bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sustainable synthesis of hierarchically grown chloramphenicol‐imprinted poly(caffeic acid) nanostructured films
Authors: Suriyanarayanan Subramanian , Kandregula Ganapathi Rao , Ramanujam Kothandaraman , Nicholls Ian A. 
Published: January 2023

AbstractHierarchically nanostructured chloramphenicol (CLP) imprinted thin polymer films have been developed using a renewable monomer, the antioxidant caffeic acid (CA), using sacrificial nanostructures to induce porosity into the films. The poly(caffeic acid) (PCA) films were synthesized on Au/quartz resonators via greener polymerization conditions (clean energy electropolymerization in aqueous buffer or a non‐ionic deep eutectic solvent). The sacrificial nanostructures explored included zein‐based protein nanobeads, anodized alumina membrane, and Tween 20‐derived polysorbate micelles, where dissolution of the sacrificial nanostructure templates from the PCA films afforded uniform long‐range hyperporous networks, nanowires and nanoparticles, respectively, as revealed by SEM studies. Selective extraction of the CLP template from PCA films, was monitored by XPS, and afforded CLP selective cavities. The CLP‐imprinted PCAzein films demonstrated eight‐ to 25‐fold higher sensitivity than the other nanostructures in a QCM‐sensor format, the limit of detection (LOD) under optimized FIA conditions was 50 mM. Significant sensitivities for CLP in milk were observed (1.5 μg/ml to 3 mg/ml), covering the clinically relevant concentration range. The PCAzein thin films selectively differentiate CLP from structurally related antibiotics and are robust. Their production from renewable feedstocks of biological origin highlights the potential of this class of nanostructured materials for applications utilizing thin films.
Robust anisotropic polyvinyl alcohol/glass fiber composites fabricated via hydrogen bonding interactions and freezing–thawing under stretching
Authors: Zuo Xiaoshuang , Ye Shan , Ejeromedoghene Onome , Wang Bin , Cui Bingbing , Fu Guodong 
Published: January 2023

AbstractFabrication of composites with hierarchically anisotropic structure and excellent mechanical properties is still challenging. Inspired by biological tissues with excellent anisotropic microstructure, in this study, a simple method for preparing robust anisotropic polyvinyl alcohol/glass fiber (PVA/GFs) composites with superior mechanical properties was proposed, which based on hydrogen bonding interactions and freeze–thaw method under tensile conditions. Surface‐initiated atom transfer radical polymerization (SI‐ATRP) was applied for grafting polymers onto the glass fiber. The glass fibers grafted with polymers (GFs) were introduced into PVA. After that, the freeze–thaw method under tensile conditions was adopted to control the formation of hierarchically anisotropic structure, which composed of anisotropic polymer network and orderly aligned glass fibers. The results also showed that the strength and toughness of the composites were significantly improved, due to the interfacial hydrogen bonding interactions between PVA and GFs. Therefore, this study could provide a meaningful idea for preparing anisotropic biomaterials with prominent properties for artificial tissues.
Identification of microplastic pathways within a typical European urban wastewater system
Authors: Altmann Korinna , Goedecke Caroline , Bannick Claus‐Gerhard , Abusafia Attaallah , Scheid Christian , Steinmetz Heidrun , Paul Andrea , Beleites Claudia , Braun Ulrike 
Published: January 2023

AbstractIn recent years, thermoextraction/desorption‐gas chromatography/mass spectrometry (TED‐GC/MS) has been developed as a rapid detection method for the determination of microplastics (MP) mass contents in numerous environmentally relevant matrices and, in particular, for the measurement of polymers in water samples without time‐consuming sample preparation. The TED‐GC/MS method was applied to investigate a typical European municipal wastewater system for possible MP masses. Such investigations are important in view of the recent revision of the Urban Wastewater Treatment Directive. Four different representative sampling sites were selected: greywater (domestic wastewater without toilet), combined sewer, and influent and effluent of a wastewater treatment plant (WWTP). All samples were collected by fractional filtration. Filtration was carried out over mesh sizes of 500, 100, 50, and in some cases, 5 µm. Polyethylene (PE), polypropylene (PP), and polystyrene (PS) were detected in all samples, with the PE fraction dominating in all cases. Styrene‐butadiene rubber which serves as an indication of tire abrasion, was only found in the influent of the WWTP. The highest MP mass contents were found in the combined sewer, so MP can become a source of pollution during heavy rain events when the capacity limits of the effluent are reached, and the polluted effluent is released uncontrolled into the environment. Based on the studies, MP retention from the WWTP could be estimated to be approximately 96%. Few trends in polymer type or mass contents were detected within the different fractions of the samples or when comparing samples to each other.
The ecosystem services concept in freshwater conservation and restoration
Authors: Dai Yanran , Wu Juan , Yang Qiang , Cheng Shuiping , Liang Wei , Hein Thomas 
Published: January 2023

