bluuebunny/crossref_metadata_2025_split huggingface dataset:
Engineering Precision Medicine
Authors: Sun Wujin , Lee Junmin , Zhang Shiming , Benyshek Cole , Dokmeci Mehmet R. , Khademhosseini Ali 
Published: October 2018

AbstractAdvances in genomic sequencing and bioinformatics have led to the prospect of precision medicine where therapeutics can be advised by the genetic background of individuals. For example, mapping cancer genomics has revealed numerous genes that affect the therapeutic outcome of a drug. Through materials and cell engineering, many opportunities exist for engineers to contribute to precision medicine, such as engineering biosensors for diagnosis and health status monitoring, developing smart formulations for the controlled release of drugs, programming immune cells for targeted cancer therapy, differentiating pluripotent stem cells into desired lineages, fabricating bioscaffolds that support cell growth, or constructing “organs‐on‐chips” that can screen the effects of drugs. Collective engineering efforts will help transform precision medicine into a more personalized and effective healthcare approach. As continuous progress is made in engineering techniques, more tools will be available to fully realize precision medicine's potential.
An in vivo study of the pharmacological activities of a methanolic acetate fraction of Pistia stratiotes L.: An ethno‐medicinal plant used in Bangladesh
Authors: Hussain Md. Saddam , Ibrahim Md. , Hasan Md. Murad , Aziz Mohammad Tarek , Suchi Suzia Akter , Uddin Md. Giash 
Published: October 2018

AbstractBackgroundThe present study covered an assessment of methanolic acetate fractions of Pistia stratiotes, commonly known as water lettuce, for analgesic, anti‐inflammatory, and CNS depressant activities.MethodsThe methanol acetate fractions were extracted from Pistia stratiotes and administered to the experimental animals as 200 and 400 mg/kg doses to determine the effect on acetic acid‐induced writhing and formalin‐induced licking and biting, for the assessment of analgesic activity. The anti‐inflammatory assay was done using the carrageenan‐induced hind paw edema method, while assessment of CNS depressant activity was done using the open field and hole cross tests. The effects were compared to standard reference drugs.ResultsAt both doses (200 and 400 mg/kg body weight), the methanolic acetate extract of P. stratiotes showed significant analgesic action (P < 0.05) against acetic acid‐induced writhing. The extract was also found to give significant protection against licking and biting at both doses. The methanolic acetate extract of P. stratiotes showed a significant (P < 0.05) anti‐inflammatory effect from 0 minutes up to 3 hours in the carrageenan‐induced paw edema test. In the CNS depressant assay, the methanolic acetate extract showed significant (P < 0.05) depressant activity at both doses from 30 to 120 minutes in both the hole cross and open field tests.ConclusionThus we can conclude that P. stratiotes extracts have significant analgesic, anti‐inflammatory, and CNS depressant activity, compared to standard compounds, in an animal model.
Palladium‐Catalyzed Decarbonylative Borylation of Carboxylic Acids: Tuning Reaction Selectivity by Computation
Authors: Liu Chengwei , Ji Chong‐Lei , Hong Xin , Szostak Michal 
Published: October 2018

AbstractDecarbonylative borylation of carboxylic acids is reported. Carbon electrophiles are generated directly after reagent‐enabled decarbonylation of the in situ accessible sterically‐hindered acyl derivative of a carboxylic acid under catalyst controlled conditions. The scope and the potential impact of this method are demonstrated in the selective borylation of a variety of aromatics (>50 examples). This strategy was used in the late‐stage derivatization of pharmaceuticals and natural products. Computations reveal the mechanistic details of the unprecedented C−O bond activation of carboxylic acids. By circumventing the challenging decarboxylation, this strategy provides a general synthetic platform to access arylpalladium species for a wide array of bond formations from abundant carboxylic acids. The study shows a powerful combination of experiment and computation to predict decarbonylation selectivity.
Covalent Organic Frameworks with Chirality Enriched by Biomolecules for Efficient Chiral Separation
Authors: Zhang Sainan , Zheng Yunlong , An Hongde , Aguila Briana , Yang Cheng‐Xiong , Dong Yueyue , Xie Wei , Cheng Peng , Zhang Zhenjie , Chen Yao , Ma Shengqian 
Published: October 2018

