bluuebunny/crossref_metadata_2025 huggingface dataset:
Investigation of the influence of plasticizers on the biodegradability of cellulose acetate
Authors: Teixeira Samiris Côcco , de Oliveira Taíla Veloso , Fortes‐Da‐Silva Paulo , Raymundo‐Pereira Paulo A. , Ribeiro Alane Rafaela Costa , Batista Lais Fernanda , Gomes Nathalia O. , Stringheta Paulo César , de Fátima Ferreira Soares Nilda
Published: June 2023

In order to evaluate the biodegradability of the cellulose acetate (CA) films plasticized with different concentrations of glycerol (GLY) or triethyl citrate (TEC), analysis of scanning electron microscopy (SEM), Fourier transfer infrared spectroscopy (FTIR), and thermogravimetric analyses (TGA) were conducted through 180 days. Throughout the analysis, indicators of plasticizer exudation were observed, including changes in visual appearance and mass loss, ranging from 39.141% and 20.663% (first day) up to 0.524% and 0.488% (last day) for TEC and GLY plasticizer based films, respectively. Changes were also noted in the infrared spectrum, and TGA plots with polymer degradation peaks from 332.09 to 400.96 cm−1 for both plasticizers based films (TEC and GLY, respectively), regardless of the day of analysis. All assays revealed plasticizer losses, but there was no evidence of films' biodegradation during the experimental time. In perspective, this systematic approach can be extended to study other polymers and other biodegradation conditions.
Sodium‐Dictated Free‐Standing Lignin‐Carbon Electrode towards Ultrahigh Capacitance
Authors: Neupane Manish , Yan Qiangu , He Rui , Masmoudi Rihab , Liu Yifeng , Benedict Zoe , Wang Jinwu , Tripp Carl , Dong Pei , Cai Zhiyong , Yang Yingchao
Published: June 2023

Lignin is a waste product in the paper industry and lignocellulosic biorefineries, in addition to being the second most abundant renewable biopolymer on Earth. Valorization of useless lignin into high value‐added advanced materials not only helps address the environmentally detrimental biowaste but also satisfies the societal need for energy. While lignin has been converted into porous carbon, made into slurry, and pasted onto metal forms as an electrode for lithium‐ion batteries and supercapacitors, there remains issues with how to scale up the process while achieving great area and mass capacitances in the fabricated lignin‐carbon electrodes. In this work, a thick freestanding electrode coupled by lignin carbon and sodium without any binder and additives was fabricated demonstrating a specific area capacitance of 19.7 F cm−2 at a current density of 1 mA cm−2, which is the highest among to date reported freestanding lignin carbon electrodes with similar thickness. This excellent electrochemical performance originates from high electro‐positivity and oxygen content promoted by the sodium. This work brings a new strategy towards lignin utilization and energy storage through coupling lignin carbon and alkali metals.
Dual gene‐activated dermal scaffolds regulate angiogenesis and wound healing by mediating the coexpression of VEGF and angiopoietin‐1
Authors: Weng Tingting , Yang Min , Zhang Wei , Jin Ronghua , Xia Sizhan , Zhang Manjia , Wu Pan , He Xiaojie , Han Chunmao , Zhao Xiong , Wang Xingang
Published: June 2023

The vascularization of dermal substitutes is a key challenge in efforts to heal deep skin defects. In this study, dual gene‐activated dermal scaffolds (DGADSs‐1) were fabricated by loading nanocomposite particles of polyethylenimine (PEI)/multiple plasmid DNAs (pDNAs) encoding vascular endothelial growth factor and angiopoietin‐1 at a ratio of 1:1. In a similar manner, DGADSs‐2 were loaded with a chimeric plasmid encoding both VEGF and Ang‐1. In vitro studies showed that both types of DGADSs released PEI/pDNA nanoparticles in a sustained manner; they demonstrated effective transfection ability, leading to upregulated expression of VEGF and Ang‐1. Furthermore, both types of DGADSs promoted fibroblast proliferation and blood vessel formation, although DGADSs‐1 showed a more obvious promotion effect. A rat full‐thickness skin defect model showed that split‐thickness skin transplanted using a one‐step method could achieve full survival at the 12th day after surgery in both DGADSs‐1 and DGADSs‐2 groups, and the vascularization time of dermal substitutes was significantly shortened. Compared with the other three groups of scaffolds, the DGADSs‐1 group had significantly greater cell infiltration, collagen deposition, neovascularization, and vascular maturation, all of which promoted wound healing. Thus, compared with single‐gene‐activated dermal scaffolds, DGADSs show greater potential for enhancing angiogenesis. DGADSs with different loading modes also exhibited differences in terms of angiogenesis; the effect of loading two genes (DGADSs‐1) was better than the effect of loading a chimeric gene (DGADSs‐2). In summary, DGADSs, which continuously upregulate VEGF and Ang‐1 expression, offer a new functional tissue‐engineered dermal substitute with the ability to activate vascularization.
In Vitro and Molecular Docking Evaluation of Larvicidal Effects of Essential Oils of Five Aromatic Plants on the Fall Armyworm Spodoptera frugiperda JE. Smith (Lepidoptera: Noctuidae) from Ivory Coast
Authors: Kobenan Koffi Christophe , Kouadio Ibrahime Sinan , Kouakou Malanno , Silvie Pierre , Kouadio Kra Norbert Bini , N'goran Kouadio Emmanuel , Kouakou Brou Julien , Amangoua Nogbou Ferdinand , Tehia Kouakou Etienne , Uba Abdullahi Ibrahim , Zengin Gokhan
Published: June 2023

