bluuebunny/crossref_metadata_2025 huggingface dataset:
Computational protocol for predicting 19F NMR chemical shifts for PFAS and connection to PFAS structure
Authors: Mifkovic Maleigh , Pauling Jessica , Vyas Shubham
Published: June 2022

Per‐ and polyfluoroalkyl substances (PFAS) are robust “forever” chemicals that have become global environmental contaminants due to their inability to degrade using traditional techniques. In addition to the persistent nature of PFAS, the structural and functional diversity in PFAS creates a unique challenge in identification and remediation. Their identification is further complicated by the absence of standards for many PFAS. This work is aimed at developing a protocol for computing and establishing accurate 19F NMR chemical shifts for PFAS using density functional theory (DFT), which can aid in the identification of PFAS. The impact of solvation and basis sets was evaluated by comparing the computed data with the experimental measurements. Results showed the addition of dispersion corrections in the methodology improve the accuracy of calculated NMR parameters within 4 ppm of the experimental values. Adding a second diffuse function and additional polarization did not improve the accuracy, likely because of the electronegativity of fluorine which does not allow the electron density of fluorine atoms to be polarized. The inclusion of various implicit solvation (DMSO, chloroform, and water) yielded negligible differences in accuracy, and were overall less accurate than the gas phase calculations. The most accurate methodology was then applied to more environmentally relevant PFAS, and the impact of helical nature on the NMR signatures was evaluated. The implication of this work is to be able to improve the identification of structurally diverse PFAS using the 19F NMR.
On–off switching of the correlated motion in a rotation‐inversion dual‐mode molecular system
Authors: Chen Zi‐Jian , Lu Hsiu‐Feng , Chao Ito , Yang Jye‐Shane
Published: June 2022

We report herein a new rotation‐inversion dual‐motion molecular switch (1), in which a 3,3‐dimethylazetidinyl (DMAZ) group is the rotator and a stiff‐stilbene is the helical stator. There are two sets of nuclear magnetic resonance (NMR) signals in the DMAZ group, the H‐shaped AZ protons and the planar C2‐symmetrical Me protons, for probing the kinetics of the DMAZ rotation and the stiff‐stilbene inversion. While the two motion modes are highly correlated in (E)‐1, they are decoupled in (Z)‐1. The rotation‐inversion correlated motion in (E)‐1 is governed by the faster inversion mode, whereas the inversion is much slower than the rotation in (Z)‐1. Consequently, photochemical isomerization between (E)‐1 and (Z)‐1 switches not only the relative rate of the rotation versus inversion motion but also the on–off behavior of the rotation‐inversion correlated motion. This work shows the cooperation of two sets of proton signals in elucidating the correlated motion in a dual‐motion molecular system.
Genetic variants, gene expression, and soluble CD36 analysis in acute coronary syndrome: Differential protein concentration between ST‐segment elevation myocardial infarction and unstable angina
Authors: Parra‐Reyna Brenda , Padilla‐Gutiérrez Jorge Ramón , Aceves‐Ramírez Maricela , García‐Garduño Texali Candelaria , Martínez‐Fernández Diana Emilia , Jacobo‐García Jennifer J. , Valdés‐Alvarado Emmanuel , Valle Yeminia
Published: June 2022

Background

Atherosclerosis plays an important role in the pathophysiology of acute coronary syndrome (ACS). CD36 is a scavenger receptor involved in lipid metabolism. Some single‐nucleotide variants in the non‐coding region could indirectly alter the expression and the function of the protein.

Objective

The aim of this study was to investigate the gene and protein expression associated with CD36 variants (rs1194182;C > G; rs1049654;C > A, rs1334512;G > T, and rs3211892;G > A) in ACS patients from the western Mexican population.

Methods

We recruited 310 ACS patients and 308 subjects in the control group (CG). Genotyping was determined by TaqMan SNP genotyping assays. CD36 expression at the mRNA level was quantified by TaqMan gene expression assays. Soluble CD36 (sCD36) was measured by enzyme‐linked immunosorbent assay.

Results

We show that rs1194182G > C variant provides a protective effect with a 1.7‐fold lower susceptibility to develop ACS (p  = 0.03); however, this association was masked by diabetes and dyslipidemia. We observed a higher sCD36 concentration in patient with ST‐segment elevation myocardial infarction (STEMI) compared with patients with unstable angina (UA) (p  = 0.038). Likewise, in diabetic patients versus non‐diabetic (p < 0.001). We observed in patients an increase in CD36 mRNA expression (1.91 times higher) than in the CG (p  = 0.02).

Conclusion

The rs1194182 seems to be associated with diabetes in a risky manner, in ACS patients and protective for dyslipidemia in both groups. The concentration of sCD36 seems to be associated with the clinical spectrum of the ACS patients and the presence of diabetes, since patients with STEMI present significantly elevated level compared with UA.
ECG Evaluation as Part of the Clinical Pharmacology Strategy in the Development of New Drugs: A Review of Current Practices and Opportunities Based on Five Case Studies
Authors: Darpo Borje , Borin Marie , Ferber Georg , Galluppi Gerald R. , Hopkins Seth C. , Landry Ishani , Lo Arthur , Rege Bhaskar , Reyderman Larisa , Sun Lei , Watanabe Takao , Xue Hongqi , Yasuda Sally
Published: June 2022

