bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rotamerism and tautomerism in hydrazone derivatives of ethylacetoacetate: Spectroscopic features, Hammett relationships, and computational calculations
Authors: Zamanloo Mohammad Reza , Salmanzadeh Rogayeh , Esrafili Mehdi D. , Seyednoruziyan Bahareh , Imanzadeh Gholamhassan H. , Eskandari Habibollah 
Published: January 2023

AbstractHydrazone derivatives ofβ‐dicarbonyl compounds illustrate an integrated configurational and conformational changes, which make them be considered as probe in disclosing H‐bonding importance in hydrogen transfer and switching. The ethyl‐3‐oxo‐butanoate derivatized hydrazones were synthesized by Japp–Klingemann reaction and were characterized in view of chromatographic and spectroscopic behavior employing thin layer chromatography, infrared (IR), ultraviolet‐visible (UV‐vis), and1H and13C nuclear magnetic resonance (NMR) techniques. Conformational isomerization between two possible rotamers along with their tautomeric forms was identified and investigated in detail regarding to resonance‐assisted H‐bonding (RAHB) concept by the referred spectroscopic measurements. Furthermore, substituent impacts were assessed using the acquired spectroscopic data and evaluated for structure–property correlation on the base of Hammett relationships. All of the hydrazone derivatives were found to equilibrate in acetone solution, and more of them existed in one rotameric form in solid state. The aryl substituents influence the intermolecular and intramolecular interactions differently, because the derivatives could be isolated as two distinct crystals only in a few members. Moreover, the RAHB concept was found to stabilize the conformational isomers of the hydrazone derivatives to different degrees leading to distinct equilibrium constant. Quantum chemical calculations (DFT/B3LYP) were also used to characterize the nature of the RAHB and examine the rotameric transformation process and substituent impacts on the rotamerization equilibrium.
Impact of sulfonated poly(ether ether ketone) membranes pretreatments on their physicochemical properties and fuel cell performances
Authors: Daoudi Meriem , Ferri Evelise , Tougne Claire , El Kaddouri Assma , Perrin Jean‐Christophe , Dillet Jérôme , Gonon Laurent , Mareau Vincent , Mendil‐Jakani Hakima , Dufaud Veronique , Espuche Eliane , Lottin Olivier 
Published: January 2023

AbstractThis work focuses on the impact of sulfonated poly(ether ether ketone) (sPEEK) membrane pretreatments on fuel cell performance, starting from two different batches of Fumapem E730 from Fumatech, acquired in 2019 and in 2020. sPEEK membranes are possible lower cost alternatives to perfluorosulfonic acid (PFSA) membranes for proton exchange membrane fuel cells (PEMFC) applications. Before use, they must be pretreated to ensure a complete protonic substitution and removal of residual reagents/solvent: the simplest protocol consists in soaking the membrane in an acid solution followed by a rinsing step in water. In addition to this acidification step, hydrothermal (HT) treatments in water at high temperature for a few hours to a few days were also considered herein, as well as a hydro‐alcoholic (HA) step, because of their expected effects on membrane nanostructure. Overall, four different protocols were used. The membrane water uptake, water self‐diffusion, proton conductivity, and fuel cell performance—under H2/O2—were measured. It was found that in the best case—membranes from the 2020 batch subjected to HA followed by 72 h HT pretreatments—the fuel cell performances exceeded those obtained with a PFSA membrane (Nafion XL). This is explained by a higher protonic conductivity, probably resulting from a better sPEEK nano‐structuration.
A case‐control study of the effects of Aspergillus clinical phenotypes on pulmonary functions in patients with cystic fibrosis
Authors: Nayir Buyuksahin Halime , Dogru Deniz , Emiralioglu Nagehan , Ademhan Tural Dilber , Özsezen Beste , Sunman Birce , Guzelkaş Ismail , Alboğa Didem , Arikan‐Akdagli Sevtap , Sarıbaş Zeynep , Gulmez Dolunay , Alp Alpaslan , Hazırolan Gülşen , Soyer Özge , Şekerel Bülent Enis , İnam Gözde , Irmak İlim , Damadoğlu Ebru , Kalyoncu Fuat , Yalçın Ebru , Ozcelik Ugur , Kiper Nural 
Published: January 2023

