bluuebunny/crossref_metadata_2025_split huggingface dataset:
Broadband NMR Relaxometry as a Powerful Technique to Study Molecular Dynamics of Ionic Liquids
Authors: Fraenza Carla C. , Greenbaum Steven G. 
Published: May 2023

AbstractFast field cycling nuclear magnetic resonance (FFC NMR) relaxometry technique has been demonstrated to be a useful analytical tool to investigate molecular dynamics in very diverse systems during the last decades. Of particular importance has been its application in studying ionic liquids, upon which this review article is based. Some of the research carried out on ionic liquids during the last ten years using this technique is highlighted in this article with the aim of promoting the favorable features of FFC NMR applied toward understanding dynamics of complex systems.
A New Technique for Calculating Kinetic and Thermodynamic Barriers for Nucleation Rates and Interfacial Energy of CaCO3 Prenucleation Nanoclusters at High Temperature Using TGA Models and In Situ Crystallization
Authors: Sabbarwal Shivesh , Srivastava Prachi , Verma Vivek Kumar , Kumar Manoj 
Published: May 2023

AbstractNucleation at different temperature levels can provide quantitative insights into the energy barrier associated with sub‐molecular nuclei. The accurate calculation of nucleation rates, thermodynamics, and interfacial energy for extremely small nanoclusters (1−2 nm) remains a challenge at high temperatures. Here, , are computed to estimate the nucleation rate of ultra‐small CaCO3 pre‐nucleation clusters (0.85 nm) from thermogravimetric analysis (TGA) experimental values in the temperature range from 555 to 795 K, by adopting the most accurate iterative iso‐conversional method and random nucleation dependent differential function , respectively. On the basis of these analyses, four mathematical models are presented for computing nucleation rates and interfacial energy (mJ m−2 variation with temperature and conversion for CaCO3 prenucleation clusters. Furthermore, experimental validation is also carried out in order to assess the existence of nucleation in CaCO3 pre‐nucleation clusters at high temperatures (500 °C) using X‐ray diffraction and experimental z(α) master plots. The TGA can be used to predict and understand nucleation rates for various nano systems.
Cognitive‐behavioral therapy for binge‐eating disorder for non‐responders to initial acute treatments: Randomized controlled trial
Authors: Grilo Carlos M. , Lydecker Janet A. , Gueorguieva Ralitza 
Published: May 2023

AbstractObjectiveCertain treatments have demonstrated acute efficacy for binge‐eating disorder (BED) but many patients who receive “evidence‐based” interventions do not derive sufficient benefit. Given the dearth of controlled research examining treatments for patients who fail to respond to initial interventions, this study tested the efficacy of cognitive‐behavioral therapy (CBT) for patients with BED who do not respond to initial acute treatments.MethodsProspective randomized double‐blind placebo‐controlled single‐site trial, conducted August 2017–December 2021, tested 16‐weeks of therapist‐led CBT for non‐responders to initial treatment (naltrexone/bupropion and/or behavioral therapy) for BED with obesity. Thirty‐one patients (mean age 46.3 years, 77.4% women, 80.6% White, mean BMI 38.99 kg/m2) who were non‐responders to initial acute treatments were randomized to CBT (N = 18) or no‐CBT (N = 13), in addition to continuing double‐blinded pharmacotherapy. Independent assessments were performed at baseline, throughout treatment, and posttreatment; 83.9% completed posttreatment assessments.ResultsIntention‐to‐treat remission rates were significantly higher for CBT (61.1%; N = 11/18) than no‐CBT (7.7%; N = 1/13). Mixed models of binge‐eating frequency (assessed using complementary methods) converged revealing a significant interaction between CBT and time and a significant main effect of CBT. Binge‐eating frequency decreased significantly with CBT but did not change significantly with no‐CBT. Since only four patients received behavioral treatment during the acute treatments, we performed “sensitivity‐type” analyses restricted to the 27 patients who received pharmacotherapy during the acute treatment and found the same pattern of findings for CBT versus no‐CBT.ConclusionsAdult patients with BED who fail to respond to initial pharmacological treatments should be offered CBT.Public SignificanceEven with leading evidence‐based treatments for binge‐eating disorder, many patients do not derive sufficient benefit. Almost no controlled research has examined treatments for patients who fail to respond to initial interventions. This study found that that cognitive‐behavioral therapy was effective for patients with binge‐eating disorder who did not respond to initial interventions, with 61% achieving abstinence.
Synthesis of Spirocyclic and Fused Isoxazoline Building Blocks
Authors: Chalyk Bohdan A. , Izhyk Vitalii V. , Danyleiko Kyrylo , Sosunovych Bohdan , Vashchenko Bohdan V. , Zginnyk Oleksandr , Olshanska Violetta , Teodorovic Peter , Biitseva Angelina V. , Volochnyuk Dmitriy M. , Grygorenko Oleksandr O. 
Published: May 2023

