bluuebunny/crossref_metadata_2025 huggingface dataset:
Incorporation of yellow pea flour into white pan bread
Authors: Paladugula Moorti Prabhakara , Smith Brennan , Morris Craig F. , Kiszonas Alecia
Published: April 2021

Background and objectives

With growing trends in health‐conscious consumers, pea flour has been investigated for incorporation into baked products. The objective of this study was to understand the effect of pea flour incorporation (0, 1, 2, 5, 10, and 20%) milled with a Miag Multomat mill into white pan bread. Bread and sensory quality were assessed.

Findings

Bread loaf volume was reduced with higher levels of pea flour incorporation. Texture, specific volume, and height were not significantly different between treatments until ≥10% w/w pea flour addition. Bread crust color was not affected by pea flour incorporation. Bread crumb color was redder, more yellow and slightly darker with pea flour addition. Crumb gas cell structure was indicative of gas cell coalescence with larger cells and thicker cell walls. Bread quality was assessed with a consumer sensory panel comprised of 60 individuals. Consumers could perceive differences between the control and pea flour containing breads. However, there were no major differences in overall acceptability between pea flour containing treatments. Even with 20% pea flour addition, pea flour can be used in conjunction with wheat to make a sensorially acceptable bread.

Conclusions

A high‐quality pea flour containing wheat bread can be made. At 20% pea flour incorporation, quality as defined by instrumental analyses decreases, while sensory analysis showed few differences between treatments.

Significance and novelty

Nutrient dense pea flour can be incorporated into wheat breads at a level of 20% with little effect on consumer acceptance.
Extraction of Chlorophylls and Carotenoids from Microalgae: COSMO‐SAC‐Assisted Solvent Screening
Authors: Valcareggi Morcelli Allan , da Silva Andrade Willian , Frankenberg Claudio Luis Crescente , Rech Rosane , Marcílio Nilson Romeu
Published: April 2021

Efficient pigment extraction is a key factor influencing the economic feasibility of microalgal biorefineries. Ethanol, acetone, ethyl acetate, and hexane were evaluated for the batch extraction of chlorophyll a, chlorophyll b, and carotenoids from Chlorella sorokiniana and Heterochlorella luteoviridis. Solvent‐to‐biomass ratios did not affect extraction results in most cases. Ethanol showed the highest efficiency in the recovery of chlorophylls, presenting high extraction yields. Acetone was among the most efficient solvents to extract violaxanthin, lutein, zeaxanthin, and carotene from both microalgae, proving to be generally suitable to this application. Conductor‐like screening model for real solvent segment activity (COSMO‐SAC) corroborated experimental results, proving to be an important tool in the screening of solvents for extraction processes.
Interplay Between Charge Accumulation and Oxygen Reduction Catalysis in Nanostructured TiO2 Electrodes Functionalized with a Molecular Catalyst
Authors: Kim Yee‐Seul , Kriegel Sébastien , Bessmertnykh‐Lemeune Alla , Harris Kenneth D. , Limoges Benoît , Balland Véronique
Published: April 2021

The catalytic reduction of O2 by a manganese(III) porphyrin immobilized in a nanostructured semiconductive transparent TiO2 electrode is here investigated by UV‐Vis spectroelectrochemistry in an aqueous buffered medium. Analysis of the operando spectroelectrochemical data, collected for both the immobilized catalyst and the TiO2 matrix, demonstrates the coexistence of two faradaic electrochemical processes, namely (i) irreversible interfacial electron transfer from TiO2 to the immobilized porphyrin triggering the catalytic reduction of O2, and (ii) reversible proton‐coupled electrochemical reduction of TiO2 leading to the accumulation of electrons in the TiO2 bulk. The competition between these two processes is modulated by the local concentration of O2, which itself varies with the rate of the catalysis. Indeed, when O2 is locally strongly depleted by catalysis, the process switches from catalysis to charge storage, like a battery. As a result, the electrons stored in TiO2 were observed to pursue the catalysis even after the electrode polarization was switched‐off (i. e., under open circuit). This is an overlooked phenomenon that we believe is important to consider in applications relying on metal oxide‐based photoelectrodes operating in aqueous media.
Low‐Temperature H2 Reduction of Copper Oxide Subnanoparticles
Authors: Sonobe Kazutaka , Tanabe Makoto , Imaoka Takane , Chun Wang‐Jae , Yamamoto Kimihisa
Published: April 2021

Subnanoparticles (SNPs) with sizes of approximately 1 nm are attractive for enhancing the catalytic performance of transition metals and their oxides. Such SNPs are of particular interest as redox‐active catalysts in selective oxidation reactions. However, the electronic states and oxophilicity of copper oxide SNPs are still a subject of debate in terms of their redox properties during oxidation reactions for hydrocarbons. In this work, in situ X‐ray absorption fine structure (XAFS) measurements of Cu28Ox SNPs, which were prepared by using a dendritic phenylazomethine template, during temperature‐programmed reduction (TPR) with H2 achieved lowering of the temperature (T50=138 °C) reported thus far for the CuII→CuI reduction reaction because of Cu−O bond elongation in the ultrasmall copper oxide particles.
A Rapid and Mild Sulfation Strategy Reveals Conformational Preferences in Therapeutically Relevant Sulfated Xylooligosaccharides
Authors: Vo Yen , Schwartz Brett D. , Onagi Hideki , Ward Jas S. , Gardiner Michael G. , Banwell Martin G. , Nelms Keats , Malins Lara R.
Published: April 2021