Faced with the serious consequences resulting from the abusive and repeated use of synthetic chemicals, today rethinking crop protection is more than necessary. It is in this context that the essential oils of the Lamiaceae Ocimum gratissimum and Ocimum canum, the Poaceae Cymbopogon citratus and nardus and a Rutaceae Citrus sp. of known chemical compositions were experimented. The evaluation of the larvicidal potential of the essential oils was done by the method of topical application of the test solutions, on the L1−L2 stage larvae from the first generation of S. frugiperda obtained after rearing in an air‐conditioned room. Lethal concentrations (LC10, LC50 and LC90) were determined after 48 h. After assessing the larvicidal potential of essential oils, molecular docking was carried out to study protein‐ligand interactions and their propensity to bind to insect enzyme sites (AChE). The essential oil of O. gratissimum was the most effective with the lowest lethal concentrations (LC10=0.91 %, LC50=1.91 % and LC90=3.92 %). The least toxic oil to larvae was Citrus sp. (LC10=5.44 %, LC50=20.50 % and LC90=77.41 %). Molecular docking revealed that p‐cymene and thymol from O. gratissimum essential oil are structurally similar and bind to the AChE active site via predominantly hydrophobic interactions and a H‐bond with Tyr374 in the case of thymol. The essential oil of O. gratissimum constitutes a potential candidate for the development of biological insecticides for the fight against insect pests and for the protection of the environment.
Experimental and Computational Studies on RuII‐Catalyzed C7‐Allylation of Indolines with Allyl Bromide
Authors: Gupta Shiv Shankar , Gupta Shivangi , Manisha  , Gupta Puneet , Sharma Upendra
Published: June 2023

The selective C7‐allylation of indolines with allyl bromide under ruthenium catalysis has been revealed here. Under established reaction conditions, C7‐allylation of various indolines, including drug compounds, was accomplished with good selectivity and yields. Based on combined experimental and density functional theory (DFT) studies, the olefin insertion route was energetically favorable among four possible pathways. Experimental and DFT studies further revealed that the C−H activation is a reversible rate‐limiting step.
Examining longitudinal markers of bladder cancer recurrence through a semiautonomous machine learning system for quantifying specimen atypia from urine cytology
Authors: Levy Joshua J. , Chan Natt , Marotti Jonathan D. , Rodrigues Nathalie J. , Ismail A. Aziz O. , Kerr Darcy A. , Gutmann Edward J. , Glass Ryan E. , Dodge Caroline P. , Suriawinata Arief A. , Christensen Brock C. , Liu Xiaoying , Vaickus Louis J.
Published: June 2023

Background

Urine cytology is generally considered the primary approach for screening for recurrence of bladder cancer. However, it is currently unclear how best to use cytological examinations for assessment and early detection of recurrence, beyond identifying a positive finding that requires more invasive methods to confirm recurrence and decide on therapeutic options. Because screening programs are frequent, and can be burdensome, finding quantitative means to reduce this burden for patients, cytopathologists, and urologists is an important endeavor and can improve both the efficiency and reliability of findings. Additionally, identifying ways to risk‐stratify patients is crucial for improving quality of life while reducing the risk of future recurrence or progression of the cancer.

Methods

In this study, a computational machine learning tool, AutoParis‐X, was leveraged to extract imaging features from urine cytology examinations longitudinally to study the predictive potential of urine cytology for assessing recurrence risk. This study examined how the significance of imaging predictors changes over time before and after surgery to determine which predictors and time periods are most relevant for assessing recurrence risk.

Results

Results indicate that imaging predictors extracted using AutoParis‐X can predict recurrence as well or better than traditional cytological/histological assessments alone and that the predictiveness of these features is variable across time, with key differences in overall specimen atypia identified immediately before tumor recurrence.

Conclusions

Further research will clarify how computational methods can be effectively used in high‐volume screening programs to improve recurrence detection and complement traditional modes of assessment.
Practical applications of three‐dimensional printing for process improvement in the cytopathology laboratory
Authors: Monaco Edward A. , Reed Toby , Lynn Terrance J. , Rimini Sarah A. , Patel Aalpen A. , Monaco Sara E. , Patterson Brian S.
Published: June 2023

With the increased availability of three‐dimensional (3D) printers, innovative teaching and training materials have been created in medical fields. For pathology, the use of 3D printing has been largely limited to anatomic representations of disease processes or the development of supplies during the coronavirus disease 2019 pandemic. Herein, an institution's 3D printing laboratory and staff with expertise in additive manufacturing illustrate how this can address design issues in cytopathology specimen collection and processing. The authors' institutional 3D printing laboratory, along with students and trainees, used computer‐aided design and 3D printers to iterate on design, create prototypes, and generate final usable materials using additive manufacturing. The program Microsoft Forms was used to solicit qualitative and quantitative feedback. The 3D‐printed models were created to assist with cytopreparation, rapid on‐site evaluation, and storage of materials in the preanalytical phase of processing. These parts provided better organization of materials for cytology specimen collection and staining, in addition to optimizing storage of specimens with multiple sized containers to optimize patient safety. The apparatus also allowed liquids to be stabilized in transport and removed faster at the time of rapid on‐site evaluation. Rectangular boxes were also created to optimally organize all components of a specimen in cytopreparation to simplify and expedite the processes of accessioning and processing, which can minimize errors. These practical applications of 3D printing in the cytopathology laboratory demonstrate the utility of the design and printing process on improving aspects of the workflow in cytopathology laboratories to maximize efficiency, organization, and patient safety.
Medial–lateral organization of primary auditory cortex and the question of sound localization
Authors: Hallett Mark
Published: June 2023