AbstractIntroductionThere are no precise data about the effect of Aspergillus infection on lung function other than allergic bronchopulmonary aspergillosis (ABPA) in patients with cystic fibrosis (pwCF). Here, we aimed to determine clinical phenotypes caused by Aspergillus spp. using laboratory and immunologic parameters and to compare Aspergillus phenotypes in terms of pulmonary function tests (PFT) prospectively.MethodsTwenty‐three pwCF who had Aspergillus isolation from respiratory cultures in the last year (case group) and 20 pwCF without Aspergillus isolation in sputum (control group) were included. Aspergillus immunoglobulin (Ig)‐G, Aspergillus IgE, Aspergillus polymerase chain reaction (PCR), galactomannan, total IgE from blood samples, and Aspergillus PCR and galactomannan from sputum, and skin prick test reactivity to Aspergillus antigen were used to distinguish different Aspergillus phenotypes. Pulmonary functions and frequency of pulmonary exacerbations were evaluated during a 1‐year follow‐up.ResultsOf 23 pwCF, 11 (47.8%) had Aspergillus colonization, nine (39.1%) had Aspergillus bronchitis, and three (13%) had ABPA. Aspergillus infection was not associated with worse z‐scores of forced expiratory volume in the first second (FEV1) (p = 0.612), forced vital capacity (p = 0.939), and the median FEV 1% decline (0.0%/year vs. −4.7%/year, p = 0.626). The frequency of pulmonary exacerbations in the Aspergillus infected and noninfected groups was similar.ConclusionAlthough Aspergillus spp. Isolation in pwCF was not associated with decreased lung function, a further decline was seen in the ABPA subgroup, and frequent pulmonary exacerbations during the 1‐year follow‐up.
A systematic review and meta‐analysis of randomized controlled trials investigating the effect of the curcumin and piperine combination on lipid profile in patients with metabolic syndrome and related disorders
Authors: Hosseini Hossein , Ghavidel Farideh , Panahi Ghodratollah , Majeed Muhammed , Sahebkar Amirhossein 
Published: January 2023

AbstractMetabolic syndrome is characterized by multiple metabolic disorders. Several studies indicated that curcumin plus piperine could affect lipids profiles in various diseases. The present meta‐analysis aims to assess the effect of curcumin plus piperine on lipid profiles in patients with MetS and associated disorders using a systematic review and meta‐analysis of randomized controlled trials. Trials were searched by several electronic databases up to May 2022. The Comprehensive Meta‐Analysis (CMA) version3 software carried out this systematic review and meta‐analysis. Random‐effects model and the inverse variance method were used to conduct the meta‐analysis. We evaluated the publication bias and heterogeneity of all eligible studies. In addition, subgroup analyses and sensitivity assessments were performed to assess potential sources of heterogeneity. The combined results by the random‐effects model demonstrated that curcumin plus piperine significantly decreased total cholesterol and LDL‐C in patients suffering from metabolic syndrome. In comparison, the results of the overall effect size did not show any significant change in triglyceride concentrations. Our results were robust in sensitivity analysis and were not dependent on the dose of curcumin, the dose of piperine, and the duration of treatment. Our results showed that co‐administration of piperine and curcumin supplementation improves the lipid profile in metabolic syndrome. However, further long‐term RCTs are required to ascertain their clinical benefit.
Integrating spatial dependence into functional clustering of NDVI in the Ecuadorian Andes
Authors: Chuquin Jeysson , Maigua Alexandra , Flores Miguel , Mateu Jorge , Torres Sandra , Zapata‐Ríos Xavier 
Published: January 2023

AbstractSpatial dependence into environmental data is an influential criterion in clustering processes, as the resulting clustering outputs depend very much upon such spatial structure. As classical methods do not take spatial dependence in consideration, the inclusion of this structure produces unexpected but more realistic results and clusters of curves that may not be similar in shape or behavior. In this paper, clustering is made using the KMSCFD algorithm for spatially correlated functional data. The methodology was developed through weighting the distance matrix between the curves with the trace‐variogram calculated with the coefficients of the basis functions resulting from a data smoothing operation. For the validation of the method, a number of simulated scenarios were tested together with an application to Normalized Difference Vegetation Index data derived from a high elevation ecosystem in the Ecuadorian Andes. Quality indices are implemented to obtain the appropriate number of clusters. The analysis showed five different regions that were latitudinally distributed.
Minimally invasive microsurgical decompression of the lumbar spine using a novel robotised digital microscope: A preliminary experience
Authors: Rossini Zefferino , Tropeano Maria Pia , Franzini Andrea , Bono Beatrice C. , Raspagliesi Luca , Fornari Maurizio , Pessina Federico 
Published: January 2023

