bluuebunny/crossref_metadata_2025 huggingface dataset:
Manganese Carbodiimide (MnNCN): A New Heterogeneous Mn Catalyst for the Selective Synthesis of Nitriles from Alcohols
Authors: Liu Xixi , Han Bo , Wu Chongbei , Zhou Peng , Jia Meilin , Zhu Liangfang , Zhang Zehui
Published: September 2024

Earth‐abundant manganese oxides (MnOx) were competitive candidates when screening catalysts for ammoxidation of alcohols into nitriles due to their redox property. However, over‐oxidation and possible acid‐catalyzed hydrolysis of nitriles into amides still limited the application of MnOx in nitrile synthesis. In this work, manganese carbodiimide (MnNCN) was first reported to be robust for the ammoxidation of alcohols into nitriles, avoiding over‐oxidation and the hydrolysis. Besides the high activity and selectivity, MnNCN demonstrated wide substrate scope including the ammoxidation of primary alcohols into nitriles, the oxidative C−C bonds cleavage and ammoxidation of secondary alcohols, phenyl substituted aliphatic alcohols, and diols into nitriles. Controlled experiments and DFT calculation results revealed that the excellent catalytic performance of MnNCN originated from its high ability in the activation of O2 molecules, and favorable oxidative dehydrogenation of C=N bonds in the aldimine intermediates (RCH=NH) into nitriles, inhibiting the competitive side reaction of the oxidation of aldehydes into carboxylic acids, followed to amide byproducts. Moreover, the hydrolysis of nitriles was also inhibited over MnNCN for its weak acidity as compared with MnOx. This study provided new insights into Mn‐catalyzed aerobic oxidations as a highly important complement to manganese oxides.
Efficient activation of N and S co‐doped magnetic biochar for peroxomonosulfate degradation of tetracycline
Authors: Zhang Xi , Zheng Haoyuan , Xu Hong , Huang Jie , Mo Qianyuan , Sheng Guishang
Published: September 2024

N‐S co‐doped magnetic biochar (NSMBC) was synthesized by a two‐step pyrolysis technique and used for the degradation of tetracycline (TC) by activated persulfate (peroxomonosulfate [PMS]). Batch experiments showed that the pyrolysis temperature and doping ratio affected the catalytic performance of NSMBC. The degradation rate of TC in the NSMBC/PMS system prepared at 350°C with a doping ratio of 33% was up to 94.50%, and the system exhibited strong pH adaptability and resistance to environmental interference. The results of free radical burst and electron paramagnetic resonance (EPR) spectroscopy experiments indicated the free radical pathway (SO4•−) for TC degradation. In addition, NSMBC has good stability and excellent magnetic properties favorable for separation and recovery. This study not only provides a new idea for the synthesis of efficient and stable catalysts but also provides a green pathway for the resourceization of pomelo peel waste.
Evaluation of cell adhesion and inflammatory response of chitin and chitosan nanofibers patterned by inkjet printing
Authors: Katuragawa Tetsuya , Teramoto Yoshikuni
Published: September 2024

Chitin and chitosan nanofibers (ChNF and CtsNF) are promising biomaterials due to their biocompatibility, biodegradability, and non‐toxicity. This study investigates the cell adhesion properties and inflammatory responses of CtsNF, ChNF, and their mixtures when patterned on cellophane films using inkjet printing technology, keeping in mind their potential applications as cell culture scaffolds. The viscosities of 0.1 wt% aqueous dispersions of CtsNF, ChNF, and their mixtures were confirmed to be suitable for inkjet printing. Microstructures with varying thicknesses were fabricated by adjusting the printing parameters. Mouse fibroblast cells (L929) and mouse macrophages (RAW264.7) were used to evaluate cell adhesion and inflammatory responses. The results demonstrated that CtsNF microstructures exhibited excellent cell adhesion even for those as thin as ~140 nm and low inflammatory potential. This finding provides valuable insights into the development of advanced biomaterials for medical applications and could be instrumental in optimizing dosage settings for wound healing treatments as well.
Synthesis and Application of New Selanylfullerene Derivatives as Photosensitizers for Photodynamic Therapy
Authors: Soares Letiére C. , Vargas Josimar , Ravanello Bruno B. , Ilha Vinicius , Seus Natalia , Santos da Silva Rafael , Alves Diego , Dornelles Luciano , Villetti Marcos A. , da Rocha Vinicius N. , Piquini Paulo C. , Rodrigues Oscar E. D.
Published: September 2024