Although sulfated xylooligosaccharides are promising therapeutic leads for a multitude of afflictions, the structural complexity and heterogeneity of commercially deployed forms (e. g. Pentosan polysulfate 1) complicates their path to further clinical development. We describe herein the synthesis of the largest homogeneous persulfated xylooligomers prepared to date, comprising up to eight xylose residues, as standards for biological studies. Near quantitative sulfation was accomplished using a remarkably mild and operationally simple protocol which avoids the need for high temperatures and a large excess of the sulfating reagent. Moreover, the sulfated xylooligomer standards so obtained enabled definitive identification of a pyridinium contaminant in a sample of a commercially prepared Pentosan drug and provided significant insights into the conformational preferences of the constituent persulfated monosaccharide residues. As the spatial distribution of sulfates is a key determinant of the binding of sulfated oligosaccharides to endogenous targets, these findings have broad implications for the advancement of Pentosan‐based treatments.
Comprehensive Characterization of the Self‐Folding Cavitand Dynamics
Authors: López‐Coll Ricard , Álvarez‐Yebra Rubén , Feixas Ferran , Lledó Agustí
Published: April 2021

The conformational equilibria and guest exchange process of a resorcin[4]arene derived self‐folding cavitand receptor have been characterized in detail by molecular dynamics simulations (MD) and 1H EXSY NMR experiments. A multi‐timescale strategy for exploring the fluxional behaviour of this system has been constructed, exploiting conventional MD and accelerated MD (aMD) techniques. The use of aMD allows the reconstruction of the folding/unfolding process of the receptor by sampling high‐energy barrier processes unattainable by conventional MD simulations. We obtained MD trajectories sampling events occurring at different timescales from ns to s: 1) rearrangement of the directional hydrogen bond seam stabilizing the receptor, 2) folding/unfolding of the structure transiting partially open intermediates, and 3) guest departure from different folding stages. Most remarkably, reweighing of the biased aMD simulations provided kinetic barriers that are in very good agreement with those determined experimentally by 1H NMR. These results constitute the first comprehensive characterization of the complex dynamic features of cavitand receptors. Our approach emerges as a valuable rational design tool for synthetic host‐guest systems
Rhodium‐Mediated Stoichiometric Synthesis of Mono‐, Bi‐, and Bis‐1,2‐Azaborinines: 1‐Rhoda‐3,2‐azaboroles as Reactive Precursors
Authors: Heß Merlin , Krummenacher Ivo , Dellermann Theresa , Braunschweig Holger
Published: April 2021

A series of highly substituted 1,2‐azaborinines, including a phenylene‐bridged bis‐1,2‐azaborinine, was synthesized from the reaction of 1,2‐azaborete rhodium complexes with variously substituted alkynes. 1‐Rhoda‐3,2‐azaborole complexes, which are accessible by phosphine addition to the corresponding 1,2‐azaborete complexes, were also found to be suitable precursors for the synthesis of 1,2‐azaborinines and readily reacted with alkynyl‐substituted 1,2‐azaborinines to generate new regioisomers of bi‐1,2‐azaborinines, which feature directly connected aromatic rings. Their molecular structures, which can be viewed as boron‐nitrogen isosteres of biphenyls, show nearly perpendicular 1,2‐azaborinine rings. The new method using rhodacycles instead of 1,2‐azaborete complexes as precursors is shown to be more effective, allowing the synthesis of a wider range of 1,2‐azaborinines.
Trifaceted Mickey Mouse Amphiphiles for Programmable Self‐Assembly, DNA Complexation and Organ‐Selective Gene Delivery
Authors: Carbajo‐Gordillo Ana I. , González‐Cuesta Manuel , Jiménez Blanco José L. , Benito Juan M. , Santana‐Armas María L. , Carmona Thais , Di Giorgio Christophe , Przybylski Cédric , Ortiz Mellet Carmen , Tros de Ilarduya Conchita , Mendicuti Francisco , García Fernández José M.
Published: April 2021

Instilling segregated cationic and lipophilic domains with an angular disposition in a trehalose‐based trifaceted macrocyclic scaffold allows engineering patchy molecular nanoparticles leveraging directional interactions that emulate those controlling self‐assembling processes in viral capsids. The resulting trilobular amphiphilic derivatives, featuring a Mickey Mouse architecture, can electrostatically interact with plasmid DNA (pDNA) and further engage in hydrophobic contacts to promote condensation into transfectious nanocomplexes. Notably, the topology and internal structure of the cyclooligosaccharide/pDNA co‐assemblies can be molded by fine‐tuning the valency and characteristics of the cationic and lipophilic patches, which strongly impacts the transfection efficacy in vitro and in vivo. Outstanding organ selectivities can then be programmed with no need of incorporating a biorecognizable motif in the formulation. The results provide a versatile strategy for the construction of fully synthetic and perfectly monodisperse nonviral gene delivery systems uniquely suited for optimization schemes by making cyclooligosaccharide patchiness the focus.
Optimizing Fe‐Based Metal‐Organic Frameworks through Ligand Conformation Regulation for Efficient Dye Adsorption and C2H2/CO2 Separation
Authors: Zhang Xiurong , Fan Weidong , Jiang Weifeng , Li Yue , Wang Yutong , Fu Mingyue , Sun Daofeng
Published: April 2021

