bluuebunny/crossref_metadata_2025_split huggingface dataset:
Competências requeridas em equipes de projetos ágeis: um estudo de caso em uma Edtech
Authors: Gonçalves Laila Cristina Couto , Oliveira Silvia Alves Assumpção de , Pacheco Jéssica De Carvalho Amaral , Salume Paula Karina 
Published: December 2020

Diferentes métodos de gerenciamento de projetos - abordagem tradicional e ágil - exigem características distintas da equipe, especialmente num contexto intensivo de tecnologia que requer alto desempenho. Neste sentido, o presente artigo busca identificar quais competências têm sido demandadas aos profissionais que atuam em projetos, no âmbito de abordagens ágeis, a fim de orientar gestores de projetos a formar equipes de alta performance, capazes de entregar valor, maior produtividade e lucratividade para as organizações. Para isso, foi realizado um estudo de caso em uma edtech, empresa startup educacional, através de entrevistas semiestruturadas, presenciais e virtuais, com colaboradores da empresa que compõem dois squads distintos. As entrevistas permitiram conhecer o perfil e as competências de cada profissional entrevistado, além de sua visão em relação ao ambiente de trabalho circunscrito em processos ágeis de gerenciamento de projetos e necessidade de equipes de alta performance. A pesquisa revelou que as principais competências valorizadas no time são: conhecimento técnico e da abordagem de projetos, comunicação, saber trabalhar em equipe, capacidade de execução, flexibilidade, liderança, colaboração e proatividade. Conclui-se que o time está no caminho de ser uma equipe de alta performance, porém ainda é necessário que os membros incorporem mais as práticas ágeis entendendo o real valor que as mesmas geram para os clientes, por meio do desenvolvimento dos seus produtos.
The Possibility of Obtaining Buckwheat Beverages Fermented with Lactic Acid Bacteria and Bifidobacteria
Authors: Kowalska Ewa , Ziarno Małgorzata 
Published: December 2020

In this study, we aimed to examine the effect of four different industrial starter cultures containing lactic acid bacteria and bifidobacteria on the selected characteristics of beverages prepared from buckwheat and stored at 4°C for 28 days. We estimated the pH of the beverages during fermentation and storage under refrigerated conditions. We also determined the number of lactic acid bacteria and bifidobacteria and performed a chromatographic analysis of the carbohydrates. According to the results, the tested starter cultures effectively fermented the buckwheat beverage. The viable cell count of the starter microflora was sufficient to demonstrate the health-promoting properties of buckwheat. The pH of beverages was stable during the refrigerated storage. However, the carbohydrate content of the stored beverages changed, which indicates a constant biochemical activity of the microflora.
Prevalence and Factors Associated With Osteoporosis and Bone Mineral Density Testing in Psoriatic Arthritis
Authors: Kwok Timothy S. H. , Sutton Mitchell , Ye Justine Yang , Pereira Daniel , Chandran Vinod , Gladman Dafna D. 
Published: December 2020

ObjectiveTo determine bone mineral density (BMD) in psoriatic arthritis (PsA) patients, factors associated with undergoing BMD testing, and the effect of PsA clinical activity on BMD.MethodsPatients attending the University of Toronto PsA Clinic with BMD testing results from cohort inception to January 2019 were included. Descriptive statistics summarized lumbar spine, femoral neck, and total hip T scores. Cox proportional hazards regression identified predictors for BMD testing. Logistic regression analysis determined odds of having normal (T score −1.0 or more) versus osteoporotic‐range BMD (T score −2.5 or less). A multistate model determined factors associated with BMD state changes over time.ResultsOf the 1,479 patients, 214 had BMD tests performed. The mean ± SD T scores at the lumbar spine, femoral neck, and total hip were −0.30 ± 0.32, −1.10 ± 1.04, and −0.45 ± 0.42, respectively. Osteopenia and osteoporosis occurred in 45.27% and 12.94% of patients. Increasing age, menopause, elevated acute‐phase reactants, and biologics, methotrexate, and systemic glucocorticoids use were associated with a higher chance of undergoing BMD testing. Increased body mass index (BMI) and biologics use were associated with a lower chance of having osteoporotic‐range BMD test results. In multistate analysis, polyarthritis may portend lower BMD results over time, although this did not achieve statistical significance due to low patient numbers.ConclusionThe prevalence of osteopenia and osteoporosis in the PsA cohort was similar to that of the general population. Clinicians are using osteoporosis risk factors and PsA disease severity markers to select patients for BMD testing. Polyarticular disease may portend worse BMD test results. Biologic use and increased BMI appear to have a protective effect.
On the trail of blood doping—microRNA fingerprints to monitor autologous blood transfusions in vivo
Authors: Mussack Veronika , Wittmann Georg , Pfaffl Michael W. 
Published: December 2020