Abstract

Intense efforts have focused on ecosystem conservation and restoration (ECR) over the past decades, promoting considerable advances in science and practice in this field. However, the applications of the ecosystem services (ESs) concept are rarely considered in the literature when assessing the success and targets of ECR.
The ECR literature was systematically reviewed to analyse the relevance of the ES concept in ECR research published from 2007 to 2019 and to assess how the ES concept is integrated into freshwater ECR.
In general, the number of publications focusing on ECR and ESs shows a temporal increase (from 12 to 101 publications, 685 in total). The proportion of publications considering ESs as freshwater ECR targets increased from 33 to 70% until 2019, while the proportion of publications that prioritized ecosystem processes and functions as the target declined from 33 to 16%. Despite the clear upward trend, most studies have focused only on the conceptual framework. In addition, the idea of using market‐based approaches for ESs has spread quickly, but it has still not been broadly accepted.
The number of academic researchers who have contributed to this research field varies substantially across different countries. A country's economic conditions and the extent of freshwater withdrawal can affect efforts devoted to studies on freshwater ECR and ESs. Some ecosystems, such as rivers and wetlands, have attracted much more attention than others. Although most studies have discussed ESs in general, the provisioning and regulation of ESs are mainly considered in studies that differentiate specific ES categories.
Current limitations in applying the ES concept in ECR across different studies suggest that further collaboration is needed among ecologists, practitioners, stakeholders and policy‐makers to develop a broad mix of approaches for the best and widest use of the ES concept in protecting and enhancing freshwater ecosystems.
D0 meson production in high‐energy pp collisions based on dipole transverse momentum approach
Authors: dos Santos Gláuber S. , da Silveira Gustavo Gil , Machado Magno V. T. 
Published: January 2023

AbstractBy employing the color dipole approach in the momentum representation taking into account the nonlinear behavior of the QCD dynamics, we make predictions for the D‐meson differential cross‐section in terms of the transverse momentum and rapidity distributions considering pp collisions at the LHC. Moreover, a comparison between our results and the corresponding experimental measurements provided by the ALICE and LHCb experiments in different rapidity bins is performed.
A prognostic nomogram based on risk assessment for invasive micropapillary carcinoma of the breast after surgery
Authors: Chen Yuyuan , Yu Caixian , Chen Dedian , Tang Yiyin , Zhu Keying , Guo Rong , Huang Sheng , Li Zheng , Cen Lvjun 
Published: January 2023

AbstractPurposeInvasive micropapillary carcinoma (IMPC) is one of the rare subtypes of breast cancer. This study aimed to explore a predictive nomogram model for IMPC prognosis.MethodsA total of 1855 IMPC patients diagnosed after surgery between 2004 and 2014 were identified from the Surveillance, Epidemiology and End Results (SEER) database to build and validate nomogram. A nomogram was created based on univariate and multivariate Cox proportional hazards regression analysis. Receiver operating characteristic (ROC) curves were used to demonstrate the accuracy of the prognostic model. Decision curve analysis (DCA) was performed to evaluate the safety of the model in the range of clinical applications, while calibration curves were used to validate the prediction consistency.ResultsCox regression analysis indicated that age ≥62 at diagnosis, negative ER status, and tumor stage were considered adverse independent factors for overall survival (OS), while patients who were married, white or of other races, received chemotherapy or radiotherapy, had a better postoperative prognosis. The nomogram accurately predicted OS with high internal and external validation consistency index (C index) (0.756 and 0.742, respectively). The areas under the ROC curve (AUCs) of the training group were 0.787, 0.774 and 0.764 for 3, 5 and 10 years, respectively, while those of the validation group were 0.756, 0.766 and 0.762, respectively. The results of both DCA and calibration curves demonstrated the good performance of the model.ConclusionsA nomogram for IMPC of the breast patients after surgery was developed to estimate 3, 5 and 10 years—OS based on independent risk factors. This model has good accuracy and consistency in predicting prognosis and has clinical application value.
Integration of LC/MS, NMR and Molecular Docking for Profiling of Bioactive Diterpenes from Euphorbia mauritanica L. with in Vitro Anti‐SARS‐CoV‐2 Activity
Authors: Essa Ahmed F. , El‐Hawary Seham S. , Kubacy Tahia M. , El‐Din A. M. El‐Khrisy Ezz , El‐Desoky Ahmed H. , Elshamy Abdelsamed I. , Younis Inas Y. 
Published: January 2023