The International Conference on Harmonization (ICH) E14 document was revised in 2015 to allow concentration–corrected QT interval (C–QTc) analysis to be applied to data from early clinical pharmacology studies to exclude a small drug‐induced effect on QTc. Provided sufficiently high concentrations of the drug are obtained in the first‐in‐human (FIH) study, this approach can be used to obviate the need for a designated thorough QT (TQT) study. The E14 revision has resulted in a steady reduction in the number of TQT studies and an increased use of FIH studies to evaluate electrocardiogram (ECG) effects of drugs in development. In this review, five examples from different sponsors are shared in which C–QTc analysis was performed on data from FIH studies. Case 1 illustrates a clearly negative C–QTc evaluation, despite observations of QTc prolongation at high concentrations in nonclinical studies. In case 2 C–QTc analysis of FIH data was performed prior to full pharmacokinetic characterization in patients, and the role of nonclinical assays in an integrated risk assessment is discussed. Case 3 illustrates a positive clinical C–QTc relationship, despite negative nonclinical assays. Case 4 demonstrates a strategy for characterizing the C–QTc relationship for a nonracemic therapy and formulation optimization, and case 5 highlights an approach to perform a preliminary C–QTc analysis early in development and postpone the definitive analysis until proof of efficacy is demonstrated. The strategy of collecting and storing ECG data from FIH studies to enable an informed decision on whether and when to apply C–QTc analysis to obviate the need for a TQT study is described.
Evaluation of mindfulness practice in mitigating impostor feelings in dental students
Authors: Pastan Christina DiBona , Mc Donough Allison Leigh , Finkelman Matthew , Daniels Juliette C.
Published: June 2022

Objectives

This study examined (i) the prevalence of impostor feelings in first‐year dental students, (ii) student perceptions of a mindfulness practice as a tool to cope with impostor feelings, and (iii) students’ ability to identify their level of impostor feelings.

Methods

Two hundred three D1 students at a single institution participated in a mandatory Mind‐Body Wellness Course that included the presentation “Understanding Imposter Phenomenon” (lecture #1) and a second presentation “Impostor Phenomenon and Mindfulness: Tools for Success” (lecture #2) 6 months later. Before lecture #2, all students predicted the level to which they suffer from imposter feelings and then took the Clance Impostor Phenomenon Scale (CIPS) to determine the actual level. After lecture #2, 155 of the students completed a survey on whether the mindfulness practices in the lecture impact their perceptions on coping with impostor feelings.

Results

Fifty‐two percent of students were classified as frequent or intense impostors by the CIPS. Fifty‐one percent predicted their CIPS classification correctly; 43% underestimated their impostor classification. After lecture #2, 86% reported feeling confident they could recognize their impostor feelings, and 93% reported feeling more aware of how impostor feelings influence their thoughts, behaviors, and actions. Eighty‐six percent reported feeling the mindfulness exercise was a helpful tool to build habits to cope with impostor feelings; 83% reported feeling confident they could utilize mindfulness practices to mitigate these feelings when they arise.

Conclusions

Frequent or intense impostor feelings may be common in first‐year dental students. Mindfulness practice has potential to mitigate such impostor feelings.
Daratumumab–bortezomib–dexamethasone use in relapsed POEMS syndrome
Authors: Khwaja Jahanzaib , Keh Ryan , Smyth Duncan , Lunn Michael Peter , D'Sa Shirley , Sive Jonathan
Published: June 2022

POEMS syndrome is a rareparaneoplastic disorder driven by an underlying low level plasma cell dyscrasiaand associated with elevated serum vascular endothelial growth factor (VEGF). Dueto its rarity, there are no internationally agreed standards of care, with verylimited data to guide management in the relapse setting. Agents used in myelomaare rational choices and have been employed. Daratumumab has been reported intwo case studies with lenalidomide‐dexamethasone, one in the upfront and one inthe relapsed setting. We are the first to report here three cases ofdaratumumab‐bortezomib‐dexamethasone (DVd) use in relapsed POEMS postautologous stem cell transplant with good VEGF and clinical responses. Our casesadd to the literature on efficacy of daratumumab and are the first to report onits safe use with bortezomib in relapsed POEMS. It should be considered as aclinical option, in patients not responding to conventional first linetherapies.
Associations between hospitalist physician workload, length of stay, and return to the hospital
Authors: Djulbegovic Mia , Chen Kevin , Cohen Andrew B. , Heacock Daniel , Canavan Maureen , Cushing William , Agarwal Ritu , Simonov Michael , Chaudhry Sarwat I.
Published: June 2022

Background

Hospitalist physicians' workload–the total number of patients they care for daily–is rising in the U.S. Hospitalists report that increased workload negatively affects patients care.

Objective

Measure the associations between hospitalist physicians' workload and clinical outcomes.

Design, Settings, and Participants

Observational study, using electronic health record (EHR) data, of adults hospitalized on the hospitalist service at Yale‐New Haven Hospital from 2015‐2018.

Main Outcome and Measures

We defined hospitalists' workload as the number of patients they cared for on the first full hospital day of a given patient's encounter. We used multilevel Poisson and logistic regression to examine associations between workload and length of stay (LOS), return to the Emergency Department (ED), and readmission. We adjusted for sociodemographic factors, patient complexity and severity of illness, and weekend admission (for LOS) or discharge (for ED visits or readmission).

Results

We analyzed 38,141 hospitalizations. Median patient age was 64 years (IQR 51‐78 years), 53% were female, and 34% were nonwhite. Mean workload was 15 patients (SD 3 patients; range 10‐34 patients). LOS was prolonged by 0.05 days (95% CI 0.02, 0.08; p(0.001) when comparing the 75th workload percentile (16 patients) to the 25th workload percentile (13 patients). There were no associations between workload and ED visits or readmission within 7 and 30 days.