Regulating the structure of metal‐organic frameworks (MOFs) by adjusting the ligands reasonably is expected to enhance the interaction of MOFs on special molecules/ions, which has significant application value for the selective adsorption of guest molecules. Herein, two tricarboxylic ligands H3L−Cl and H3L−NH2 were designed and synthesized based on the ligand H3TTCA by replacing part of the benzene rings with C=C bonds and modifying the chlorine and amino groups on the 4‐position of the benzene ring. Two 3D Fe‐MOFs (UPC‐60‐Cl and UPC‐60‐NH2) with the new topology types were constructed. As the C=C bonds of the ligands have flexible torsion angles, UPC‐60‐Cl features three types of irregular 2D channels, while UPC‐60‐NH2 has a cage with two types of windows on the surface. The synergistic effect of unique channels and modification of functional groups endows UPC‐60‐Cl and UPC‐60‐NH2 with high adsorption capacity for organic dyes. Compound UPC‐60‐Cl shows high adsorption capacity for CV (147.2 mg g−1), RHB (100.3 mg g−1), and MO (220.9 mg g−1), whereas UPC‐60‐NH2 exhibits selective adsorption of MO (158.7 mg g−1). Meanwhile, based on the diverse pore structure and modification of active sites, UPC‐60‐Cl and UPC‐60‐NH2 show the selective separation of equimolar C2H2/CO2. Therefore, reasonable regulation of organic ligands plays a significant role in guiding the structure diversification and performance improvement of MOFs.
Radiochromic Hydrogen‐Bonded Organic Frameworks for X‐ray Detection
Authors: Khanpour Mojtaba , Deng Wen‐Zhou , Fang Zhi‐Bin , Li Yu‐Lin , Yin Qi , Zhang An‐An , Rouhani Farzaneh , Morsali Ali , Liu Tian‐Fu
Published: April 2021

Porous materials have been investigated as efficient photochromic platforms for detecting hazardous radiation, while the utilization of hydrogen bonded organic frameworks (HOFs) in this field has remained intact. Herein, two HOFs were synthesized through self‐assembly of tetratopic viologen ligand and formic acid (PFC‐25, PFC‐26), as a new class of “all‐organic” radiochromic smart material, opening a gate for HOFs in this field. PFC‐26 is active upon both X‐ray and UV irradiation, while PFC‐25 is only active upon X‐ray irradiation. The same building block yet different radiochromic behaviors of PFC‐25 and PFC‐26 allow us to gain a deep mechanistic understanding of the factors that control the detection specificity. Theoretical and experimental studies reveal that the degree of π‐conjugation of viologen ligand is highly related to the threshold energy of triggering a charge transfer, therefore being a vital factor for the particularity of radiochromic materials. Thanks to its convenient processibility, nanoparticle size, and UV silence, PFC‐25 can be further fabricated into a portable naked‐eye sensor for X‐ray detection, which shows obvious color change with the merits of high transmittance contrast, good sensitivity (reproducible dose threshold of 3.5 Gy), and excellent stability. The work exhibits the promising practical potentials of HOF materials in photochromic technology.
Prostate cancer survivorship, deaths, and health care management
Authors: Bauer Joseph E.
Published: April 2021

In this issue of Cancer, Weiner et al present a US population–based analysis of the causes of death in prostate cancer survivors. Thoughts are presented on how their results can bring value to clinical practitioners, especially primary care physicians, who work on managing the health care of prostate cancer survivors in the complex environment of the COVID‐19 pandemic.
Regulating the Kinetics of DNA Attachment: Construction of Defined Clusters with High DNA Density and Strong Plasmonic Coupling
Authors: Dong Qiang , Zhou Kaixuan , Deng Ning , Wu Xiaojing , Mao Chengde , Li Yulin
Published: April 2021

Regulating the kinetics of DNA grafting with certain control could provide good opportunities for constructing novel nanomaterials. However, it is rarely explored. Herein we report a facile strategy to regulate the kinetics of DNA attachment by simply adjusting the concentration of DNA or the pH value of solution, effectively fabricating strongly coupled clusters with dense DNA grafting in a one‐pot process. Gold nanoparticle/nanorod dimers and trimers with dense DNA coverage were successfully obtained with high purity after a simple electrophoretic isolation and exhibited excellent stability, programmable assembly ability and strong plasmonic coupling property, which would have great potential in various areas, including sensing, catalysis and biomedicine.
Scheduling of workflow jobs based on twostep clustering and lowest job weight
Authors: Al‐Najjar Hazem , Alhady S. S. N. , Mohamad‐Saleh Junita , Al‐Rousan Nadia
Published: April 2021

Scheduling is an important technique to improve the productivity of workflow applications in a grid system. Serving workflow applications added overhead on the scheduling system since the scheduler should choose the best zero‐dependent job that improves the performance of a grid system. This paper proposes two dependent job scheduling algorithms based on analyzing the effect of categorical and continuous variables of the job, which are used in the calculation of job weight. To find the job weight, twostep clustering is used with 10 groups and the ranking equation. In addition, to verify the ability to apply the proposed algorithms in a real environment, weighted least squares estimation is used. The results showed that the prediction rate is equal to 99.88%, which indicates that the proposed algorithms could be applied in a real grid system with low overhead. Through simulations and after testing the proposed algorithms, the average results showed that the Dependent Job Scheduling (DJS) algorithm outperformed the previous algorithms, in total execution time and an average waiting time with an improvement value of 1.18 and 1.92 times, respectively. While DJS algorithm with weighting factor (DJSJP) outperformed the previous algorithms in total execution time only with an improvement value equal to 1.17 times. The overall results indicated that the proposed algorithms are efficient to be used in a grid system, besides four bits are sufficient to improve the performance of the job scheduling system.
Internet of Vehicles: Architecture, services, and applications
Authors: Abbasi Shirin , Rahmani Amir Masoud , Balador Ali , Sahafi Amir
Published: April 2021

