bluuebunny/crossref_metadata_2025_split huggingface dataset:
Optical and structural properties of (PANI‐CSA‐PMMA)/NiNPs nanocomposites thin films for organic optical filters
Authors: Jum'h Inshad , Mousa Marwan S. , Mhawish Mahmoud , Sbeih Suhad , Telfah Ahmad 
Published: November 2019

ABSTRACTSynthesized nanocomposite of protonated polyaniline with camphorsulfonic acid (PANI‐CSA) hosted in poly(methyl methacrylate) (PMMA) and incorporated with nickel nanoparticles (NiNPs) were coated as thin films on activated fused silica substrates using oxygen‐plasma and spin coating techniques. Weight percent ratios of 0, 10, 20, 30, 60, and 90% of NiNPs with respect to PANI‐CSA thin films have been studied in order to investigate the optical, structural, and morphological properties of (PANI‐CSA‐PMMA)/NiNPs by employing UV–Vis spectrometer, XRD, scanning electron microscopy (SEM), contact angle (CA) goniometry, impedance analyzer, and thermogravimetric analysis. Deduced refractive indices (n) from UV–Vis data were in the range from 1.5 up to 2.2. SEM micrographs show the typical crystalline structure of PANI was vanishing gradually with increasing the NiNPs content. Optical properties such as refractive index (n), extinction coefficient (k), absorption coefficient (α) as well as the band‐gap energies (Eg) were mathematically deduced throughout the experimental transmittance and absorbance UV–Vis spectra. Calculated refractive indices (n) were in the range from 1.5 up to 2.2. Optical band‐gap energies decrease in a monoexponential decay for samples up to 60% NiNPs/PANI‐CSA, samples with 90% concentration had substantial drop in its value due to the NiNPs percolations. The incorporation with NiNPs leads to the development of a new morphological states (sheet‐like heterostructure) which start to be obvious at 30%, at this concentration the CA was maxima (54°), at this concentration and the crystallite size are maximum and the CA was maximum (highest hydrophobicity). © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48643.
Enhanced mechanical and electrical properties of carbon fiber/poly(ether ether ketone) laminates via inserting carbon nanotubes interleaves
Authors: Su Yanan , Zhou Fang , Wei Xinghai , Jing Deqi , Zhang Xinghua , Zhang Shouchun 
Published: November 2019

ABSTRACTThe carbon fiber/(carbon nanotubes/polyetherimide)/poly ether ether ketone (CF/(CNTs/PEI)/PEEK) laminates are prepared by inserting carbon nanotubes/polyetherimide (CNTs/PEI) interleaves into interlaminar region. The mechanical properties and electrical conductivities of the developed laminates are evaluated. The results indicate that the interlaminar shear strength and flexural strength of CF/(CNTs/PEI)/PEEK laminates are increased by 42.9% and 24.7%, after inserting CNTs2.91/PEI interleaves, respectively. The cross‐sectional images of laminates after mechanical tests verify strong fiber‐resin adhesion by scanning electron microscope observation. The pertinent mechanism responsible for the improvement of mechanical properties is mechanical interlocking effect of CNTs. After incorporating CNTs/PEI interleaves, the electrical conductivity of laminates is markedly improved due to the formation of conductive pathway. This work suggests that this method is compatible with the preparation process of thermoplastic composites. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 137, 48658.
1,2,4‐Triazole‐conjugated 1,3,4‐thiadiazole hybrid scaffolds: A potent ameliorant of carrageenan‐induced inflammation by lessening proinflammatory mediators
Authors: Pathak Prateek , Shukla Parjanya K. , Naumovich Vladislav , Grishina Maria , Verma Amita , Potemkin Vladimir 
Published: November 2019

