bluuebunny/crossref_metadata_2025_split huggingface dataset:
Preparation of Maillard reaction flavor additive from germinated wheat and its effect on bread quality
Authors: Wu Fengfeng , Lv Ping , Yang Na , Jin Yamei , Jin Zhengyu , Xu Xueming 
Published: January 2018

AbstractBackground and objectivesGerminated wheat was used as the raw material to make a new type of natural bread flavor additive to enhance the taste of ordinary bread. This study aimed to achieve a better optimization of Maillard reaction products and explore the effect of the Maillard reaction products on bread flavor.FindingsThrough an orthogonal experiment, the sensory evaluation score by the Friedman rank test was used as an indicator to determine the best technological parameters for making the Maillard reaction flavor additive from germinated wheat: A 1:2 ratio of 2‐day‐old/3‐day‐old germinated wheat flour, a 130°C baking temperature, and 15 min baking time were found to be optimal. Then, the effect of the Maillard reaction products on bread quality was studied. The results revealed that the optimum addition of the Maillard reaction product was 3%, which could produce bread with more baking flavor and best sensory assessment without affecting the bread specific volume, texture, and color.ConclusionsGerminated wheat can be used to make flavor components with bread‐like baking smell by the Maillard reaction. These flavor components, made by mixing wheat seeds at different germination stages at a certain ratio and produced by solid‐phase baking, can give relatively favorable flavor to bread.Significance and noveltyThis approach not only can solve the problem of improving the flavor of bread, but is also in line with the current pursuit of natural health food, and additionally can provide a new way for the comprehensive utilization of germinated wheat.
Ammonium Chloride vs Urea‐Induced Ammonia Inhibition of the Biogas Process Assessed by Stable Isotope Analysis
Authors: Lv Zuopeng , Jiang Jihong , Liebetrau Jan , Richnow Hans Hermann , Fischer Anko , Ács Norbert , Nikolausz Marcell 
Published: January 2018

AbstractAnaerobic digestion of poultry manure poses many challenges due to ammonia inhibition by nitrogen‐containing compounds. Here, the effect of NH4Cl or urea‐induced inhibition was investigated in bioreactors fed with maize silage or cellulose and compared to previous experiments with chicken manure as ammonia source. The hydrogen and carbon stable isotope compositions of biogas samples were evaluated to assess the shifts in predominant methanogenic pathways during increasing ammonia inhibition. Due to the higher free ammonia concentrations, stronger inhibition was observed in the urea added reactors compared to the NH4Cl treated ones. Collectively, the results suggested that ammonium salts are not really appropriate to investigate ammonia inhibition during anaerobic digestion of manure.
Piecing it Together: An Additivity Scheme for Aromaticity using NICS‐XY Scans
Authors: Gershoni‐Poranne Renana 
Published: January 2018

AbstractAromatic compounds are prevalent in both nature and man‐made materials, yet their properties are still not fully understood and are therefore hard to predict. Herein, we introduce an additivity scheme for the prediction of the aromatic character of polycyclic aromatic hydrocarbons. Using a small set of building blocks and combination rules, we demonstrate the simple and intuitive construction of complete NICS‐XY‐scans for several test cases of one‐ and two‐dimensional systems comprising six‐membered rings. Partitioning the contribution of discrete building blocks provides insight into the aromatic character of these systems. The results obtained with this methodology provide a new perspective on the distribution of ring currents within polycyclic compounds and the effect of topology on the overall aromatic profile. The concept and strategy presented here are general and highly customizable. The scheme is easily applied to a wide range of interesting systems; it is especially beneficial for the investigation of large systems, as NICS‐XY‐scans are useful for their predictive utility with respect to optoelectronic and thermochemical properties.
Influence of Flexibility on the Separation of Chiral Isomers in STW‐Type Zeolite
Authors: Bueno‐Perez Rocio , Balestra Salvador R. G. , Camblor Miguel A. , Min Jung Gi , Hong Suk Bong , Merkling Patrick J. , Calero Sofia 
Published: January 2018