The connection between objects and information exchange has been possible in recent years, with the advent of the Internet of Things (IoT) in different industries. We can meet different requirements in each industry utilizing this feature. Intelligent transportation uses the Internet of Vehicles (IoV) as a solution for communication among vehicles. It improves traffic management applications and services to guarantee safety on roads. We categorize services, applications, and architectures and propose a taxonomy for IoV. Then, we study open issues and challenges for future works. We highlighted applications and services due to drivers' requirements and nonfunctional requirements, considering the qualitative characteristic. This paper summarizes the current state of the IoV in architectures, services, and applications. It can be a start view to provide the solutions for challenges in traffic management in cities. The present study is beneficial for smart city developments and management. According to this paper's result, the services and applications evaluate performance with 34% frequency, safety and data accuracy, and security with a 13% frequency in selected papers. These measurements are essential due to the IoV characteristics such as real‐time operation, accident avoidance in applications, and complicated user data management.
Urinary peptides in heart failure: a link to molecular pathophysiology
Authors: He Tianlin , Mischak Michaela , Clark Andrew L. , Campbell Ross T. , Delles Christian , Díez Javier , Filippatos Gerasimos , Mebazaa Alexandre , McMurray John J.V. , González Arantxa , Raad Julia , Stroggilos Rafael , Bosselmann Helle S. , Campbell Archie , Kerr Shona M. , Jackson Colette E. , Cannon Jane A. , Schou Morten , Girerd Nicolas , Rossignol Patrick , McConnachie Alex , Rossing Kasper , Schanstra Joost P. , Zannad Faiez , Vlahou Antonia , Mullen William , Jankowski Vera , Mischak Harald , Zhang Zhenyu , Staessen Jan A. , Latosinska Agnieszka
Published: April 2021

Aims

Heart failure (HF) is a major public health concern worldwide. The diversity of HF makes it challenging to decipher the underlying complex pathological processes using single biomarkers. We examined the association between urinary peptides and HF with reduced (HFrEF), mid‐range (HFmrEF) and preserved (HFpEF) ejection fraction, defined based on the European Society of Cardiology guidelines, and the links between these peptide biomarkers and molecular pathophysiology.

Methods and results

Analysable data from 5608 participants were available in the Human Urinary Proteome database. The urinary peptide profiles from participants diagnosed with HFrEF, HFmrEF, HFpEF and controls matched for sex, age, estimated glomerular filtration rate, systolic and diastolic blood pressure, diabetes and hypertension were compared applying the Mann–Whitney test, followed by correction for multiple testing. Unsupervised learning algorithms were applied to investigate groups of similar urinary profiles. A total of 577 urinary peptides significantly associated with HF were sequenced, 447 of which (77%) were collagen fragments. In silico analysis suggested that urinary biomarker abnormalities in HF principally reflect changes in collagen turnover and immune response, both associated with fibrosis. Unsupervised clustering separated study participants into two clusters, with 83% of non‐HF controls allocated to cluster 1, while 65% of patients with HF were allocated to cluster 2 (P < 0.0001). No separation based on HF subtype was detectable.

Conclusions

Heart failure, irrespective of ejection fraction subtype, was associated with differences in abundance of urinary peptides reflecting collagen turnover and inflammation. These peptides should be studied as tools in early detection, prognostication, and prediction of therapeutic response.
Synthesis, Staructure and Redox Properties of Cu(II) Chelate Complexes on the Basis of 2‐(Hydroxyphenyl)‐1H‐benzo[d]imidazol‐1‐yl Phenol Ligands
Authors: Ivakhnenko Eugeny P. , Knyazev Pavel A. , Vitkovskaya Yulia G. , Popov Leonid D. , Lyssenko Konstantin A. , Demidov Oleg P. , Starikov Andrey G. , Borodkin Gennady S. , Minkin Vladimir I.
Published: April 2021

A series of 2‐(hydroxyphenyl)‐1H‐benzo[d]imidazols bearing readily oxidizable 2,6‐di‐tert‐butyl‐phenol substituents and bis‐chelate Cu(II) complexes based on these ligands were synthesized. The structure of the compounds was characterized by NMR, IR, mass spectroscopy and X‐ray crystallographic analysis and redox behavior explored using ESR spectra and cyclic voltammetry. Under oxidation with PbO2 in toluene solution both the ligands and Cu(II) complexes form stable phenoxyl‐type radicals. As shown by ESR measurements and DFT calculations, no exchange interaction exists between unpaired electrons located on metal and oxygen centers in the biradical Cu (II) complexes. The ligands and complexes reveal antioxidant radical scavenging activity measured spectrophotometrically and using ESR and DPPH‐tests.
Amination of Aryl Halides Mediated by Electrogenerated Nickel from Sacrificial Anode
Authors: Daili Farah , Sengmany Stéphane , Léonel Eric
Published: April 2021

Electrochemical C(sp2)−N couplings mediated by nickel salts generated from the sacrificial anode has been described for the first time. In this approach, the sacrificial nickel anode is employed as the sole source of nickel and the process, operationally simple to set up, enables the preparation of functionalized arylamine derivatives with moderate to good yields, under mild reaction conditions and without additional ligand. A cooperative process between the two electrodes is involved in the proposed mechanism.
Chiral Self‐Sorting of Diformylated N‐Hetero‐ortho‐phenylene Hexamers by Macrocyclization with Aromatic Diamines
Authors: Hamada Yoshihiro , Tokoro Yuichiro , Oyama Toshiyuki
Published: April 2021

