bluuebunny/crossref_metadata_2025_split huggingface dataset:
Facile Hydrothermal Synthesis and First Principle Computational Studies of NiSb2O4 and Its Electrochemical Properties with Ni3(Fe(CN)6)2(H2O) for Hybrid Supercapacitors
Authors: Shanmugavani Amirthalingam , Lalitha Murugan , Yuvaraj Subramanian , Vasylechko Leonid , Meyrick Danielle , Senthilkumar Lakshmipathi , Selvan Ramakrishnan Kalai 
Published: August 2017

AbstractTo realize the ideal electrode material for supercapacitors, the scientific community has been prompted to investigate a variety of materials. This study deals with the hydrothermal synthesis of NiSb2O4 for the first time for application to hybrid supercapacitors. First‐principles density functional theory (DFT) calculations are employed to study the electronic structure of synthesized NiSb2O4. The single phase tetragonal structure NiSb2O4 is revealed from X‐ray diffraction (XRD) analysis. Rod‐like micron‐sized structures are revealed through field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM) analysis. Structural parameters and unit cell dimensions are deduced from Rietveld refinement analysis. The comparative effects of various K+ electrolytes (1 M KOH, 1 M KCl, 1 M KNO3 and 0.5 K2SO4) on the NiSb2O4 negative electrode material are studied. Cyclic voltammogram (CV) showed greatest specific capacitance of 758 F g−1 at 2 mV s−1 in 1 M KOH. Galvanostatic charge‐discharge analysis (GCD) exhibited capacitance of 382 F g−1 at 1 A g−1. The asymmetric supercapacitor is assembled with synthesized Ni3(Fe(CN)6)2(H2O) as positive electrode and the device exhibits a specific capacitance of 344 F g−1 at 1 mV s−1 in 1 M KOH in the wider potential window of 1.6 V, suggesting its potential application as an energy storage device.
MCM‐41‐Supported Linear Alkylamine‐Catalyzed In Situ Generation of Unstable Trifluoroacetaldehyde and Successive syn‐Selective Direct Aldol Reaction with Cyclic Ketones
Authors: Funabiki Kazumasa , Nagaya Hideyuki , Gonda Hiroshi , Sakaida Yuta , Kubota Yasuhiro , Matsui Masaki , Kubota Yoshihiro 
Published: August 2017

AbstractFixation of linear alkylamine on the ordered mesoporous silica (MCM‐41) is effective on not only in situ generation of gaseous and unstable trifluoroacetaldehyde from its hemiacetal but also successive syn‐selective direct aldol reaction with cyclohexanone giving the corresponding syn‐aldol product. As results, the aldol product produced from cyclohexanone was obtained in good to excellent yield without the formation of a complex mixture, compared to our previous results with a mixture of catalysts such as organic amine/amorphous silica or organic amine/acetic acid. The obtained syn‐selectivity is opposite to the L‐proline derivatives‐catalyzed anti‐selective direct aldol reaction. Not only various aldehydes but also 1,3‐dicarbonyl compounds, such as 2,4‐pentandione and ethyl 3‐oxobutanoate, are also participated in the MCM‐41‐supported N‐methylpropylamine direct aldol reaction of CF3CHO hemiacetal, respectively.
Nanotubular Hard Carbon Derived from Renewable Natural Seed Gel for High Performance Sodium‐Ion Battery Anode
Authors: Sharma Neha , Gawli Yogesh , Ahmad Absar , Muhammed Musthafa , Ogale Satishchandra 
Published: August 2017

AbstractElectrical energy storage devices such as batteries and supercapacitors are perhaps the most researched topic today in view of its critical implications for the successful implementations of various renewable energy harvesting initiatives. Amongst the various battery systems being currently examined, the Li‐battery continues to be a main player, but the Na‐ion battery has been attracting significant attention lately due to the concerns about the limited reserves and high cost of Li. Hard carbon is recognized to be a good anode material for Na‐battery. In this work we present a novel approach to synthesize such hard carbon from a natural gel derived from the commonly used Basil seeds (Osimum Basilicum) which swell 30 times their weight by absorbing water. The hard carbon obtained by pyrolysis of the freeze‐dried mucilage possesses sheet‐like and tubular morphology with decorated surface defects attributed to the presence of oxygen functionalities. This hard carbon shows a good reversible capacity of 195 mAh g−1 at 0.1 A g−1 with an impressive ∼91 % retention of initial capacity after 300 cycles and sustains high current densities with not much change in capacity value.
Proteolysis‐Resistant Self‐Assembled ω‐Amino Acid Dipeptide‐Based Biocompatible Hydrogels as Drug Delivery Vehicle
Authors: Tiwari Priyanka , Verma Ritu , Basu Anindya , Christman Ryann M. , Tiwari Amit K. , Waikar Digambar , Dutt Konar Anita 
Published: August 2017

