bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design, synthesis, in silico and antiproliferative evaluation of novel pyrazole derivatives as VEGFR‐2 inhibitors
Authors: Ravula Parameshwar , Vamaraju Harinadha Babu , Paturi Manichandrika , Sharath Chandra Janivara Nanjunde Gowda Narendra 
Published: December 2017

AbstractAs the blockade of the VEGFR‐2 signaling pathway is a viable approach in cancer therapy, the present study focuses on a series of pyrazole based VEGFR‐2 inhibitors that were designed on the basis of the hybridization approach, supported by docking and in silico computational studies. The designed compounds were synthesized through facile synthetic methods and the structures were confirmed by 1H NMR, 13C NMR, MS and elemental analysis. The compounds were screened for in vitro antiproliferative activity against the HT‐29 (human colon cancer) and MCF‐7 (human breast cancer) cell lines by MTT assay. The compounds were also studied for in vitro inhibitory activity against VEGFR‐2 kinase. Among all the tested compounds, compound 6h emerged as a potent agent in the antiproliferative study against HT‐29 and MCF‐7 cells, with IC50 values of 2.36 and 6.59 μM, respectively. Moreover, the same compound exhibited the highest VEGFR‐2 inhibitory activity with an IC50 value of 1.89 μM. In docking studies, the designed compounds showed similar and essential key interactions as those of known VEGFR‐2 inhibitors. The present study may lead to new molecules in the development of anticancer agents targeting VEGFR‐2.
Motion Control of a Nonholonomic Mobile Manipulator in Task Space
Authors: Zhou Shengfeng , Pradeep Yazhini C. , Zhu Ming , Amezquita‐Semprun Kendrick , Chen Peter 
Published: December 2017

AbstractIn this paper, the motion control of a mobile manipulator subjected to nonholonomic constraints is investigated. The control objective is to design a computed‐torque controller based on the coupled dynamics of the mobile manipulator. The proposed controller achieves the capability of simultaneous tracking of a reference velocity for the mobile base and a reference trajectory for the end‐effector. The aforementioned reference velocity and trajectory are defined in the task space, such task setting imitates the actual working conditions of a mobile manipulator and thus makes the control problem practical. To solve this tracking problem, a steering velocity is firstly designed based on the first‐order kinematic model of the nonholonomic mobile base via dynamic feedback linearization. The main merit of the proposed steering velocity design is that it directly utilizes the reference velocity set in the task space without requiring the knowledge of a reference orientation. A torque controller is subsequently developed based on a proposed Lyapunov function which explicitly considers the coupled dynamics of the mobile manipulator to ensure the mobile base and end‐effector track the reference velocity and trajectory respectively. This proposed computed‐torque controller is able to realize asymptotic stability of both the base velocity tracking error and the end‐effector motion tracking error. Simulations are conducted to demonstrate the effectiveness of the proposed controller.
Viability Criteria for a Switched System on Bounded Polyhedron
Authors: Lv JianFeng , Gao Yan , Zhao Na 
Published: December 2017

AbstractThe viability of a switched system on a bounded polyhedron set, which is expressed by some linear inequalities, is investigated. Based on nonsmooth analysis and the properties of the tangent cone, a necessary and sufficient condition for viability is proposed. It is shown that the viability of a system is equivalent to the consistency of some systems of linear inequalities. Specifically, a viability condition for a switched system on a bounded polyhedron is presented. According to this condition, determining the viability of a bounded polyhedron can be transformed into verifying certain conditions at vertices of each facet. The method of determining viability, which transforms verifying the condition from infinite points to finite ones, can be implemented easily in practice. An algorithm to determine the viability for the switched system is constructed by using convex analysis. In addition, the approach can be extended to the switched system in which a control input is present. Finally, an example is listed to illustrate the effectiveness of the results.
Classification of early‐stage non‐small cell lung cancer by weighing gene expression profiles with connectivity information
Authors: Zhang Ao , Tian Suyan 
Published: December 2017