Abstract: Diformylated N‐Hetero‐ortho‐phenylene hexamers (4 a and 4 b) were prepared from 2,3‐dichloropyrydine by palladium‐catalyzed coupling reactions and deprotection. Three helical conformers of 4, corresponding to the rotations of the terminal phenylenes, were observed in 1H‐NMR spectra of solution state. Chiral self‐sorting of 4 a occurred by macrocyclization with para‐phenylenediamine in the presence of para‐toluenesulfonic acid. The homochiral structure (PP and MM) containing two N‐hetero‐ortho‐phenylene hexamer (N‐oP6) moieties was revealed by 1H‐NMR and mass spectra, as well as single‐crystal X‐ray analysis. Using (+)‐ or (−)‐camphorsulfonic acid was also effective in the formation of the homochiral macrocycle and also induced a chiral bias in the helical folding of N‐oP6 moieties. Moreover, planar chiral self‐sorting of the bridged moieties was also achieved by using 4 a and 1,5‐diaminonaphthalene.
Lewis Base‐Brønsted Acid Co‐catalyzed Morita‐Baylis‐Hillman Reaction of Cyclic Sulfamidate Imines
Authors: Khassenova Gaukhar , García Mancheño Olga
Published: April 2021

A Lewis base‐Brønsted acid co‐catalyzed Morita‐Baylis‐Hillman reaction of cyclic sulfamidate imines with acrylate‐type Michael acceptors has been developed. The combination of equimolecular catalytic amounts of DABCO and acetic acid proved highly efficient and tolerated well a wide range of Michael acceptors and substituted 6‐membered ring sulfamidate imines, as well as a sultam derivative. The reaction provides a straightforward access to sulfamidates bearing α,β‐unsaturated chains, which allows for the further functionalization of the products. Moreover, the robustness and applicability of the method was demonstrated by performing a gram scale reaction and further functionalization of the MBH‐adducts.
Thiazolo[5,4‐f]quinoxalines, Oxazolo[5,4‐f]quinoxalines and Pyrazino[b,e]isatins: Synthesis from 6‐Aminoquinoxalines and Properties
Authors: Lassagne Frédéric , Sims Joshua M. , Erb William , Mongin Olivier , Richy Nicolas , El Osmani Nour , Fajloun Ziad , Picot Laurent , Thiéry Valérie , Robert Thomas , Bach Stéphane , Dorcet Vincent , Roisnel Thierry , Mongin Florence
Published: April 2021

The regioselective iodination of different 2‐mono‐, 3‐mono‐ and 2,3‐disubstituted 6‐aminoquinoxalines, which takes place at their 5‐position, was rationalized on the basis of Hückel theory calculations. Oxazolo‐ and thiazolo[5,4‐f]quinoxaline analogues of reported disease‐related protein kinases inhibitors were synthesized from the obtained 6‐amino‐5‐iodoquinoxalines by using as key step copper‐catalyzed azole ring formation. Pyrazino[b,e]isatins were obtained, for the first time, from the same substrates by recourse to Sonogashira coupling, alkyne hydration, and oxidative cyclization. The absorption and emission properties of the most promising compounds were recorded. In addition, most of the synthesized polycycles were evaluated as protein kinase inhibitors and for their antiproliferative activity towards cancer cells.
[Zinc(II)(Pyridine‐Containing Ligand)] Complexes as Single‐Component Efficient Catalyst for Chemical Fixation of CO2 with Epoxides
Authors: Cavalleri Matteo , Panza Nicola , di Biase Armando , Tseberlidis Giorgio , Rizzato Silvia , Abbiati Giorgio , Caselli Alessandro
Published: April 2021

The reaction between epoxides and CO2 to yield cyclic carbonates is efficiently promoted under solvent‐free and relatively mild reaction conditions (0.5 mol % catalyst loading, 0.8 MPa, 125 °C) by zinc(II) complexes of pyridine containing macrocyclic ligands (Pc−L pyridinophanes). The zinc complexes have been fully characterized, including X‐ray structural determination. The [Zn(II)X(Pc−L)]X complexes showed good solubility in several polar solvents, including cyclic carbonates. The scope of the reaction under solvent‐free conditions has been studied and good to quantitative conversions with excellent selectivities have been obtained, starting from terminal epoxides. When solvent‐free conditions were not possible (solid epoxides or low solubility of the catalyst in the oxirane) the use of cyclic carbonates as solvents has been successfully investigated. The remarkable stability of the catalytic system has been demonstrated by a series of consecutive runs.
Lateral terrestrial water flow contribution to summer precipitation at continental scale – A comparison between Europe and West Africa with WRF‐Hydro‐tag ensembles
Authors: Arnault Joël , Fersch Benjamin , Rummler Thomas , Zhang Zhenyu , Quenum Gandome Mayeul , Wei Jianhui , Graf Maximilian , Laux Patrick , Kunstmann Harald
Published: April 2021