Conclusions

There was a statistically significant but modest relationship between workload and LOS; workload was not associated with ED visits or readmissions.Given clinical reports of the deleterious effects of increased hospitalist workload, there is a need for prospective research assessing a range of outcomes, beyond those measurable in contemporary EHR data.
Evaluation of Coupled Model Intercomparison Project Phase 6 model‐simulated extreme precipitation over Indonesia
Authors: Kurniadi Ari , Weller Evan , Kim Yeon‐Hee , Min Seung‐Ki
Published: June 2022

The ability of 42 global climate models from the Coupled Model Intercomparison Project Phase 6 (CMIP6), consisting of 20 low resolution (LR) and 22 medium resolution (MR), are evaluated for their performance in simulating mean and extreme precipitation over Indonesia. Compared to Climate Hazards Group InfraRed Precipitation with Station data (CHIRPS), the model climatologies and interannual variability are investigated individually and as multimodel ensemble means (MME‐mean) at monthly and seasonal time scales for the historical simulation over the period 1988–2014. Overall, results show that both LR and MR CMIP6 model skills in simulating mean and extreme precipitation indices vary across specific Indonesian regions and seasons. The individual and MME‐mean tend to overestimate the observed climatology, being largest over drier regions, yet MR models perform better compared to the LR regarding the mean bias presumably due to increased resolution. CMIP6 models tend to simulate extreme precipitation better in the dry seasons compared to the wet season. The MME‐means of the LR and MR groups mostly outperform the individual models of each group in simulating wet extremes (R95p and Rx5d) but not for the dry extremes (CDD). Among the 42 CMIP6 models, three models consistently perform poorly in simulating Rx5d and R95p, namely FGOALS‐g3, IPSL‐CM6A‐LR, and IPSL‐CM6A‐LR‐INCA, and one model in consecutive dry day (CDD) simulation, MPI‐ESM‐1‐2‐HAM, and caution is warranted. Given the knowledge of such biases, the LR and MR CMIP6 climate models can be suitably applied to assist policy makers in their decision on climate change adaptation and mitigation action.
Association between periodontitis and peripheral markers of innate immunity activation and inflammation
Authors: Dopico José , Botelho João , Ouro Alberto , Domínguez Clara , Machado Vanessa , Aramburu‐Nuñez Marta , Custodia Antía , Blanco Teresa , Vázquez‐Reza María , Romaus‐Sanjurjo Daniel , Blanco Juan , Leira Rogelio , Sobrino Tomás , Leira Yago
Published: June 2022

Background

Immune response leading to increased systemic inflammation is one of the mechanisms linking periodontitis to chronic inflammatory diseases. The aim of this study was to compare the expression of toll‐like receptors 2 and 4 in monocytes and neutrophils (TLR2M, TLR2N, TLR4M, and TLR4N) and its endogenous ligands (cellular fibronectin [cFN] and heat shock protein 60 [HSP60]) in patients with and without periodontitis. Additionally, the relationship between cFN and HSP60 expression with innate immunity activation and systemic inflammatory response (interleukin 6 [IL‐6]) was also evaluated.

Methods

A case‐controlled study was designed in which 30 patients with periodontitis (cases) and 30 age‐ and sex‐matched participants without periodontitis (controls) were included. Fasting blood samples were collected to determine: (1) expression of TLR2N, TLR2M, TLR4N, and TLR4M by flow cytometry; and (2) serum concentrations of cFN, HSP60, and IL‐6 by ELISA technique.

Results

Expression of TLR2M (411.5 [314.2, 460.0] vs. 236.5 [204.0, 333.0] AFU), TLR2N (387.0 [332.0, 545.5] vs 230.0 [166.2, 277.7] AFU), TLR4M (2478.5 [1762.2, 2828.0] vs 1705.0 [1274.5, 1951.2] AFU), and TLR4N (2791.0 [2306.7, 3226.2] vs. 1866.0 [1547.5, 2687.2] AFU) as well as serum levels of cFN (301.1 [222.2, 410.9] vs. 156.4 [115.3, 194.0] ng/ml) and IL‐6 (10.4 [6.5, 11.5] vs. 3.5 [2.6, 4.9] pg/ml) were significantly higher in periodontitis patients than those without periodontitis. A positive association was found between periodontitis and cFN (odds ratio [OR] = 1.028, p < 0.001), TLR2N (OR = 1.026, p < 0.001), TLR4M (OR = 1.001, p = 0.002), and IL‐6 (OR = 1.774, p < 0.001).

Conclusions

Periodontitis patients exhibited high expression of TLRs, cFN, and IL‐6.
Interactive effects of conservation tillage on the aggregate stability and soil organic carbon
Authors: Yang Sha , Wang Yaxin , Wang Zhigang , Yan Xiaobin , Feng Meichen , Xiao Lujie , Song Xiaoyan , Zhang Meijun , Li Guangxin , Shafiq Fahad , Yang Wude , Wang Chao
Published: June 2022

Background

Soil carbon sequestration is of great significance to achieve carbon neutralization at an early date.

Aims

The present study was conducted in order to explore the interactive effects of conservation tillage on soil organic carbon (SOC) and aggregate stability, and to understand the response of soil organic carbon to aggregate structure and distribution characteristics.

Methods

Undisturbed soil from varying depths was collected from the conservation tillage demonstration base under differential tillage practices (NT, no‐tillage mulch; DT, deep‐tillage mulch; CT, conventional‐tillage mulch). SOC and stable‐aggregates of different particle sizes, their number, and structures were analyzed and the relationship between the stability of soil aggregates and SOC was presented.

Results

The SOC content was the highest under CT treatment (1.67 g kg–1) and the lowest under NT treatment (1.31 g kg–1). In surface soil, the number of macroaggregates (>0.25 mm, M) under NT treatment was the largest (89.1%), the mean weight diameter (MWD) and geometric mean diameter (GMD) of water stability and mechanical aggregates were the highest, and the fractal dimension (D) was the lowest. This indicated that the NT treatment could maintain the aggregate structure of surface soil well. In the short term, DT and CT could increase SOC content, while NT could decrease SOC content. There was a significant correlation between SOC content and MWD (R2 = 0.40), GMD (R2 = 0.38), and D (R2 = 0.44). The more stable the aggregate structure, the higher the soil fixation and maintenance of SOC.