AbstractA highly efficient multigram synthesis of spirocyclic and fused isoxazoline building blocks is described. Isoxazoline‐3‐carboxylates were synthesized via a regioselective 1,3‐dipolar cycloaddition reaction of 2‐chloro‐2‐(hydroxyimino)acetate and carbo‐ or heterocyclic alkenes bearing endo‐ or exocyclic C=C double bonds, resulting in fused or spirocyclic isoxazolines, respectively. The preparation of up to 300 g of these compounds was achieved in a single run. The ester group of isoxazolines was then subjected to common synthetic transformations for the synthesis of corresponding building blocks, including alcohols, chlorides, azides, amines, aldehydes, carboxylic acids, amino acids and their derivatives, difluoromethyl‐substituted compounds, and bicyclic γ‐lactones. Additionally, a direct cycloaddition‐based approach to the synthesis of aminoalkyl‐ and chloromethyl‐substituted isoxazolines was proposed to improve their preparation. The described isoxazoline building blocks are expected to be valuable tools for drug discovery.
Toxicity of Coumaphos Residues in Beeswax Foundation to the Honey Bee Brood
Authors: Kast Christina , Droz Benoît , Kilchenmann Verena 
Published: May 2023

Abstract
Coumaphos is one of the most frequently detected pesticides in recycled beeswax. The objective was to assess the maximal level of coumaphos in foundation sheets that could exist without lethal effects on the honey bee larvae. Brood development was followed in cells drawn on foundation squares containing coumaphos ranging from 0 to 132 mg/kg. Furthermore, larval exposure was determined by measuring the coumaphos level in the drawn cells. Coumaphos levels in the initial foundation sheets up to 62 mg/kg did not increase brood mortality because the emergence rates of bees raised on these foundation squares were similar to controls (median of 51%). After a single brood cycle, coumaphos levels in the drawn cells were up to three times lower than the initial levels in foundation sheets. Hence, coumaphos levels of 62 mg/kg in the initial foundation sheets, almost the highest exposures, resulted in levels of 21 mg/kg in drawn cells. A significantly reduced emergence rate (median of 14%) was observed for bees raised on foundation sheets with initial coumaphos levels of 132 mg/kg, indicating increased brood mortality. Such levels resulted in coumaphos concentrations of 51 mg/kg in drawn cells, which is close to the median lethal concentration (LC50) as determined in previous in vitro experiments. In conclusion, brood mortality was increased on wax foundation sheets with initial coumaphos levels of 132 mg/kg, while no elevated mortality was observed for levels up to 62 mg/kg. Environ Toxicol Chem 2023;42:1816–1822. © 2023 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Characterization of active Cerish fructan‐sumac extract composite films: Physical, mechanical, and antioxidant properties
Authors: Pakseresht Somaye , Hadree Jouhaina , Sedaghat Nasser 
Published: May 2023

AbstractThe biodegradable active films have the potential to increase the shelf life and safety of food products. In this study, the properties of Eremurus spectabilis (Cerish) root fructans (ESRF) film and its combination with Rhus coriaria L. (Sumac) extract (RCLE) at different concentrations (1%, 2%, 3%, and 4% w/w) were investigated. The Fourier transform infrared (FTIR) analysis determined the fingerprint region of fructans at 950–1150 cm−1 in all spectrograms. RCLE increased the interactions between the hydroxyl groups and the formation of intermolecular bonds in composite films. Elongation‐at‐break (EAB) and tensile strength (TS) did not change significantly. However, RCLE increased Young's modulus (YM) (p ˂ .05), thermal stability, and crystallinity of composite films. RCLE also increased the film thickness and decreased the water content, solubility, and swelling degree significantly. RCLE improved the reducing ability and free radical‐scavenging activity of composite films. Present results indicated that the ESRF/RCLE films were the protective barriers to the permeability of water vapor. The incorporation of RCLE increased the surface hydrophobicity and caused the composite film microstructure to become uniform and more compact. Overall, the Sumac extract at the specific concentration of 3% can be used to improve the Cerish fructans film properties and extend the product's shelf life in active food packaging.
Risk aversion and COVID‐19 vaccine hesitancy
Authors: Lepinteur Anthony , Borga Liyousew G. , Clark Andrew E. , Vögele Claus , D’Ambrosio Conchita 
Published: May 2023