AbstractThe separation of racemic compounds is important in many fields, such as pharmacology and biology. Taking advantage of the intrinsically strong chiral environment and specific interactions featured by biomolecules, here we contribute a general strategy is developed to enrich chirality into covalent organic frameworks (COFs) by covalently immobilizing a series of biomolecules (amino acids, peptides, enzymes) into achiral COFs. Inheriting the strong chirality and specific interactions from the immobilized biomolecules, the afforded biomolecules⊂COFs serve as versatile and highly efficient chiral stationary phases towards various racemates in both normal and reverse phase of high‐performance liquid chromatography (HPLC). The different interactions between enzyme secondary structure and racemates were revealed by surface‐enhanced Raman scattering studies, accounting for the observed chiral separation capacity of enzymes⊂COFs.
Stress–thermal oxidative aging behavior of hydrogenated nitrile rubber seals
Authors: Lou W. , Zhang W. , Jin T. , Liu X. , Wang H. 
Published: October 2018

ABSTRACTThe long‐term thermal oxidative aging behavior of uncompressed and compressed hydrogenated nitrile rubber seals was studied in terms of the weight loss, chemical structure, crosslinking density, compression set, fracture morphology, and mechanical properties. It was found that weight loss of the uncompressed seals was more than that of the compressed seals due to restricted mobility of additives and molecular chains under compression. The ATR–FTIR results showed that hydroxyl groups and carbonyl groups both were formed under the uncompressed and compressed states, whereas only the generation of amide groups was observed under the uncompressed state. Additionally, crosslinking reactions dominated throughout the aging process, but stress‐induced and oxidation‐induced chain scissions occurred and competed with crosslinking during subsequent middle and later stages of aging at 110 °C. Compression set of the compressed seals implied the formation of a denser network structure. The surface damage of the uncompressed seals gradually turned more serious and inhomogeneous than that of the compressed seals. Mechanical properties of the uncompressed and compressed seals showed a similar variation tendency with exposure time and degraded more seriously at higher temperatures. The TGA results indicated that the aging conditions (elevated temperature and compressive stress) did not significantly affect the thermal stability of the rubber seals. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47014.
Molded environment‐friendly flame‐retardant foaming material with high strength based on corn starch modified by crosslinking and grafting
Authors: Wang Yanbin , Su Qiong , Wang Hongling , Zhao Xiangfei , Liang Shuang 
Published: October 2018

ABSTRACTA flame‐retardant foaming material based on corn starch was prepared by a mold pressing method. The starch was crosslinked using Na3[PO3]3 and became gelatinized. Initiated by (NH4)2S2O8, the starch was grafted with methyl acrylate and vinyl acetate by a free‐radical polymerization. The starch was mixed with the foaming regent composed of NaHCO3 and azodicarbonamide, and molded at 135 °C and 9 MPa for 10 min. A foaming material with a uniform honeycomb‐like structure and relatively high strength was prepared. Its apparent density, tensile strength, impact strength and elongation were 0.685 g cm−3, 1.065 kJ m−2, 3.025 MPa, and 28.8%. It held excellent flame resistance of V‐0 rating. Na3(PO3)3 acted both as crosslinker and flame retardant, which effectively simplified the formula. When the material was burnt, a compact charred crust was formed on its surface, which prevented the permeation of oxygen and the release of combustible organic compounds. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47193.
Metabolomics‐based parallel discovery of xenobiotics and induced endogenous metabolic dysregulation in clinical toxicology
Authors: Chen Chang , Fan Ziquan , Xu Hui , Tan Xiaojie , Zhu Mingshe 
Published: October 2018

AbstractIntoxication by xenobiotics triggers the perturbation of metabolic fingerprints in biofluids, including the accumulation of xenobiotic compounds and the dysregulation of endogenous metabolites. In this work, an untargeted metabolomics workflow was developed to simultaneously profile both xenobiotic and endogenous metabolites for the identification of the xenobiotic origin and an in‐depth understanding of the intoxication mechanism. This workflow was demonstrated in a real‐world clinical case. Plasma samples were collected from four intoxicated children and another three healthy children. Untargeted metabolomics analysis was performed using ultraperformance liquid chromatography (UPLC) coupled to a high‐resolution mass spectrometer (HRMS) with data‐independent MSE acquisition. LC–MSE data was processed using an untargeted metabolomics data interpretation workflow, in which the identities of xenobiotics and altered endogenous metabolic features were determined via database searching. Five xenobiotic chemicals and 19 endogenous metabolites were found to be dysregulated. Combined with the clinical evidence, penfluridol was confirmed as the xenobiotic toxin. Furthermore, a mechanistic hypothesis was developed to explain the dysregulation of the four endogenous acyl‐carnitines. This workflow can be readily applied to a wide range of clinical toxicology cases, offering a powerful and convenient means of simultaneous discovery of intoxication source and the understanding of intoxication mechanisms.
Rapid quantitative analysis of etoricoxib in human plasma by UPLC‐MS/MS and application to a pharmacokinetic study in Chinese healthy volunteers
Authors: Zhang Xiaoran , Guo Nan , Ji Wei , Wen Qing 
Published: October 2018