AbstractPathway‐based feature selection algorithms, which utilize biological information contained in pathways to guide which features/genes should be selected, have evolved quickly and become widespread in the field of bioinformatics. Based on how the pathway information is incorporated, we classify pathway‐based feature selection algorithms into three major categories—penalty, stepwise forward, and weighting. Compared to the first two categories, the weighting methods have been underutilized even though they are usually the simplest ones. In this article, we constructed three different genes’ connectivity information‐based weights for each gene and then conducted feature selection upon the resulting weighted gene expression profiles. Using both simulations and a real‐world application, we have demonstrated that when the data‐driven connectivity information constructed from the data of specific disease under study is considered, the resulting weighted gene expression profiles slightly outperform the original expression profiles. In summary, a big challenge faced by the weighting method is how to estimate pathway knowledge‐based weights more accurately and precisely. Only until the issue is conquered successfully will wide utilization of the weighting methods be impossible.
Production of cellulosic organic acids via synthetic fungal consortia
Authors: Scholz Scott A. , Graves Ian , Minty Jeremy J. , Lin Xiaoxia N. 
Published: December 2017

AbstractConsolidated bioprocessing (CBP) is a potential breakthrough technology for reducing costs of biochemical production from lignocellulosic biomass. Production of cellulase enzymes, saccharification of lignocellulose, and conversion of the resulting sugars into a chemical of interest occur simultaneously within a single bioreactor. In this study, synthetic fungal consortia composed of the cellulolytic fungus Trichoderma reesei and the production specialist Rhizopus delemar demonstrated conversion of microcrystalline cellulose (MCC) and alkaline pre‐treated corn stover (CS) to fumaric acid in a fully consolidated manner without addition of cellulase enzymes or expensive supplements such as yeast extract. A titer of 6.87 g/L of fumaric acid, representing 0.17 w/w yield, were produced from 40 g/L MCC with a productivity of 31.8 mg/L/hr. In addition, lactic acid was produced from MCC using a fungal consortium with Rhizopus oryzae as the production specialist. These results are proof‐of‐concept demonstration of engineering synthetic microbial consortia for CBP production of naturally occurring biomolecules.
Meta-analysis of the procedural risks of carotid endarterectomy and carotid artery stenting over time
Authors: Lokuge K , de Waard D D , Halliday A , Gray A , Bulbulia R , Mihaylova B 
Published: December 2017

Abstract

Background
Stroke/death rates within 30 days of carotid endarterectomy (CEA) and carotid artery stenting (CAS) in RCTs inform current clinical guidelines. However, the risks may have changed in recent years with wider use of effective stroke prevention therapies, especially statins, improved patient selection and growing operator expertise. The aim of this study was to investigate whether the procedural stroke/death risks from CEA and CAS have changed over time.

Methods
MEDLINE and Embase were searched systematically from inception to May 2016 for observational cohort studies of CEA and CAS. Studies included reported on more than 1000 patients, with 30-day outcomes after the procedure according to patients' symptom status (recent stroke or transient ischaemic attack). Restricted maximum likelihood random-effects and meta-regressions methods were used to synthesize procedural stroke/death rates of CEA and CAS according to year of study recruitment completion.

Results
Fifty-one studies, including 223 313 patients undergoing CEA and 72 961 undergoing CAS, were reviewed. Procedural stroke/death risks of CEA decreased over time in symptomatic and asymptomatic patients. Risks were substantially lower in studies completing recruitment in 2005 or later, both in symptomatic (5·11 per cent before 2005 versus 2·68 per cent from 2005 onwards; P = 0·002) and asymptomatic (3·17 versus 1·50 per cent; P &lt; 0·001) patients. Procedural stroke/death rates of CAS did not change significantly over time (4·77 per cent among symptomatic and 2·59 per cent among asymptomatic patients). There was substantial heterogeneity in event rates and recruitment periods were long.

Conclusions
Risks of procedural stroke/death following CEA appear to have decreased substantially. There was no evidence of a change in stroke/death rates following CAS.
How consumers “see” a visually warm store: Differences between affective and cognitive processors
Authors: Baek Eunsoo , Choo Ho Jung , Oh Hyunjoo , Yoon So‐Yeon 
Published: December 2017