Conclusions

SOC content and aggregate stability have a synergistic effect, and NT can promote the formation of soil aggregates, improve their stability, and balance the distribution of carbon in soil aggregates with different particle sizes.
Sinonasal Mucosal Melanoma: Role of Tumor Proliferative Indices and Pathological Factors in Survival
Authors: Guo Ruifeng , Jenkins Sarah M. , Johnson Brian J. , Reed Katelyn , Kroneman Trynda , Choby Garret
Published: June 2022

Objective

The objective of this study is to determine the association of proliferation indices and pathologic biomarkers on overall and recurrence/metastasis‐free survival (OS and RMFS) in patients with sinonasal mucosal melanoma (SNMM) and to assess the genetic mutational landscape of SNMM.

Methods

This is a retrospective cohort study of 45 SNMM patients without neoadjuvant therapy who underwent surgical therapy with curative intent and had tumor tissue available for histopathologic review, molecular analysis, and genetic mutational assessment. The OS and RMFS were assessed for associations with numerous tumor and patient‐related factors.

Results

Among proliferative indices, higher Ki67 and mitotic rates were associated with worsened OS and RMFS (Ki67: p = 0.0007 and p < 0.0001; mitotic rate: p = 0.005 and p = 0.0009, respectively). The presence of brisk tumor‐infiltrating lymphocytes (TILs) was associated with improved RMFS (p = 0.007) and the presence of lymphovascular invasion was associated with worsened OS and RMFS (p = 0.02 and p = 0.04, respectively). Patients with amelanotic tumors were more likely to have higher T‐stage (p = 0.046), less likely to have brisk TILs (p = 0.02) and had worsened RMFS (p = 0.03). Patients on immunotherapy with tumor Ki67 < 40% had better 3‐year OS compared to those with higher Ki67 index (p = 0.004). Actionable genetic mutations such as BRAF V600E are rare and present in only 1 of 20 patients tested.

Conclusion

In SNMM patients, pathologic and proliferation markers such as Ki67, mitotic rate and brisk TILs are associated with survival and may be considered in future staging systems. Clinical response to immunotherapy appears to correlate with the Ki67 index. Given the distinct genetic profile of SNMM, targeted therapies against the MAPK kinase pathway have limited utility.

Level of Evidence

3 Laryngoscope, 132:2350–2358, 2022
Microbiological mechanism underlying vegetation restoration across climatic gradients in a karst ecosystem
Authors: Xiao Dan , He Xunyang , Zhang Wei , Hu Peilei , Sun Mingming , Wang Kelin
Published: June 2022

Bacteria, fungi, and protist are important in driving nutrient cycling. The microbiological mechanism underlying vegetation restoration during different temperature and precipitation gradients remains unclear. To determine the relationship between microbes and nutrients, we examined the changes in soil bacterial, fungal, and protist diversity and community composition under two different temperatures in a plantation forest and shrubland as well as reference cropland in a karst region. Bacterial and protist diversity in the warm and low‐altitude region of Guangxi (average temperature 20.9°C) was higher in cropland than in shrubland or plantation forest. By contrast, fungal richness was lower in cropland than in shrubland. A co‐occurrence network revealed higher numbers of correlated links among the bacterial, fungal, and protist taxa in the cool and high‐altitude region of Guizhou (average temperature 14.6°C) than in the warm and low‐altitude region of Guangxi. Stronger interactions were observed among microbial taxa under cropland than in vegetation restoration. The protist groups Cercozoa and Lobosa showed the highest numbers of links with the bacterial phyla Acidobacteria and Proteobacteria and with the fungal phylum Ascomycota. The numbers of Proteobacteria, Ascomycota, and Cercozoa were most correlated with soil nutrient levels of carbon, nitrogen, and phosphorus. Overall, microbial interactions were higher at low temperatures than at high temperatures, consequently intensifying the predation of bacteria and fungi by protists at a low‐temperature level. Furthermore, Proteobacteria, Ascomycota, and Cercozoa were the keystone taxa linked to nutrient availability; hence, effective monitoring of these dominant groups may be beneficial for increasing nutrient accumulation during vegetation restoration.
Direct Imaging of Weak‐to‐Strong‐Coupling Dynamics in Biological Plasmon–Exciton Systems
Authors: Yuan Zhiyi , Huang Shih‐Hsiu , Qiao Zhen , Gong Chaoyang , Liao Yikai , Kim Munho , Birowosuto Muhammad D. , Dang Cuong , Wu Pin Chieh , Chen Yu‐Cheng
Published: June 2022

Optical coupling plays a pivotal role in nanophotonic systems, which can be divided into weak, intermediate, and strong‐coupling regimes. Monitoring optical coupling strength is, therefore, the key to understanding light–matter interactions. State‐of‐the‐art approaches based on spectral measurements offer the power to quantify and characterize optical coupling strength at a single cavity level. However, it remains challenging to dynamically characterize coupling strength during the transition from strong‐ to weak‐coupling regimes for many systems simultaneously. Here, a far‐field imaging technique is reported that can directly monitor optical coupling dynamics in plasmon–exciton systems, allowing multiple nanocavity emissions to be characterized from weak‐ to strong‐coupling regimes. Light‐harvesting biomolecules—chlorophyll‐a—is employed to study dynamic light–matter interactions in strongly coupled plasmonic nanocavities. Identification of coupling strength is achieved by extracting red, green, and blue (RGB) values from dark‐field images and an enhancement factor from fluorescence images. Lastly, the ability to monitor subtle changes of coupling dynamics in bioplasmonic nanocavity is demonstrated. These findings may deepen the understanding in light–matter interactions, paving new avenues toward applications in quantum‐based biosensing and imaging.
Telomere length is associated with intima‐media thickness in pediatric liver transplant patients: A prospective cohort study
Authors: Memaran Nima , Wilke Hannes , Sugianto Rizky I. , Baumann Ulrich , Bauer Elena , Swallow Maxine , Beuke Esther , Junge Norman , Pfister Eva D. , Grabitz Carl , Richter Nicolas , Goldschmidt Imeke , Schmidt Bernhard M. W. , Melk Anette
Published: June 2022