Pandya made many important contributions to the understanding of the anatomy of the cortical auditory pathways beginning with his publication in 1969. This review focuses on the observation in that article on the transcallosal connections of the primary auditory cortex. The medial part of the cortex has such connections, but the lateral part does not. Pandya and colleagues speculated that this might have something to do with spatial localization of sound. Review of the subsequent literature shows that the primary auditory cortex anatomy is complex, but the original observation is likely correct. However, the physiological speculation was not.
Long term trends at a comprehensive cancer center during the COVID‐19 pandemic
Authors: Chow Emily C. , Sandercott Nicholas D. , Yoo Olivia E. , Coyle Carolyn , Johnson Jared , Chung Michael T. , Yoo George H.
Published: June 2023

Background

As the ongoing public health crisis from Coronavirus Disease 2019 (COVID‐19) pandemic puts strains on current models of cancer care, many health care centers had to adapt to minimize the risk of exposure and infection. The effects of the COVID‐19 pandemic in a comprehensive cancer center were determined.

Aims

To measure the impact of the COVID‐19 pandemic on care delivery at a comprehensive cancer center.

Methods

The number of on‐site and telehealth visits (TH) were obtained from scheduling software. Multiple factors including total visits, telehealth visits, screenings for cancer diagnosis, and cancer treatments were tracked from 2 years before the pandemic onset through 2022. The length of stay (LOS) and Case Mix Index (CMI) were calculated using hospital database.

Results

In the third quarter of FY 2020, telehealth visits (TH) represented a fifth of total patient encounters. Cancer treatments, such as chemotherapy, radiation therapy, and surgery, decreased during the pandemic with number of surgeries being most affected (23% decrease in 2020 compared to the previous fiscal year). The average length of stay (LOS) was also longer with less discharges per given time during the pandemic. The increased LOS was related to increased severity of patient illnesses since CMI was higher. Screening mammograms decreased to a nadir of 58% in 2021 as compared to those screened in pre‐pandemic fiscal years.

Conclusion

The COVID‐19 pandemic impacted many aspects of care, such as treatment and screenings. Many of these factors had to be postponed due to the fear of acquiring COVID‐19 and access to care. The findings presented implicate that the delays and changes in cancer care during the pandemic resulted in less screening and treatment of more advanced disease.
Spatial heterogeneity of soil dissolved organic matter characteristics in the riparian zone of the Three Gorges Reservoir
Authors: Zhao Yun , Kumar Amit , Wang Kehong , Lin Junjie , Yu Zhiguo , Cheng Shuxun , Zhang Shuai , Yu Zhuolin , Liu Dan
Published: June 2023

Dissolved organic matter (DOM) is one of the active soil carbon fractions. The characteristics of DOM in the riparian zone are closely related to the occurrence of eutrophication. However, there is no scientific consensus on how flooding intensity on DOM distribution in the riparian zone of the Three Gorges Reservoir (TGR). In this study, 99 soil riparian samples were collected from three water level elevations (145–155 m asl, 155–165 m asl and 165–175 m asl) in both mainstream and tributaries of the Yangtze River within the TGR. DOM characteristics were investigated using ultraviolet–visible absorption spectra and three‐dimensional fluorescence excitation–emission matrix‐parallel factor analysis as well as principal component analysis (PCA). The result showed that dissolved organic carbon (DOC), absorption coefficient at 254 nm (a254), absorption coefficient at 350 nm, specific ultraviolet absorbance at 254 nm (SUVA254), and humification index (HIX) decreased while freshness index (β:α) and biological index (BIX) increased with the decline of the water level elevations. The trend in the DOM characteristics along the riparian zone was mainly attributed to the variation in the bioavailability of DOM and fluorescence components (C1, C3 and C4). Overall, our study highlights the newly formed DOM during the dry season, indicated by β:α and BIX, might be more accumulated at the lower elevation. Furthermore, because of the greater lability during the reservoir impoundment, the newly formed DOM can be easily utilized by algae and may raise water eutrophication under re‐flooding and longer flooding, thus enforced strategic mitigation measures could help to achieve the goal of riparian restoration in TGR.
Sex differences in lifetime prevalence of low back pain: A multinational study of opposite‐sex twin pairs
Authors: Calais‐Ferreira Lucas , Pozzobon Daniel , Pinheiro Marina B. , Blyth Fiona M. , Ordoñana Juan R. , Duncan Glen E. , Hopper John L. , Ferreira Paulo H. , Ferreira Manuela L.
Published: June 2023

Background

Low back pain (LBP) is more likely to occur in people with a family history of this condition, highlighting the importance of accounting for familial factors when studying the individual risk of LBP. We conducted a study of opposite‐sex twin pairs investigating sex differences in LBP while accounting for (genetic and shared environmental) familial factors.

