bipartite random geometric graph on the union of two independent homogeneous Poisson point processes in d-space, with distance parameter r and intensities λ,μ. For any λ>0 we consider the percolation threshold μc(λ) associated to the parameter μ. Denoting by λc the percolation threshold for the standard Poisson Boolean model with radii r, we show the lower bound μc(λ)≥clog(c∕(λ−λc)) for any λ>λc with c>0 a fixed constant. In particular, there is no phase transition in μ at the critical value of λ, that is, μc(λc) =∞.
Effective procedure of verifying stochastic ordering of system lifetimes
Authors: Rychlik Tomasz , Navarro Jorge , Rubio Rafael 
Published: January 2019

Abstract
The Samaniego signature is a relevant tool for studying the performance of a system whose component lifetimes are exchangeable. It is well known that the stochastic ordering of the signatures of two systems implies the same for the respective system lifetimes. We prove that the reverse claim is not true when the component lifetimes are independent and identically distributed. There exist small proportions of systems with stochastically ordered lifetimes whose signatures are not ordered. We present a simple procedure in order to check whether the system lifetimes are stochastically ordered even if their signatures are not comparable.