Leukocyte telomere length (LTL) is a marker for biological age. Pediatric liver transplant recipients show a high rate of subclinical atherosclerosis, indicated by elevated intima‐media thickness (IMT). We hypothesized that atherosclerosis is associated with biological age in these patients and investigated the course of LTL over time. We measured LTL from peripheral blood leukocytes by quantitative polymerase chain reaction and IMT from 97 pediatric patients after liver transplantation in a prospective cohort study. Of the patients, 71% (n = 69) had two or more assessments (total, 228 observations; median follow‐up, 1.1 years). Lower LTL was associated with higher IMT (β = −0.701, p = 0.01) and higher aspartate aminotransferase (β = −0.001, p = 0.02), adjusted for age, sex, and age at transplantation. Of the patients, 45% showed decreasing LTL over time, whereas 55% exhibited stable LTL. Patients with stable LTL showed a decrease in IMT (median, −0.02 mm/year) and a decrease of tacrolimus trough levels (median, −0.08 μg/L/year). LTL is associated with IMT independent of age in pediatric liver transplant patients, suggesting that early aging contributes to the high burden of subclinical cardiovascular damage and may furthermore negatively affect the graft.
Design of New Functional Flame‐Retardant System for High‐Performance Epoxy Thermosets Enabled by Bifunctional Few‐Layer Black Phosphorus and Synergistic Strategy
Authors: Pan Juncheng , Wu Minghong , Chu Hanghang , Nie Shifeng , Fu Liyun , Cao Bo , Liu Shumei , Zhao Jianqing , Xie Weiqi
Published: June 2022

In this paper, a new highly effective functional flame‐retardant system is designed and fabricated by the combination of bifunctional amino‐functionalized few‐layer black phosphorus (BP‐NH2) and 9,10‐dihydro‐9‐oxa‐10‐phosphaphenanthrene‐10‐oxide (DOPO), and BP‐NH2 is utilized as both the flame‐retarded synergistic agent of DOPO and the reinforcing agent for bisphenol A diglycidyl ether (DGEBA) epoxy thermoset. The cured epoxy thermoset with a low phosphorus loading (EP/DOPO‐0.4/BP‐NH2‐0.3, P content = 0.5 wt%) passes the UL‐94 V‐0 rating with a limiting oxygen index of 34.5%. EP/DOPO‐0.4/BP‐NH2‐0.3 also shows 20.8% and 16.0% reduction in the peak heat release rate and total heat release as compared to that of pure epoxy thermoset. Furthermore, EP/DOPO‐0.4/BP‐NH2‐0.3 exhibits significant enhancements in tensile modulus and strength, which are, respectively, increased by 11.4% and 18.0%. Thus, by combining a synergistic effect strategy and the bifunctional BP‐NH2, the fabrication of epoxy thermosets with high comprehensive (outstanding flame‐resistance and mechanical properties) performance can be achieved. This paper offers a facile and scalable approach to construct a highly‐effective functional flame‐retardant system and new insight into the versatility of BP‐NH2, possessing great potential for scalable production and utilization in fire‐safe high‐performance matrix materials.
How useful are crowdsourced air temperature observations? An assessment of Netatmo stations and quality control schemes over the United Kingdom
Authors: Coney Jonathan , Pickering Ben , Dufton David , Lukach Maryna , Brooks Barbara , Neely Ryan R.
Published: June 2022

Observations of the real‐time state of the atmosphere are required in order to initialize numerical weather prediction (NWP) models. As NWP resolution improves, more observations are needed, to better capture regional variations in atmospheric conditions. In particular, surface observations are necessary to reflect conditions experienced on the surface. One proposed opportunity to increase the number of surface observations available for assimilation into NWP is to crowdsource the data from home weather stations. This study investigates the outdoor air temperature measurements made by Netatmo home weather stations, through validation against a calibrated laboratory chamber and by evaluating quality control schemes that are applied to a UK‐wide network of Netatmo stations. In a series of controlled lab experiments, it was found that the Netatmo temperature sensor was accurate to 0.3°C. The response to fluctuations in temperature is lagged, with τ (the time taken for 63% of the change to be measured) calculated as 12.7 min for a near‐instantaneous decrease in temperature. Netatmo temperature observations were compared with Met Office MIDAS hourly weather observations. A warm bias in excess of 1°C was present in the Netatmo temperature observations, which was lessened by the three quality control schemes tested, but still in excess of 0.5°C. Hence, Netatmo temperature measurements have potential to be assimilated in NWP in the United Kingdom, but work is required to find a suitable agreed quality control scheme to filter out anomalous observations in the United Kingdom.
Effects of the HEARTY exercise randomized controlled trial on eating behaviors in adolescents with obesity
Authors: Alberga Angela S. , Edache Iyoma Y. , Sigal Ronald J. , von Ranson Kristin M. , Russell‐Mayhew Shelly , Kenny Glen P. , Doucette Steve , Prud'homme Denis , Hadjiyannakis Stasia , Cameron Jameason D. , Goldfield Gary S.
Published: June 2022

Background

There are well‐recognized benefits of behavioral interventions that include exercise for children and adolescents with obesity. However, such behavioral weight management programs may precipitate unintended consequences. It is unclear if different exercise modalities impact eating behaviors differently in youth with obesity.