AbstractWe here investigate the role of risk aversion in COVID‐19 vaccine hesitancy. The theoretical effect is ambiguous, as both COVID‐19 infection and vaccination side‐effects involve probabilistic elements. In large‐scale data covering five European countries, we find that vaccine hesitancy falls with risk aversion, so that COVID‐19 infection is perceived as involving greater risk than is vaccination.
Burnout and associated factors among healthcare workers in acute care settings at a tertiary teaching hospital in Tanzania: An analytical cross‐sectional study
Authors: Lwiza Alex F. , Lugazia Edwin R. 
Published: May 2023

AbstractBackground and AimsHealthcare worker burnout has been linked to increased patient safety risk, low work professionalism, and low satisfaction with the care encounter. This study aimed to find the prevalence and factors associated with burnout among healthcare workers in acute care settings at a national referral hospital in Tanzania.MethodsAn analytical cross‐sectional study was performed at a national referral hospital in Tanzania. Healthcare workers at the departments of Emergency Medicine, Intensive Care Unit, and Anesthesia at Muhimbili National Hospital were recruited from January 2021 to March 2021. A two‐part questionnaire adopted from the Maslach Burnout Inventory (MBI) and MBI‐Human Services Survey tool were administered to measure burnout. Categorical variables were summarized using frequencies and percentages, and variables were compared using logistic regression.ResultsA total of 174 healthcare workers were issued questionnaires to participate in the study. With a response rate of 78%, 135 healthcare workers were included in the study, 43.7% were from the intensive care unit; the majority were female (63.7%), and assistant nursing officers (42%). The prevalence of burnout among participants was 62%, with 90.4% of participants showing a high level of emotional exhaustion. A longer duration of a single‐day shift was associated with increased burnout among work‐related factors (p < 0.001). Fewer night‐time sleeping hours, tobacco use, and lack of regular exercise were significantly associated with increased burnout among social‐related factors (p < 0.001).ConclusionThe study showed an alarmingly high prevalence of burnout among healthcare workers in the acute care setting of Muhimbili National Hospital. Personal well‐being and participation in wellness programs have been associated with a reduced prevalence of burnout. The hospital should address the issue of burnout among its healthcare workers. This also calls for immediate action, necessitating further studies at the regional and national levels to ascertain the burden and causes of burnout in this setting.
Fibulin‐2: A potential regulator of immune dysfunction after bone trauma
Authors: Li Shidan , Jiang Hao , Wang Shaochuan , Li Youbin , Guo Debin , Zhan Jijie , Li Qiaohui , Meng Hao , Chen Ankang , Chen Limin , Dai Xiaoyan , Li Xiaoming , Xing Wei , Li Lei , Fei Jun 
Published: May 2023

AbstractObjectivesTo reveal the relationship between the fibulin‐2 protein and immune dysfunction after bone trauma.MethodsIndividuals who were admitted to the study were divided into a bone trauma group, a recovered from bone trauma group and a volunteer without bone trauma group based on the reason for admission. Fibulin‐2 levels in the three groups were compared. Fibulin‐2‐knockout (fibulin‐2−/−) mice and wild‐type (WT) mice were used to detect susceptibility to infection. Hematoxylin and eosin (HE) staining and immunohistochemical staining were employed to observe pathological changes in each organ from fibulin‐2−/− mice and WT mice.ResultsIn total, 132 patients were enrolled in this study. The fibulin‐2 level in the bone trauma group was lower than that in the recovered bone trauma group (3.39 ± 1.41 vs. 4.30 ± 1.38 ng/mL, t = 2.948, p < .05) and also lower than that in the volunteers without bone trauma group (3.39 ± 1.41 vs. 4.73 ± 1.67 ng/mL, t = 4.135, p < .05). Fibulin‐2−/− mice are more prone to infection. Compared with those in WT mice, spleen function and thymus function in fibulin‐2−/− mice were impaired. Immunohistochemical staining revealed that compared with those in WT mice, significantly fewer CD4+ T cells, CD8+ T cells, and CD19+ B cells were noted in the spleen and thymus of fibulin‐2−/− mice.ConclusionsThe plasma fibulin‐2 level was lower in patients with bone trauma. Decreased fibulin‐2 is associated with immune dysfunction after bone trauma.
Brain‐Tumor Interface‐Based MRI Radiomics Models to Determine EGFR Mutation, Response to EGFR‐TKI and T790M Resistance Mutation in Non‐Small Cell Lung Carcinoma Brain Metastasis
Authors: Fan Ying , Wang Xinti , Yang Chunna , Chen Huanhuan , Wang Huan , Wang Xiaoyu , Hou Shaoping , Wang Lihua , Luo Yahong , Sha Xianzheng , Yang Huazhe , Yu Tao , Jiang Xiran 
Published: May 2023