AbstractStore atmosphere can influence shoppers' perceptions and behaviors. This research contributes to the literature by showing that a visually warm store atmosphere can induce psychological warmth perception among in‐store consumers. An empirical study was conducted to investigate the effect of warmth through a visually warm or cold store atmosphere on consumers' perceptions/behaviors and the moderating role of consumers' processing styles. Results (N = 181) showed that a visually warm (vs. cold) atmosphere induces the perception of intimacy toward the store among affective processors and the perception of assortment similarity among cognitive processors. Such perceptions were found to mediate the effect of the visually warm atmosphere on consumers' approach behaviors toward the store. Based on the grounded cognition theory, this study extends the current knowledge of the warmth experience on psychological perceptions to a retail context. Findings not only contribute to the extant literature of store atmospherics and retailing but they also offer practical guidelines for retailers and designers of store environments.
Effects of Pressure and pH on the Hydrolysis of Cytosine: Implications for Nucleotide Stability around Deep‐Sea Black Smokers
Authors: Lepper Christopher P. , Williams Martin A. K. , Penny David , Edwards Patrick J. B. , Jameson Geoffrey B. 
Published: December 2017

AbstractThe relatively low chemical stability of cytosine compared with other nucleobases is a key concern in origin‐of‐life scenarios, but the effect of pressure on the rate of hydrolysis of cytosine to uracil remains unknown. Through in situ NMR spectroscopy measurements, it has been determined that the half‐life of cytosine at 373.15 K decreases from (18.0±0.7) days at ambient pressure (0.1 MPa) to (8.64±0.18) days at high pressure (200 MPa). This yields an activation volume for hydrolysis of (−11.8±0.5) cm3 mol−1; a decrease that is similar to the molar volume of water (18.0 cm3 mol−1) and consistent with a tetrahedral 3,3‐hydroxyamine transition‐state/intermediate species. Similar behaviour was also observed for cytidine. At both ambient and high pressures, the half‐life of cytosine decreases significantly as the pH decreases from 7.0 to 6.0. These results provide scant support for the notion that RNA‐based life forms originated in high‐temperature, high‐pressure, acidic environments.
Spontaneous Covalent Self‐Assembly of the Azoarcus Ribozyme from Five Fragments
Authors: Jayathilaka Tharuka S. , Lehman Niles 
Published: December 2017

AbstractSpontaneous covalent assembly of short RNA fragments has been proposed as a plausible prebiotically relevant pathway to a self‐reproducing system. We previously showed that the Azoarcus group I intron could self‐assemble from four RNA fragments. Here, we extended this fragmentation to five RNAs that averaged <40 nucleotides in length. We optimized this reaction and showed that a dehydration–rehydration sequence was the most effective means to date to shift the self‐assembly equilibrium from reactants to products.
Alphanumerical Visual Display Made of DNA Logic Gates for Drug Susceptibility Testing of Pathogens
Authors: Connelly Ryan P. , Morozkin Evgeny S. , Gerasimova Yulia V. 
Published: December 2017

AbstractMolecular diagnostics of drug‐resistant pathogens require the analysis of point mutations in bacterial or viral genomes, which is usually performed by trained professionals and/or by sophisticated computer algorithms. We have developed a DNA‐based logic system that autonomously analyzes mutations found in the genome of Mycobacterium tuberculosis complex (MTC) bacteria and communicates the output to a human user as alphanumeric characters read by the naked eye. The five‐gate system displays “O” (“no infection”) for the absence of MTC infection and “P” or “F” for passing or failing a drug‐susceptibility test, respectively.
Carotid‐cavernous fistula after endovascular intervention for chronic carotid artery total occlusion
Authors: Yeh Chih‐Fan , Chen Yin‐Hsien , Lin Mao‐Shin , Huang Ching‐Chang , Hung Chi‐Sheng , Meng Shih‐Wei , Lee Chih‐Kuo , Kao Hsien‐Li 
Published: December 2017

AbstractBackground and PurposeIn addition to head trauma and cranial surgery, endovascular intervention for chronic carotid artery occlusion (CAO) may also result in carotid‐cavernous fistula (CCF). The management and prognosis of iatrogenic CCF during CAO recanalization have never been well described and discussed in the literature.Materials and MethodsWe conducted a retrospective analysis for CAO recanalization attempts in National Taiwan University Hospital and affiliated hospitals. Incidence and presentation, demographic and angiographic variables, and clinical follow‐up of the development of iatrogenic CCF were carefully reviewed.ResultsA total of 138 consecutive de novo CAO endovascular recanalization attempts were reviewed. The technical success rate was 61.6% (85/138). Complication rate, including death, stroke, and intracranial or sub‐arachnoid hemorrhage (ICH or SAH) was 4.3% (6/138). CCF developed in 11 patients (8.0%), and none resulted in death, stroke, or ICH/SAH within 30 days. Female gender and distal carotid artery reconstitution at communicating or ophthalmic segments were associated with development of CCF. Imaging follow‐ups were performed in eight patients and none showed persistent CCF.ConclusionCCF may develop during chronic CAO endovascular recanalization attempts. It is usually self‐limited and can be managed conservatively.
Association of isochromosome (7)(q10) in Shwachman–Diamond syndrome with the severity of cytopenia
Authors: Shimosato Yuko , Tanoshima Reo , Tsujimoto Shin‐ichi , Takeuchi Masanobu , Sasaki Koji , Kajiwara Ryosuke , Goto Hiroaki , Nagai Junichi , Yanagimachi Masakatsu D. , Ito Shuichi , Yokota Shumpei 
Published: December 2017