AbstractBackgroundThe operative microscope (OM) represents, to date, the standard for neurosurgical procedures. However, new technologies have been proposed during the latest years to overcome its limitations, from high‐quality exoscopes to complex robotised visualisation systems. We report our preliminary experience with a novel digital robotised microscope, the BHS RoboticScope (RS), for minimally invasive spinal surgery.MethodsWe employed the RS in five consecutive patients who underwent bilateral lumbar spine decompression through a monolateral approach. Patient outcomes, device technical characteristics and the surgeon's personal perspectives have been evaluated.ResultsNo complications occurred. All procedures were concluded without switching to the microscope. Image quality, lightning, depth perception and freedom of movement were judged satisfactory as compared to the standard microscope.ConclusionThe easy maneuverability and the high quality of pictures provided by the RS device improve the surgeon's comfort in deep fields, representing an effective option for minimally invasive spinal procedures.
Synthesis of Acrylate‐Functionalized Polyglycerols and an Investigation of their UV Curing Behaviors
Authors: You A‐Rang , Kim Jeong‐Yeon , Ryu Sang‐Woog 
Published: January 2023

AbstractIn this study, hyperbranched polyglycerol (HPG) is synthesized via ring‐opening polymerization of a glycidol monomer. An epoxy group is introduced at the end of HPG through a reaction with epichlorohydrin in a one‐pot process. The number of epoxy groups introduced increase proportional to the amount of boron‐trifluoride‐tetrahydrofuran catalyst used. In addition, acrylate‐functionalized polyglycerol (AG) is synthesized via a reaction of the epoxy group with an acrylic acid, and a maximum of 5.7 acrylate groups are introduced per molecule. AG shows photocuring behavior with the photoinitiator Irgacure 819, while viscosity is adjusted from 18 to 2947 cPs by introducing up to 80 wt% 2‐hydroxyethyl acrylate (2‐HEA). Diluted resin can cure over 97 wt% even with a short UV irradiation period of 20 s. Furthermore, hydrophilicity increases proportional to the amount of 2‐HEA added, and water absorption can be controlled in the range of 30–124 wt%.
Hepta‐nuclear Zinc Tungstophosphate Nano‐cluster [Zn7(H2O)2(OH)2P2W25O94]16−: Synthesis, Characterization and its Catalytic Application in Alcohol Oxidation
Authors: Das Vivek , Hussain Firasat 
Published: January 2023

AbstractA new hepta‐nuclear Zinc tungstophosphate nano‐cluster of formula K14[Zn7(H2O)2(OH)2P2W25O94]Zn(H2O)4 ⋅ 35H2O (1 a) was synthesized under environment‐friendly conditions in a one‐pot reaction procedure. The isolated crystalline compound was synthesized by reacting Zn(NO3)2 ⋅ 6H2O with the potassium salt of tungstophosphate precursor, K14[P2W19O69(H2O)] ⋅ 24H2O in the presence of Ce(NO3)3 ⋅ 6H2O in a solution of potassium chloride. The synthesized compound was characterized by instrumentation techniques such as fourier transform infrared (FT‐IR) spectroscopy, single crystal X‐ray diffraction (SC‐XRD), 31P nuclear magnetic resonance (NMR) spectroscopy, thermogravimetric analysis (TGA), powder X‐ray diffraction (P‐XRD) and energy dispersive X‐ray (EDX) spectroscopy.The compound also shows a good catalytic activity for the oxidation of alcohols.
Diversity Oriented Approach to New Tetrahedral Building Blocks by Ring‐Closing Metathesis
Authors: Kotha Sambasivarao , Solanke Balaji U. 
Published: January 2023