It is well accepted that summer precipitation can be altered by soil moisture condition. Coupled land surface – atmospheric models have been routinely used to quantify soil moisture – precipitation feedback processes. However, most of the land surface models (LSMs) assume a vertical soil water transport and neglect lateral terrestrial water flow at the surface and in the subsurface, which potentially reduces the realism of the simulated soil moisture – precipitation feedback. In this study, the contribution of lateral terrestrial water flow to summer precipitation is assessed in two different climatic regions, Europe and West Africa, for the period June–September 2008. A version of the coupled atmospheric‐hydrological model WRF‐Hydro with an option to tag and trace land surface evaporation in the modelled atmosphere, named WRF‐Hydro‐tag, is employed. An ensemble of 30 simulations with terrestrial routing and 30 simulations without terrestrial routing is generated with random realizations of turbulent energy with the stochastic kinetic energy backscatter scheme, for both Europe and West Africa. The ensemble size allows to extract random noise from continental‐scale averaged modelled precipitation. It is found that lateral terrestrial water flow increases the relative contribution of land surface evaporation to precipitation by 3.6% in Europe and 5.6% in West Africa, which enhances a positive soil moisture – precipitation feedback and generates more uncertainty in modelled precipitation, as diagnosed by a slight increase in normalized ensemble spread. This study demonstrates the small but non‐negligible contribution of lateral terrestrial water flow to precipitation at continental scale.
Influence of groundwater and topography on stream drying in semi‐arid headwater streams
Authors: Warix Sara R. , Godsey Sarah E. , Lohse Kathleen A. , Hale Rebecca L.
Published: April 2021

Non‐perennial streams comprise over half of the global stream network and impact downstream water quality. Although aridity is a primary driver of stream drying globally, surface flow permanence varies spatially and temporally within many headwater streams, suggesting that these complex drying patterns may be driven by topographic and subsurface factors. Indeed, these factors affect shallow groundwater flows in perennial systems, but there has been only limited characterisation of shallow groundwater residence times and groundwater contributions to intermittent streams. Here, we asked how groundwater residence times, shallow groundwater contributions to streamflow, and topography interact to control stream drying in headwater streams. We evaluated this overarching question in eight semi‐arid headwater catchments based on surface flow observations during the low‐flow period, coupled with tracer‐based groundwater residence times. For one headwater catchment, we analysed stream drying during the seasonal flow recession and rewetting period using a sensor network that was interspersed between groundwater monitoring locations, and linked drying patterns to groundwater inputs and topography. We found a poor relationship between groundwater residence times and flowing network extent (R2 < 0.24). Although groundwater residence times indicated that old groundwater was present in all headwater streams, surface drying also occurred in each of them, suggesting old, deep flowpaths are insufficient to sustain surface flows. Indeed, the timing of stream drying at any given point typically coincided with a decrease in the contribution from near‐surface sources and an increased relative contribution of groundwater to streamflow at that location, whereas the spatial pattern of drying within the stream network typically correlated with locations where groundwater inputs were most seasonally variable. Topographic metrics only explained ~30% of the variability in seasonal flow permanence, and surprisingly, we found no correlation with seasonal drying and down‐valley subsurface storage area. Because we found complex spatial patterns, future studies should pair dense spatial observations of subsurface properties, such as hydraulic conductivity and transmissivity, to observations of seasonal flow permanence.
What is behind the closed door? A case illustration of working with social isolation in adolescents using Adaptive Mentalization‐Based Integrative Treatment (AMBIT)
Authors: Jensen Stefan Lock , Bo Sune , Vilmar Janne W.
Published: April 2021

Background: In this paper, we outline our approach to dealing with complex social isolation by presenting a network treatment approach named Adaptive Mentalization‐Based Integrative Treatment (AMBIT).

Method: We describe the AMBIT approach, what elements it consists of, and we explain how we employed this method in the case of a 17‐year‐old boy referred to our child and adolescent psychiatric clinic, who isolated himself from the world.

Results: We emphasize in which ways the specific network approach pertinent to the AMBIT approach was helpful in this complex case. Furthermore, we describe and reveal our insecurities and doubts related to our interventions and the general treatment process and point to why the AMBIT network approach and the interventions were crucial in this case.

Discussion: We argue that the boy could not have been helped out of his social isolation within the conventional child and adolescent psychiatric system without engaging and establishing an integrated professional network from many sectors.
Spanish version of Super Skills for Life in individual modality: Improvement of children's emotional well‐being from a transdiagnostic approach
Authors: Melero Silvia , Orgilés Mireia , Espada José P. , Morales Alexandra
Published: April 2021

Objective(s)

This study analyzed the short‐term effects of the Super Skills for Life (SSL) program in its individual format from the parents' perspective.

Methods

Parents of 70 Spanish children aged 8–11 years (M = 9.31; SD = 1.16) completed assessment instruments about their children's emotional state at the baseline and postintervention.

Results

Analyses revealed significantly lower scores in depression (The Mood and Feelings Questionnaire), anxiety, and specific disorders (The Spence Children's Anxiety Scale) (i.e., panic attack/agoraphobia, separation anxiety, social phobia, and generalized anxiety). Significant improvements were also found in anxiety life interference at home (The Child Anxiety Life Interference Scale), total difficulties, internalized and externalized problems, emotional symptoms, peer problems, and hyperactivity/inattention (The Strengths and Difficulties Questionnaire) at posttest. SSL was effective in reducing psychopathological symptoms similarly in both girls and boys.