Key Clinical MessageWe report two male siblings with SDS. They have the same compound heterozygous mutations. Only one of the siblings acquired cytogenetic abnormality of i(7q) 2 years after diagnosis, became transfusion‐dependent, and underwent allogeneic hematopoietic stem cell transplantation. These cases indicate that i(7q) is associated with significant cytopenia in SDS patients.
Covalently Immobilized Lipase on a Thermoresponsive Polymer with an Upper Critical Solution Temperature as an Efficient and Recyclable Asymmetric Catalyst in Aqueous Media
Authors: Lou Lan‐Lan , Qu Huaxin , Yu Wenjun , Wang Bei , Ouyang Lezi , Liu Shuangxi , Zhou Wuzong 
Published: December 2017

AbstractA thermoresponsive lipase catalyst with an upper critical solution temperature (UCST) of about 26 °C was exploited by covalent immobilization of an enzyme, Pseudomonas cepacia lipase (PSL), onto poly(acrylamide‐co‐acrylonitrile) by glutaraldehyde coupling. The experimental conditions for the PSL immobilization were optimized. The immobilized PSL was much more stable for wide ranges of temperature and pH than free PSL. The material was also evaluated as an asymmetric catalyst in the kinetic resolution of racemic α‐methylbenzyl butyrate at 55 °C in an aqueous medium and exhibited high catalytic performance and stability. Up to 50 % conversion and 99.5 % product enantiomeric excess were achieved, thus providing highly pure enantiomers. This biocatalyst could be easily recovered by simple decantation for reuse based on temperature‐induced precipitation. It showed good reusability and retained 80.5 % of its original activity with a well reserved enantioselectivity in the 6th cycle. This work would shed light on the future development of new UCST‐type enzyme catalysts.
Alkenyl and Aryl Peroxides
Authors: Klussmann Martin 
Published: December 2017

AbstractAlkenyl and aryl peroxides are a special class of organic peroxides. Under ambient conditions, they are usually short‐lived, rapidly decomposing into radicals by homolytic O−O bond cleavage. They play an important role in the chemistry of the lower atmosphere, where they are formed through ozonolysis of alkenes. In the dark, this pathway is considered the major source of hydroxyl radicals, the “detergent of the atmosphere”. In solution, alkenyl and aryl peroxides can be formed by various methods and their decomposition can be harnessed synthetically. For example, reactions involving alkenyl peroxides can be used to introduce ketones through radical additions, and nucleophilic aromatic substitution reactions generating aryl peroxides have been used to synthesize phenols. The radicals can also initiate radical polymerization reactions or chain reactions and mediate oxidative coupling by C−H bond functionalization. Knowledge of their chemistry could be helpful for projects generating or utilizing peroxides.
Modulation of Nickel Pyridinedicarboxamidate Complexes to Explore the Properties of High‐valent Oxidants
Authors: Pirovano Paolo , Twamley Brendan , McDonald Aidan R. 
Published: December 2017

AbstractHigh‐valent Ni oxidants have been implicated in hydrocarbon oxidation catalysis, however, little is understood about the properties of these oxidants. Herein, a family of NiII complexes supported by a pyridinedicarboxamidate ligand and different ancillary ligands was synthesized. The series spans coordination numbers 4, 5, and 6, and contains neutral, mono‐ and di‐anionic donor types. X‐ray crystallography and magnetic measurements showed that the 4‐coordinate complexes were square planar and low spin (S=0) and the 5‐ and 6‐coordinate were intermediate spin (S=1). The NiII complexes could be oxidized by one electron to form a series of metastable NiIII species. EPR analysis confirmed their description as S=
NiIII compounds with signal shape and hyperfine coupling dependent on the coordination environment. The oxidation of phenols by the NiIII species was probed, providing evidence for a correlation between oxidizing power and electron‐donating properties of the supporting ligands. Critically, we found that the pyridinedicarboxamidate ligand may be a non‐innocent proton acceptor in the oxidation reactions.
On the Lewis Acidity of the Oxoiron(IV) Unit in a Tetramethylcyclam Complex
Authors: Klein Johannes E. M. N. , Draksharapu Apparao , Shokri Alireza , Cramer Christopher J. , Que Lawrence 
Published: December 2017