BackgroundPreoperative assessment of epidermal growth factor receptor (EGFR) status, response to EGFR‐tyrosine kinase inhibitors (TKI) and development of T790M mutation in non‐small cell lung carcinoma (NSCLC) patients with brain metastases (BM) is important for clinical decision‐making, while previous studies were only based on the whole BM.PurposeTo investigate values of brain‐to‐tumor interface (BTI) for determining the EGFR mutation, response to EGFR‐TKI and T790M mutation.Study TypeRetrospective.PopulationTwo hundred thirty patients from Hospital 1 (primary cohort) and 80 patients from Hospital 2 (external validation cohort) with BM and histological diagnosis of primary NSCLC, and with known EGFR status (biopsy) and T790M mutation status (gene sequencing).Field Strength/SequenceContrast‐enhanced T1‐weighted (T1CE) and T2‐weighted (T2W) fast spin echo sequences at 3.0T MRI.AssessmentTreatment response to EGFR‐TKI therapy was determined by the Response Evaluation Criteria in Solid Tumors. Radiomics features were extracted from the 4 mm thickness BTI and selected by least shrinkage and selection operator regression. The selected BTI features and volume of peritumoral edema (VPE) were combined to construct models using logistic regression.Statistical TestsThe performance of each radiomics model was evaluated using the area under the receiver operating characteristic (ROC) curve (AUC).ResultsA total of 7, 3, and 3 features were strongly associated with the EGFR mutation status, response to EGFR‐TKI and T790M mutation status, respectively. The developed models combining BTI features and VPE can improve the performance than those based on BTI features alone, generating AUCs of 0.814, 0.730, and 0.774 for determining the EGFR mutation, response to EGFR‐TKI and T790M mutation, respectively, in the external validation cohort.Data ConclusionBTI features and VPE were associated with the EGFR mutation status, response to EGFR‐TKI and T790M mutation status in NSCLC patients with BM.Evidence Level: 3Technical Efficacy: Stage 2
Hemodynamic Parameters in the Parent Arteries of Unruptured Intracranial Aneurysms Depend on Aneurysm Size and Are Different Compared to Contralateral Arteries: A 7 Tesla 4D Flow MRI Study
Authors: van Tuijl Rick J. , Timmins Kimberley M. , Velthuis Birgitta K. , van Ooij Pim , Zwanenburg Jaco J.M. , Ruigrok Ynte M. , van der Schaaf Irene C. 
Published: May 2023

BackgroundDifferent Circle of Willis (CoW) variants have variable prevalences of aneurysm development, but the hemodynamic variation along the CoW and its relation to presence and size of unruptured intracranial aneurysms (UIAs) are not well known.PurposeGain insight into hemodynamic imaging markers of the CoW for UIA development by comparing these outcomes to the corresponding contralateral artery without an UIA using 4D flow magnetic resonance imaging (MRI).Study TypeRetrospective, cross‐sectional study.SubjectsThirty‐eight patients with an UIA, whereby 27 were women and a mean age of 62 years old.Field Strength/SequenceFour‐dimensional phase‐contrast (PC) MRI with a 3D time‐resolved velocity encoded gradient echo sequence at 7 T.AssessmentHemodynamic parameters (blood flow, velocity pulsatility index [vPI], mean velocity, distensibility, and wall shear stress [peak systolic (WSSMAX), and time‐averaged (WSSMEAN)]) in the parent artery of the UIA were compared to the corresponding contralateral artery without an UIA and were related to UIA size.Statistical TestsPaired t‐tests and Pearson Correlation tests. The threshold for statistical significance was P < 0.05 (two‐tailed).ResultsBlood flow, mean velocity, WSSMAX, and WSSMEAN were significantly higher, while vPI was lower, in the parent artery relative to contralateral artery. The WSSMAX of the parent artery significantly increased linearly while the WSSMEAN decreased linearly with increasing UIA size.ConclusionsHemodynamic parameters and WSS differ between parent vessels of UIAs and corresponding contralateral vessels. WSS correlates with UIA size, supporting a potential hemodynamic role in aneurysm pathology.Level of Evidence2Technical EfficacyStage 2
Comparative evaluation of static and dynamic simulated digestion models
Authors: Wang Yanan , Liu Kun , Lu Meishan , Shi Jiachen , Xu Yong‐Jiang , Liu Yuanfa 
Published: May 2023