AbstractInflammation acts as an alarming signal for the progression of various biological complications. Various reports in the literature have revealed that heterocycle‐containing synthetic compounds have a restorative capability against acute and chronic inflammatory stages. In the current study, we synthesized a series of 1,2,4‐triazole‐conjugated 1,3,4‐thiadiazole hybrid scaffolds and evaluated their impacts against carrageenan‐induced paw edema and proinflammatory markers in Wistar rats. Further, 3D QSAR study (three‐dimensional quantitative structure–activity relationships), ADMET (absorption, distribution, metabolism, and excretion) profiling, and docking studies were performed to determine the possible mechanism of the action of the derivatives. The study shows that the most active derivatives, 13f and 13g, have optimal logP, a higher anti‐inflammatory activity score, and poor metabolism at various sites of cytochrome P450. The docking studies recommended that the synthesized compounds have a similar affinity as the ligands A307, 63X, and S58 to interact with tumor necrosis factor‐α, COX‐1, and COX‐2. So, these molecules will definitely hold a promise for the future drug development initiative.
Artificial Intelligence Investigation of NMC Cathode Manufacturing Parameters Interdependencies
Authors: Cunha Ricardo Pinto , Lombardo Teo , Primo Emiliano N. , Franco Alejandro A. 
Published: November 2019

AbstractThe number of parameters involved in lithium‐ion battery electrode manufacturing and the complexity of the physicochemical interactions throughout the associated processes make highly complex to find interdependencies between the final electrode characteristics and the fabrication parameters. In this work, we have analyzed three different machine‐learning algorithms (decision tree, support vector machine, and deep neural network) in order to find the best one to uncover the interdependencies between the slurry manufacturing parameters and the final properties of NMC‐based cathodes. The results revealed that the support vector machine method shows high accuracy and the possibility to predict the influence of manufacturing parameters on themass loading and porosity of the electrodes in a straightforward graphical way. Furthermore, we report for the first time this new approach and a case study that, by comparing the trends observed experimentally and from the model, demonstrates the validity and the quality of the proposed approach.
Resting‐state functional connectivity modulates the BOLD activation induced by nucleus accumbens stimulation in the swine brain
Authors: Cho Shinho , Hachmann Jan T. , Balzekas Irena , In Myung‐Ho , Andres‐Beck Lindsey G. , Lee Kendall H. , Min Hoon‐Ki , Jo Hang Joon 
Published: November 2019

AbstractIntroductionWhile the clinical efficacy of deep brain stimulation (DBS) the treatment of motor‐related symptoms is well established, the mechanism of action of the resulting cognitive and behavioral effects has been elusive.MethodsBy combining functional magnetic resonance imaging (fMRI) and DBS, we investigated the pattern of blood‐oxygenation‐level‐dependent (BOLD) signal changes induced by stimulating the nucleus accumbens in a large animal model.ResultsWe found that diffused BOLD activation across multiple functional networks, including the prefrontal, limbic, and thalamic regions during the stimulation, resulted in a significant change in inter‐regional functional connectivity. More importantly, the magnitude of the modulation was closely related to the strength of the inter‐regional resting‐state functional connectivity.ConclusionsNucleus accumbens stimulation affects the functional activity in networks that underlie cognition and behavior. Our study provides an insight into the nature of the functional connectivity, which mediates activation effect via brain networks.
Reversible Phase Transition of Porous Coordination Polymers
Authors: Fan Wen‐Wen , Cheng Yi , Zheng Li‐Yan , Cao Qiu‐E. 
Published: November 2019

AbstractPorous coordination polymers or metal–organic frameworks with reversible phase‐transition behavior possess some attractive properties, and can respond to external stimuli, including physical and chemical stimuli, in a dynamic fashion. Their phase transitions can be triggered by adsorption/desorption of guest molecules, temperature changes, high pressure, light irradiation, and electric fields; these mainly include two types of transitions: crystal–amorphous and crystal–crystal transitions. These types of porous coordination polymers have received much attention because of their interesting properties and potential applications. Herein, reversible phase transition porous coordination polymers are summarized and classified based on different stimuli sources. Corresponding typical examples are then introduced. Finally, examples of their applications in gas separation, chemical sensors, guest molecule encapsulation, and energy storage are also presented.
Bridging and Conformational Control of Porphyrin Units through Non‐Traditional Rigid Scaffolds
Authors: Grover Nitika , Locke Gemma M. , Flanagan Keith J. , Beh Michael H. R. , Thompson Alison , Senge Mathias O. 
Published: November 2019

