bluuebunny/crossref_metadata_2025_split huggingface dataset:
In Vivo and Ex Vivo Microscopy: A Business Plan to Justify the Introduction of Similar Emerging Technologies Into Pathology Practice
Authors: Wells Wendy A. , Harhen Michael T. , Thrall Michael J. , Shevchuk Maria M. , Tearney Guillermo J. , Hariri Lida P. 
Published: December 2018

Context.—
Our patients are now demanding value for their medical diagnoses and treatment in terms of optimal costs, quality, and outcomes. The financial justification for the introduction of new emerging technologies that may better meet these needs will depend on many factors, even if there is an established reimbursement code. In vivo and ex vivo microscopic technologies (IVM and EVM, respectively) will be used as examples of potentially transforming technologies.

Objective.—
To describe the components of a business plan that ensures all of the ramifications of introducing a new technology into pathology practice have been considered. As well as the financial justification, such a plan should include strategic vision and congruence, the advantages and drawbacks of introducing such technology, and how plans for marketing, implementation, and verification can be operationalized.

Data Sources.—
Unlike many pathologists, administrative directors in clinical laboratories already know the components of a financially sound business plan. In addition to the financial justifications, other considerations of such a plan include expense reductions, multiyear buildups in revenue generation, the replacement of other technologies, improved productivity and workflows, additional space, new capital, retrained personnel, and the impact on other departments.

Conclusions.—
Pathologists will learn a business plan format to improve their confidence in making the sound financial justifications needed to consider the introduction of an emerging technology into pathology practice, even when there is initially no obvious revenue stream because formal reimbursement codes have not been established.
Characterization and comparative genomic analysis of virulent and temperateBacillus megateriumbacteriophages
Authors: Sharaf Abdoallah , Oborník Miroslav , Hammad Adel , El-Afifi Sohair , Marei Eman 
Published: December 2018

Next-Generation Sequencing (NGS) technologies provide unique possibilities for the comprehensive assessment of the environmental diversity of bacteriophages. SeveralBacillusbacteriophages have been isolated, but very fewBacillus megateriumbacteriophages have been characterized. In this study, we describe the biological characteristics, whole genome sequences, and annotations for two new isolates of theB. megateriumbacteriophages (BM5 and BM10), which were isolated from Egyptian soil samples. Growth analyses indicated that the phages BM5 and BM10 have a shorter latent period (25 and 30 min, respectively) and a smaller burst size (103 and 117 PFU, respectively), in comparison to what is typical forBacillusphages. The genome sizes of the phages BM5 and BM10 were 165,031 bp and 165,213 bp, respectively, with modular organization. Bioinformatic analyses of these genomes enabled the assignment of putative functions to 97 and 65 putative ORFs, respectively. Comparative analysis of the BM5 and BM10 genome structures, in conjunction with otherB. megateriumbacteriophages, revealed relatively high levels of sequence and organizational identity. Both genomic comparisons and phylogenetic analyses support the conclusion that the sequenced phages (BM5 and BM10) belong to different sub-clusters (L5 and L7, respectively), within the L-cluster, and display different lifestyles (lysogenic and lytic, respectively). Moreover, sequenced phages encode proteins associated withBacilluspathogenesis. In addition, BM5 does not contain any tRNA sequences, whereas BM10 genome codes for 17 tRNAs.
Posture similarity index: a method to compare hand postures in synergy space
Authors: Bhatt Nayan , SKM Varadhan 
Published: December 2018

Background
The human hand can perform a range of manipulation tasks, from holding a pen to holding a hammer. The central nervous system (CNS) uses different strategies in different manipulation tasks based on task requirements. Attempts to compare postures of the hand have been made for use in robotics and animation industries. In this study, we developed an index called the posture similarity index to quantify the similarity between two human hand postures.

Methods
Twelve right-handed volunteers performed 70 postures, and lifted and held 30 objects (total of 100 different postures, each performed five times). A 16-sensor electromagnetic tracking system captured the kinematics of individual finger phalanges (segments). We modeled the hand as a 21-DoF system and computed the corresponding joint angles. We used principal component analysis to extract kinematic synergies from this 21-DoF data. We developed a posture similarity index (PSI), that represents the similarity between posture in the synergy (Principal component) space. First, we tested the performance of this index using a synthetic dataset. After confirming that it performs well with the synthetic dataset, we used it to analyze the experimental data. Further, we used PSI to identify postures that are “representative” in the sense that they have a greater overlap (in synergy space) with a large number of postures.