This study aims to describe the synthesis of a new class of selanylfullerene derivatives in a convergent strategy route, affording the desired products in a few steps and in good yields. C60 compounds were evaluated as photosensitizers to be used in photodynamic therapy (PDT) via the generation of singlet oxygen (1O2), using the chemical trapping method. The photooxidation of the chemical probe1,3‐diphenylisobenzofuran (DPBF) sensitized by selanylfullerenes followed a first‐order kinetic and the values of singlet oxygen quantum yields (ΦΔ) are appropriate for its use in PDT. The electronic absorption spectra, and the intersystem crossing tax rates for the most prominent synthesized compounds were calculated using the density functional theory and the Marcus electron transfer theory, with the theoretical results confirming the experimental findings.
Chemical characterization of heat‐treated kraft lignin after fractionation with organic solvents and pH effect
Authors: de Paula Hígor Brandão , Nunes Caio César Zandonadi , Demuner Iara Fontes , Carvalho Ana Márcia Macedo Ladeira
Published: September 2024

Lignin, the main source of renewable aromatics, has a complex structure, high polydispersity, and low reactivity, which hinders its large‐scale use. This study aims to improve lignin reactivity through heat treatment combined with fractionation by organic solvents or the pH effect. Heat treatment of commercial hardwood black liquor was performed at 225 °C for 150 min. The samples were then fractionated either by using organic solvents (ethyl acetate, ethanol, methanol, and acetone) or by lowering pH using hydrochloric acid (HCl) (pH values 1, 3, 5, 7, and 9). The fractionation was carried out in one step and in sequential mode. The fractionated samples were characterized chemically by the content of acid‐soluble and acid‐insoluble lignin, carbohydrates, ash, inorganic compounds (metals), elemental analysis, and by pyrolysis‐gas chromatography–mass spectrometry (Py‐GC–MS). The highest mass yields were obtained using the one‐step mode for both fractionations, with yields as high as 53.3% for organic solvents and 47.8% for the pH effect. Solvent fractionation reduced ash content by up to 75.4% and increased calorific value, carbon content, and total lignin content. Fractionation by pH effect showed an ash reduction of up to 55.9% and an increase in calorific value and carbon content of up to 8.7 MJ kg−1 and 49.7%, respectively. The Hansen solubility parameters were also calculated to address lignin's solubility in each of the tested solvents. These findings indicate that combining heat treatment and fractionation techniques improves lignin's chemical properties significantly, making it a more viable raw material for industrial use. This approach supports the circular economy by transforming lignin into a high‐value product, thereby promoting sustainable and efficient resource utilization across industries.
Grading exams using large language models: A comparison between human and AI grading of exams in higher education using ChatGPT
Authors: Flodén Jonas
Published: September 2024