AbstractIn spite of tremendous efforts exerted in the management of COVID‐19, the absence of specific treatments and the prevalence of delayed and long‐term complications termed post‐COVID syndrome still urged all concerned researchers to develop a potent inhibitor of SARS‐Cov‐2. The hydromethanolic extracts of different parts of E. mauritanica were in vitro screened for anti‐SARS‐Cov‐2 activity. Then, using an integrated strategy of LC/MS/MS, molecular networking and NMR, the chemical profile of the active extract was determined. To determine the optimum target for these compounds, docking experiments of the active extract's identified compounds were conducted at several viral targets. The leaves extract showed the best inhibitory effect with IC50 8.231±0.04 μg/ml. The jatrophane diterpenes were provisionally annotated as the primary metabolites of the bioactive leaves extract based on multiplex of LC/MS/MS, molecular network, and NMR. In silico studies revealed the potentiality of the compounds in the most active extract to 3CLpro, where compound 20 showed the best binding affinity. Further attention should be paid to the isolation of various jatrophane diterpenes from Euphorbia and evaluating their effects on SARS‐Cov‐2 and its molecular targets.
Deciphering Electronic and Structural Effects in Copper Corrole/Graphene Hybrids**
Authors: Wrighton‐Araneda Kerry , Cortés‐Arriagada Diego , Dreyse Paulina , Pascal Simon , Canard Gabriel , Sanhueza Luis 
Published: January 2023

AbstractNon‐covalent hybrid materials based on graphene and A3‐type copper corrole complexes were computationally investigated. The corroles complexes contain strong electron‐withdrawing fluorinated substituents at the meso positions. Our results show that the non‐innocent character of corrole moiety modulates the structural, electronic, and magnetic properties once the hybrid systems are held. The graphene‐corrole hybrids displayed outstanding stability via the interplay of dispersion and electrostatic driving forces, while graphene act as an electron reservoir. The hybrid structures exposed an intriguing magneto‐chemical performance, compared to the isolated counterparts, that evidenced how structural and electronic effects contributed to the magnetic response for both ferromagnetic and antiferromagnetic cases. Directional spin polarization and spin transfer from the corrole to the graphene surface participate in the amplification. Finally, there are relations between the spin transfer, the magnetic response, and the copper distorted ligand field, offering exciting hints about modulating the magnetic response. Therefore, this work shows that copper corroles emerged as versatile building blocks for graphene hybrid materials, especially in applications requiring a magnetic response.
CFD‐PBM simulation of the column flotation unit of FCMC: Importance of gas–liquid interphase forces models
Authors: Wang Mengdie , Ni Chao , Bu Xiangning , Peng Yaoli , Xie Guangyuan , Tan Zhongchao , Yu Hesheng 
Published: January 2023

AbstractThe cyclonic micro‐bubble flotation column (FCMC) is an efficient flotation device for the separation of fine minerals, but its mechanisms are rarely studied using computational fluid dynamics (CFD). This paper reports the air–water two‐phase computational fluid dynamics‐population balance model (CFD‐PBM) simulations for the column flotation unit of an FCMC. The shear stress transport (SST) k‐ω model with curvature correction (CC) is used to simulate turbulence effects. Then, the interphase forces models considering bubble size distribution are selected according to the experimental data in a bubble column, which is in analogy to the column flotation unit of the FCMC. Finally, the optimal combination of interphase forces models (i.e., the Ishii–Zuber drag force model, the Hosokawa–Frank wall lubrication force model, and the Lopez de Bertodano turbulent dispersion force model) is applied to simulate an FCMC with a superficial gas velocity of 0.0144 m/s. The results show that the CFD‐PBM simulation can achieve a relative error of 9.09% for gas volume fraction and −5.45% for bubble rising velocity, indicating the reliability of the selected combination of interphase forces models.
Talachalasins A—C, Undescribed Cytochalasans with a 16β‐Methyl or 2‐Oxabicyclo[3.3.1]nonan‐3‐one unit from the Deep‐Sea‐Derived Fungus Talaromyces muroii sp. SCSIO 40439
Authors: Ding Xuemin , Ye Weixia , Tan Bin , Song Qiaoyun , Chen Yuchan , Liu Wei , Sun Lili , Tang Wei , Qiao Yulei , Zhang Qingbo , Zhang Haibo , Wang Ying , Zhang Weimin , Zhang Changsheng , Zhang Wenjun 
Published: January 2023