AbstractThe correlation between oxidation state and Lewis acidity is well established for hexaquairon complexes in the +II and +III oxidation state, in which the higher oxidation state leads to a lower pKa for the bound H2O ligand. This article addresses the Lewis acidity of the oxoiron(IV) complex [FeIV(O)(TMC)(OH2)]2+ (1‐OH2; TMC=1,4,8,11‐tetramethylcyclam) by determining the pKa of the H2O ligand. We establish that 1‐OH2 has a pKa of 6.9±0.5, a value that falls in between those found for [FeIII(OH2)6]3+ and [FeII(OH2)6]2+. This intermediate value can be readily rationalized by the presence of the highly basic oxide ligand that mitigates the Lewis acidity of the iron(IV) center. Although the oxo ligand occupies only one position in 1‐OH2, anti to all four methyl groups that protrude from the same face of the nonplanar TMC ligand, its conjugate base 1‐OH exists as a mixture of syn and anti tautomers, which are related by proton transfer between the oxo and the hydroxo ligands.
Designing the Macrocyclic Dimension in Main Group Chemistry
Authors: Niu Hao‐Che , Plajer Alex J. , Garcia‐Rodriguez Raul , Singh Sanjay , Wright Dominic S. 
Published: December 2017

AbstractOutside the confines and well‐established domain of organic chemistry, the systematic building of large macromolecular arrangements based on non‐carbon elements represents a significant and exciting challenge. Our aim in the past two decades has been to develop robust synthetic methods to construct new types of main group architectures in a methodical way, principles of design that parallel those used in the organic arena. This Concept article addresses the fundamental thermodynamic and kinetic problems involved in the design and synthesis of main group macrocycles and looks to future developments of macromolecules in this area, as well as new applications in coordination chemistry.
Investigation of (Me4N)SCF3 as a Stable, Solid and Safe Reservoir for S=CF2 as a Surrogate for Thiophosgene
Authors: Scattolin Thomas , Pu Maoping , Schoenebeck Franziska 
Published: December 2017

AbstractWhile thiophosgene finds widespread usage on a multi‐ton scale, its fluorinated counterpart S=CF2 is essentially unexplored in synthesis. Using experimental reactivity tests, ReactIR and computational techniques, we herein showcase that the solid (Me4N)SCF3 functions as a safe reservoir for S=CF2. A key feature is that the reactive electrophile is not simply released over time, but instead is liberated under activation with a protic nucleophile. The reactivity of S=CF2 is mild, allowing large‐scale and late‐stage synthetic applications without special reaction control. The mechanism was fully elucidated, including a rationalization of the role of the Me4N cation and the origins of selectivity.
Panchromatic Photosensitizers Based on Push–Pull, Unsymmetrically Substituted Porphyrazines
Authors: Fernández‐Ariza Javier , Urbani Maxence , Rodríguez‐Morgade M. Salomé , Torres Tomás 
Published: December 2017

AbstractA series of five push–pull porphyrazines of A3B type, in which unit B is an isoindole 4‐carboxylic acid, has been prepared. The units A have been endowed with thioether, amine, ether and alkyl functions, either directly attached to the β‐position of the pyrrolic units, or connected to the porphyrazine core through p‐substituted phenyl groups. Attaching the electron‐donor functions to the porphyrazine periphery produces strong perturbations in the electronic and redox properties of the dyes. Their HOMO and LUMO energies, estimated from the optical and redox data, as well as with DFT calculations, raise upon functionalization with amines, while the corresponding frontier orbital energetic levels lower upon functionalization with thioethers, p‐methoxyphenyl or p‐tert‐butylphenyl groups. The effective interaction of peripheral substitution with the macrocycle produces chromophores with panchromatic absorption between 300 and 750–850 nm.