AbstractConnecting two porphyrin units in a rigid linear fashion, without any undesired electron delocalization or communication between the chromophores, remains a synthetic challenge. Herein, a broad library of functionally diverse multi‐porphyrin arrays that incorporate the non‐traditional rigid linker groups cubane and bicyclo[1.1.1]pentane (BCP) is described. A robust, reliable, and versatile synthetic procedure was employed to access porphyrin‐cubane/BCP‐porphyrin arrays, representing the largest non‐polymeric structures available for cubane/BCP derivatives. These reactions demonstrate considerable substrate scope, from utilization of small phenyl moieties to large porphyrin rings, with varying lengths and different angles. To control conformational flexibility, amide bonds were introduced between the bridgehead carbon of BCP/cubane and the porphyrin rings. Through varying the orientation of the substituents around the amide bond of cubane/BCP, different intermolecular interactions were identified through single crystal X‐ray analysis. These studies revealed non‐covalent interactions that are the first‐of‐their‐kind including a unique iodine‐oxygen interaction between cubane units. These supramolecular architectures indicate the possibility to mimic a protein structure due to the sp3 rigid scaffolds (BCP or cubane) that exhibit the essential conformational space for protein function while simultaneously providing amide bonds for molecular recognition.
Development of a Library of Thiophene‐Based Drug‐Like Lego Molecules: Evaluation of Their Anion Binding, Transport Properties, and Cytotoxicity
Authors: Vieira Paulo , Miranda Margarida Q. , Marques Igor , Carvalho Sílvia , Chen Li‐Jun , Howe Ethan N. W. , Zhen Carl , Leung Claudia Y. , Spooner Michael J. , Morgado Bárbara , da Cruz e Silva Odete A. B. , Moiteiro Cristina , Gale Philip A. , Félix Vítor 
Published: November 2019

AbstractThe anion‐binding and transport properties of an extensive library of thiophene‐based molecules are reported. Seventeen bis‐urea positional isomers, with different binding conformations and lipophilicities, have been synthesized by appending α‐ or β‐thiophene or α‐, β‐, or γ‐benzo[b]thiophene moieties to an ortho‐phenylenediamine central core, yielding six subsets of positional isomers. Through 1H NMR, X‐ray crystallography, molecular modelling, and anion efflux studies, it is demonstrated that the most active transporters adopt a pre‐organized binding conformation capable of promoting the recognition of chloride, using urea and C−H binding groups in a cooperative fashion. Additional large unilamellar vesicle‐based assays, carried out under electroneutral and electrogenic conditions, together with N‐methyl‐d‐glucamine chloride assays, have indicated that anion efflux occurs mainly through an H+/Cl− symport mechanism. On the other hand, the most efficient anion transporter displays cytotoxicity against tumor cell lines, while having no effects on a cystic fibrosis cell line.
Cell‐Encapsulating Hydrogel Puzzle: Polyrotaxane‐Based Self‐Healing Hydrogels
Authors: Cho Ik Sung , Ooya Tooru 
Published: November 2019