AbstractMolecular simulation, through the computation of adsorption isotherms, is a useful predictive tool for the selective capacity of nanoporous materials. Generally, adsorbents are modelled as rigid frameworks, as opposed to allowing for vibrations of the lattice, and this approximation is assumed to have negligible impact on adsorption. In this work, this approach was tested in an especially challenging system by computing the adsorption of the chiral molecules 2‐pentanol, 2‐methylbutanol and 3‐methyl‐2‐butanol in the all‐silica and germanosilicate chiral zeolites STW and studying their lattice vibrations upon adsorption. The analysis of single‐ and multicomponent adsorption isotherms showed the suitability of STW‐type zeolites as molecular sieves for chiral separation processes, which pose a challenging task in the chemical and pharmaceutical industries. Moreover, new experimental adsorption data validate the force field employed. The results reveal that the lattice vibrations of the all‐silica framework are sorbate‐independent, while those of germanosilicate STW show host–guest coupling modulated by uptake and sorbate type that disrupts the chiral recognition sites. This study indicates that the effects of intrinsic flexibility on the selective capacity of nanoporous materials may range from low to high impact, and some of them could not have been foreseen even after examination of the structural dynamics of an empty framework.
Fluorescent Polyvinylphosphonate Bioconjugates for Selective Cellular Delivery
Authors: Schwarzenböck Christina , Schaffer Andreas , Nößner Elfriede , Nelson Peter J. , Huss Ralf , Rieger Bernhard 
Published: January 2018

AbstractTo date, many poly(ethylene glycol) (PEG) and poly(N‐isopropylacrylamide) (PNIPAAm) biomolecule conjugates have been described, but they often show long response times, are not bio‐inert, or lose function in biological fluids. Herein, we present a modular synthetic approach to generate polyvinylphosphonate biomolecule conjugates. These conjugates exhibit a sharp phase transition temperature even under physiological conditions where few other examples with this property have been described to date. Furthermore, it was feasible to add biological functions to the polymers via the conjugation step. The polyvinylphosphonate cholesterol constructs are attached to the cellular membrane and the folic acid anchored polymers are shuttled into the cells. This is an exceptional finding through a straightforward synthetic approach.
On the asymmetric autocatalysis of aldol reactions: The case of 4‐nitrobenzaldehyde and acetone. A critical appraisal with a focus on theory
Authors: Romero‐Fernández M. Pilar , Babiano Reyes , Cintas Pedro 
Published: January 2018

AbstractUnder neutral conditions, spontaneous mirror symmetry breaking has been occasionally reported for aldol reactions starting from achiral reagents and conditions. Chiral induction might be interpreted in terms of autocatalysis exerted by chiral mono‐aldol or bis‐aldol products as source of initial enantiomeric excesses, which may account for such experimental observations. We describe here a thorough Density Functional Theory (DFT) study on this complex and otherwise difficult problem, which provides some insights into this phenomenon. The picture adds further rationale to an in‐depth analysis by Moyano et al, who showed the isolation and characterization of bis‐aldol adducts and their participation in a complex network of reversible steps. However, the lack of enantiodiscrimination (ees vanish rapidly in solution) suggests, according to the present results, a weak association in complexes formed by the catalysts and substrates. The latter would also be consistent with almost flat transition states having similar heights for competitive catalyst‐bound transition structures (actually, we were unable to locate them at the level explored). Overall, neither autocatalysis as once conjectured nor mutual inhibition of enantiomers appears to be operating mechanisms. Asymmetric amplification in early stages harnessing unavoidable enantiomeric imbalances in reaction mixtures of chiral products represents a plausible interpretation.
Logistics outsourcing in the healthcare sector: Lessons from a Canadian experience
Authors: Beaulieu Martin , Roy Jacques , Landry Sylvain 
Published: January 2018

AbstractLogistics activities are seen by many healthcare organizations as an opportunity for financial savings. The level of logistics complexity in these organizations may explain the challenges they face in applying solutions common in other industries. This case study of a medical‐supply distribution outsourcing initiative to a logistics services provider by a group of hospitals in a region of Canada helps elucidate this complexity. The objective of this article is to identify the dissonances between various points of view in order to articulate lessons for managers while taking into account the specifics of the healthcare sector. By examining information from several sources, this study shows the necessity of: 1) setting objectives and managing expectations in order to maintain the interest and participation of stakeholders throughout the project; 2) updating internal logistics processes prior to outsourcing; 3) carefully considering a gradual transition phase by ensuring short‐term benefits for both partners; 4) requiring problem‐solving skills as a selection criterion for the logistics services provider to ensure continuous improvement in the performance of the outsourced activity; and 5) developing a governance accountability framework to support problem solving between all parties involved. Copyright © 2018 ASAC. Published by John Wiley & Sons, Ltd.
Cytotechnologists as coinvestigators in anatomical pathology research
Authors: Kopp Karla J. , Passow Marie R. , Del Rosario Kristina M. , Christensen Michael R. , O’Shaughnessy John W. , Bartholet Mary K. , Francis Mary E. , Flotte Thomas J. 
Published: January 2018