Methods

We applied a matched co‐twin control design to study 795 adult opposite‐sex pairs from Australia, Spain, and the United States (US). We used mixed‐effects logistic regression to assess the within‐pair association between female sex and lifetime prevalence of LBP in unadjusted and adjusted models for body‐mass‐index, and depression, as well as interactions between female sex and age (<median age vs. ≥median age) in this association.

Results

The mean age of the sample was 47.4 years (Standard Deviation = 16.5). The adjusted odds ratio (aOR) of the association between sex and LBP in the merged sample was 1.11 (95% Confidence Interval = 0.88–1.40), with 87.4% of the variance in the studied association explained by between‐site heterogeneity (Q test; p = 0.001). Females had 2.37 (95% CI: 1.48–3.78) higher odds of LBP compared to their male co‐twins in the Spanish sample (adjusted), but a sex association was not found in the Australian nor US samples.

Conclusions

We found no evidence of the association between sex and LBP in our merged sample. Between‐population differences (i.e. cultural background or health system characteristics) are likely to be major factors leading to variation in the sex association with LBP when familial factors are accounted for.

Significance

Our study of adult opposite‐sex twin pairs found no evidence of an association between female sex and lifetime prevalence of low back pain after controlling for familial factors in the merged sample from Australia, Spain and USA, contrary to findings from previous studies of unrelated individuals. Our findings indicate potentially relevant between‐country genetic, cultural and environmental differences which may need to be considered for optimal and individualized strategies for the prevention and management of low back pain across the lifespan.
Comprehensive molecular profile of primary cutaneous epithelioid rhabdomyosarcoma: A tumor genomically and molecularly related to malignant melanoma
Authors: Shafi Saba , Shah Manan , Jones Dan , Beane Joal D. , Oghumu Steve , Iwenofu O. Hans
Published: June 2023

The histogenesis of the rare primary cutaneous epithelioid rhabdomyosarcoma (PCERMS) remains unclear, with the morphological and immunophenotypic appearance of a rhabdomyosarcoma but a genomic profile consistent with sarcomatoid undifferentiated malignant melanoma (SUMM). Here, we provide comprehensive clinical, histopathological, and genomic analysis of a putative PCERMS presenting in an elderly patient. Histopathologic examination revealed an ulcerative tumefactive lesion with diffuse replacement of the dermis by sheets of malignant epithelioid cells with a rhabdoid appearance. By immunohistochemistry, the tumor cells were strongly and diffusely positive for desmin and myogenin. Comprehensive genomic analysis with a 542 gene DNA‐based sequencing panel revealed likely biallelic NF1 inactivation (mutation and deletion), TERT promoter mutation, and a high tumor mutation burden (>100 mutations/mB) with features of a UV‐mutational signature, which are all genomic features that can be seen in undifferentiated malignant melanoma. This case provides evidence of a close relationship at a molecular level between PCERMS and SUMM. Molecular genomic characterization of a larger cohort of PCERMS is warranted for further elucidation.
Implementation of a multi‐organizational PGY2 educational pharmacy residency coalition
Authors: Musselman Megan E. , Hughes Abigail , Bitner Brooke , Lowe Thanh‐Nhi , Stun Lucy , Brown Arlyn , Carson Laura , Shemanski Shelby , Fuller Shelbie , Gilbert Brian W.
Published: June 2023

Background

For postgraduate year two (PGY2) pharmacy residency programs, there are required topics in the American Society of Health‐System Pharmacists competency areas, goals, and objectives that are defined as either direct or non‐direct patient experiences. For critical care and emergency medicine pharmacy residencies, many of these topics overlap not only in subject matter but designation of direct or non‐direct patient experiences. In an attempt to introduce these topics at a higher level and with less redundancy per residency program, the PGY2 Educational Pharmacy Residency Coalition was developed.

Aims

Limited data evaluates the impact of a regional collaboration to provide PGY2 critical care and emergency medicine residents with topic discussions to meet residency graduation completion requirements. This coalition focused on pairing topics with institutions that have self‐reported designated excellence or high experience within a specific patient population subset, as well as determining the impact to the program and the residents.

Materials and Methods

A total of eight programs were identified for participation based on a geographic region. An initial questionnaire was sent to the programs to determine which patient populations they identified as having strong exposure versus which they had limited. Based on these results, topics were distributed as live presentations amongst the collaborative. A baseline, interim, and final assessment survey was sent to evaluate foundational knowledge and disease state management of each topic area.

Results

Both residency program directors/preceptors and residents reported an increase in foundational knowledge and disease state management for all presentations that were conducted through the coalition. Residency program director/preceptor respondents (n = 12) reported that 100% of the topics provided were sufficient to meet expectations for the completion of a non‐direct patient care topic for the PGY2 resident.