Results
Our results confirmed that PSI is a relatively accurate index of similarity in synergy space both with synthetic data and real experimental data. Also, more special postures than common postures were found among “representative” postures.

Conclusion
We developed an index for comparing posture similarity in synergy space and demonstrated its utility by using synthetic dataset and experimental dataset. Besides, we found that “special” postures are actually “special” in the sense that there are more of them in the “representative” postures as identified by our posture similarity index.
Tuning the Potential of Electron Extraction from Microbes with Ferrocene‐Containing Conjugated Oligoelectrolytes
Authors: McCuskey Samantha R. , Rengert Zachary D. , Zhang Mengwen , Helgeson Matthew E. , Nguyen Thuc‐Quyen , Bazan Guillermo C. 
Published: December 2018

AbstractSynthetic systems that facilitate electron transport across cellular membranes are of interest in bio‐electrochemical technologies such as bio‐electrosynthesis, waste water remediation, and microbial fuel cells. The design of second generation redox‐active conjugated oligoelectrolytes (COEs) bearing terminal cationic groups and a π‐delocalized core capped by two ferrocene units is reported. The two COEs, DVFBO and F4‐DVFBO, have similar membrane affinity, but fluorination of the core results in a higher oxidation potential (422 ± 5 mV compared to 365 ± 4 mV vs Ag/AgCl for the neutral precursors in chloroform). Concentration‐dependent aggregation is suggested by zeta potential measurements and confirmed by cryogenic transmission electron microscopy. When the working electrode potential (ECA) is poised below the oxidation potential of the COEs (ECA = 200 mV) in three‐electrode electrochemical cells containing Shewanella oneidensis MR‐1, addition of DVFBO and F4‐DVFBO produces negligible biocurrent enhancement over controls. At ECA = 365 mV, DVFBO increases steady‐state biocurrent by 67 ± 12% relative to controls, while the increase with F4‐DVFBO is 30 ± 5%. Cyclic voltammetry supports that DVFBO increases catalytic biocurrent and that F4‐DVFBO has less impact, consistent with their oxidation potentials. Overall, electron transfer from microbial species is modulated via tailoring of the COE redox properties.
Controlled Massive Encapsulation via Tandem Step Emulsification in Glass
Authors: Ofner Alessandro , Mattich Iacopo , Hagander Michael , Dutto Alessandro , Seybold Hansjörg , Rühs Patrick A. , Studart André R. 
Published: December 2018

AbstractControlled encapsulation is important in pharmaceutics, agriculture, food products, and in emerging materials applications. Microfluidics offers a compelling approach to create controlled emulsions and microcapsules for these applications, but upscaling of this technology for the robust encapsulation of chemically diverse active ingredients is not yet demonstrated. Here, it is shown that microfluidic step emulsification can be exploited in upscaled glass devices to robustly produce monodisperse double emulsions and functional microcapsules in tandem at high throughput rates. The effect of geometrical parameters of the devices and the operating flow rates on the morphology, dimensions, and structure of monodisperse double emulsions is investigated and quantified using simple quantitative models. Using such double emulsions as templates, mechanoresponsive microcapsules that can be embedded in a soft matrix to generate damage‐reporting polymer parts that change color in areas subjected to excessive mechanical loads are created. Thanks to the chemical versatility and mechanical robustness of glass, this platform should enable the high‐throughput encapsulation of a wide variety of chemicals while providing the exquisite control achievable through microfluidics.
Design‐to‐Device Approach Affords Panchromatic Co‐Sensitized Solar Cells
Authors: Cooper Christopher B. , Beard Edward J. , Vázquez‐Mayagoitia Álvaro , Stan Liliana , Stenning Gavin B. G. , Nye Daniel W. , Vigil Julian A. , Tomar Tina , Jia Jingwen , Bodedla Govardhana B. , Chen Song , Gallego Lucía , Franco Santiago , Carella Antonio , Thomas K. R. Justin , Xue Song , Zhu Xunjin , Cole Jacqueline M. 
Published: December 2018