BACKGROUNDThe amount of time available to pathologists with which to perform research is becoming limited due to an increasing manpower shortage in pathology, decreased reimbursement, and increased workload. This is occurring at the same time as demands escalate for pathologists to develop new companion tests, correlate the molecular findings with traditional methods, and assist in the development of individualized medicine. This study examined whether cytotechnologists may be integrated into a research team that uses their expertise in understanding pathology and clinical disease to provide interpretations of experiments that traditionally were performed by pathologists.METHODSCytotechnologists worked with pathologists to choose blocks for tissue microarrays (TMAs) and to interpret immunohistochemically stained TMA slides. The pathologist met with the cytotechnologist to review the study design. The cytotechnologists reviewed the slides and blocks and chose the most appropriate blocks for the TMA. Either 10% or all of the slides/blocks selected for TMA construction were reviewed by the supervising pathologist. The final selections were given to the TMA technologist to make the TMA. A minimum of 10% of the immunohistochemically stained TMA slides were reviewed by the supervising pathologist.RESULTSA total of 32 TMAs were created with 6 cytotechnologists collaborating with 6 pathologists. Immunohistochemical stains of 190 TMAs were interpreted by 4 cytotechnologists collaborating with 3 pathologists. All the TMAs and TMA interpretation data were used successfully for the research for which they were designed.CONCLUSIONSThe collaboration of cytotechnologists and pathologists in research can improve the quality of effort and increase satisfaction and productivity. Cancer Cytopathol 2018;126:232‐5. © 2018 American Cancer Society.
Noise segmentation for improving performance of Wiener filter method in spectral reflectance estimation
Authors: Mahmoudi Nahavandi Alireza 
Published: January 2018

AbstractNoise is an indispensable part of an imaging system. For having acceptable performance of reflectance estimation from digital signals, noise effects should be controlled. In this study a new method based on segmentation of noise is presented. Simulation and real experiments on four reflectance data sets showed that noise segmentation improves Wiener filter estimation method. However, oversegmentation can have reverse effect on the reflectance estimation results.
Ricci Curvature and Bochner Formulas for Martingales
Authors: Haslhofer Robert , Naber Aaron 
Published: January 2018

AbstractWe generalize the classical Bochner formula for the heat flow on M to martingales on the path space PM and develop a formalism to compute evolution equations for martingales on path space. We see that our Bochner formula on PM is related to two‐sided bounds on Ricci curvature in much the same manner that the classical Bochner formula on M is related to lower bounds on Ricci curvature. Using this formalism, we obtain new characterizations of bounded Ricci curvature, new gradient estimates for martingales on path space, new Hessian estimates for martingales on path space, and streamlined proofs of the previous characterizations of bounded Ricci curvature.© 2018 Wiley Periodicals, Inc.
Sub‐Ensemble Monitoring of DNA Strand Displacement Using Multiparameter Single‐Molecule FRET
Authors: Baltierra‐Jasso Laura E. , Morten Michael J. , Magennis Steven W. 
Published: January 2018

AbstractNon‐enzymatic DNA strand displacement is an important mechanism in dynamic DNA nanotechnology. Here, we show that the large parameter space that is accessible by single‐molecule FRET is ideal for the simultaneous monitoring of multiple reactants and products of DNA strand exchange reactions. We monitored the strand displacement from double‐stranded DNA (dsDNA) by single‐stranded DNA (ssDNA) at 37 °C; the data were modelled as a second‐order reaction approaching equilibrium, with a rate constant of 10 m−1 s−1. We also followed the displacement from a DNA three‐way junction (3WJ) by ssDNA. The presence of three internal mismatched bases in the middle of the invading strand did not prevent displacement from the 3WJ, but reduced the second‐order rate constant by about 50 %. We attribute strand exchange in the dsDNA and 3WJ to a zero‐toehold pathway from the blunt‐ended duplex arms. The single‐molecule approach demonstrated here will be useful for studying complex DNA networks.
Photochemical CO2 Reduction Catalyzed by Trans(Cl)‐[Ru(2,2′‐bipyridine)(CO)2Cl2] Bearing Two Methyl Groups at 4,4′‐, 5,5′‐ or 6,6′‐Positions in the Ligand
Authors: Kuramochi Yusuke , Itabashi Jun , Toyama Mari , Ishida Hitoshi 
Published: January 2018