Objectives

The purpose of this study was to examine the effects of aerobic, resistance, and combined aerobic and resistance exercise training on eating attitudes and behaviors (uncontrolled eating, restrained eating, emotional eating, external eating and food craving) among adolescents with overweight and obesity.

Methods

N = 304 (70% female) adolescents with overweight and obesity participated in the 6‐month Healthy Eating Aerobic and Resistance Training in Youth (HEARTY) randomized controlled trial. All participants were inactive post‐pubertal adolescents (15.6 ± 1.4 years) with a mean BMI = 34.6 ± 4.5 kg/m2. The Food Craving Inventory (food cravings), Dutch Eating Behavior Questionnaire (restrained eating, emotional eating, external eating), and the Three‐Factor Eating Questionnaire (uncontrolled eating) were used to assess eating attitudes and behaviors.

Results

All exercise groups showed within‐group decreases in external eating and food cravings. Participants randomized to the Combined training group and were more adherent showed the greatest improvements in eating behaviors and cravings.

Conclusions

A 6‐month exercise intervention produced improvements in disordered eating behaviors and food cravings, but effects may be gender and modality‐specific. Findings highlight the need to tailor exercise intervention to participant characteristics for the promotion of healthier eating and weight management outcomes in youth with obesity.

Clinical Trial Registration # and Date: ClinicalTrials.Gov NCT00195858, September 12, 2005
Utilising the ‘COM‐B’ bio‐psychosocial approach to aid diabetes management
Authors: McCrossan Tracy , Lannon Rosa , Tarling Rachel , Dooher Mary , Forshaw Mark , Poole Helen
Published: June 2022

With many individuals living with diabetes failing to make the necessary behaviour change to optimise glycaemic control1 it is imperative that staff involved in their care have the skills required to guide them in this respect. The COM‐B assists in this regard as it provides a behaviour‐change model based on scientific evidence and theory in a practical and accessible format, which enables non‐specialists to design and implement behaviour‐change interventions. This paper reports a case of psychological assessment, formulation and intervention in a patient with type 1 diabetes mellitus associated anxiety and sub‐optimal diabetes management. It highlights: (1) the importance of a bio‐psychological approach to assessment and formulation; (2) the value of involving the patient in their care from the outset; and (3) the ease at which the COM‐B can be routinely applied in clinical settings. Copyright © 2022 John Wiley & Sons.
Challenges and opportunities to diabetes and endocrinology training during and beyond the COVID‐19 pandemic
Authors: Vathenen Ramu , Khan Jansher , Edwards Amy , Gelding Susan V , Khanji Mohammed Y , Gunganah Kirun
Published: June 2022

The COVID‐19 pandemic posed unprecedented new challenges to diabetes and endocrinology (D&E) training. We reflect from our local experience on its impact and lessons we can learn.

Necessary restructuring of clinical services resulted in more general medicine and less inpatient specialty exposure. Outpatient clinic opportunities were reduced as clinics were postponed and virtual consultations became more frequent. Training opportunities such as local teaching and conferences were cancelled, and academic training often put on hold. Together these had a significant impact on training in D&E.

However, the necessary restructuring can also be used to change D&E training for the better. Virtual consultations could improve opportunities for clinic attendance as physical space is a lesser issue. Remote access to clinical systems should be more widely available, thus promoting flexible working for trainees. The necessity for virtual teaching has seen the emergence of on‐demand services and the option of online attendance. Barriers to attending teaching, such as travel time and leave, are a lesser issue than ever before, particularly for conferences. The wellbeing of doctors is also being supported increasingly after the pandemic.

The lessons we learn from this pandemic should be used to transform the face of D&E training and improve flexibility and job satisfaction. Such solutions can be applied to other current and future demands on specialty training. Copyright © 2022 John Wiley & Sons.
Highly branched polyethylene used as sorbents for oil‐spill cleanup and separation
Authors: Song Shao‐Fei , Wang Cheng , Fu Zhi‐Sheng , Fan Zhi‐Qiang
Published: June 2022

Highly branched polyethylene (HBPE) was developed into practical application as highly efficient sorbent material for oil‐spill cleanup and oil/water separation. To obtain large‐scale production of HBPE, a thermal stable Ni(II)‐α‐diimine catalyst for ethylene polymerization in our previous work has been employed to prepare the polyolefin material in a 10‐liter polymerization reactor with a high activity (>106 gPE/mol[Ni] h). The structure, molecular weight and distribution, thermal and mechanical properties were systematically characterized by NMR, ATR‐FTIR, GPC, DSC, DMA, and TGA, respectively. Through simple but feasible cross‐linking process, the HBPE‐based oil‐absorption materials with contact angles up to 111.5° were directly applied into absorption test using various oil and pure hydrocarbons. Reusability and recovery of the absorption materials and oil or solvents were probed by drying or using the distillation method. Oil/water separation was made to determine the hydrophobic and oleophilic nature of this material. Flory‐Rehner polymer swelling theory is employed to study the structure–property relationship via determining the network structure including cross‐linking densityρcand average molecular weightMcbetween two cross‐links. The mixture of sorbent material after absorbing oil was regarded as crude oil component to simulate oil refinery process by thermogravimetric analysis, providing an alternative approach for oil‐collection.
Polysaccharide extract from Isatidis Radix inhibits multiple inflammasomes activation and alleviate gouty arthritis
Authors: Ren Lutong , Li Qiang , Li Hui , Zhan Xiaoyan , Yang Ruichuang , Li Zhiyong , Fang Zhie , Liu Tingting , Wei Ziying , Zhao Jia , Lin Li , Mou Wenqing , Dai Wenzhang , Bai Zhaofang , Xu Guang , Cao Junling
Published: June 2022