AbstractAutologous blood doping refers to the illegal re‐transfusion of any quantities of blood or blood components with blood donor and recipient being the same person. The re‐transfusion of stored erythrocyte concentrates is particularly attractive to high‐performance athletes as this practice improves their oxygen capacity excessively. However, there is still no reliable detection method available. Analyzing circulating microRNA profiles of human subjects that underwent monitored autologous blood transfusions seems to be a highly promising approach to develop novel biomarkers for autologous blood doping. In this exploratory study, we randomly divided 30 healthy males into two different treatment groups and one control group and sampled whole blood at several time points at baseline, after whole blood donation and after transfusion of erythrocyte concentrates. Hematological variables were recorded and analyzed following the adaptive model of the Athlete Biological Passport. microRNA profiles were examined by small RNA sequencing and comprehensive multivariate data analyses, revealing microRNA fingerprints that reflect the sampling time point and transfusion volume. Neither individual microRNAs nor a signature of transfusion‐dependent microRNAs reached superior sensitivity at 100% specificity compared to the Athlete Biological Passport (≤11% 6 h after transfusion versus ≤44% 2 days after transfusion). However, the window of autologous blood doping detection was different. Due to the heterogenous nature of doping, with athletes frequently combining multiple medications in order to both gain a competitive advantage and interfere with known testing methods, the true applicability of the molecular signature remains to be validated in real anti‐doping testings.
The Development of a Fluorescence‐Based Competitive Assay Enabled the Discovery of Dimeric Cyclic Peptide Modulators of Ubiquitin Chains
Authors: Vamisetti Ganga B. , Meledin Roman , Nawatha Mickal , Suga Hiroaki , Brik Ashraf 
Published: December 2020

AbstractDevelopment of modulators targeting specific interactions of ubiquitin‐based conjugates with their partners is a formidable task since it requires a suitable screening assay and homogeneous ubiquitin conjugates. We developed a novel high‐throughput strategy for screening ligands for Lys48‐linked tetraubiquitin chain in a relatively simple, fast, and affordable manner. This approach combined with a state‐of‐the‐art toolbox of chemical protein synthesis and a specially optimized Cys deprotection protocol enabled us to design highly potent, Lys48‐linked tetraubiquitin chain selective “next generation” dimeric peptide modulators. The dimeric peptide exhibited cancer cell permeability and induced cell death with higher efficiency compared to its monocyclic analogue. These features make our dimeric peptide a promising candidate for further studies using in vivo models. Our assay can be adopted for other various ubiquitin chains in their free or anchored forms as well as conjugates for Ub‐like modifiers.
Growth of Colloidal Nanocrystals by Liquid‐Like Coalescence**
Authors: Yuan Bin , Cademartiri Ludovico 
Published: December 2020