AbstractPhotochemical CO2 reduction reactions catalyzed by trans(Cl)‐[Ru(L)(CO)2Cl2] (L=4,4′‐dimethyl‐2,2′‐bipyridine (Ru4 dmb), 5,5′‐dimethyl‐2,2′‐bipyridine (Ru5 dmb) or 6,6′‐dimethyl‐2,2′‐bipyridine (Ru6 dmb)) are investigated in N,N‐dimethylacetamide (DMA)/water (9:1 v/v) containing [Ru(bpy)3]2+ as the photosensitizer and 1‐benzyl‐1,4‐dihydronicotinamide (BNAH) as the electron donor. The reduction potentials and the density functional theory (DFT) calculations reveal quite similar results for the complexes, however their catalytic efficiencies are significantly different. Ru6 dmb selectively yields CO as the reduction product with lower catalytic rates than the others. Ru4 dmb and Ru5 dmb produce both CO and HCOO− at very similar activities when the catalyst concentration is low. However, the catalytic rates for Ru5 dmb are higher than those of Ru4 dmb at a higher concentration of the catalysts, where the rate‐determining step is not in the catalytic cycle but in the electron supplying one. The results are discussed in terms of back electron transfer from the catalyst to the photosensitizer or the cage escape yield for the sensitizer–catalyst encounter complex.
Cellular Structure Fabricated on Ni Wire by a Simple and Cost‐Effective Direct‐Flame Approach and Its Application in Fiber‐Shaped Supercapacitors
Authors: Wang Zhihong , Cao Fenhui , Chen Kongfa , Yan Yingming , Chen Yifu , Zhang Yaohui , Zhu Xingbao , Wei Bo , Xiong Yueping , Lv Zhe 
Published: January 2018

AbstractCellular metals with the large surface/volume ratios and excellent electrical conductivity are widely applicable and have thus been studied extensively. It is highly desirable to develop a facile and cost‐effective process for fabrication of porous metallic structures, and yet more so for micro/nanoporous structures. A direct‐flame strategy is developed for in situ fabrication of micron‐scale cellular architecture on a Ni metal precursor. The flame provides the required heat and also serves as a fuel reformer, which provides a gas mixture of H2, CO, and O2 for redox treatment of metallic Ni. The redox processes at elevated temperatures allow fast reconstruction of the metal, leading to a cellular structure on Ni wire. This process is simple and clean and avoids the use of sacrificial materials or templates. Furthermore, nanocrystalline MnO2 is coated on the microporous Ni wire (MPNW) to form a supercapacitor electrode. The MnO2/MPNW electrode and the corresponding fiber‐shaped supercapacitor exhibit high specific capacitance and excellent cycling stability. Moreover, this work provides a novel strategy for the fabrication of cellular metals and alloys for a variety of applications, including catalysis, energy storage and conversion, and chemical sensing.
Bifunctional Pyridinium‐Based Ionic‐Liquid‐Immobilized Diindium Tris(diphenic acid) Bis(1,10‐phenanthroline) for CO2 Fixation
Authors: Babu Robin , Kurisingal Jintu Francis , Chang Jong‐San , Park Dae‐Won 
Published: January 2018

AbstractA pyridinium‐based ionic‐liquid‐decorated 1 D metal–organic framework (MOF; IL–[In2(dpa)3(1,10‐phen)2]; IL=ionic liquid; dpa=diphenic acid; 1,10‐phen=1,10‐phenanthroline) was developed as a bifunctional heterogeneous catalyst system for CO2–oxirane coupling reactions. An aqueous–microwave route was employed to perform the hydrothermal reaction for the synthesis of the [In2(dpa)3(1,10‐phen)2] MOF, and the IL–[In2(dpa)3(1,10‐phen)2] catalyst was synthesized by covalent postfunctionalization. As a result of the synergetic effect of the dual‐functional sites, which include Lewis acid sites (coordinatively unsaturated In sites) and the I− ion in the IL functional sites, IL–[In2(dpa)3(1,10‐phen)2] displayed a high catalytic activity for CO2–epoxide cycloaddition reactions under mild and solvent‐free conditions. Microwave pulses were employed for the first time in MOF‐catalyzed CO2–epoxide cycloaddition reactions to result in a high turnover frequency of 2000–3100 h−1. The catalyst had an excellent reusability and maintained a continuous high selectivity. Furthermore, only a small amount of leaching was observed from the spent catalyst. A plausible reaction mechanism based on the synergistic effect of the dual‐functional sites that catalyze the CO2–epoxide cycloaddition reaction effectively is proposed.
Materials and Mechanisms of Photo‐Assisted Chemical Reactions under Light and Dark Conditions: Can Day–Night Photocatalysis Be Achieved?
Authors: Sakar M. , Nguyen Chinh‐Chien , Vu Manh‐Hiep , Do Trong‐On 
Published: January 2018