The polysaccharide extract from Isatidis Radix exhibits potent antiinflammatory and antiviral activities, but the mechanism of Isatidis Radix polysaccharide (IRP) remains obscure. Herein, we reported that IRP blocked the activation of nod‐like receptor pyrin domain‐containing 3 (NLRP3) inflammasome, leading to the inhibiting of caspase‐1 cleavage and IL‐1β secretion. Mechanistically, IRP did not inhibit NLRP3 inflammasome through suppressing mitochondrial reactive oxygen species (mtROS) production. However, IRP can significantly suppress the oligomerization of apoptosis‐associated speck‐like protein (ASC) and subsequently block the formation of inflammasome. Next, we evaluate the role of IRP in monosodium urate (MSU)‐induced gout in vivo which is a NLRP3‐associated disease. We also observed that oral administration of IRP can reduce the increased ankle thickness and the secretion of IL‐1β, IL‐18, IL‐6, TNF‐α and MPO of the mouse ankle joints caused by MSU crystals. Furthermore, flow cytometry analysis highlighted a significant modulation of T helper 17 cells (Th17)/regulatory T cells (Treg) following IRP treatment in MSU induced gout. Overall, our findings suggest that IRP has comprehensive and potent antiinflammatory effects and provide a reasonable therapeutic strategy in preventing inflammasome‐associated diseases, such as inflammatory gouty arthritis.
Robotic colorectal surgery in elderly patients: A single‐centre experience
Authors: Hannan Enda , Feeney Gerard , Fahad Ullah Mohammad , Condon Eoghan , Coffey John Calvin , Peirce Colin
Published: June 2022

Introduction

The purpose of this study was to evaluate outcomes in elderly patients (age ≥ 65 years) undergoing robotic colorectal surgery (RCRS) in comparison with non‐elderly patients.

Materials and Methods

Data was collected on elderly and non‐elderly patients who underwent RCRS from a prospectively maintained database.

Results

A total of 89 elderly and 73 non‐elderly patients were identified. No statistically significant differences in postoperative complication, reoperation, wound infection, anastomotic leak or mortality were observed. The median length of stay was 1 day longer in elderly patients (p = 0.007). Subgroup analysis of octogenarians demonstrated outcomes that compared favourably with younger patients.

Conclusion

RCRS in elderly patients is safe and effective, with outcomes that do not differ significantly with younger patients. Older age should not be considered to be a specific exclusion criteria for RCRS. To our knowledge, this study represents the largest in the literature to examine outcomes specifically in elderly patients undergoing RCRS.
A straightforward meta‐analysis approach for oncology phase I dose‐finding studies
Authors: Röver Christian , Ursino Moreno , Friede Tim , Zohar Sarah
Published: June 2022

Phase I early‐phase clinical studies aim at investigating the safety and the underlyingdose‐toxicityrelationship of a drug or combination. While little may still be known about the compound's properties, it is crucial to consider quantitative information available from any studies that may have been conducted previously on the same drug. A meta‐analytic approach has the advantages of being able to properly account for between‐study heterogeneity, and it may be readily extended to prediction or shrinkage applications. Here we propose a simple and robust two‐stage approach for the estimation of maximum tolerated dose(s) utilizing penalized logistic regression and Bayesian random‐effects meta‐analysis methodology. Implementation is facilitated using standardRpackages. The properties of the proposed methods are investigated in Monte Carlo simulations. The investigations are motivated and illustrated by two examples from oncology.
Atomically Dispersed CoN3C1‐TeN1C3 Diatomic Sites Anchored in N‐Doped Carbon as Efficient Bifunctional Catalyst for Synergistic Electrocatalytic Hydrogen Evolution and Oxygen Reduction
Authors: Wang Minmin , Zheng Xiuhui , Qin Donglin , Li Min , Sun Kaian , Liu Chuhao , Cheong Weng‐Chon , Liu Zhi , Chen Yanju , Liu Shoujie , Wang Bin , Li Yanpeng , Liu Yunqi , Liu Chenguang , Yang Xuan , Feng Xiang , Yang Chaohe , Chen Chen , Pan Yuan
Published: June 2022

A encapsulation–adsorption–pyrolysis strategy for the construction of atomically dispersed Co‐Te diatomic sites (DASs) that are anchored in N‐doped carbon is reported as an efficient bifunctional catalyst for electrocatalytic hydrogen evolution reaction (HER) and oxygen reduction reaction (ORR). The as‐constructed catalyst shows the stable CoN3C1‐TeN1C3 coordination structure before and after HER and ORR. The *OOH/*H intermediate species are captured by in situ Raman and in situ attenuated total reflectance‐surface enhanced infrared absorption spectroscopy, indicating that the reactant O2/H2O molecule has a strong interaction with the Co site, revealing that Coδ+ is an effective active site. Theoretical calculations show that the Coδ+ has adsorption‐activation function and the neighboring Teδ+ acts as an electron donor adjusting the electronic structure of Coδ+, promoting the dissociation of H2O molecules and the adsorption of H and oxygen‐containing intermediates in HER and ORR. In the meanwhile, the nearest C atom around Co also profoundly affects the adsorption of H atoms. This results in the weakening of the OH adsorption and enhancement of H adsorption, as well as the more stable water molecule dissociation transition state, thus significantly boosting ORR and HER performance.
Achieving Highly Reversible Zinc Anodes via N, N‐Dimethylacetamide Enabled Zn‐Ion Solvation Regulation
Authors: Wu Fangfang , Chen Yuchao , Chen Yulong , Yin Ruilian , Feng Yancong , Zheng Dong , Xu Xilian , Shi Wenhui , Liu Wenxian , Cao Xiehong
Published: June 2022