AbstractWe here describe, model, and predict the growth kinetics of amine‐capped PbS colloidal nanoparticles in the absence of supersaturation. The particles grow by coalescence rather than by Ostwald ripening. A comparison of different models indicates that the effective activation energy of coalescence (67.65 kJ mol−1) is associated with two terms: a term proportional to the contact area between the ligand shells of two colliding particles, and a constant term. Our Brownian dynamics simulations show (i) how the remarkably low activation energy (or large rate constants) are most likely due to the large difference in size between the particles and their mean free path of diffusion, and (ii) how the low polydispersity is the likely result of the suppression of collision rates between rare populations due to crowding. The model successfully predicts the growth kinetics of nanoparticles, therefore enabling the precise control of the average particle size without the need of supersaturation.
Structurally Modelling the 2‐His‐1‐Carboxylate Facial Triad with a Bulky N,N,O Phenolate Ligand
Authors: Monkcom Emily C. , de Bruin Daniël , de Vries Annemiek J. , Lutz Martin , Ye Shengfa , Klein Gebbink Robertus J. M. 
Published: December 2020

AbstractWe present the synthesis and coordination chemistry of a bulky, tripodal N,N,O ligand, ImPh2NNOtBu (L), designed to model the 2‐His‐1‐carboxylate facial triad (2H1C) by means of two imidazole groups and an anionic 2,4‐di‐tert‐butyl‐subtituted phenolate. Reacting K‐L with MCl2 (M = Fe, Zn) affords the isostructural, tetrahedral non‐heme complexes [Fe(L)(Cl)] (1) and [Zn(L)(Cl)] (2) in high yield. The tridentate N,N,O ligand coordination observed in their X‐ray crystal structures remains intact and well‐defined in MeCN and CH2Cl2 solution. Reacting 2 with NaSPh affords a tetrahedral zinc thiolate complex, [Zn(L)(SPh)] (4), that is relevant to isopenicillin N synthase (IPNS) biomimicry. Cyclic voltammetry studies demonstrate the ligand's redox non‐innocence, where phenolate oxidation is the first electrochemical response observed in K‐L, 2 and 4. However, the first electrochemical oxidation in 1 is iron‐centred, the assignment of which is supported by DFT calculations. Overall, ImPh2NNOtBu provides access to well‐defined mononuclear, monoligated, N,N,O‐bound metal complexes, enabling more accurate structural modelling of the 2H1C to be achieved.
Synthesis, Characterization of Spirocyclic λ3‐Iodanes and Their Application to Prepare 4,1‐Benzoxazepine‐2,5‐diones and 1,3‐Diynes
Authors: Sun Xu , Guo Xiao‐Qiang , Chen Lian‐Mei , Kang Tai‐Ran 
Published: December 2020

AbstractHerein, a [3+2] cycloaddition of aza‐oxyallylic cations with ethynylbenziodoxolones for synthesis of new λ3‐iodanes containing spirocyclic 4‐oxazolidinone has been developed. This cyclic λ3‐iodanes display stability in air and excellent solubility in organic solvent. Using them as substrate, both the 4,1‐benzoxazepine‐2,5‐diones and symmetrical 1,3‐diynes derivatives were afforded in high yield under copper(I)‐catalyzed conditions.
Cationic Bismuth Aminotroponiminates: Charge Controls Redox Properties
Authors: Hanft Anna , Radacki Krzysztof , Lichtenberg Crispin 
Published: December 2020

AbstractThe behavior of the redox‐active aminotroponiminate (ATI) ligand in the coordination sphere of bismuth has been investigated in neutral and cationic compounds, [Bi(ATI)3] and [Bi(ATI)2Ln][A] (L=neutral ligand; n=0, 1; A=counteranion). Their coordination chemistry in solution and in the solid state has been analyzed through (variable‐temperature) NMR spectroscopy, line‐shape analysis, and single‐crystal X‐ray diffraction analyses, and their Lewis acidity has been evaluated by using the Gutmann–Beckett method (and modifications thereof). Cyclic voltammetry, in combination with DFT calculations, indicates that switching between ligand‐ and metal‐centered redox events is possible by altering the charge of the compounds from 0 in neutral species to +1 in cationic compounds. This adds important facets to the rich redox chemistry of ATIs and to the redox chemistry of bismuth compounds, which is, so far, largely unexplored.
Versatile Coordination Behavior of the Asymmetric Bis(3‐mesityl‐pyrazol‐1‐yl)(5‐mesitylpyrazol‐1‐yl) Hydroborate Ligand towards Late 3 d M2+ Ions
Authors: Müller Lars , Nadurata Vincent L. , Cula Beatrice , Hoof Santina , Herwig Christian , Limberg Christian 
Published: December 2020