Conclusions

These promising results provide preliminary support for the usefulness of the SSL program in individual format for the indicated prevention of children's emotional problems. This study provides a valuable resource for research and clinical practice.
Depression in Belgian first‐year university students: A longitudinal study of self‐definition, interpersonal relatedness, mentalizing, and integration
Authors: De Coninck David , Matthijs Koen , Luyten Patrick
Published: April 2021

Despite evidence of increasing prevalence of depression in university students, few studies investigated how depression evolves over the first months at university. We investigate severity of depression among first‐year university students during their first semester at university, and whether it was associated with impairments in personality, mentalizing (or reflective functioning), and social and academic integration. Participants in this two‐wave prospective study were 377 Belgian first‐year students in 2018 and 2019. Results showed that maladaptive interpersonal relatedness and self‐definition at the start of the first semester (T1) were prospectively associated with increases in the prevalence and severity of depression at the end of the semester (T2). Uncertainty, but not certainty, with regard to mentalizing was positively associated with severity of depression at T2 and mediated the association between personality dimensions and severity of depression. The implications of these findings for depression prevention and intervention strategies in first‐year university students are discussed.
Geospatial analysis of the global growth of community psychology: Geographic proximity and socioeconomic and political indicators
Authors: Ozgurer Mehmet Reha , Perkins Douglas D.
Published: April 2021

Data on 105 countries from the Global Development of Applied Community Studies project and a geographic information system (ArcGIS) were used to map and identify spatial patterns in the international growth of community psychology, as measured by professional associations and conferences, graduate and undergraduate programs and courses, and publications. Our primary aim was to analyze the field's global development, emphasizing professional training and research products, in the context of geographic proximity and theories of knowledge transfer and knowledge spillover. The results of Hot Spot Analysis and Cluster and Outlier Analysis spatially confirmed our hypothesis, revealing statistically significant hot spots of the strength of community psychology in the countries sharing borders. Hierarchical regression analysis found that the strength of community psychology in neighboring countries significantly predicted the development of community psychology beyond the influence of population size, Human Development Index, freedom score, and a history of grassroots activism. Implications for theory, research, and international professional and student exchanges are discussed.
Nano‐chitosan as an antimicrobial agent in preservative solutions for cut flowers
Authors: Spricigo Poliana C , Pilon Lucimeire , Trento Jéssica P , de Moura Márcia R , Bonfim Kely S , Mitsuyuki Milene C , Mattoso Luiz H C , Ferreira Marcos D
Published: April 2021

BACKGROUND

Cut flowers require proper postharvest stem hydration to prolong vase life. Nano‐sized chitosan is an effective antimicrobial agent that has several potential agricultural applications. In this study, we compared the efficacies of solutions containing chitosan nanoparticles, regular chitosan particles, citric acid, and distilled and tap water controls in treating cut gerbera inflorescences during postharvest storage. Relative water uptake (RWU), transpiration rate (TR), water balance (WB), ligule color, solution pH, stem bending, stem‐end blockage, and counts of bacteria, mold and yeast were investigated.

RESULTS

The solution containing chitosan nanoparticles prevented stem bending, enabled higher RWU (41.8 g kg−1 day−1), established a suitable WB, and controlled microbial growth more efficiently than the other solutions. The chitosan nanoparticle solution strongly inhibited molds and yeasts.

CONCLUSION

The results of this study demonstrated that nano‐chitosan is a promising postharvest preservative for cut gerbera inflorescences. © 2021 Society of Chemical Industry (SCI).
Decompositions of Taylor diagram and DISO performance criteria
Authors: Zhou Qiming , Chen Deliang , Hu Zengyun , Chen Xi
Published: April 2021

Taylor diagram has been frequently used to evaluate climate or hydrology models or data. A Taylor diagram summarizes three frequently used metrics including correlation coefficient (CC), standard deviation (STD), and centred root mean square error (RMSEc). Although these three metrics are relevant metrics for some applications, in some cases, additional indicators are needed, which calls for a new method. This study firstly addressed the short comments about the distance between indices of simulation and observation (DISO) described in a previous study. Secondly, the number of statistical metrics of DISO is extended from 3 to more than 3. The statistical metrics of the expanded DISO are more flexible than the Taylor diagram which uses the three fixed metrics. Thirdly, the current work compares the Taylor diagram with the expanded DISO in terms of their theoretical bases, revealing the advantage of DISO in terms of its flexibility in the selection of different types of metrics, and its suitability as an effective single metric to express a model's or dataset's overall quality. The power and flexibility of the expanded DISO are discussed.
A time in motion study of impact of robotics on medication supply in an Australian hospital pharmacy
Authors: Hogan Jane M. , Grant Gary , Kelly Fiona S. , O’Hare Jennie R.
Published: April 2021

Background

Pharmacy robotics have been implemented globally to create medication management efficiencies. However, translation to the Australian public hospital environment has not been evaluated.

Aim

To evaluate the impact of introducing robotics in an Australian public hospital on pharmacy imprest and dispensary tasks.

Method

A single‐centred, prospective, longitudinal time in motion study was conducted in an Australian tertiary public hospital using mixed methods during robot implementation (phase 1, May 2016) and 15 months later (phase 2, August 2017). Time‐stamped video footage of dispensary activities was collected, observed and analysed; Fitbit Zip® anonymously tracked pharmacy assistant movement. Dispensing software (iPharmacy®) provided the location of stocked medication and electronic tracking databases provided imprest turnaround times (ethics approval: HREC/16/QGC/66, HREC/17/QGC/18).

Results

Medication stored in the robot was limited to 46% (n = 20 771 full packs) of total pharmacy holdings (n = 45 437 full packs). At baseline, 774 orders were received in the dispensary over five days increasing by 13% to 887 in phase 2 (p < 0.01). Dispensary workload increased, staff levels remained constant and movement was reduced. However, there were no significant changes to dispensing rates and turnaround times.