AbstractSlide‐ring hydrogels using polyrotaxanes have been developed as highly tough soft materials. However, they have never been used as biomaterials because of the lack of biocompatibility. Meanwhile, self‐healing hydrogels are expected to improve fatigue resistance and extend the period of use. However, owing to the lack of high mechanical strength, they are limited in their use as biomaterials. Here we first developed a biocompatible self‐healing/slide‐ring hydrogel using glycol chitosan and a water‐soluble polyrotaxane. We obtained excellent mechanical toughness and biocompatibility to promote the proliferation of human umbilical vein endothelial cells (HUVECs) encapsulated in the hydrogel. Owing to the rapid self‐healing property, the cell‐encapsulating gels adjusted arbitrarily, maintaining good cell proliferation function. Therefore, slide‐ring hydrogels enable the use of biomaterials for soft‐tissue engineering.
Microporous Carbon Nanofibers Derived from Poly(acrylonitrile‐co‐acrylic acid) for High‐Performance Supercapacitors
Authors: Li Jiye , Song Xin , Zhang Weimiao , Xu Hao , Guo Teng , Zhang Xu , Gao Jiefeng , Pang Huan , Xue Huaiguo 
Published: November 2019

AbstractCarbon nanofiber (CNF)‐based supercapacitors have promising applications in the field of energy storage. It is desirable, but remains challenging, to develop CNF electrode materials with large specific surface area (SSA), high specific capacitance (SC), and high power density, as well as excellent cycling stability and high reliability. Herein, acrylonitrile–acrylic acid copolymer P(AN‐co‐AA) was synthesized for the preparation of nitrogen‐doped microporous CNFs. Thermal degradation of the AA segment leads to the formation of micropores that are distributed not only on the CNF surface, but also inside the material. The microporous structure and nitrogen content can be manipulated at the molecular level by adjusting the weight ratio between AN and AA, and the SSA and SC could reach as high as 1099 m2 g−1 and 156 F g−1, respectively. After KOH activation, the activated CNFs have an extremely high SSA of 2117 m2 g−1 and SC of 320 F g−1, which are among the highest values ever reported for electric double‐layer supercapacitors with an alkaline electrolyte. Furthermore, the capacitance retention, which can be maintained at 99 % even after 16 000 cyclic tests, reveals outstanding durability and repeatability.
Electronic Metal‐Support Interaction‐Modified Structures and Catalytic Activity of CeOx Overlayers in CeOx/Ag Inverse Catalysts
Authors: Ren Muqing , Qian Kun , Huang Weixin 
Published: November 2019

AbstractInvited for the cover of this issue is Weixin Huang and co‐workers at the University of Science and Technology of China. The image depicts the strong influence of electronic metal‐support interaction (EMSI) on electronic structures and the catalytic activity of CeOx
/Ag inverse catalysts. Read the full text of the article at 10.1002/chem.201904134.
Non‐stochastic behavior in sodium chlorate crystallization
Authors: Cruz José‐Manuel , Hernández‐Lechuga Karem , Domínguez‐Valle Israel , Fuentes‐Beltrán Alejandro , Sánchez‐Morales Javier Ulises , Ocampo‐Espindola Jorge Luis , Polanco Carlos , Micheau Jean‐Claude , Buhse Thomas 
Published: November 2019

AbstractNaClO3 is achiral in solution. If crystallization is performed under a static set‐up, it is recognized that the stochastic nucleation probability results in a racemic mixture of the conglomerate. In this paper, we report a reexamination of the crystallization of NaClO3 from static solution in petri dishes that was conducted over a number of years and is based on the count and analysis of several thousand d‐ vs. l‐NaClO3 crystals. Remarkably, instead of an expected nearly 50/50 coin‐tossing situation for the d/l crystal frequency, in most of our experiments a statistically significant bias in favor of d‐ over l‐NaClO3 crystals was found. The experiments also showed that the NaClO3 system was relatively insensitive regarding the intentional addition of a variety of optically active agents. Only in some cases, the persisting d‐bias observed in the unseeded experiments slightly increased upon the presence of such additives. Nevertheless, experiments in plastic petri dishes or in presence of fungal spores were able to reverse this bias. A literature survey shows that mainly d‐directed non‐stochastic behavior in the NaClO3 system has been previously observed in other laboratory settings and by the application of different crystallization techniques. So far, the kind of chiral influence that could be at the origin of the observed bias remains unknown. After the examination of several possible chiral influences of physical, chemical and biological origin, we carefully consider the presence of bio‐contaminants as most likely for the cause of this effect.
Temporal trends in prevalence and outcomes of atrial fibrillation in patients undergoing percutaneous coronary intervention
Authors: Morita Yusuke , Hamaguchi Toka , Yamaji Yuhei , Hayashi Hideyuki , Nakane Eisaku , Haruna Yoshisumi , Haruna Tetsuya , Hanyu Michiya , Inoko Moriaki 
Published: November 2019