AbstractBearing in mind the potential which tris(pyrazolyl) hydroborate ligands have demonstrated in various different fields of coordination chemistry, the behavior of a more rarely employed representative, namely bis(3‐mesitylpyrazol‐1‐yl)(5‐mesitylpyrazol‐1‐yl) hydroborate (TpMes,H*), towards a series of divalent metal ions has been investigated. Thus, the synthesis of two new heteroleptic metal chlorido [TpMes,H*MCl] complexes, 2, (Mn2+, 2‐a, and Cu2+, 2‐e) are described, which correspond to the typical precursor compounds that would be needed for subsequent research. Structural and spectroscopic properties of the two new and four published members of this series (M=Fe2+, 2‐b, Co2+, 2‐c, Ni2+, 2‐d, Zn2+, 2‐f) are discussed in detail for the solid and solution states. Furthermore, synthetic routes to five homoleptic [(TpMes,H*)2M] complexes, 3, bearing Mn2+, 3‐a, Fe2+, 3‐b, Co2+, 3‐c, Ni2+, 3‐d, and Cu2+, 3‐e, ions as well as an alternative preparation method for [(κ2‐TpMes,H*)2Zn], 3‐f, are described. Their structures and spectroscopic parameters are compared to those of their heteroleptic counterparts. Additionally, the complex [(TpH,Mes*)2Cu], 4, is reported, representing the second example of a complex with the (3‐mesitylpyrazol‐1‐yl)bis(5‐mesitylpyrazol‐1‐yl) hydroborate ligand (TpH,Mes*).
Multibranched Calix[4]arene‐Based Sensitizers for Efficient Photocatalytic Hydrogen Production
Authors: Manfredi Norberto , Decavoli Cristina , Boldrini Chiara Liliana , Dolla Tarekegn Heliso , Faroldi Federica , Sansone Francesco , Montini Tiziano , Baldini Laura , Fornasiero Paolo , Abbotto Alessandro 
Published: December 2020

AbstractIn the field of direct production of hydrogen from solar energy and water, photocatalytic methods hold great potential especially when metal‐free molecular components are preferred. In this work, we have developed a new class of calix[4]arene‐based molecular photosensitizers to be used as antenna systems in the photocatalytic production of hydrogen. The structure of the dyes has a typical donor‐π‐acceptor molecular architecture where a calix[4]arene scaffold is used as an embedded donor. The new materials have been fully characterized in their optical, electrochemical, and photocatalytic properties. The properties conferred by the calix[4]arene donor afforded twice larger performances compared to the corresponding linear system though showing similar quantitative optical properties. The new molecular design paves the way to a new strategy for photocatalytic hydrogen production where the calix[4]arene scaffold can afford more efficient systems and can offer the potential for host‐guest supramolecular effects.
Click‐Connected 2‐(Hydroxyimino)aldehydes for the Design of UV‐Responsive Functional Molecules
Authors: D'Acunzo Francesca , Carbonaro Linda , Cort Antonella Dalla , Di Sabato Antonio , Filippini Dario , Leonelli Francesca , Mancini Laura , Gentili Patrizia 
Published: December 2020