AbstractIn this report we demonstrate the excellent hydrogelating ability of two Fluorenylmethoxycarbonyl (Fmoc) protected dipeptides, Fmoc‐Xaa‐Phe‐OH (Xaa, Gaba, Hydrogelator I; Xaa, Ava, Hydrogelator II; Gaba=γ ‐aminobutyric acid; Ava= δ‐Amino Valeric acid) with ω‐amino acids exhibiting conformational flexibility. Since Proteolysis is the disadvantage for peptide‐based therapeutic agents, our design includes dipeptides known to show resistance towards proteolysis. The gelation property of the hydrogels were characterized by various analysis. It was concluded that the hydrogels were non cytotoxic in four completely different cell lines, which indicates its biocompatibility. These biomaterials were used to stabilize nanoparticles (HNPs) using the concept of self‐assembly, utilizing weak interactions rather than extreme conditions as seen in other polymers. These hydrogelators have shown good entrapment efficiency and release kinetics of the model drug curcumin from the hydrogel matrix. Our investigation reveals that hydrogelator II has an enhanced release profile due to the presence of methylene groups in the peptide backbone. This hypothesis is also supported by our computational studies.Thus our research holds future promise for using these biomaterials as vehicles for drug delivery.
Gold Nanoparticles and Reduced Graphene Oxide‐Gold Nanoparticle Composite Materials as Covalent Drug Delivery Systems for Breast Cancer Treatment
Authors: Jafarizad Abbas , Aghanejad Ayuob , Sevim Melike , Metin Önder , Barar Jaleh , Omidi Yadollah , Ekinci Duygu 
Published: August 2017

AbstractAuNPs and AuNPs/RGO composites were engineered as drug delivery nanoplatforms to efficiently deliver the anti‐cancer drug to MCF‐7 breast cancer cells. The anti‐cancer drug, mitoxantrone (MTX), was tethered to the gold nanoparticles via a 3‐mercaptopropionic acid (MPA) spacer and an acid‐cleavable amid bond (SMTX‐AuNPs). Then, the surface of the RGO nanosheets were decorated with SMTX‐AuNPs (SMTX‐AuNPs/RGO). For comparison purposes, MPA functionalized nanoparticles (MPA‐AuNPs) and their nanocomposites (MPA‐AuNPs/RGO) were also prepared using the same procedure. The formation of the nanomaterials was verified by spectroscopic and morphological techniques. The drug delivery activity of materials on MCF‐7 cells was investigated in vitro using different methods. Our results demonstrate that SMTX‐AuNPs have better activity on cancer cells than free MTX and SMTX‐AuNPs/RGO. Further, contradicting previous studies, our findings suggest that the use of graphene‐based materials for the covalent drug delivery systems need to be revisited.
Greener Synthesis of Reduced Graphene Oxide‐Nickel Nanocomposite: Rapid and Sustainable Catalyst for the Reduction of Nitroaromatics
Authors: Karthik Murugan , Suresh Palaniswamy 
Published: August 2017