AbstractA selective and sensitive liquid chromatography–tandem mass spectrometry method was developed for simultaneous determination of etoricoxib in human plasma. Chromatography was performed on an Acquity UPLC HSS T3 column (1.8 μm, 50 × 2.1 mm), with a flow rate of 0.600 mL/min, using a gradient elution with acetonitrile and water which contained 2 mm ammonium acetate as the mobile phase. Detection was carried out on Triple QuadTM 5500 mass spectrometer under positive‐ion multiple reaction monitoring mode. The respective mass transitions used for quantification of etoricoxib and etoricoxib‐d3 were m/z 359.0 → 280.1 and m/z 362.0 → 280.2. Calibration curves were linear over the concentration range of 5–5000 ng/mL. The validated method was applied in the pharmacokinetic study of etoricoxib in Chinese healthy volunteers under fed and fasted conditions. After a single oral dose of 120 mg, the main pharmacokinetic parameters of etoricoxib in fasted and fed groups were respectively as follows: peak concentration, 2364.78 ± 538.01 and 1874.55 ± 367.90 ng/mL; area under the concentration–time curve from 0 to 120 h, 44,605.53 ± 15,266.66 and 43,516.33 ± 12,425.91 ng h/mL; time to peak concentration, 2.00 and 2.50 h; and half‐life, 24.08 ± 10.06 and 23.64± 6.72 h. High‐fat food significantly reduced the peak concentration of etoricoxib (p = 0.001) but had no effect on the area under the concentration–time curve.
Association of deposition of tau and amyloid‐β proteins with structural connectivity changes in cognitively normal older adults and Alzheimer’s disease spectrum patients
Authors: Shigemoto Yoko , Sone Daichi , Maikusa Norihide , Okamura Nobuyuki , Furumoto Shozo , Kudo Yukitsuka , Ogawa Masayo , Takano Harumasa , Yokoi Yuma , Sakata Masuhiro , Tsukamoto Tadashi , Kato Koichi , Sato Noriko , Matsuda Hiroshi 
Published: October 2018

AbstractIntroductionAlzheimer's disease (AD) is characterized by accumulation of extracellular amyloid‐β and intracellular tau neurofibrillary tangles. The recent advent of tau positron emission tomography (PET) has enabled in vivo assessment of tau pathology. The aim of this study was to explore whether tau deposition influences the structural connectivity in amyloid‐negative and amyloid‐positive groups, and further explore the difference between the groups.MethodsWe investigated 18 patients with amnestic mild cognitive impairment/mild AD (AD‐spectrum group) and 35 cognitively normal older adults (CN group) using diffusion MRI, amyloid, and tau PET imaging. Diffusion connectometry was performed to identify white matter pathways correlated with each of the six variables of tau deposition in the bilateral hippocampi, temporal lobes, posterior and anterior cingulate cortices, precunei, orbitofrontal lobes, and entire cerebrum.ResultsThe CN group showed increased connectivity along with an increased tau deposition in the bilateral hippocampi, temporal lobes, and entire cerebrum, whereas the AD‐spectrum group showed decreased connectivity in the bilateral hippocampi, temporal lobes, anterior and posterior cingulate cortices, precunei, and entire cerebrum.ConclusionThese findings suggest that tau deposition in the CN group seems to induce a compensatory response against early neuronal injury or chronic inflammation associated with normal aging, whereas the coexistence of amyloid and tau in the AD‐spectrum group seems to outweigh the compensatory response leading to decreased connectivity, suggesting that amyloid plays a crucial role in alternating structural connectivity.
Spectrophotometers for labs: A cost‐efficient solution based on smartphones
Authors: Balado Sánchez Carlos , Díaz Redondo Rebeca P. , Fernández Vilas Ana , Sánchez Bermúdez Angel M. 
Published: October 2018