Although aqueous zinc–ion batteries (ZIBs) are promising for scalable energy storage application, the actual performance of ZIBs is hampered by the irreversibility. Optimization of electrolyte composition is a relatively practical and facile way to improve coulombic efficiency (CE) and Zn plating/stripping reversibility of ZIBs. N,N‐Dimethylacetamide (DMA) has a higher Gutmann donor number (DN) than that of H2O, abundant polar groups, and economic price. Herein, a mixture electrolyte containing 10 vol% DMA and ZnSO4, which has an enhanced Zn reversibility almost fourfold higher than that of pure ZnSO4 electrolyte, is demonstrated. The density functional theory (DFT) calculation and spectroscopic analysis reveal DMA has the ability to reconstruct the solvation structure of Zn2+ and capture free water molecules via forming Hbonds. The inhibited dendrite growth on Zn anode is further clarified by an in situ characterization. This work provides a feasible way for the development of long‐lifespan ZIBs.
Aspects affecting the nonlinear behavior of precast prestressed hollow‐core units failing in shear
Authors: Sarkis Ana I. , Büker Frank , Sullivan Timothy J. , Elwood Kenneth J. , Brunesi Emanuele , Hogan Lucas S.
Published: June 2022

Due to the extrusion manufacturing process, hollow‐core units in New Zealand do not have transverse shear reinforcement. The prestressing strands will not be fully developed near the ends of the hollow‐core units, which significantly affects the shear capacity and makes them prone to transverse and web cracking under deformation demands. In addition, initial end slip of the strands caused during cutting of the units in the production process may exacerbate this effect. This vulnerability of hollow‐core slabs was remarked during the 2016 Kaikōura earthquake, where an estimated 22% of the damaged buildings presented transverse cracking to hollow‐core units, sometimes accompanied by evident web cracking. The observed damaged, produced by earthquake‐imposed deformations, highlighted the urgency to advance the understanding of the behavior of hollow‐core floors. Subsequently, an experimental testing program was initiated to investigate the properties of extruded concrete and the shear strength of hollow‐core units under different shear span‐to‐depth or aspect ratios. The 200 mm deep specimens were loaded well beyond the peak shear force to study the postpeak behavior of the hollow‐core units. Additionally, the present study evaluates the effect of initial end slip of the prestressing strands on the pre and postpeak capacity of the units. The results obtained are compared against the formulations provided by commonly used design standards such as the New Zealand concrete standard NZS3101:2006, the ACI 318‐19, as well as the fib Model Code 2010 and the BS EN 1168:2005.
An investigation on the effect of hybrid fiber reinforced on the flexural behavior of RC beams having different lap‐spliced lengths
Authors: Turk Kazim , Bassurucu Mahmut
Published: June 2022

There are only a few studies related to the effect of the hybrid fiber reinforcement on the flexural behavior of full‐scale beam specimens having lap‐spliced length. Thus, this study will ensure important experimental data about the effect of macro steel fibers blended with micro steel fibers on lap‐spliced length. The aim of this study was to investigate the influence of hybrid steel fiber reinforcement on the flexural behavior of full‐scale reinforced concrete beams having different lap‐spliced bars. A sum of three traditional concrete mixtures including a total of 1% fiber by volume fraction was adopted: control mixture without steel fiber, only macro steel fiber and hybrid steel fiber reinforced mixtures. For this purpose, 18 full‐scale beams (200 × 300 × 2000 mm) having three different lap‐spliced length (15, 25, and 35Ø) as tension steel bars were produced and tested under four‐point bending to examine flexural behavior, mode of failure, ductility, and energy absorption capacity properties. In conclusion, the hybrid fiber reinforcement caused the highest increase in the load carrying capacity of the beam specimens. Besides, the hybrid fiber reinforced beam specimens exhibited excellent ductility and energy absorption capacity compared to single fiber reinforced beam specimens. On the other hand, it can be addressed that the hybrid fiber reinforced structural elements had a vital important to compensate the application errors and carelessness in steel bar workmanship, inadequate the lap‐spliced length as per the codes. It can be emphasized that the lap‐spliced length as per the building codes can be reduced in 40% by containing hybrid steel fiber (0.8% macro‐0.2% micro) reinforced concrete without a reduction in load carrying capacity, ductility, and energy absorption capacity compared to control beam specimens without fiber.
Efficiency improvement of Roots vacuum pump working process
Authors: Burmistrov Aleksey , Raykov Alexey , Isaev Aleksandr , Salikeev Sergey , Kapustin E. , Fomina Marina
Published: June 2022

In this paper influence of rotor profile type of Roots vacuum pumps on backward leakage through channels of rotor mechanism and pumping speed is considered.

Elliptical, involute, and circular profiles are widely used. Backward leakage through channels of rotor mechanism with different rotor profiles is determined from conductance which was calculated by angular coefficients method for free molecular flow regime at different rotors rotating angles. It is shown that backward leakage is maximal at rotors rotating angles 25–45° due to maximal inter‐rotor channel opening for gas flow and is minimal at 0°. Elliptical rotor profile provides minimal backward leakage over one revolution.

Numerical modeling of Roots pump working process was carried out on the basis of CFD ANSYS‐CFX complex by dynamic meshing method. SST turbulence model was used for calculations. It is confirmed that maximal pumping speed is provided by Roots pump with elliptical rotor profile.