AbstractAn efficient one‐pot method for the preparation of reduced graphene oxide‐nickel nanocomposite (RGO−Ni) has been developed using L‐ascorbic acid as a greener reducing agent, which simultaneously reduces both graphene oxide and NiII. The nanocomposite was characterized using various analytical techniques such as Fourier Transform Infrared Spectroscopy (FT‐IR), Powder X‐Ray Diffraction analysis(PXRD), Raman, Inductively Coupled Plasma‐Optical Emission Spectroscopy (ICP‐OES), Energy Dispersive X‐ray Spectroscopy (EDS), Scanning Electron Microscopy (SEM), High‐Resolution Transmission Electron Microscopy (HRTEM), X‐ray Photoelectron Spectroscopy (XPS) and surface area measurements. ICP‐OES confirms the presence of 19.7% nickel loading and TEM shows the average size of the particles to be 10 nm. Subsequently, RGO−Ni nanocomposite was used as a sustainable catalyst for the reduction of nitroaromatics to the corresponding amines using NaBH4 in an aqueous methanol medium. A series of aromatic and aliphatic nitro compounds are chemoselectively reduced to amines over other reducible functionalities. RGO−Ni nanocomposite is highly stable, and can be recovered by magnetic separation and recycled for at least five consecutive cycles. The present catalytic system has achieved the dual requirements for reactivity and selectivity in a nitro reduction in short reaction time with minimum nickel load in greener media.
A New Synthetic Approach to C2‐Symmetric Octacyclic Cage Diol via Claisen Rearrangement and Ring‐Closing Metathesis as Key Steps
Authors: Kotha Sambasivarao , Cheekatla Subba Rao 
Published: August 2017

AbstractA simple synthetic strategy to C2‐symmetric bisannulated octacyclic novel cage diol 20 is reported in eight linear steps starting with a readily available 1,4‐hydroquinone 22. Here, an atom economic processes such as Claisen rearrangement, Diels‐Alder reaction, intramolecular [2+2] photocycloaddition and ring‐closing metathesis (RCM) were used as key steps. The synthetic approach demonstrated here opensup new opportunities to assembled highly functionalized complex cage molecules that are difficult to realize by conventional routes. The structure of the RCM product 19 was firmly established on the basis of single‐crystal X‐ray diffraction studies.
Industrial experiences from evolving measurement systems into self‐healing systems for improved availability
Authors: Staron Miroslaw , Meding Wilhelm , Tichy Matthias , Bjurhede Jonas , Giese Holger , Söder Ola 
Published: August 2017

SummaryAutomated measurement programs are an efficient way of collecting, processing, and visualizing measures in large software development companies. The number of measurements in these programs is usually large, which is caused by a diversity of the needs of the stakeholders. In this paper, we present the application of the self‐healing concepts to assure the availability of measurements to the stakeholders without the need for effort‐intensive and costly manual interventions of the operators. We study the measurement infrastructure at one of the development units of a large infrastructure provider. In this paper, we present how the Monitor, Analyze, Plane, and Execute with Knowledge model was instantiated in a simplistic manner to reduce the need for manual intervention in the operation of the measurement systems. Based on the experiences from the 2 cases studied in this paper, we show how an evolution toward self‐healing measurement systems is done both with a dedicated failure taxonomy and with an effective straightforward handling of the most common errors in the execution. The mechanisms studied and presented in this paper show that self‐healing provides significant improvements to the operation of the measurement program and reduces the need for daily oversight by an operator for the measurement systems.
Polymer Based Hybrid Nanocomposites; A Progress Toward Enhancing Interfacial Interaction and Tailoring Advanced Applications
Authors: Ha Chang‐Sik 
Published: August 2017

AbstractOrganic/inorganic hybrid nanocomposites, in particular polymer based hybrid nanocomposites, constitute emerging advanced materials since they combine unique properties from the inorganic and organic (i. e. polymeric) components. We investigated three different hybrid nanocomposites depending on dimensions of the dispersed phase in the nanometer range,; polymer‐layered silicate (PLS) nanocomposites where polymers are mixed with layered silicates, polymer/graphene oxide hybrid nanocomposites, and polymer hybrid nanocomposites with reinforcing polymers with isodimensional phases of inorganic silicas using sol‐gel reactions. This Accounts reports the chronological progress of our landmark results on the polymer based hybrid nanocomposites of the three characteristic types that have been prepared in my laboratory for more than two decades, with their impacts, importance and advanced application of the related research fields for readers.
Human well‐being and climate change mitigation
Authors: Lamb William F. , Steinberger Julia K. 
Published: August 2017