Comprehensive SummaryTalachalasins A—C (1—3), three new cytochalasans (CYTs), were isolated from deep‐sea‐derived fungus Talaromyces muroii sp. SCSIO 40439. The structures of 1—3, including absolute configurations, were determined based on HRESIMS, NMR spectroscopic data, ECD comparison, and single crystal X‐ray diffraction analysis. Talachalasins A—C (1—3) represented the first examples of cytochalasans possessing a unique 16β‐methyl group, distinct from >500 reported CYTs. Talachalasin C (3) was an unprecedented 20,21‐seco‐cytochalasans characterized by a 2‐oxabicyclo[3.3.1]nonan‐3‐one unit. Talachalasin A (1) displayed moderate cytotoxic activity against four tumor cell lines (IC50 3.40—10.02 μM). Talachalasin B (2) showed comparable anti‐RSV and HSV‐1 activities (IC50 12.5 μM or IC50 20.0 μM).
Radioligand Binding to Quantify Adrenergic Receptor Expression in the Heart
Authors: Grisanti Laurel A. 
Published: January 2023

Abstractβ‐adrenergic receptors regulate cardiac function in both the healthy and failing heart. Their expression is decreased in heart failure due to chronic overactivation of the sympathetic nervous system, contributing to declines in cardiac function and disease progression. Furthermore, therapies that prevent β‐adrenergic receptor downregulation or restore β‐adrenergic receptor levels are beneficial, making the determination of cardiac β‐adrenergic receptor expression in the heart an important consideration. Although quantitative RT‐PCR can provide an indication of β‐adrenergic receptor density and subtype expression, mRNA levels do not always correlate with functional protein levels. Additionally, antibodies to β‐adrenergic receptors lack specificity, making immunoblotting and other antibody‐based techniques unreliable. Radioligand binding assays were developed over 50 years ago and remain the gold standard for quantifying β‐adrenergic receptor densities in biological samples. This technique capitalizes on the binding of high‐affinity, highly specific ligands to receptors and can give quantifiable levels of receptor expression. Furthermore, competition assays using subtype‐selective antagonists generate binding profiles and can differentiate β‐adrenergic receptor subtype expression in cardiac tissue. This article focuses on the quantification of β‐adrenergic receptors in the heart using saturation and competition radioligand binding techniques to quantify β‐adrenergic receptor density and ligand affinities in cardiac membranes. © 2023 Wiley Periodicals LLC.Basic Protocol: Radioligand binding to quantify adrenergic receptor expression in the heart
Life Cycle Impact Assessment of Solution Combustion Synthesis of Titanium Dioxide Nanoparticles and Its Comparison with More Conventional Strategies
Authors: Rosa Roberto , Paradisi Enrico , Lassinantti Gualtieri Magdalena , Mugoni Consuelo , Cappucci Grazia Maria , Ruini Chiara , Neri Paolo , Ferrari Anna Maria 
Published: January 2023

AbstractThis paper represents the first attempt to quantitatively and reliably assess the environmental sustainability of solution combustion synthesis (SCS) with respect to other soft chemistry strategies, which are more conventionally employed in the preparation of engineered oxide nanomaterials, namely hydrolytic and non‐hydrolytic sol–gel syntheses (i. e., HSGS and NHSGS). Indeed, although SCS is well known to rely on significant reduction in the energy as well as time required for the obtainment of the desired nanocrystals, its quantitative environmental assessment and a detailed comparison with other existing synthetic pathways represents an absolute novelty of high scientific desirability in order to pursue a more sustainable development in the inorganic chemistry as well as materials science research fields. TiO2 nanoparticles were selected as the material of choice, for the production of which three slightly modified literature procedures were experimentally reproduced and environmentally evaluated by the application of the comprehensive life cycle assessment (LCA) methodology. Particularly, SCS was compared from an environmental perspective with sol–gel approaches performed both in water and in benzyl alcohol. The results of the present study were also framed among those recently obtained in a systematic study assessing seven further chemical, physical, and biological routes for the synthesis of TiO2 nanoparticles, comprising also flame spray pyrolysis (typically used in industrial productions), highlighting and quantifying the excellent environmental performances of SCS.
In‐depth immunophenotyping reveals significant alteration of lymphocytes in buffalo with brucellosis
Authors: Grandoni Francesco , Signorelli Federica , Martucciello Alessandra , Napolitano Francesco , De Donato Immacolata , Donniacuo Anna , Di Vuolo Gabriele , De Matteis Giovanna , Del Zotto Genny , Davis William C. , De Carlo Esterina 
Published: January 2023