Concluison

This article discusses the successful implementation, structure, goals, and outcomes of a PGY2 Educational Pharmacy Residency Coalition. It includes the strategies used for the development of topic areas and discusses the growth of the program to include residents, preceptors, and program directors. Learning from this collborative will help other programs adopt a similar program, avoid pitfalls, and apply lessons learned to their own program.
The E/e′ ratio on echocardiography as an independent predictor of the improvement of left ventricular contraction in patients with heart failure with reduced ejection fraction
Authors: Yoshimura Ryutaro , Hayashi Ou , Horio Takeshi , Fujiwara Ryosuke , Matsuoka Yujiro , Yokouchi Go , Sakamoto Yuya , Matsumoto Naoki , Fukuda Kohei , Shimizu Masahiro , Izumiya Yasuhiro , Yoshiyama Minoru , Fukuda Daiju , Fujimoto Kohei , Kasayuki Noriaki
Published: June 2023

Objective

Clinical feature of heart failure with improved ejection fraction (HFimpEF) remains to be fully elucidated. The present study investigated the association of clinical and echocardiographic parameters with the subsequent improvement of left ventricular ejection fraction (LVEF) in heart failure with reduced ejection fraction (HFrEF).

Methods

From outpatients with a history of hospitalized for heart failure, 128 subjects diagnosed as HFrEF (LVEF <40%) on heart failure hospitalization were enrolled and longitudinally surveyed. During follow‐up periods more than 1 year, 58 and 42 patients were identified as HFimpEF (improved LVEF to ≥40% and its increase of ≥10 points) and persistent HFrEF, respectively.

Results

There was no difference in age or sex between the two groups with HFimpEF and persistent HFrEF. The rate of ischemic heart disease was lower and that of tachyarrhythmia was higher in the HFimpEF group than in the persistent HFrEF group. At baseline (i.e., on heart failure hospitalization), LVEF did not differ between the two groups, but left ventricular systolic and diastolic diameters were already smaller and the ratio of early diastolic transmitral velocity to early diastolic tissue velocity (E/e′) was lower in the HFimpEF group. A multiple logistic regression analysis revealed that lower baseline E/e′ was a significant determinant of HFimpEF, independently of confounding factors such as ischemic heart disease, tachyarrhythmia, and baseline left ventricular dimension.

Conclusion

Our findings indicate that the lower ratio of E/e′ in the acute phase of heart failure onset is an independent predictor of the subsequent improvement of LVEF in HFrEF patients.
Effect of nanopesticides (azoxystrobin and bifenthrin) on the phenolic content and metabolic profiles of strawberries (Fragaria × ananassa)
Authors: Wang Peiying , Gravel Valérie , Bueno Vinicius , Galhardi Juliana A. , Roginski Alexandra , Ghoshal Subhasis , Wilkinson Kevin J. , Bayen Stéphane
Published: June 2023

BACKGROUND

Nanoencapsulation has opened promising fields of innovation for pesticides. Conventional pesticides can cause side effects on plant metabolism. To date, the effect of nanoencapsulated pesticides on plant phenolic contents has not been reported.

RESULTS

In this study, a comparative evaluation of the phenolic contents and metabolic profiles of strawberries was performed for plants grown under controlled field conditions and treated with two separate active ingredients, azoxystrobin and bifenthrin, loaded into two different types of nanocarriers (Allosperse® polymeric nanoparticles and SiO2 nanoparticles). There were small but significant decreases of the total phenolic content (9%) and pelargonidin 3‐glucoside content (6%) in strawberries treated with the nanopesticides. An increase of 31% to 125% was observed in the levels of gallic acid, quercetin, and kaempferol in the strawberries treated with the nanoencapsulated pesticides compared with the conventional treatments. The effects of the nanocarriers on the metabolite and phenolic profiles was identified by principal component analysis.

CONCLUSION

Overall, even though the effects of nanopesticides on the phenological parameters of strawberry plants were not obvious, there were significant changes to the plants at a molecular level. In particular, nanocarriers had some subtle effects on plant health and fruit quality through variations in total and individual phenolics in the fruits. Further research will be needed to assess the impact of diverse nanopesticides on other groups of plant metabolites. © 2023 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Design and Synthesis of Novel Bio‐Based Polyester Elastomer with Tunable Oil Resistance
Authors: Tang Shuai , Li Jiao , Wang Zhao , Zhang Liqun
Published: June 2023

Polarity determines the oil resistance property of elastomers. In this work, three bio‐based polyester elastomers (BPEs) with different mass fraction of ester groups (E) are designed and synthesized aiming to study the relationship of E and oil resistance performance, and to obtain bio‐based elastomer materials with tunable oil resistance. Through adjusting the chain length of monomers, E of poly(ethylene glycol/1,3‐propanediol/succinate/adipate/itaconate)(PEPSAI), poly(1,3‐propanediol/1,4‐butanediol/succinate/adipate/itaconate)(PPBSAI), and poly(1,3‐propanediol/1,4‐butanediol/sebacate/adipate/itaconate)(PPBSeAI) are ≈50.39%, 48.55%, and 39.68%, respectively. Results show that E has great influence on the oil resistance of BPEs. After being immersed in IRM‐903# oil for 72 h at room temperature, the changes in mass and volume of BPEs decrease along with the increasing mass fraction of ester groups, indicating improved oil resistance performance. PEPSAI with the highest mass fraction of ester groups presents better oil resistance and lower Tg (better low‐temperature resistance) than one of the most used commercial oil‐resistant rubber nitrile rubber (N230S). Thus, this work provides a promising strategy to obtain bio‐based oil resistant elastomers with practical value.
Facile End‐Functionalization of Poly(Quinolylene‐2,3‐Methylene) Using the Terminal Palladium Complex: Thiocarbonylation through Formation of an Acyl Palladium Complex at the Polymer Terminal
Authors: Kanbayashi Naoya , Narukawa Manami , Onitsuka Kiyotaka
Published: June 2023