This study compares how the generative AI (GenAI) large language model (LLM) ChatGPT performs in grading university exams compared to human teachers. Aspects investigated include consistency, large discrepancies and length of answer. Implications for higher education, including the role of teachers and ethics, are also discussed. Three Master's‐level exams were scored using ChatGPT 3.5, and the results were compared with the teachers' scoring and the grading teachers were interviewed. In total, 463 exam responses were graded. With each response being graded at least three times, a total of 1389 gradings were conducted. For the final exam scores, 70% of ChatGPT's gradings were within 10% of the teachers' gradings and 31% within 5%. ChatGPT tended to give marginally higher scores. The agreement on grades is 30%, but 45% of the exams received an adjacent grade. On individual questions, ChatGPT is more inclined to avoid very high or very low scores. ChatGPT struggles to correctly score questions closely related to the course lectures but performs better on more general questions. The AI can generate plausible scores on university exams that, at first glance, look similar to a human grader. There are differences but it is not unlikely that two different human graders could result in similar discrepancies. During the interviews, teachers expressed their surprise at how well ChatGPT's grading matched their own. Increased use of AI can lead to ethical challenges as exams are entrusted to a machine whose decision‐making criteria are not fully understood, especially concerning potential bias in training data.
The current and future cancer burden in the Gulf Cooperation Council (GCC) countries
Authors: Alessy Saleh A. , Alqahtani Saleh A. , Vignat Jerome , Abuhmaidan Amid , Basmi Amani E. L. , Al Lawati Najla , Ali A‐Nooh Ameera , Shelpai Wael , Alhomoud Samar , Al‐Zahrani Ali , Bray Freddie , Znaor Ariana
Published: September 2024

Background

Cancer is a leading cause of morbidity and mortality in the Gulf Cooperation Council (GCC) countries. This study aims to provide cancer incidence and mortality estimates in 2020 in the GCC countries alongside future projections for 2040 to shape cancer control policy in the region.

Methods

The estimated numbers of new cancer cases and deaths were extracted from the GLOBOCAN database developed by the International Agency for Research on Cancer; new cancer cases, cancer deaths, and corresponding age‐standardized incidence and mortality rates for the year 2020 are presented.

Results

An estimated 42,475 new cancer cases and 19,895 deaths occurred in the GCC countries in 2020, with corresponding age‐standardized incidence and mortality rates of 96.5 and 52.3 per 100,000, respectively. Female breast (16%), colorectal (13%), and thyroid (9%) were the most common types of cancer in the GCC countries, accounting for almost 40% of all cancer incidence. Colorectal (14%) followed by breast cancer (9%) were the leading causes of cancer death, though the magnitude of rates of the major cancer types varied substantially across the GCC countries. Even if we assume rates in the region will remain unchanged over the next two decades, the cancer burden in the GCC will increase by 116% (Saudi Arabia) to 270% (Qatar), reaching nearly 104,000 cancer cases by the year 2040.

Conclusion

The sharp increase in the estimated cancer incidence and mortality predicted over the next decades in the region requires workforce and financial planning for the healthcare systems in the constituent countries, alongside broader strengthening of national cancer prevention and control efforts.
Neoadjuvant everolimus in renal angiomyolipoma with or without tuberous sclerosis complex: Results from a multicenter, retrospective study
Authors: Su Ruopeng , Huang Tingxuan , Gu Liangyou , Bao Yige , Liu Zhihong , Dao Pinghong , Yao Lin , Hu Xiaoyi , Fu Guanghou , Wu Jitao , Tricard Thibault , Wu Guangyu , Chen Minfeng , Li Chancan , Huang Zhiyang , Zheng Bing , Chen Yonghui , Xue Wei , Guo Gang , Dong Pei , Huang Jiwei , Zhang Jin
Published: September 2024

Objectives

To assess the efficacy and safety of preoperative neoadjuvant everolimus in renal angiomyolipomas (AML) patients with or without Tuberous Sclerosis Complex (TSC).

Materials and Methods

This multi‐institutional retrospective study enrolled renal AML patients who underwent partial nephrectomy (PN) or total nephrectomy after receiving at least 1 month of pre‐operative everolimus. Imaging evaluations were collected before and after treatment, along with demographic, surgical, and follow‐up information. The primary outcome was tumor volume reduction of ≥25%, with additional outcomes including recurrence, perioperative outcomes, renal function, and safety.