AbstractData‐driven materials discovery has become increasingly important in identifying materials that exhibit specific, desirable properties from a vast chemical search space. Synergic prediction and experimental validation are needed to accelerate scientific advances related to critical societal applications. A design‐to‐device study that uses high‐throughput screens with algorithmic encodings of structure–property relationships is reported to identify new materials with panchromatic optical absorption, whose photovoltaic device applications are then experimentally verified. The data‐mining methods source 9431 dye candidates, which are auto‐generated from the literature using a custom text‐mining tool. These candidates are sifted via a data‐mining workflow that is tailored to identify optimal combinations of organic dyes that have complementary optical absorption properties such that they can harvest all available sunlight when acting as co‐sensitizers for dye‐sensitized solar cells (DSSCs). Six promising dye combinations are shortlisted for device testing, whereupon one dye combination yields co‐sensitized DSSCs with power conversion efficiencies comparable to those of the high‐performance, organometallic dye, N719. These results demonstrate how data‐driven molecular engineering can accelerate materials discovery for panchromatic photovoltaic or other applications.
Puffing Up Energetic Metal–Organic Frameworks to Large Carbon Networks with Hierarchical Porosity and Atomically Dispersed Metal Sites
Authors: Zhao Ruo , Liang Zibin , Gao Song , Yang Ce , Zhu Bingjun , Zhao Junliang , Qu Chong , Zou Ruqiang , Xu Qiang 
Published: December 2018

AbstractLarge carbon networks featuring hierarchical pores and atomically dispersed metal sites (ADMSs) are ideal materials for energy storage and conversion due to the spatially continuous conductive networks and highly active ADMSs. However, it is a challenge to synthesize such ADMS‐decorated carbon networks. Here, an innovative fusion‐foaming methodology is presented in which energetic metal–organic framework (EMOF) nanoparticles are puffed up to submillimeter‐scaled ADMS‐decorated carbon networks via a one‐step pyrolysis. Their extraordinary catalytic performance towards oxygen reduction reaction verifies the practicability of this synthetic approach. Moreover, this approach can be readily applicable to a wide range of unexplored EMOFs, expanding scopes for future materials design.
Gerichtete Evolution ermöglicht das Design von maßgeschneiderten Proteinen zur nachhaltigen Produktion von Chemikalien und Pharmazeutika
Authors: Bornscheuer Uwe T. , Hauer Bernhard , Jaeger Karl Erich , Schwaneberg Ulrich 
Published: December 2018

AbstractDie gelenkte oder gerichtete Evolution (“directed evolution”) hat sich zu einem Standardverfahren entwickelt, um natürliche Proteine für eine breite Palette von Anwendungen maßzuschneidern. Es gelang über verschiedene Industriebereiche hinweg, eine hohe Wertschöpfung und einen hohen gesellschaftlichen Nutzen zu erzielen. Beispiele sind die enzymatische Herstellung von Chemikalien und Pharmazeutika sowie Anwendungen in Ernährung, Futtermittel und Waschmittel. Diese nachhaltigen Industrieverfahren sind essenziell für den Übergang von einer Erdöl‐basierten Wirtschaft hin zu einer Bioökonomie, die auf nachwachsenden Rohstoffe beruht. Ein vergleichbarer Durchbruch wurde durch die Technologie des Phagen‐Displays (“phage display”) erzielt, die es durch gerichtete Evolution ermöglicht, hochselektive Antikörper durch physikalische Kopplung des Phänotyps und des zugehörigen Genotyps zu finden, die für eine breite Palette von Anwendungen in Diagnostik und Therapie zur Verfügung stehen.
Scalable Enantioselective Total Synthesis of (−)‐Goniomitine
Authors: Bin Huai‐Yu , Wang Ke , Yang Dan , Yang Xiao‐Hui , Xie Jian‐Hua , Zhou Qi‐Lin 
Published: December 2018