Climate change mitigation research is fundamentally motivated by the preservation of human lives and the environmental conditions which enable them. However, the field has to date rather superficial in its appreciation of theoretical claims in well‐being thought, with deep implications for the framing of mitigation priorities, policies, and research. Major strands of well‐being thought are hedonic well‐being—typically referred to as happiness or subjective well‐being—and eudaimonic well‐being, which includes theories of human needs, capabilities, and multidimensional poverty. Aspects of each can be found in political and procedural accounts such as the Sustainable Development Goals. Situating these concepts within the challenges of addressing climate change, the choice of approach is highly consequential for: (1) understanding inter‐ and intra‐generational equity; (2) defining appropriate mitigation strategies; and (3) conceptualizing the socio‐technical provisioning systems that convert biophysical resources into well‐being outcomes. Eudaimonic approaches emphasize the importance of consumption thresholds, beyond which dimensions of well‐being become satiated. Related strands of well‐being and mitigation research suggest constraining consumption to within minimum and maximum consumption levels, inviting normative discussions on the social benefits, climate impacts, and political challenges associated with a given form of provisioning. The question of how current socio‐technical provisioning systems can be shifted towards low‐carbon, well‐being enhancing forms constitutes a new frontier in mitigation research, involving not just technological change and economic incentives, but wide‐ranging social, institutional, and cultural shifts. WIREs Clim Change 2017, 8:e485. doi: 10.1002/wcc.485This article is categorized under:

Climate and Development > Sustainability and Human Well‐Being
Physics‐based all‐atom modeling of RNA energetics and structure
Authors: Smith Louis G. , Zhao Jianbo , Mathews David H. , Turner Douglas H. 
Published: August 2017

The database of RNA sequences is exploding, but knowledge of energetics, structures, and dynamics lags behind. All‐atom computational methods, such as molecular dynamics, hold promise for closing this gap. New algorithms and faster computers have accelerated progress in improving the reliability and accuracy of predictions. Currently, the methods can facilitate refinement of experimentally determined nuclear magnetic resonance and x‐ray structures, but are ‘unreliable’ for predictions based only on sequence. Much remains to be discovered, however, about the many molecular interactions driving RNA folding and the best way to approximate them quantitatively. The large number of parameters required means that a wide variety of experimental results will be required to benchmark force fields and different approaches. As computational methods become more reliable and accessible, they will be used by an increasing number of biologists, much as x‐ray crystallography has expanded. Thus, many fundamental physical principles underlying the computational methods are described. This review presents a summary of the current state of molecular dynamics as applied to RNA. It is designed to be helpful to students, postdoctoral fellows, and faculty who are considering or starting computational studies of RNA. WIREs RNA 2017, 8:e1422. doi: 10.1002/wrna.1422This article is categorized under:

RNA Structure and Dynamics > RNA Structure, Dynamics, and Chemistry
RNA Evolution and Genomics > Computational Analyses of RNA
Microbes and RNA – Not Something to Sneeze At
Authors: Wilusz Jeffrey 
Published: August 2017

This article is categorized under:

RNA in Disease and Development > RNA in Disease
RNA Evolution and Genomics > RNA and Ribonucleoprotein Evolution
RNA Structure and Dynamics > Influence of RNA Structure in Biological Systems
Regulatory RNAs/RNAi/Riboswitches > Regulatory RNAs
Lower Extremity Bypass Using Bovine Carotid Artery Graft (Artegraft): An Analysis of 124 Cases with Long‐Term Results
Authors: Lindsey Philip , Echeverria Angela , Cheung Mathew , Kfoury Elias , Bechara Carlos F. , Lin Peter H. 
Published: August 2017