AbstractBackgroundAtrial fibrillation (AF) is the most common arrhythmia in patients undergoing percutaneous coronary intervention (PCI).HypothesisLarge administrative data may provide further insight into temporal trends in the prevalence and burden of AF in patients who underwent PCI.MethodsUsing the National Inpatient Sample database in the U.S., AF patients ≥18 years who underwent PCI between 2005 and 2014 and were identified by the International Classification of Diseases, ninth revision, Clinical Modification, were examined. In‐hospital mortality, morbidity, resource use, and medical costs were evaluated in crude and propensity‐matched analyses.ResultsAmong an estimated 6 272 232 hospitalizations, of patients undergoing PCI, AF prevalence was 9.9% and steadily increased from 8.6% to 12.0% between 2005 and 2014 (P < .001); there was also a greater proportion of comorbidities. There was a marked increase in AF prevalence among those aged ≥65 years and those undergoing elective PCIs. AF was independently associated with higher in‐hospital mortality and higher rates of transient ischaemic attack/stroke, bleeding complications, and non‐home discharge. Excessive in‐hospital mortality, stroke rate, gastrointestinal bleeding, blood transfusion, length of stay, and costs among AF hospitalizations were consistently observed throughout the study period.ConclusionAF becomes more prevalent in patients undergoing PCI, possibly due to a higher comorbidity, particularly in elderly patients with non‐acute indications. Less favorable trends in mortality, bleeding, and stroke among AF patients who underwent PCI were consistent over time. Continuous efforts are needed to improve outcomes and manage strategies for AF patients undergoing PCI.
The Influence of Renal or Hepatic Impairment on the Pharmacokinetics, Safety, and Tolerability of Oliceridine
Authors: Nafziger Anne N. , Arscott Kelly A. , Cochrane Kristina , Skobieranda Franck , Burt David A. , Fossler Michael J. 
Published: November 2019

AbstractOliceridine is a G protein–biased ligand at the μ‐opioid receptor in development for treatment of moderate to severe acute pain. A phase 1, open‐label, single‐dose study investigated the pharmacokinetics and safety of oliceridine 0.5 mg intravenous (IV) in subjects with end‐stage renal disease (ESRD, n = 9) versus 1 mg in healthy controls (n = 8). A second phase 1, open‐label, single‐dose study investigated the pharmacokinetics and safety of a 0.5‐mg IV dose in hepatic impairment (mild, n = 10; moderate, n = 10; severe, n = 6) versus 1 mg in healthy controls (n = 8). The controls were sex and age (±10 years) matched. In ESRD versus healthy subjects, no difference in clearance was observed between ESRD patients and subjects with normal renal function. Oliceridine clearance and AUC were not affected by hepatic impairment. Half‐life (hours; GM [%CV]) increased in subjects with moderate (4.3 [44.1]) and severe (5.8 [41.2]) impairment versus mild impairment (2.6 [20.0]) and healthy subjects (2.1 [11.3]). Volume of distribution was increased with the degree of hepatic impairment. All adverse events were mild and generally consistent with the known safety profile of oliceridine. No dose adjustment is needed in patients with renal impairment or in patients with mild or moderate hepatic impairment. Initial dose reduction should be considered in severe hepatic impairment, and patients may require fewer doses of oliceridine due to the longer half‐life observed in these patients.
Leukemia‐associated immunophenotypes subdivided in “categories of specificity” improve the sensitivity of minimal residual disease in predicting relapse in acute myeloid leukemia
Authors: Rossi Giovanni , Giambra Vincenzo , Minervini Maria M. , De Waure Chiara , Mancinelli Silvia , Ciavarella Michele , Sinisi Nicola P. , Scalzulli Potito R. , Carella Angelo M. , Cascavilla Nicola 
Published: November 2019