Results

From January 2015 to July 2022, 68 renal AML patients were studied—41 with TSC and 27 without. During everolimus treatment, 61.0% (25/41) of TSC patients and 44.4% (12/27) of non‐TSC patients achieved tumor reduction of ≥25%. Additionally, 41.5% (17/41) of TSC patients and 18.5% (5/27) of non‐TSC patients achieved a ≥ 50% reduction. Three TSC patients and 1 non‐TSC patient discontinued treatment due to side‐effects. Most patients (92.7% TSC, 85.2% non‐TSC) underwent PN. After everolimus treatment, the necessary total nephrectomy decreased to 41.2% (7/17) from baseline. Postoperatively, 1 grade 3 and 3 grade 2 complications occurred, with no grade 4 or 5 complications. After a median follow‐up of 24 months, only 1 TSC patient recurred with a diameter >3 cm. Retrospective nature is the major limitation of this study.

Conclusion

Everolimus was effective and well‐tolerated in neoadjuvant treatment for renal AML, especially in TSC patients. This neoadjuvant combination strategy of everolimus and PN could effectively controls recurrence and preserves renal function.
The impact of margins and re‐resection in pediatric synovial sarcoma
Authors: Espinoza Andres F. , Shetty Priya B. , Jacobson Jillian C. , Todd Hannah , Harrell Kelley , Trappey Alfred F. , Doski John , Castro Eumenia C. , Montgomery Nicole I. , Okcu M. Fatih , Venkatramani Rajkumar , Chung Dai H. , Vasudevan Sanjeev A.
Published: September 2024

Introduction

Synovial sarcoma is one of the most common soft tissue sarcomas in children. Guidelines regarding the adequate extent of resection margins and the role of re‐resection are lacking. We sought to evaluate the adequate resection margin and the role of re‐resection in predicting outcomes in children with synovial sarcomas.

Methods

A cohort of 36 patients less than 18 years of age at diagnosis who were treated for localized synovial sarcoma at three tertiary pediatric hospitals between January 2004 and December 2020 were included in this study. Patient and tumor demographics, treatment information, and margin status after surgical resection were collected from the medical record. Clinical, treatment, and surgical characteristics, as well as outcomes including hazard ratios (HRs), event‐free survival (EFS), and overall survival (OS) were compared by resection margins group and re‐resection status.

Results

Patients in the R1 resection group were significantly more likely to relapse or die compared to patients in the R0 resection group. However, there was no significant difference in EFS (HR 0.52, p = 0.54) or OS (HR 1.56, p = 0.719) in R0 patients with less than 5 mm margins compared to R0 patients with more than 5 mm margins. Patients with R1 on initial or re‐resection had significantly worse OS than patients who had R0 resection on initial or re‐resection (HR = 10.12, p = 0.005).

Conclusion

This study re‐affirms that R0 resection is an independent prognostic predictor of better OS/EFS in pediatric synovial sarcoma. Second, our study extends this finding to report negative margins on initial resection or re‐resection is associated with better OS/EFS than positive margins on initial resection or re‐resection. Lastly, we found that there is no difference in outcomes associated with re‐resection or <5 mm margins for R0 patients, indicating that re‐resection and <5 mm margins are acceptable if microscopic disease is removed.
‘Bhim Kol (Musa Balbisiana)’ Wine: Chemical Profiling and Antidiabetic Properties with MD Simulation Insights
Authors: Phukan Anurag , Baruah Debasish , Koirala Suman , Kar Parimal , Boni Techi , Tamuly Chandan
Published: September 2024