The end‐functionalization of poly(quinolylene‐2,3‐methylene)s (PQM) via thiocarbonylation is successfully achieved by forming an acyl palladium complex. The terminal palladium complex of the PQMs synthesized by living cyclocopolymerization of o‐allenylaryl isocyanide is quantitatively converted to a tractable acyl palladium complex through the carbon monoxide insertion into a palladium–carbon bond. The resulting acyl palladium complex exhibits high reactivity toward thiols, thereby enabling the introduction of various substituents at the ω‐chain end of PQM by selectively converting them to thioester groups. The one‐pot procedure enables the arbitrary control of both terminal structures of PQMs, including the synthesis of multi‐armed block copolymers and a triblock polymer. Additionally, the resulting thioester groups can serve as reactive sites and be converted into amide groups using amines. The new end‐functionalization method has the potential to be applied not only to the synthesis of PQM but also to other polymerization reactions using transition‐metal complexes, and can lead to a wide range of developments in polymer synthesis.
Lattice position optimization for LATTICE therapy
Authors: Zhang Weijie , Lin Yuting , Wang Fen , Badkul Rajeev , Chen Ronald C. , Gao Hao
Published: June 2023

Background

LATTICE radiation therapy delivers 3D heterogenous dose of high peak‐to‐valley dose ratio (PVDR) to the tumor target, with peak dose at lattice vertices inside the target and valley dose for the rest of the target. Although the lattice vertex positions can impact PVDR inside the target and sparing of organs‐at‐risk (OAR), they are fixed as constants and not optimized during treatment planning in current clinical practice.

Purpose

This work proposes a new LATTICE plan optimization method that can optimize lattice vertex positions during LATTICE treatment planning, which is the first lattice position optimization study to the best of our knowledge.

Methods

The new LATTICE treatment planning method optimizes lattice vertex positions as well as other plan variables (e.g., photon fluences or proton spot weights), with optimization objectives for target PVDR and OAR sparing. To satisfy mathematical differentiability, the lattice vertices are approximated in sigmoid functions. For geometric feasibility, proper geometry constraints are enforced onto lattice vertex positions. The lattice position optimization problem is solved by iterative convex relaxation (ICR) method and alternating direction method of multipliers (ADMM), and lattice vertex positions and photon/proton plan variables are jointly updated via the Quasi‐Newton method.

Results

Both photon and proton LATTICE RT were considered, and the optimal lattice vertex positions in terms of plan objectives were found by solving all possible combinations on given discrete positions via exhaustive searching based on standard IMRT/IMPT, which served as the ground truth for validating the new LATTICE method. The results show that the new method indeed provided the optimal lattice vertex positions with the smallest optimization objective, the largest target PVDR, and the best OAR sparing.

Conclusions

A new LATTICE treatment planning method is proposed and validated that can optimize lattice vertex positions as well as other photon or proton plan variables for improving target PVDR and OAR sparing.
MR‐zero meets RARE MRI: Joint optimization of refocusing flip angles and neural networks to minimize T2‐induced blurring in spin echo sequences
Authors: Dang Hoai Nam , Endres Jonathan , Weinmüller Simon , Glang Felix , Loktyushin Alexander , Scheffler Klaus , Doerfler Arnd , Schmidt Manuel , Maier Andreas , Zaiss Moritz
Published: June 2023

Purpose

An end‐to‐end differentiable 2D Bloch simulation is used to reduce T2 induced blurring in single‐shot turbo spin echo sequences, also called rapid imaging with refocused echoes (RARE) sequences, by using a joint optimization of refocusing flip angles and a convolutional neural network.

Methods

Simulation and optimization were performed in the MR‐zero framework. Variable flip angle train and DenseNet parameters were optimized jointly using the instantaneous transverse magnetization, available in our simulation, at a certain echo time, which serves as ideal blurring‐free target. Final optimized sequences were exported for in vivo measurements at a real system (3 T Siemens, PRISMA) using the Pulseq standard.

Results

The optimized RARE was able to successfully lower T2‐induced blurring for single‐shot RARE sequences in proton density‐weighted and T2‐weighted images. In addition to an increased sharpness, the neural network allowed correction of the contrast changes to match the theoretical transversal magnetization. The optimization found flip angle design strategies similar to existing literature, however, visual inspection of the images and evaluation of the respective point spread function demonstrated an improved performance.

Conclusions

This work demonstrates that when variable flip angles and a convolutional neural network are optimized jointly in an end‐to‐end approach, sequences with more efficient minimization of T2‐induced blurring can be found. This allows faster single‐ or multi‐shot RARE MRI with longer echo trains.
Threatening stimuli have differential effects on movement preparation and execution—A study on snake fear
Authors: Zsidó Andras N. , Inhof Orsolya , Kiss Botond L. , Bali Cintia , March David S.
Published: June 2023

How people experience nature influences their attitudes and actions towards it. Having had a negative encounter with an animal may facilitate avoidance and freezing responses which may encourage negative feelings towards it and the environment in which it is found. Animals associated with fear, such as snakes, are often the victims of hunting and killing, possibly in part due to an overperception of their inherent danger.

Past research has shown that fear affects approach–avoidance response at both the preparatory and executive stages of movement. However, the way one reacts to different threats may also depend on its proximity and how fearful one is of that specific threat.

