bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractPorous 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.
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

AbstractRegulating 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

AbstractScheduling 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

SummaryThe 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

AbstractAimsHeart 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 resultsAnalysable 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.ConclusionsHeart 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

AbstractA 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

AbstractElectrochemical 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

AbstractAbstract: 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

AbstractA 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

AbstractThe 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

AbstractThe 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

AbstractIt 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

AbstractNon‐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

AbstractBackground: 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

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

AbstractDespite 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.