AbstractBACKGROUNDThe digestion behavior of lipids plays a crucial role in their nutritional values. Currently, the complex dynamic variations of human gastrointestinal conditions are considered in simulated digestion models. The present study compared the digestion behavior of glycerol trilaurate (GTL), glycerol tripalmitate (GTP) and glycerol tristearate (GTS) in a static in vitro digestion model and a dynamic in vitro digestion model. In the dynamic digestion model, the parameters of gastric juice secretion, the rate of gastric emptying, the secretion of intestinal juice and the pH variations were estimated.RESULTSThe dynamic digestion model showed a certain extent of gastric lipase hydrolysis, while almost no lipolysis happened in the gastric phase of the static digestion model. A smoother digestive behavior was observed in the dynamic model than that in the static model. In the static model, the particle size distribution in gastric and intestinal phase changed rapidly in all triacylglycerol (TAG) groups. The change of particle size during the whole digestion period in GTL is more moderate than GTP and GTS. In addition, the final free fatty acids release degree was 58.558%, 54.36%, and 52.97% for GTL, GTP, and GTS, respectively.CONCLUSIONThis study illustrated the different digestion profiles of TAGs in two digestion models and the results will contribute to a better understanding of different in vitro digestion models in lipid digestion. © 2023 Society of Chemical Industry.
The Diagnostic Role of Shear Wave Elastography and Superb Microvascular Imaging in the Evaluation of Suspicious Microcalcifications
Authors: Kayadibi Yasemin , Deger Enes , Kurt Seda Aladag , Ucar Ayse Kalyoncu , Adaletli Ibrahim , Ozturk Tulin , Kocael Cigdem Pinar , Velidedeoglu Mehmet , Icten Gul Esen 
Published: May 2023

ObjectivesThe aim of this study was to investigate the role of superb microvascular imaging (SMI) and shear wave elastography (SWE) in the prediction of malignancy and invasiveness of isolated microcalcifications (MC) that can be visualized by ultrasonography (US).Material and MethodsSixty‐seven women with MC, who were considered suspicious on mammography were evaluated. Only those lesions that could be visualized by US and presented as non‐mass lesion were included. They were evaluated by B‐mode US, SMI, and SWE before US‐guided core‐needle biopsy. B‐mode US, SMI (vascular index (SMIvi)), and SWE (E‐mean, E‐ratio) findings were compared with histopathologic features.ResultsPathology confirmed 45 malignant (21 invasive and 24 in situ carcinomas) and 22 benign lesions. There was a statistically significant difference between malignant and benign groups in terms of size (P = .015), distortion (P = .028), cystic component (P < .001), E‐mean (P < .001), E‐ratio (P < .001), and SMIvi (P = .006). For differentiation of invasiveness E‐mean (P = .002), E‐ratio (P = .002), and SMIvi (P = .030) were statistically significant. According to ROC analysis E‐mean (cut‐off point at 38 kPa) was the most sensitive (78%) and the most specific (95%) value among four numeric parameters (size, SMI, E‐mean, and E‐ratio) with AUC = 0.895, PPV = 97%, and NPV = 68% in detecting malignancy. In the evaluation of invasiveness, the most sensitive (71.4%) method was SMI (cut‐off point at 3.4) and the most specific (72%) method was E‐mean (cut‐off point at 91.5 kPa).ConclusionOur study shows that adding SWE and SMI to the sonographic evaluation of MC would be an advantage for US‐guided biopsy. Including suspicious areas according to SMI and SWE in the sampling area can help target the invasive part of the lesion and avoid underestimation of core biopsy.