AbstractBackgroundThe assessment of minimal residual disease (MRD) by flow cytometry (FC) has a prognostic impact in acute myeloid leukemia (AML), despite the low sensitivity in predicting relapse. Nonetheless, the role of leukemic‐associated immunophenotypes (LAIPs)‐related specificity on the sensitivity of MRD has not been clarified yet. In this respect, we accomplished this study.MethodsLAIP‐frequencies of bone marrow samples from healthy donors and patients after treatment were quantified and subdivided in “categories of specificity” named as: “strong,” “good,” and “weak.” At the following, the diagnostic performance of MRD was investigated in terms of sensitivity, specificity, predictive values, likelihood ratio (LR).Results“Strong” LAIPs were identified by CD7, CD2, CD4, and CD56 markers while “weak” LAIPs, independently of coexpressed markers, were mainly observed in CD33+ cells. MRD identified patients with significantly low DFS and OS but showed a low sensitivity in predicting relapse. Interestingly, majority of recurrences was noticed in patients with two LAIPs and lacking of “strong” LAIPs or only with one “good” LAIP. Thus, only patients showing one “strong” or two “good” LAIPs were considered suitable for MRD monitoring and selected to be further investigated. In this subset, positive MRD predicted a poor prognosis. Moreover, a higher sensitivity, negative predictive value (NPV) and LR‐ were observed after comparison with the previous series.ConclusionsThese data highlight the relevant role of LAIP classification in “categories of specificity” in improving the sensitivity of MRD as assessed by FC.
Novel 5‐(1‐aryl‐1H‐pyrazol‐3‐yl)‐1H‐tetrazoles as glycogen phosphorylase inhibitors: An in vivo antihyperglycemic activity study
Authors: Kattimani Pramod P. , Somagond Shilpa M. , Bayannavar Praveen K. , Kamble Ravindra R. , Bijjaragi Subhas C. , Hunnur Raveendra K. , Joshi Shrinivas D. 
Published: November 2019

AbstractIn this study, we report the ring transformation of 3‐arylsydnone into 1‐aryl‐1H‐pyrazole‐3‐carbonitriles via [3 + 2] cycloaddition with acrylonitrile. 1‐Aryl‐1H‐pyrazole‐3‐carbonitrile underwent [2 + 3] cycloaddition with sodium azide to afford 5‐(1‐aryl‐1H‐pyrazol‐3‐yl)‐1H‐tetrazoles which were further subjected to N‐alkylation with aryl/heteroaryl alkyl halides to afford 1,5‐ and 2,5‐disubstituted tetrazoles. Furthermore, the title compounds were screened for in vivo antihyperglycemic activity using albino Wistar rats of either sex. Compounds 4a, 6b, 7a, 7b, 8b, and 9b showed maximum fall in the blood glucose levels in streptozotocin‐induced diabetic rats after 5–7 days of administration. In support of antidiabetic activity, we also performed the experimental in vivo studies, namely, effect of compounds on enzymes (serum glutamic oxaloacetic transaminase, serum glutamic‐pyruvic transaminase, creatinine, urea, and total protein), antihyperlipidemic, and histopathology. Moreover, the molecular docking study has been performed for potent molecules among the series with glycogen phosphorylase as target enzyme, and this study corroborated the experimental in vivo results.