AbstractClick chemistry is used to functionalize simple lipophilic and water‐soluble molecules, a complex PEGylated phospholipid (DSPE‐PEG2000), and two benzylic substrates with the 2‐(hydroxyimino)aldehyde (HIA) group. To this end, two terminal alkynes bearing the HIA moiety were synthesized and coupled to different azides through copper(I)‐catalyzed azide alkyne cycloaddition (CuAAC). Norrish–Yang photoisomerization (λ= 365 nm, LED source) is successfully obtained, with no interference by the triazole linker, except when the forbidden n‐π* carbonyl transition is screened by a remote substituent such as salicylaldehyde. UV‐Vis spectrometry suggests a specific interaction of HIAs with Cu(II), whereas no such evidence is found with Cu(I). We thereby show that the CuAAC methodology can be used successfully to obtain HIA‐based UV‐responsive hydrophilic or lipophilic ligands, phospholipidic components for the construction of liposomes, and macrocycle precursors.
N1‐ and N3‐Arylations of Hydantoins Employing Diaryliodonium Salts via Copper(I) Catalysis at Room Temperature
Authors: Abha Saikia Raktim , Barman Dhiraj , Dutta Anurag , Jyoti Thakur Ashim 
Published: December 2020

AbstractCopper(I)‐catalyzed N‐arylation (both N1‐ and N3‐) of hydantoins with diaryliodonium salts as aryl partners at room temperature is reported. The transformation allows diverse scopes on both hydantoins and diaryliodonium salts delivering functionalized N3‐arylated products under mild reaction conditions. The presence of hydrogens at C5‐ and N1‐ position of the hydantoin does not lead to other side products. Chiral hydantoins can also be synthesized via this methodology. Sterically complicated ortho‐substituted diaryliodonium salts are tolerated and delivered challenging ortho‐arylated products. In addition, this strategy can also be effectively extended to N1‐arylation of hydantoins.
I2‐Promoted Direct C−H Sulfenylation of Isoquinolin‐1(2H)‐ones with Sulfonyl Chlorides
Authors: Yang Cai‐Yun , Li Xia , Liu Bo , Huang Guo‐Li 
Published: December 2020

AbstractA simple, efficient, and green method for the iodine‐promoted regioselective C‐4 sulfenylation of isoquinolin‐1(2H)‐ones using commercially available aryl sulfonyl chlorides as the sulfur source was described under metal‐ and solvent‐free conditions. The reaction proceeded smoothly under simple conditions to obtain 4‐arylthioisoquinolin‐1(2H)‐ones in moderate to good yields, and showed high regioselectivity, broad substrate scope, and good functional group tolerance. A radical reaction mechanism involving ArS. radicals as key intermediates is proposed for the present transformation.
Role of Lipophilicity in the Activity of Hexameric Cyclic Peptoid Ion Carriers
Authors: Schettini Rosaria , Tosolini Massimo , ur Rehman Jawad , Shah Muhammed Raza , Pierri Giovanni , Tedesco Consiglia , Della Sala Giorgio , De Riccardis Francesco , Tecilla Paolo , Izzo Irene 
Published: December 2020

AbstractTwo families of hexameric cyclic peptoids decorated with linear N‐alkyl and alternated N‐alkyl/N‐benzyl side chains (2 a–d and 3 a–c, respectively) were designed and synthesized in order to correlate their logP values (from 2.55 to 6.83) to their ionophoric activities. The present contribution confirms the general ability of hexameric cyclic peptoids to behave as efficient cation carriers, corroborates their preference for Na+ ion, among the tested alkali metals, and suggests a Na+/H+ antiport transport mechanism (rate limited by the transport of the proton) for these new ionophores. Our observations indicate that in order to attain an efficient ionophoric activity, a narrow range of liphophilicity is required (4<logP<5). Moreover, to gain information on the solid state stucture of ionophoric cyclic peptoids with linear N‐side chains, X‐ray crystallographic studies were performed on exemplar compound 2 a. Crystal structure of compound 2 a confirms the tendency of ionophoric cyclopeptoids with linear N‐side chains to form layered assemblies.
Rigid Multidimensional Alkoxyamines: A Versatile Building Block Library
Authors: Matt Yannick , Wessely Isabelle , Gramespacher Lisa , Tsotsalas Manuel , Bräse Stefan 
Published: December 2020