AbstractA scalable enantioselective total synthesis of (−)‐goniomitine has been developed by using an iridium‐catalyzed asymmetric hydrogenation of an exocyclic enone ester to control the configuration of the molecule. The synthesis begins from commercially available starting materials, and proceeds through an integrated asymmetric ketone hydrogenation, Johnson–Claisen rearrangement, and one‐pot oxidation/deprotection/cyclization process. With this highly efficient and scalable strategy, (−)‐goniomitine was synthesized in eleven steps with 27 % overall yield, and formal enantioselective syntheses of (+)‐1,2‐dehydroaspidospermidine, (+)‐aspidospermidine, and (+)‐vincadifformine were also achieved.
Catalyst‐Controlled 1,2‐ and 1,1‐Arylboration of α‐Alkyl Alkenyl Arenes
Authors: Bergmann Allison M. , Dorn Stanna K. , Smith Kevin B. , Logan Kaitlyn M. , Brown M. Kevin 
Published: December 2018

AbstractTwo methods are reported for the 1,2‐ and 1,1‐arylboration of α‐methyl vinyl arenes. In the case of 1,2‐arylboration, the formation of a quaternary center occurred through a rare cross‐coupling reaction of a tertiary organometallic complex. 1,1‐Arylboration was enabled by catalyst optimization and occurred through a β‐hydride elimination/reinsertion cascade. Enantioselective variants of both processes are presented as well as mechanistic investigations.
Pharmacokinetics and metabolism of pemafibrate, a novel selective peroxisome proliferator‐activated receptor‐alpha modulator, in rats and monkeys
Authors: Ogawa Shin‐ichiro , Tsunenari Yoshihiko , Kawai Hiroyuki , Yamazaki Hiroshi 
Published: December 2018

AbstractThe metabolic profiles and pharmacokinetics of pemafibrate, a novel selective peroxisome proliferator activated receptor‐alpha modulator currently launched as an antidyslipidemic drug, were investigated in vitro using hepatocytes from rats, monkeys and humans and in vivo in rats and monkeys. Hepatocytes from rats, monkeys and humans all biotransformed pemafibrate to its demethylated form (M1). The bioavailabilities of pemafibrate in Sprague–Dawley rats and cynomolgus monkeys were 15% and 87%, respectively, after a single oral administration of pemafibrate (1 mg/kg). In rat plasma, unmetabolized pemafibrate was the major form, accounting for 29% of the area under the curve (AUC) of total radioactivity. In monkey plasma, in contrast, the major circulating metabolites were M2/3 (dearylated/dicarboxylic acid forms, 15%), M4 (N‐dealkylated form, 21%) and M5 (benzylic oxidative form, 9%), but pemafibrate was the notable minor form (3%). These results, in combination with the reported findings in humans, suggest that the metabolite profile of pemafibrate in plasma was different for rats and monkeys, and that monkeys could be a suitable animal model for further pharmacokinetic studies of pemafibrate in humans.
Stochastic search variable selection based on two mixture components and continuous‐scale weighting
Authors: Rinta‐aho Marko J. , Sillanpää Mikko J. 
Published: December 2018

AbstractStochastic search variable selection (SSVS) is a Bayesian variable selection method that employs covariate‐specific discrete indicator variables to select which covariates (e.g., molecular markers) are included in or excluded from the model. We present a new variant of SSVS where, instead of discrete indicator variables, we use continuous‐scale weighting variables (which take also values between zero and one) to select covariates into the model. The improved model performance is shown and compared to standard SSVS using simulated and real quantitative trait locus mapping datasets. The decision making to decide phenotype‐genotype associations in our SSVS variant is based on median of posterior distribution or using Bayes factors. We also show here that by using continuous‐scale weighting variables it is possible to improve mixing properties of Markov chain Monte Carlo sampling substantially compared to standard SSVS. Also, the separation of association signals and nonsignals (control of noise level) seems to be more efficient compared to the standard SSVS. Thus, the novel method provides efficient new framework for SSVS analysis that additionally provides whole posterior distribution for pseudo‐indicators which means more information and may help in decision making.
Metabolomics study on promoting blood circulation and ameliorating blood stasis: Investigating the mechanism of Angelica sinensis and its processed products
Authors: Yuan Ziwen , Zhong Lijia , Hua Yongli , Ji Peng , Yao Wanling , Ma Qi , Zhang Xiaosong , Wen Yanqiao , Yang Lihong , Wei Yanming 
Published: December 2018