AbstractWe disclose an approach to a library of novel multidimensional O‐heterocycles based on a rigid, tetrahedral core. New derivatives of tetraphenylmethane (TPM) have been synthesized by employing Claisen rearrangement (CR) and ring‐closing metathesis (RCM) as key steps. Mono‐, di‐, tri‐, and tetra‐substituted benzofurans, 2H‐chromenes, and benzoxepine derivatives are reported. Various heterocyclic cores present in these compounds are key structural elements present in several natural products and pharmaceuticals as well as valuable precursors for the construction of complex molecules with the tetrahedral framework. To the best of our knowledge, this is the first report involving the synthesis of five‐, six‐, and seven‐membered O‐heterocycles in TPM core and the basecatalyzed inexpensive synthesis of several isomerized intermediates that are useful to prepare oxacycles such as benzofuran and 2H‐chromenes. The symmetrical and unsymmetrical one, two, three, and four‐armed architecture of TPM makes it a valuable starting point for building complex molecular and supramolecular architectures. To expand the unmet chemical space of the TPM core, we have prepared twenty new derivatives by a unified approach. Additionally, we report a simple, catalyst‐free, and inexpensive recipe for double bond isomerization based on KOtBu to assemble various oxacycles derived from different trityl chloride derivatives.
Coping and depressive symptoms in family carers of dependent adults aged 18 and over: A systematic review and meta‐analysis
Authors: Muñoz‐Cruz Juan Carlos , López‐Martínez Catalina , Orgeta Vasiliki , Del‐Pino‐Casado Rafael 
Published: January 2023

AbstractBeing a family carer is associated with increased risk of experiencing depressive symptoms. Despite many decades of research investigating the association between coping strategies and depressive symptoms in carers results across studies remain contradictory. The objective of this study was to systematically review evidence on the association between depressive symptoms and coping strategies in carers of dependent people aged 18 and over and investigate potential sources of heterogeneity of findings. The study design was a systematic review and meta‐analysis. We searched Pubmed, CINAHL, PsycINFO and LILACS up to April 2021. We performed meta‐analyses following the Preferred Reporting Items for Systematic reviews and Meta‐Analyses statement and several subgroup analyses to investigate whether cause of caring dependency, study design, and controlling for several biases influenced results. Fifty‐nine studies met our inclusion criteria. We found a robust and statistically significant association between greater use of dysfunctional coping and higher depressive symptoms. Greater use of emotion‐focussed coping was associated with fewer depressive symptoms only in studies controlling for confounding bias. Use of problem‐focussed coping was related to fewer depressive symptoms in carers of frail older people. The combined use of both problem‐focussed and emotion‐focussed coping was associated with lower symptoms of depression. Our review concludes that the broad domain of dysfunctional coping is consistently associated with higher levels of depressive symptoms in carers. After controlling for confounders, emotion‐focussed coping and several of its individual strategies were consistently associated with fewer depressive symptoms. Whilst problem‐focussed coping and some of its individual strategies are also associated with lower depressive symptoms, these strategies may not be as helpful in all caregiving groups.
Who depends on why: Toward an endogenous, purpose‐driven mechanism in organizations' reference selection
Authors: Luger Johannes 
Published: January 2023

AbstractResearch SummaryThis paper investigates how firms select reference organizations, that is, other firms to which they compare themselves. We question the exogenous nature of references (i.e., them being defined via industry‐categorizations) but suggest that, via motivations or purposes, firms endogenously select them. We evaluate our findings when analyzing proprietary data on hotels' self‐selection of comparison‐hotels. In support of our arguments, we find that in situations of increased uncertainty regarding firms' own relative abilities and standing, firms make adjustments to their selected references toward more similar ones. This enables them to obtain more diagnostic information about their relative abilities and this effect holds constant of (exogenous) industry‐entry or exit events. Our findings contribute to an updated understanding about the role of comparison organizations in firms' decision‐making.Managerial SummaryPrior work shows that comparisons with other firms (i.e., references) play an important role for our understanding of firms' decision‐making. For example, performance comparisons with references can trigger search or a decision‐need, ultimately, leading to acquisition‐decisions, new‐product‐introductions, and the like. When questioning the selection of such references, prior work has typically derived them from (exogenous) industry‐categorizations. We review this practice by relying on rare, longitudinal data on firms' reference self‐selection. When controlling for industry level effects, we find that firms adapt references as a function of changes in their comparison needs (e.g., self‐assessment). This is important because it implies an endogenous reference selection mechanism and shifts the attention from industry‐categorizations toward an understanding of comparison needs and their emergence when attempting to understand firms' decision‐making.
Gradient Type‐II CdSe/CdSeTe/CdTe Core/Crown/Crown Heteronanoplatelets with Asymmetric Shape and Disproportional Excitonic Properties
Authors: Shabani Farzan , Martinez Pedro Ludwig Hernandez , Shermet Nina , Korkut Hilal , Sarpkaya Ibrahim , Dehghanpour Baruj Hamed , Delikanli Savas , Isik Furkan , Durmusoglu Emek Goksu , Demir Hilmi Volkan 
Published: January 2023