AbstractIn this paper, we introduce a proposal to provide students in labs with an alternative to the traditional visible range spectrophotometers (VIS spectrophotometers), whose acquisition and maintenance entails high costs, based on smartphones. Our solution faced two aspects. On the one hand, the software for the smartphone, able to perform the typical functionalities of the traditional spectrophotometers. On the other hand, the portable peripheral support needed to capture the images to be analyzed in the smartphone. The promising results allow this solution to be applied in Bring Your Own Devices (BYOD) contexts.
CFTR inhibits the invasion and growth of esophageal cancer cells by inhibiting the expression of NF‐κB
Authors: Li Wenjun , Wang Chaoyang , Peng Xiaonu , Zhang Hongwei , Huang Haibo , Liu Huimin 
Published: October 2018

AbstractOur study aimed to explore the function of cystic fibrosis transmembrane conductance regulator (CFTR) in esophageal cancer. Twenty patients with esophageal squamous cell carcinoma (ESCC) and 20 patients with esophageal adenocarcinoma (EA) were enrolled in this study. The levels of CFTR and NF‐κB in tumor tissues and adjacent normal tissues were detected, respectively. The expression of CFTR were detected by qRT‐PCR and Western blot in normal esophageal cell line, esophagus squamous cell, carcinoma cell lines, and EA cell lines, respectively. Effects of CFTR silencing and overexpression on NF‐κB protein expression were detected by Western blot. Transwell assay was performed to detect cell invasion. Mouse tumor model was established and the effect of CFTR inhibitor on tumor growth was examined. The expression of CFTR was downregulated in tumor tissues and cancer cell lines. CFTR silencing promoted the expression of NF‐κB‐p65 and NF‐κB‐p50, and the results of CFTR overexpression were reversed. In addition, CFTR silencing promoted the invasion of cancer cells and tumor growth in mice. Besides that, NF‐κB inhibitor reduced the enhancing effects of CFTR silencing on esophageal cell invasion. We conclude that CFTR inhibits the growth and migration of esophageal cancer cells by downregulating of the NF‐κB protein expression.
Linear Copper Complex Arrays as Versatile Molecular Strings: Syntheses, Structures, Luminescence, and Magnetism
Authors: Stollenz Michael 
Published: October 2018

AbstractThe defined linear arrangement of metal atoms in discrete coordination complexes or polymers is still one of the most intriguing challenges in synthetic chemistry. These chain arrangements are of fundamental importance, because of their potential applications as molecular wires and single molecule magnets (SMM) in microelectronic devices on a molecular scale. Oligonuclear Group 11 metal complexes with suitable bridging ligands, specifically those that are based on copper as the first choice of a cheap precursor coinage metal, are of particular interest in this regard. This is due to the superior luminescence properties of these linear clusters that often show d10⋅⋅⋅d10interactions in their molecular structures. The combination of CuIwith heavier coinage metal ions results in tunable emissive arrays that are also stimuli‐responsive. Thus, both linear multinuclear CuIand linear heteropolymetallic CuI/AgIas well as CuI/AuIclusters are excellent candidates for applications in molecular/organic light‐emitting devices (OLEDs). Alternatively, paramagnetic multinuclear cupric arrays are prominent as potential molecular wires with enhanced magnetic properties through multiple coupled d9centers. This Review covers the whole range of linear multinuclear assemblies of cuprous and cupric ions in complexes and coordination polymers, their syntheses, photophysical behavior, and magnetic properties. Moreover, recent advances in the rapidly progressing field of hetero‐CuI/AgIand CuI/AuImolecular strings are also discussed.
Construction of N‐Heterocycles through Cyclization of Tertiary Amines
Authors: Liu Shuya , Zhao Zhiguo , Wang Yao 
Published: October 2018

AbstractN‐Heterocycles have been found in a large number of natural products, drug molecules, and bioactive compounds, and they thereby play a vital role in diverse research disciplines including drug discovery, organic synthesis, chemical biology, and material science. To this end, the development of new methods and strategies for the construction of N‐heterocyclic frameworks is arguably one of the most dynamic and significant research areas in organic synthesis. One of these powerful approaches to the synthesis of N‐heterocycles is to establish cyclization reactions based on the transformation of tertiary amines, which has emerged as an attractive research topic. In this Minireview, the significant achievements in the construction of N‐heterocycles through cyclization of tertiary amines are highlighted and a comprehensive overview of the rational design, development, and application of these synthetic methods is presented.
α‐Fluoroalcohols: Synthesis and Characterization of Perfluorinated Methanol, Ethanol and n‐Propanol, and their Oxonium Salts
Authors: Baxter Amanda F. , Schaab Jonas , Hegge Joachim , Saal Thomas , Vasiliu Monica , Dixon David A. , Haiges Ralf , Christe Karl O. 
Published: October 2018