AbstractSince the discovery of the “living” free‐radical polymerization, alkoxyamines were widely used in nitroxide‐mediated polymerization (NMP). Most of the known alkoxyamines bear just one functionality with only a few exceptions bearing two or more alkoxyamine units. Herein, we present a library of novel multidimensional alkoxyamines based on commercially available, rigid, aromatic core structures. A versatile approach allows the introduction of different sidechains which have an impact on the steric hindrance and dissociation behavior of the alkoxyamines. The reaction to the alkoxyamines was optimized by implementing a mild and reliable procedure to give all target compounds in high yields. Utilization of biphenyl, p‐terphenyl, 1,3,5‐triphenylbenzene, tetraphenylethylene, and tetraphenyl‐methane results in linear, trigonal, square planar, and tetrahedral shaped alkoxyamines. These building blocks are useful initiators for multifold NMP leading to star‐shaped polymers or as a linker for the nitroxide exchange reaction (NER), to obtain dynamic frameworks with a tunable crosslinking degree and self‐healing abilities.
Photochemical Reaction of N,N‐Dimethylanilines with N‐Substituted Maleimides Utilizing Benzaldehyde as the Photoinitiator
Authors: Nikitas Nikolaos F. , Theodoropoulou Maria A. , Kokotos Christoforos G. 
Published: December 2020

AbstractPhotoorganocatalysis constitutes a powerful domain of photochemistry and organic synthesis. The scaffold of pyrrolo[3,4‐c]quinolinoles exhibits interesting and potent inhibition against various enzymes, making them really promising pharmaceutical targets. Herein, we describe a photochemical methodology for the reaction of N,N‐dimethylanilines with N‐substituted maleimides, utilizing benzaldehyde as the photoinitiator. A variety of substituted N,N‐dimethylanilines and N‐substituted maleimides were converted into the corresponding adducts in moderate to high yields.
First‐ and second‐trimester uterine artery pulsatility index as a combination factor in predictive diagnosis of pregnancy‐induced hypertension
Authors: Dash Sonali S. , Jena Pramila , Khuntia Swetaparna , Pathak Mona , Rath Sudhanshu K. 
Published: December 2020

AbstractObjectiveHypertensive disorder of pregnancy is a major cause of fetal and maternal morbidity and mortality. The current approach for pregnancy‐induced hypertension (PIH) screening is complex and expensive. The present prospective cohort study assesses the advantage of combining first‐ and second‐trimester uterine artery pulsatility index (UAPI) for predictive diagnosis of PIH.MethodsA total of 151 prenatal cases in their first trimester were studied and followed up till delivery. The mean UAPI was calculated for the first and second trimesters during the nuchal translucency and anomaly scans. Receiver operating characteristic analysis was used to calculate the cut‐off of UAPI for first‐trimester, second‐trimester, and both trimesters combined.ResultsTwenty‐seven (17.9%) pregnant women developed PIH. Mean ± SD UAPI values for first and second trimesters were 1.92 ± 0.60 and 1.23 ± 0.36, respectively. The cut‐offs for abnormal UAPI were ≥2.51, ≥1.32, and ≥1.91 for first trimester, second trimester, and both trimesters combined, respectively. The sensitivity and specificity of UAPI in predictive diagnosis of PIH were 82% and 95% for first trimester, 93% and 85% for the second trimester, and 93% and 98% for both trimesters combined.ConclusionCombining UAPI of first and second trimesters improves the predictive diagnosis of PIH, which can be carried out during the nuchal translucency and anomaly scans without imparting extra cost to the patient.