AbstractCharacterized by their strong 1D confinement and long‐lifetime red‐shifted emission spectra, colloidal nanoplatelets (NPLs) with type‐II electronic structure provide an exciting ground to design complex heterostructures with remarkable properties. This work demonstrates the synthesis and optical characterization of CdSe/CdSeTe/CdTe core/crown/crown NPLs having a step‐wise gradient electronic structure and disproportional wavefunction distribution, in which the excitonic properties of the electron and hole can be finely tuned through adjusting the geometry of the intermediate crown. The first crown with staggered configuration gives rise to a series of direct and indirect transition channels that activation/deactivation of each channel is possible through wavefunction engineering. Moreover, these NPLs allow for switching between active channels with temperature, where lattice contraction directly affects the electron–hole (e–h) overlap. Dominated by the indirect transition channels over direct transitions, the lifetime of the NPLs starts to increase at 9 K, indicative of low dark‐bright exciton splitting energy. The charge transfer states from the two type‐II interfaces promote a large number of indirect transitions, which effectively increase the absorption of low‐energy photons critical for nonlinear properties. As a result, these NPLs demonstrate exceptionally high two‐photon absorption cross‐sections with the highest value of 12.9 × 106 GM and superlinear behavior.
Evolution of Carbonate‐Intercalated γ‐NiOOH from a Molecularly Derived Nickel Sulfide (Pre)Catalyst for Efficient Water and Selective Organic Oxidation
Authors: Ghosh Suptish , Dasgupta Basundhara , Kalra Shweta , Ashton Marten L. P. , Yang Ruotao , Kueppers Christopher J. , Gok Sena , Alonso Eduardo Garcia , Schmidt Johannes , Laun Konstantin , Zebger Ingo , Walter Carsten , Driess Matthias , Menezes Prashanth W. 
Published: January 2023

AbstractThe development of a competent (pre)catalyst for the oxygen evolution reaction (OER) to produce green hydrogen is critical for a carbon‐neutral economy. In this aspect, the low‐temperature, single‐source precursor (SSP) method allows the formation of highly efficient OER electrocatalysts, with better control over their structural and electronic properties. Herein, a transition metal (TM) based chalcogenide material, nickel sulfide (NiS), is prepared from a novel molecular complex [NiII(PyHS)4][OTf]2 (1) and utilized as a (pre)catalyst for OER. The NiS (pre)catalyst requires an overpotential of only 255 mV to reach the benchmark current density of 10 mA cm−2 and shows 63 h of chronopotentiometry (CP) stability along with over 95% Faradaic efficiency in 1 m KOH. Several ex situ measurements and quasi in situ Raman spectroscopy uncover that NiS irreversibly transformed to a carbonate‐intercalated γ−NiOOH phase under the alkaline OER conditions, which serves as the actual active structure for the OER. Additionally, this in situ formed active phase successfully catalyzes the selective oxidation of alcohol, aldehyde, and amine‐based organic substrates to value‐added chemicals, with high efficiencies.
Activity Regulating Strategies of Nanozymes for Biomedical Applications
Authors: Ding Xiaoteng , Zhao Zhen , Zhang Yanfang , Duan Meilin , Liu Chengzhen , Xu Yuanhong 
Published: January 2023

AbstractOn accounts of the advantages of inherent high stability, ease of preparation and superior catalytic activities, nanozymes have attracted tremendous potential in diverse biomedical applications as alternatives to natural enzymes. Optimizing the activity of nanozymes is significant for widening and boosting the applications into practical level. As the research of the catalytic activity regulation strategies of nanozymes is boosting, it is essential to timely review, summarize, and analyze the advances in structure–activity relationships for further inspiring ingenious research into this prosperous area. Herein, the activity regulation methods of nanozymes in the recent 5 years are systematically summarized, including size and morphology, doping, vacancy, surface modification, and hybridization, followed by a discussion of the latest biomedical applications consisting of biosensing, antibacterial, and tumor therapy. Finally, the challenges and opportunities in this rapidly developing field is presented for inspiring more and more research into this infant yet promising area.