AbstractIntroductionAlthough biological grafts have been utilized as a vascular conduit in leg bypass for many years, reports of a bovine carotid artery graft (BCAG) in lower extremity revascularization have been scarce. This study analyzed the outcome of lower leg bypass using BCAG.MethodsA retrospective review of a prospectively collected database of all patients undergoing lower extremity bypass using BCAG from 2002 to 2017 was performed. Clinical outcomes including graft patency and limb salvage were evaluated.ResultsA total of 124 BCAG (Artegraft, North Brunswick, NJ) were implanted in 120 patients for lower extremity revascularization. Surgical indications included disabling claudication in 12%, rest pain in 36%, tissue loss in 48%, and infected prosthetic graft replacement in 3%. Autologous saphenous vein was either inadequate or absent in 72% of patients. BCAG was used in 46 patients (37%) who had a prior failed ipsilateral leg bypass. Distal anastomosis was performed in the above‐knee popliteal artery, below‐knee popliteal artery, and tibial artery in 30 cases (25%), 32 cases (26%), and 48 cases (39%), respectively. Distal anastomotic patch was created in all tibial artery to allow BCAG‐tibial reconstruction. The yearly primary patency rates in 5 years were 86.5, 76.4, 72.2, 68.3, and 67.5%, respectively. The corresponding yearly secondary patency rates were 88.5, 84.7, 82.4, 78.5, and 75.6%, respectively. The limb salvage rate at one year was 83.6% and at five years was 86.2% for patients with critical limb ischemia. Multivariate analysis showed poor runoff score (P = 0.03, 95% CI, 1.3–5.3; OR, 1.6) was independently associated with graft occlusion.ConclusionBCAG is an excellent vascular conduit and provides good long‐term results in lower extremity bypass.
Disparities in Breast Cancer: Private Patients Have Better Outcomes Than Public Patients
Authors: Coetzee W. C. , Apffelstaedt J. P. , Zeeman T. , Du Plessis M. 
Published: August 2017

AbstractIntroductionDifferent outcomes in breast cancer have been reported for low and high socio‐economic groups. We present data quantifying disparities between South African public and private patients.MethodsRecords of 240 consecutive patients treated in 2008 in a public versus 97 patients in a private health facility were reviewed for demographic and oncologic data.ResultsThe average of patients was 56.2 versus 51.9 years (p= 0.032). Stage at presentation was 0 in 0.83 versus 25.8%, I in 4.5 versus 15.5%, II in 41.3 versus 37.1%, III in 37.1 versus 18.6% and IV in 16.3 versus 3.1% public versus private patients. Seventy‐three percent of patients were symptomatic versus 57.7%. Of patients with stage 0–III disease, 17.9 versus 20% had simple tumour excision and 7.5 versus 14%, oncoplastic tumour excision. The mastectomy rate was similar (52 vs. 60%), but immediate reconstruction was performed in 10 versus 63%. Public patients were less likely to have radiotherapy. The pathology was similar, 27.2 versus 20, 54 versus 52, 87 versus 61% of patients with stage I, II and III disease, respectively, had chemotherapy. Hormonal therapy for premenopausal patients in private was a LHRH agonist in 9.3%, ovarian ablation/BSO in 11.7% of public patients; biologicals were given in 7.2 versus 0% of patients. Overall survival for public versus private was 66 versus 80% (p< 0.001) months. Better per stage survival of private patients 100 versus 100, 72.7 versus 93.3, 84.8 versus 88.9, 57.3 versus 77.8 and 33 versus 33% for stages 0, I, II, III and IV, did not reach statistical significance.ConclusionThe greatest impact on outcome was stage at presentation, but more aggressive therapy for each stage resulted in a trend to better outcome for private patients.
If at first you don’t succeed&nbsp;… adoption of iPad marking for high-stakes assessments
Authors: Judd Terry , Ryan Anna , Flynn Eleanor , McColl Geoff 
Published: August 2017

Large-scale interview and simulation-based assessments such as objective structured clinical examinations (OSCEs) and multiple mini interviews (MMIs) are logistically complex to administer, generate large volumes of assessment data, and are strong candidates for the adoption of computer-based marking systems. Adoption of new technologies can be challenging, and technical failures, which are relatively commonplace, can delay and/or create resistance to ongoing implementation.
This paper reports on the adoption process of an electronic marking system for OSCEs and MMIs following an unsuccessful initial trial. It describes how, after the initial setback, a staged implementation, progressing from small to larger-scale assessments, single to multiple assessment types, and lower to higher stakes assessments, was used to successfully adopt and embed iPad-based marking within our medical school.
Critical factors in the success of this approach included thorough appraisal and selection of technologies, rigorous assurance of system reliability and security, constant review and refinement, and careful attention to implementation and end-user training. Engagement of stakeholders is also crucial, especially in the case of previous failures or setbacks.