We employed a mouse‐tracking paradigm where participants (N = 40) categorized pictures of threatening and non‐threatening animals (snakes and butterflies respectively). The picture could appear at the middle, top or bottom of the screen. Participants initiated the movement from the centre of the screen and the category labels appeared on the top of the screen. Participants therefore had to either move towards the picture on the top or move away from the picture (presented centrally or at the bottom). Participants were split into fearful and non‐fearful groups based on self‐report snake fear.

Non‐fearful participants were generally slower when a threat was present. But, in the fearful group, we found longer movement initiation times for central threats and shorter initiation times for off‐centre threats (compared to neutral targets). Fearful participants were also slower to initiate movement when moving away from the threat, but faster when moving towards it (compared to neutral targets). The slower start and execution may be due to the lack of active planning and/or may imply the presence of a passive temporary freezing response.

Strong negative emotions towards nature and animals serve as crucial factors both in animal phobias and anti‐animal behaviours (i.e. the purposeful decimation of certain species). Understanding the action dynamics of approach–avoid behaviours in response to threatening animals may help to inform both the prevention and treatment of phobias, and relatedly, the promotion of conservationist endeavours.

Read the free Plain Language Summary for this article on the Journal blog.
Highly thermally conductive polymer composite enhanced by constructing a dual thermal conductivity network
Authors: Wang Zhanyi , Wang Xuan , Zhang Zhonghua , Liang Liang , Zhao Zhihang , Shi Jiahao
Published: June 2023

Constructing interconnected thermally conductive networks in a polymer matrix is essential for efficient heat transport in thermally managed materials. Thermally conductive network structures typically have meager thermal resistance, and heat transfer into the material is rapidly exported along such networks. However, increasing the thermally conductive networks inside the polymer matrix is still challenging. This paper prepared high thermal conductivity composites with “primary‐secondary” thermal conductivity networks by combining two processes: constructing three‐dimensional thermally conductive skeletal networks and physically blending fillers, using epoxy resin as the matrix. The performance test results showed that the thermal conductivity of the composites reached 1.65 W/(m K) when the boron nitride (BN) content reached 33.5 wt%, which was 842.8% and 150% higher than that of pure epoxy (EP) and composites with randomly dispersed fillers. This highly efficient heat transfer behavior is mainly due to the synergistic effect of the two‐level thermally conductive network, which weakens the scattering effect of phonons to a great extent. Also, the dielectric properties of the composite material, especially the transport of carriers inside the material under strong electric fields, were discussed in this paper. This work provides ideas and methods for preparing electrical and electronic devices applied to high power density.
Validation of an algorithm to identify fractures among patients within the Veterans Health Administration
Authors: Horton Thomas G. , Richardson Tadarro L. , Hackstadt Amber J. , Halvorson Alese E. , Hung Adriana M. , Greevy Robert , Roumie Christianne L.
Published: June 2023

Objective

To validate an algorithm that identifies fractures using billing codes from the International Classification of Diseases Ninth Revision (ICD‐9) and Tenth Revision (ICD‐10) for inpatient, outpatient, and emergency department visits in a population of patients.

Methods

We identified and reviewed a random sample of 543 encounters for adults receiving care within a single Veterans Health Administration healthcare system and had a first fracture episode between 2010 and 2019. To determine if an encounter represented a true incident fracture, we performed chart abstraction and assessed the type of fracture and mechanism. We calculated the positive predictive value (PPV) for the overall algorithm and each component diagnosis code along with 95% confidence intervals. Inverse probabilities of selection sampling weights were used to reflect the underlying study population.

Results

The algorithm had an initial PPV of 73.5% (confidence interval [CI] 69.5, 77.1), with low performance when weighted to reflect the full population (PPV 66.3% [CI 58.8, 73.1]). The modified algorithm was restricted to diagnosis codes with PPVs > 50% and outpatient codes were restricted to the first outpatient position, with the exception of one high performing code. The resulting unweighted PPV improved to 90.1% (CI 86.2, 93.0) and weighted PPV of 91.3% (CI 86.8, 94.4). A confirmation sample demonstrated verified performance with PPV of 87.3% (76.0, 93.7). PPVs by location of care (inpatient, emergency department and outpatient) remained greater than 85% in the modified algorithm.

Conclusions

The modified algorithm, which included primary billing codes for inpatient, outpatient, and emergency department visits, demonstrated excellent PPV for identification of fractures among a cohort of patients within the Veterans Health Administration system.
Towards a better understanding of the relationships between pollinators, human well‐being, and medicine plants in the Great Lakes Region of Eastern North America
Authors: Gibson Shelby D. , Colla Sheila R.
Published: June 2023

Societal Impact Statement

A diversity of values is needed to maximize the effectiveness of conservation planning, including policies and programs. The results of the United Nations Biodiversity Conference (COP 15) in Montreal, Canada, highlight the importance of a shift towards recognizing multiple ways of knowing in ecology and conservation. This review aims to provide a baseline of what is known about culturally significant plants in the Great Lakes Region of Eastern North America. The results of this research provide insight into the ways in which ecology has been conducted in the past and the importance of changing the way ecology is conducted in the future.