Musa balbisiana (Bhim Kol), an exotic fruit that offers numerous benefits can be fermented to obtain a unique indigenous wine. This study explores the fermentation of Musa balbisiana (Bhim Kol) fruit to produce a unique indigenous wine using strain of Saccharomyces cerevisiae and sugar over a 21‐day period. Chemical profiling via GC‐MS analysis revealed the presence of major volatile compounds such as butan‐1‐ol, propanoic acid, 2‐phenylethanol, oxolane‐2,5‐dione etc. The wine exhibited in vitro α‐glucosidase inhibition activity with an IC50 value of 8.56±0.14 μg/mL and antioxidant properties (DPPH⋅ scavenging activity (AAR) of 1.29±0.18 mM TRE). Molecular docking and simulation studies indicated potential binding of volatile compounds like 4‐Hydroxy‐3‐methoxybenzoic acid, 2‐phenylethanol, butan‐1‐ol and butane‐2,3‐diol with α‐glucosidase enzyme. The study suggests the medicinal potential of the wine and its suitability for commercial production in the winery industry. Further studies are warranted to explore its full medicinal benefits.
Triptycene‐Based Tripodal Molecular Platforms
Authors: Bastien Guillaume , Severa Lukáš , Škuta Martin , Santos Hurtado Carina , Rybáček Jiří , Šolínová Veronika , Císařová Ivana , Kašička Václav , Kaleta Jiří
Published: September 2024

Molecular platforms are essential components of various surface‐mounted molecular devices. Here, we document the synthesis of two universal triptycene‐based tripodal pedestals featuring terminal alkynes in the axial position. We showcase their versatility by incorporating them into the structures of diverse functional molecules such as unidirectional light‐driven molecular motors, photoswitches, and Brownian molecular rotors using standard cross‐coupling reactions. We also present their fundamental physical properties, including acidity constants, data from differential scanning calorimetry, and crystallographic analysis of two parent and five derived structures. Finally, and importantly, we demonstrate that the photochemical properties of selected photoswitch representatives remain uncompromised when fused with tripods.
Computational Screening Two‐Dimensional Conjugated Microporous Polymer Applied in Perovskite Solar Cells
Authors: Yang Ruixia , Liu Di , Li Jiuyan
Published: September 2024

A two‐dimensional (2D) conjugated microporous polymer with a structure of 2D nanosheets has been synthesized. Theoretical calculations and experimental results reveal that the Fermi level of this 2D polymer aligns well with perovskite absorber, and its conduction band is high enough to block electron transport into the anode. This 2D polymer is used to modify the hole transport layer, significantly improving its photoelectric properties, including enhanced hole mobility, matched energy level, and reduced recombination. Furthermore, the 2D polymer exhibits a mesoporous structure, allowing perovskite to fill into its loose framework, increasing the hole export area and providing a large hole transport flux. As a result, the efficiency of inverted perovskite solar cells enhances to 24.64 % from 21.17 % of control device without 2D conjugated microporous polymer. Given that this material can be synthesized on a large scale, this work has significant implications for the future development of 2D polymers in perovskite solar cells, potentially accelerating industrialization.
Electrooxidative Ni‐Catalyzed Decarboxylation of Arylacetic Acids Towards the Synthesis of Carbonyls under Air Conditions
Authors: Fu Zhengjiang , Zeng Junhua , Xiong Cheng , Guo Shengmei , Cai Hu
Published: September 2024

After systematic realization of decarboxylative functionalization of carboxylic acids under heating conditions in our group, we herein reported an electrochemical method for Ni‐catalyzed decarboxylative oxygenation of arylacetic acids under open air conditions. The protocol provided corresponding carbonyls including aldehydes and ketones in moderate to satisfactory yields with good functional group tolerance, furthermore, the practicability and advantage of the method was highlighted through Ni‐catalyzed oxidative decarboxylation of carboxylic acid‐containing drugs and preformation of scalable transformation. Mechanistic studies demonstrated that the possible involvement of free radical intermediate in the conversion.
Design, Synthesis, and Applications of Bis‐Amido HPLC Pirkle‐Type Chiral Stationary Phases
Authors: Guarducci Maria Aurora , Manetto Simone , Pierini Marco , Mazzoccanti Giulia , Villani Claudio
Published: September 2024