AbstractThe photoassisted catalytic reaction, conventionally known as photocatalysis, is expanding into the field of energy and environmental applications. It is widely known that the discovery of TiO2‐assisted photochemical reactions has led to several unique applications, such as degradation of pollutants in water and air, hydrogen production through water splitting, fuel conversion, cancer treatment, antibacterial activity, self‐cleaning glasses, and concrete. These multifaceted applications of this phenomenon can be enriched and expanded further if this process is equipped with more tools and functions. The term “photoassisted” catalytic reactions clearly emphasizes that photons are required to activate the catalyst; this can be transcended even into the dark if electrons are stored in the material for the later use to continue the catalytic reactions in the absence of light. This can be achieved by equipping the photocatalyst with an electron‐storage material to overcome current limitations in photoassisted catalytic reactions. In this context, this article sheds lights on the materials and mechanisms of photocatalytic reactions under light and dark conditions. The manifestation of such systems could be an unparalleled technology in the near future that could influence all spheres of the catalytic sciences.
Fabrication of Cu2O‐based Materials for Lithium‐Ion Batteries
Authors: Zhang Li , Li Qinyuan , Xue Huaiguo , Pang Huan 
Published: January 2018

AbstractThe improvement of the performance of advanced batteries has played a key role in the energy research community since its inception. Therefore, it is necessary to explore high‐performance materials for applications in advanced batteries. Among the variety of materials applied in batteries, much research has been dedicated to examine cuprous oxide materials as working electrodes in lithium cells to check their suitability as anodes for Li‐ion cells and this has revealed great working capacities because of their specific characteristics (polymorphic forms, controllable structure, high cycling capacity, etc.). Thus, cuprous oxide and its composites will be fully introduced in this Review for their applications in advanced batteries. It is believed that, in the future, both the study and the impact of cuprous oxide and its composites will be much more profound and lasting.
Hybrid Organic–Inorganic Anatase as a Bifunctional Catalyst for Enhanced Production of 5‐Hydroxymethylfurfural from Glucose in Water
Authors: Lanziano Carlos A. S. , Moya Silvia F. , Barrett Dean. H. , Teixeira‐Neto Erico , Guirardello Reginaldo , de Souto da Silva Felipe , Rinaldi Roberto , Rodella Cristiane B. 
Published: January 2018

AbstractHybrid organic–inorganic anatase (hybrid‐TiO2) is prepared by a facile hydrothermal synthesis method employing citric acid. The synthetic approach results in a high surface‐area nanocrystalline anatase polymorph of TiO2. The uncalcined hybrid‐TiO2 is directly studied as a catalyst for the conversion of glucose into 5‐hydroxymethylfurfural (HMF). In the presence of the hybrid‐TiO2, HMF yields up to 45 % at glucose conversions up to 75 % were achieved in water at 130 °C in a monophasic batch reactor. As identified by Ti K‐edge XANES, hybrid‐TiO2 contains a large fraction of fivefold coordinatively unsaturated TiIV sites, which act as the Lewis acid catalyst for the conversion of glucose into fructose. As citric acid is anchored in the structure of hybrid‐TiO2, carboxylate groups seem to catalyze the sequential conversion of fructose into HMF. The fate of citric acid bound to anatase and the TiIV Lewis acid sites throughout recycling experiments is also investigated. In a broader context, this contribution outlines the importance of hydrothermal synthesis for the creation of water‐resistant Lewis acid sites for the conversion of sugars. Importantly, the use of the hybrid‐TiO2 with no calcination step contributes to dramatically decreasing the energy consumption in the catalyst preparation.