Biocultural conservation theory allows for an examination of complex problems using systems thinking and conserving biological and cultural diversity together. In the Great Lakes Region of Eastern North America, wild medicine plants are an important part of what Anishinaabe people understand as Mini bimaadizi, or the good life, and of aki miijim, or traditional food systems. Given the various threats facing wild plant populations and continued global change, this review aims to investigate what is known about the pollination and breeding systems of culturally significant plants in the Great Lakes Region. The overall goal is to determine what proportion of these plants have had basic ecological studies done and the degree to which culturally significant plants in this region rely on insect pollination. A systematic review of the literature was conducted on breeding systems and pollination of culturally significant plants. Half of all the culturally significant plants included lacked specific information related to reproduction. Most plants that have been studied relied on outcrossing, and the most commonly reported pollinators were in the Apidae family. With the complex interactions between plants and pollinators and many insect pollinators experiencing population declines, it is important to determine the dependence of culturally significant plants on animal pollination. These findings will be relevant to conservation planning and policy in the future.
Semiochemicals from Trichosanthes anguina (Cucurbitaceae) plants influence behavior in Diaphania indica
Authors: Debnath Rahul , Bhattacharyya Bhramar , Koner Anamika , Barik Anandamay
Published: June 2023

Background

First to third instars of Diaphania indica (Saunders) (Lepidoptera: Crambidae) feed on the lower surface of leaves, while fourth and fifth instars gregariously consume leaves of Trichosanthes anguina L. After defoliating, the caterpillar also attacks flowers and fruits of the plant and finally, results in loss of crop yield. Therefore, behavioral responses of D. indica adults were investigated to volatiles from undamaged (UD), insect‐damaged (ID, plants after feeding by D. indica larvae) and jasmonic acid (JA) treated T. anguina plants.

Results

Females showed attraction to volatiles of UD and ID plants of three T. anguina cultivars [MNSR‐1 (MNS), Baruipur Long (BAR) and Polo No. 1 (POLO)] in Y‐tube olfactometer bioassays. Females did not show significant negative responses from volatiles of JA treated plants. Females were more attracted to volatiles of ID plants than UD plants. Females showed attraction to volatiles of UD or ID plants compared to JA treated plants. Females were attracted to certain synthetic blends resembling volatiles of insect‐damaged MNS, BAR and POLO plants in olfactometer bioassays. Females could not distinguish among these three certain synthetic blends in olfactometer bioassays. A synthetic blend of 3Z‐hexen‐1‐ol, α‐pinene, hexyl acetate, benzyl alcohol and 6Z‐nonenal at mole ratios of 1.47:1.20:1:1.82:1.21 was prepared at 20 mg/mL dichloromethane and 100 μL when used as lure in funnel traps resulted in the capture of the highest number of D. indica adults in field trails.

Conclusion

The earlier five‐component chemical lure could be used in traps in an integrated pest management program of the insect pest, D. indica. © 2023 Society of Chemical Industry.
Basis set customization for modeling noncovalent interactions
Authors: Alenaizan Asem
Published: June 2023

In this article, a simple approach is proposed to reduce the basis set requirement for computing accurate interaction energies for bimolecular noncovalent complexes. A distributed multipole expansion is used to estimate the importance of basis functions in a given atom. Moderate truncation of basis sets results in reduced computational cost without compromising the accuracy. The approach was found fruitful for wavefunction‐based methods and density functional theory approximation using the Dunning, Karlsruhe, and Jensen basis sets.
Spin‐tautomery of endohedral Y@C60 complex
Authors: Semenov Sergey G. , Bedrina Marina E. , Andreeva Tatiana A. , Titov Anatoly V.
Published: June 2023

New conception of spin‐tautomery was developed based on the results of quantum chemical investigation of the endohedral Y@C60 complex. The embedding energies of yttrium into the fullerene cavity, dipole moments, polarizabilities, and IR spectra in the doublet and quartet spin states were calculated by the density‐functional theory quantum chemical methods. The degeneracy degree of the state of the complex is retained upon doublet–quartet excitation, since a twofold increase in the number of electron spin projections is compensated by a twofold decrease in the number of equivalent potential energy minima. The non‐conservation of spin by an endohedral complex with a heavy atom makes it possible to interpret the interconversion of doublet and quartet states as a non‐degenerate spin‐tautomery.
Optimizing Sieving Effect for CO2 Capture from Humid Air Using an Adaptive Ultramicroporous Framework
Authors: Song Danhua , Jiang Feilong , Yuan Daqiang , Chen Qihui , Hong Maochun
Published: June 2023

Excessive CO2 in the air can not only lead to serious climate problems but also cause serious damage to humans in confined spaces. Here, a novel metal–organic framework (FJI‐H38) with adaptive ultramicropores and multiple active sites is prepared. It can sieve CO2 from air with the very high adsorption capacity/selectivity but the lowest adsorption enthalpy among the reported physical adsorbents. Such excellent adsorption performances can be retained even at high humidity. Mechanistic studies show that the polar ultramicropore is very suitable for molecular sieving of CO2 from N2, and the distinguishable adsorption sites for H2O and CO2 enable them to be co‐adsorbed. Notably, the adsorbed‐CO2‐driven pore shrinkage can further promote CO2 capture while the adsorbed‐H2O‐induced phase transitions in turn inhibit H2O adsorption. Moreover, FJI‐H38 has excellent stability and recyclability and can be synthesized on a large scale, making it a practical trace CO2 adsorbent. This will provide a new strategy for developing practical adsorbents for CO2 capture from the air.