Two different types of chiral stationary phases, based on Pirkle's design, were created by attaching chiral selectors to 3‐mercapto silica gel. To prepare the enantiomeric selectors, 3,5‐dinitrobenzoyl and naphthyl groups were sequentially added to a chiral 1,2‐diaminocyclohexane core. The chiral selectors demonstrated enantioselectivity towards ibuprofen enantiomers in solution, as confirmed by 1H NMR spectroscopy, and in initial HPLC testing, the enantiomeric selectors showed enantioselectivity for selected racemic solutes (viz., α = 1.27 for1,1′‐bi‐(2‐naphthol)). Molecular docking studies revealed that the chiral selectors had a bent structure and a cleft‐like cavity where the analyte could be held during complexation while establishing H‐bonding and π–π stacking interactions.
Non‐Noble Metal Catalysts for Electrooxidation of 5‐Hydroxymethylfurfural
Authors: Duan Yanfeng , Lu Xuebin , Fan Ouyang , Xu Haocheng , Zhang Zhengxiong , Si Chuanling , Xu Ting , Du Haishun , Li Xiaoyun
Published: September 2024

2,5‐Furandicarboxylic acid (FDCA) is a class of valuable biomass‐based platform compounds. The creation of FDCA involves the catalytic oxidation of 5‐hydroxymethylfurfural (HMF). As a novel catalytic method, electrocatalysis has been utilized in the 5‐hydroxymethylfurfural oxidation reaction (HMFOR). Common noble metal catalysts show catalytic activity, which is limited by price and reaction conditions. Non‐noble metal catalyst is known for its environmental friendliness, affordability and high efficiency. The development of energy efficient non‐noble metal catalysts plays a crucial role in enhancing the HMFOR process. It can greatly upgrade the demand of industrial production, and has important research significance for electrocatalytic oxidation of HMF. In this paper, the reaction mechanism of HMF undergoes electrocatalytic oxidation to produce FDCA are elaborately summarized. There are two reaction pathways and two oxidation mechanisms of HMFOR discussed deeply. In addition, the speculation on the response of the electrode potential to HMFOR is presented in this paper. The main non‐noble metal electrocatalysts currently used are classified and summarized by targeting metal element species. Finally, the paper focus on the mechanistic effects of non‐noble metal catalysts in the reaction, and provide the present prospects and challenges in the electrocatalytic oxidation reaction of HMF.
Case studies from 4 different colleges
Authors: D’Orio Wayne
Published: September 2024

Marketing is such a key part of college administration today that we wanted to present a snapshot of four specific programs from schools around the country. Read on to see what you can learn from a group of community colleges in San Antonio, a private liberal arts school in Georgia, a state university in Arkansas, and a public research college based in San Marcos, Texas.
Development of highly sensitive cuvette‐type localized surface plasmon resonance (LSPR) sensing chips for the rapid detection of tyramine in spiked samples of beef, mackerel, and cheese
Authors: Han Soobin , Kim Ji Hong , Gupta Vivek Kumar , Bae Ju Eun , Cho Chae Hwan , Kim Hanseung , Park Yonghyeon , Oh Mi‐Hwa , Park Jong Pil , Huh Yun Suk
Published: September 2024