AbstractWater buffalo (Bubalus bubalis) has a prominent position in the livestock industry worldwide but still suffers from limited knowledge on the mechanisms regulating the immune against infections, including brucellosis (BRC), one of the most significant neglected zoonotic diseases of livestock. Seventy‐three buffalo were recruited for the study. Thirty‐five were naturally infected withBrucella spp. The aims of the study were to (i) verify the cross‐reactivity of 16 monoclonal antibodies (mAbs) developed against human, bovine, and ovine antigens; (ii) evaluate lymphocyte subset alterations in BRC positive buffalo; (iii) evaluate the use of the canonical discriminant analysis (CDA), with flow cytometric data, to discriminate BRC positive from negative animals. A new set of eight mAbs (anti CD3e, CD16, CD18, CD45R0, CD79a; CD172a) were shown to cross‐react with water buffalo orthologous molecules. BRC positive animals presented a significant (p < 0.0001) decrease in the percentage of PBMC (29.5 vs. 40.3), total, T and B lymphocytes (23.0 vs. 35.5, 19.2 vs. 28.9, 2.6 vs. 5.7, respectively). In contrast, they showed an increase in percentage of granulocytes (65.2 vs. 55.1;p < 0.0001) and B lymphocytes CD21neg(22.9 vs. 16.1;p = 0.0067), a higher T/B lymphocyte ratio (10.3 vs. 6.4;p = 0.0011) and CD3+/CD21+(14.7 vs. 8.3;p = 0.0005) ratio. The CDA, applied to 33 different flow cytometric traits, allowed the discrimination of all BRC positive from negative buffalo. Although this is a preliminary study, our results show that flow cytometry can be used in a wide range of applications in livestock diseases, including in support of uncertain BRC diagnoses.
Prevalence and prognosis of frailty in older patients with stage B heart failure with preserved ejection fraction
Authors: Meng Chen , Chai Ke , Li Ying‐Ying , Luo Yao , Wang Hua , Yang Jie‐Fu 
Published: January 2023

AbstractAimsFrailty in older patients with stage B heart failure with preserved ejection fraction (HFpEF) has not been fully explored. We evaluated the prevalence and prognostic significance of frailty in older patients diagnosed with stage B HFpEF.MethodsOur prospective cohort study included inpatients aged ≥65 years who were followed up for 3 years. Stage B HFpEF was defined as cardiac structural or functional abnormalities with a left ventricular ejection fraction (LVEF) ≥ 50% without signs or symptoms. Frailty was assessed using the Fried phenotype. The primary outcome was 3‐year all‐cause mortality or readmission.ResultsOverall, 520 older inpatients diagnosed with stage B HFpEF [mean ± standard deviation age: 75.5 ± 6.25 years, male: 222 (42.7%)] were included in the study. Of these, 145 (27.9%) were frail. Frail patients were older (78.5 ± 6.23 vs. 74.3 ± 6.22 years, P < 0.001), with a lower body mass index (24.6 ± 3.60 vs. 25.7 ± 3.27 kg/m2, P = 0.001), higher level of N‐terminal pro‐B‐type natriuretic peptide [279 (interquartile range: 112.4, 596) vs. 140 (67.1, 266) pg/mL, P < 0.001], longer timed up‐and‐go test result (19.9 ± 9.71 vs. 13.3 ± 5.08 s, P < 0.001), and poorer performance in the short physical performance battery (4.1 ± 3.26 vs. 8.2 ± 2.62, P < 0.001), basic activities of daily living (BADL, 4.7 ± 1.71 vs. 5.7 ± 0.57, P < 0.001), and instrumental activities of daily living (IADL, 4.4 ± 2.73 vs. 7.4 ± 1.33, P < 0.001). Frail patients were more likely to have a Mini‐Mental State Examination (MMSE) score <24 (55.9% vs. 28.8%, P < 0.001) and take more than five medications (64.1% vs. 47.2%, P = 0.001). Frail patients had a higher incidence of all‐cause mortality or readmission (62.8% vs. 47.7%, P = 0.002), all‐cause readmission (56.6% vs. 45.9%, P = 0.029), and readmission for non‐heart failure (55.2% vs. 41.3%, P = 0.004) during the 3‐year follow‐up, with a 1.53‐fold (95%CI 1.11–2.11, P = 0.009) higher risk of all‐cause mortality or readmission, a 1.52‐fold (95%CI 1.09–2.11, P = 0.014) higher risk of all‐cause readmission, and a 1.70‐fold (95%CI 1.21–2.38, P = 0.002) higher risk of readmission for non‐clinical heart failure, adjusted for sex, age, polypharmacy, Athens Insomnia Scale, MMSE, LVEF, BADL, and IADL.ConclusionsFrailty is common in elderly patients with stage B HFpEF. Physical frailty, particularly low physical activity, can independently predict the long‐term prognosis in these patients.