AbstractAngelica sinensis (Danggui, DG) parched with alcohol (Jiu Danggui, JDG) and charred DG are the main processed products of DG, which are used to treat blood stasis syndrome (BSS). However, their therapeutic effect and mechanisms are still unclear. Based on an acute rat BSS model, the intervention effects of DG and its processed products (DGPPs) were evaluated by the hemorheology and coagulation function parameters. Meanwhile, plasma and urine metabolites were detected and analyzed by liquid chromatography coupled to quadrupole time‐of‐flight mass spectrometry and multivariate statistical analysis method. The results of hemorheology, coagulation function parameters and metabolomics all showed that the BSS model was successfully established, DGPPs intervention could significantly relieve rats BSS and the therapeutic effect of JDG was best. Moreover, 23 differential metabolites (14 in plasma and nine in urine) were identified that were closely related to the BSS, involving seven potential target metabolic pathways. DGPP intervention showed different degrees of reverse effect on these metabolites. JDG was the most effective owing to extensive regulation effect on differential metabolites. This study provides a reference for understanding the pathological mechanism of BSS and the mechanism of DGPPs, which lays a theoretical foundation for the rational use of DGPPs in clinical practice.
Mapping Aldehyde Dehydrogenase 1A1 Activity using an [18F]Substrate‐Based Approach
Authors: Pereira Raul , Gendron Thibault , Sanghera Chandan , Greenwood Hannah E. , Newcombe Joseph , McCormick Patrick N. , Sander Kerstin , Topf Maya , Årstad Erik , Witney Timothy H. 
Published: December 2018

AbstractAldehyde dehydrogenases (ALDHs) catalyze the oxidation of aldehydes to carboxylic acids. Elevated ALDH expression in human cancers is linked to metastases and poor overall survival. Despite ALDH being a poor prognostic factor, the non‐invasive assessment of ALDH activity in vivo has not been possible due to a lack of sensitive and translational imaging agents. Presented in this report are the synthesis and biological evaluation of ALDH1A1‐selective chemical probes composed of an aromatic aldehyde derived from N,N‐diethylamino benzaldehyde (DEAB) linked to a fluorinated pyridine ring either via an amide or amine linkage. Of the focused library of compounds evaluated, N‐ethyl‐6‐(fluoro)‐N‐(4‐formylbenzyl)nicotinamide 4 b was found to have excellent affinity and isozyme selectivity for ALDH1A1 in vitro. Following 18F‐fluorination, [18F]4 b was taken up by colorectal tumor cells and trapped through the conversion to its 18F‐labeled carboxylate product under the action of ALDH. In vivo positron emission tomography revealed high uptake of [18F]4 b in the lungs and liver, with radioactivity cleared through the urinary tract. Oxidation of [18F]4 b, however, was observed in vivo, which may limit the tissue penetration of this first‐in‐class radiotracer.
Phosphine Oxidation with Water and Ferrocenium(III) Cation induced by Visible‐Light Irradiation
Authors: Tanabe Yoshiaki , Nakajima Kazunari , Nishibayashi Yoshiaki 
Published: December 2018

AbstractInvited for the cover of this issue is the group of Yoshiaki Nishibayashi at The University of Tokyo. Read the full text of the article at 10.1002/chem.201805129.
Development of novel method for quantitative determination of carbon chemical reactivity
Authors: Huang Xianai , Ng Ka Wing , Giroux Louis 
Published: December 2018

AbstractThe coke reactivity index (CRI) measurement determined with the ASTM standard is affected by both the chemical and physical properties of the coke. The contribution made by each of these factors to the measurement result cannot be easily distinguished and quantified. A new thermogravimetric analysis (TGA) technique was developed to provide further information about the chemical behaviour of the coke to facilitate an improved interpretation of the CRI measurement. The development of the technique takes into consideration the potential change in reaction rate controlling mechanism in TGA equipment. It makes use of the shrinking core model to identify the reaction rate control regime and to extract reaction rate parameters from experimental measurement. A rigorous data processing procedure was developed to ensure consistent interpretation of the measurement data while repeatability was established through measurement repetition. The sensitivity of common variable factors between different TGA apparatus on measurement results was also examined. It was demonstrated that the measurement results of this new technique are highly repeatable and reproducible.