Conclusion

Pharmacy robotics has the potential to absorb increased workload and reduce staff movement in the dispensary when staffing levels remain constant. However, turnaround times alone are too simplistic as a sole measure of benefits of robotics in Australian public hospital pharmacy.
Ultra‐rapid capillary zone electrophoresis method for simultaneous determination of arginine and ibuprofen
Authors: do Prado Aliceana Almeida , Ribeiro Michelle Miranda Araújo Carvalho , Richter Eduardo Mathias
Published: April 2021

The combination of arginine and ibuprofen is widely used for pain relief with a faster onset of action than conventional ibuprofen. Therefore, the determination of both compounds in a single run is highly desirable for rapid quality control applications. This paper reports an ultra‐fast method (100 injections/h) for simultaneous determination of arginine and ibuprofen using capillary electrophoresis with capacitively coupled contactless conductivity detection. The separation of arginine as cation and ibuprofen as anion was achieved using a background electrolyte composed by an equimolar mixture of 10 mmol/L of 2‐(cyclohexylamino) ethanesulfonic acid and boric acid with pH adjusted to 8.4 using potassium hydroxide. The limits of detections were 5.3 and 10.0 μmol/L for arginine and ibuprofen, respectively. The proposed method is simple, fast (one analysis every 35 s), environmentally friendly (minimal waste generation) and accurate (recovery values between 95 and 98%).
Prediction of Speech, Swallowing, and Quality of Life in Oral Cavity Cancer Patients: A Pilot Study
Authors: Bulbul Mustafa G. , Wu Michael , Lin Derrick , Emerick Kevin , Deschler Daniel , Richmon Jeremy , Goldsmith Tessa , Zenga Joseph , Puram Sidharth V. , Varvares Mark A.
Published: April 2021

Objectives/Hypothesis

To investigate the impact of specific treatment‐related variables on functional and quality of life outcomes in oral cavity cancer (OCC) patients.

Study Design

Retrospective Cohort.

Methods

Patients with primary OCC at least 6 months after resection and adjuvant therapy were included. Patients completed surveys including the Speech Handicap Index (SHI), M.D. Anderson Dysphagia Inventory (MDADI), and Functional Assessment of Cancer Therapy‐Head and Neck (FACT‐HN). Performance Status Scale (PSS) and tongue mobility scale were completed to allow provider‐rated assessment of speech and tongue mobility, respectively. Additional details regarding treatment were also collected. These data were used to generate a predictive model using linear regression.

Results

Fifty‐three patients with oral tongue and/or floor of mouth (FOM) resection were included in our study. In multivariable analysis, greater postoperative tongue range of motion (ROM) and time since treatment improved SHI. Flap reconstruction and greater postoperative tongue ROM increased MDADI and PSS (eating and speech). A larger volume of resected tissue was inversely correlated with PSS (diet and speech). Tumor site was an important predictor of PSS (all sections). There were no statistically significant predictors of FACT‐HN.

Conclusions

In this pilot study, we propose a battery of tools to assess function in OCC patients treated with surgery. Using the battery of tools we propose, our results show that a surgical endpoint that preserves tongue mobility and employs flap reconstruction resulted in better outcomes, whereas those with greater volume of tissue resected and FOM involvement resulted in poorer outcomes. Larger prospective studies are needed to validate our findings.

Level of Evidence

3 Laryngoscope, 131:2497–2504, 2021
How smart experiences build service loyalty: The importance of consumer love for smart voice assistants
Authors: Hernandez‐Ortega Blanca , Ferreira Ivani
Published: April 2021

Smart voice assistants (SVAs) have emerged as new artificial intelligence service platforms. They have the capacity to act like actual human assistants and modify traditional forms of human–computer interactions. So, consumers relate to their SVA as though it was a person, despite knowing that they are interacting with a machine. Based on the stimulus‐organism‐response framework, this paper examines feelings of love that consumers develop for SVAs when they are interacting. It proposes that these feelings act as the psychological mechanism to transmit the effect of consumers' experiences with the technology (i.e., smart experiences) on their service loyalty. Feelings of love are conceptualized following the triangular theory of love that considers three components: passion, intimacy, and commitment. Service loyalty refers to consumers' intentions to continue using SVAs in the future and to recommend SVAs to other people through physical and/or electronic word of mouth communication. The results show that smart experiences influence consumers' passion for technology, while passion explains their intimacy and commitment. Consumer intimacy and commitment for SVAs lead to service loyalty. Therefore, this paper contributes to research focusing on the importance of consumers' feelings for SVAs and shedding light on the process that drives to service loyalty.
The bid orchestration and competitions in scoring procurement auctions
Authors: Chen Zhe
Published: April 2021

In this paper, we focus on the issue of bid orchestration in scoring procurement auctions, which is realized by a supplier, who receives preferential evaluation of the respective bid in exchange of a bribe to the auctioneer. For first‐score and second‐score auctions, with an honest (noncorrupted) and a dishonest (corrupted) supplier, we investigate the equilibrium bidding strategy and find that an asymmetry between the two bidders is created by the presence of quality manipulation. We also explore how bidding is affected compared with the symmetric case where both opponents are honest. Our main findings indicate that both bidders (honest and dishonest) find the first‐score auction more profitable compared with the second‐score auction format. Contrary to the symmetric case, the asymmetry of quality manipulation differentiates the utility of the buyer and translates to a preference of the buyer for a second‐score auction. Finally, we also provide some discussions on policy implications of our results.