AbstractInvited for the cover of this issue is Karl O. Christe and co‐workers at the University of Southern California, Los Angeles, CA. and The University of Alabama, Tuscaloosa, AL. The image depicts a group of people enjoying alcohol at the Oktoberfest, but this includes a warning that perfluoroalcohols are strong acids, unsuitable for human consumption. Read the full text of the article at 10.1002/chem.201804306.
Diversity‐Orientated Stereoselective Synthesis through Pd‐Catalyzed Switchable Decarboxylative C−N/C−S Bond Formation in Allylic Surrogates
Authors: Deng Lei , Kleij Arjan W. , Yang Weibo 
Published: October 2018

AbstractSwitchable catalytic transformation of reactants can be a powerful approach towards diversity‐orientated synthesis from easily available molecular synthons. Herein, an endogenous ligand‐controlled, Pd‐catalyzed allylic substitution allowing for either selective C−N or C−S bond formation using vinylethylene carbonates (VECs) and N‐sulfonylhydrazones as coupling partners has been developed. This versatile methodology provides a facile, divergent route for the highly chemo‐ and stereoselective synthesis of functional allylic sulfones or sulfonohydrazides. The newly developed protocol features wide substrate scope (nearly 80 examples), broad functional group tolerance, and potential for the late‐stage functionalization of bioactive compounds. The isolation and crystallographic analysis of a catalytically competent π‐allyl Pd complex suggests that the pathway leading to the allylic products proceeds through a different manifold as previously proposed for the functionalization of VECs with nucleophiles.
Greenhouse gas removal from industrial effluents: The role of inorganic additives
Authors: Gomes Vincent G. , Ahmadi Mitra 
Published: October 2018

AbstractThis work is focused on the investigation of the effects of inorganic additives for carbon dioxide absorption in a liquid solvent containing potassium carbonate. Incorporating the kinetics of the main reaction steps, we considered the interactions between the governing transport mechanisms for determining the effects of gas and liquid outlet temperatures and lean carbonate compositions on outlet carbon dioxide concentration. We estimated the mass transfer coefficient using the surface renewal formalism. Based on the rate‐determining steps for the reaction and mass transfer, we developed mathematical models comprising sets of nonlinear differential and algebraic equations, which were solved using the software we developed. Plant data from an industrial unit were used for validating the model, which was subsequently employed for evaluating species concentration profiles, flow rates, temperature, and pressure in the absorber. The effects of the types of promoters, pressure, temperature, and concentration profiles of the promoters were estimated to evaluate the performance of the absorber.
Flow, mixing, and heat transfer in fluidic oscillators
Authors: Khalde Chirag M. , Pandit Ajinkya V. , Sangwai Jitendra S. , Ranade Vivek V. 
Published: October 2018

AbstractThere is an increasing emphasis on process intensification and development of compact, intensified reactors and separators in recent years. Significant efforts are being made to develop such intensified reactors and separators without any moving parts. Some of the recent research studies have proven that a liquid‐liquid extractor based on the Coanda effect and feedback oscillations exhibit excellent mixing and liquid‐liquid contacting. These fluidic oscillators can potentially be used for a variety of other multiphase reactions and systems demanding enhanced mixing and heat and mass transfer. In this work, we have computationally investigated flow, mixing, and heat transfer in fluidic oscillators based on the Coanda effect. Available information on flow and mixing in fluidic oscillators was critically reviewed and key gaps in the available knowledge with respect to the design and optimization of fluidic oscillators were identified. Computational flow models were developed to characterize key flow features like unsteady flows, secondary vortices, and internal recirculation over a range of Reynolds number (Re = 90–1538) for three different oscillator designs. Systematic numerical studies were carried out to quantify different flow regimes, oscillations, and the influence of key geometric parameters on flow, mixing, and heat transfer. Simulated results were critically analyzed and are presented in the form of dimensionless numbers. The approach and results presented in this work will provide useful insights and a systematic basis for extending the applications of the Coanda‐based feedback oscillatory devices for a wide range of engineering applications.