The globalization of food distribution has made it necessary to ensure the delivery of fresh food to the consumers. Protein‐rich foods produce a significant amount of tyramine when spoiled. Therefore, it was envisaged to develop localized surface plasmon resonance (LSPR)—sensor for monitoring tyramine content in beef, mackerel, and cheese. For this purpose, the sensors were developed by coating the LSPR chip with gold nanoparticles (AuNPs) followed by conjugation of tyramine‐specific peptide (TYR1). The TYR1 was synthesized and screened by phage display and binding efficiency was evaluated by DockThor. The optimized LSPR sensor showed highest binding efficiency at TYR1 concentration of 20 µg/mL with reaction time of 40 min. The sensor also showed an excellent detection range for beef, mackerel, and cheese were 0.01–10 ppb, 0.01–10 ppm, and 0.01–10 ppb, respectively, in comparison to standard. These findings indicated that this sensor can be used as a promising tool for on‐site monitoring of food quality.
Lamiaceae plants improve serum cholesterol, triglyceride, and LDL in patients with metabolic syndrome: A systematic review and meta‐analysis of randomized clinical trials
Authors: Hassanpour Hossein , Mojtahed Marzieh , Fallah Aziz A. , Jafari Tina
Published: September 2024

The Lamiaceae plant family has a positive impact on metabolic diseases. This study meta‐analyzed the data of different clinical trial studies on the impacts of these plants on blood lipid biomarkers including cholesterol, triglyceride, high‐density lipoprotein (HDL), and low‐density lipoprotein (LDL). A comprehensive search was conducted using PubMed, Scopus, ISI Web of Science, ProQuest, Scientific Information Database, MagIran, and Google Scholar to identify relevant published research up to December 20, 2023. The meta‐analysis revealed that the Lamiaceae family significantly reduced cholesterol (p < .001), triglyceride (p = .003), and LDL (p < .001) levels. The rise in HDL levels was not significantly impacted (p = .069). Subgroup studies revealed that Lamiaceae plants improve all lipid parameters for a short duration (≤8 weeks) while in a longer duration (>8 weeks) only LDL level is improved in the blood (p < .05). In addition, Lamiaceae plants specifically decreased LDL and cholesterol levels in diabetic patients and only LDL levels in the individuals who were hyperlipidemic or overweight/obese. Within the Lamiaceae family, the genera Satureja and Coleus had the most significant effects in decreasing triglyceride and LDL/cholesterol levels, respectively. Origanum was the only genus within the Lamiaceae family that significantly improved three lipid parameters (cholesterol, LDL, and HDL). The meta‐analysis confirmed that Lamiaceae plants could improve the levels of lipid parameters (triglyceride, cholesterol, and LDL) in patients with metabolic syndrome.
Analysing Oil Prices Fluctuations, Carbon Emissions and Renewable Energy Trends in Uncovering the Eco‐Economic Interplay in China's Trade Liberalization
Authors: Ullah Irfan , Gatto Andrea , Radulescu Magdalena , Doğan Buhari , Nassani Abdelmohsen A. , Si Mohammed Kamel
Published: September 2024

This study evaluates the factors contributing to carbon emissions in China between 2002 and 2021, considering the impact of GDP growth, shocks in oil prices, trade liberalization and energy use. Using the dynamic simulated ARDL (SARDL) model, we indicate a long‐term link between trade liberalization, oil prices (WTI) shocks, GDP growth, energy use and CO2. The novel SARDL revealed a direct relationship between trade liberalization and CO2 in China in the long term. However, the results show a negative impact of WTI shocks on CO2 emissions. The study suggests that renewable energy (RE) significantly and negatively affects China's CO2 emissions. In addition, the findings conclude that, in the case of China, GDP has an insignificant long‐run relationship with CO2 emissions. The outcomes provide valuable insights for policymakers, researchers and industry stakeholders to enhance RE and promote sustainable energy practices.
Does use of anal cytology as a triage test improve the performance of high‐risk human papillomavirus screening in gay and bisexual men for anal cancer prevention?
Authors: Jin Fengyi , Poynten I. Mary , Hillman Richard J. , Law Carmella , Molano Monica , Fairley Christopher K. , Garland Suzanne M. , Templeton David J. , Grulich Andrew E. , Roberts Jennifer ,   the SPANC study team
Published: September 2024

Anal high‐risk human papillomavirus (HRHPV) testing‐based anal cancer screening gay and bisexual men (GBM) is associated with high sensitivity, but low specificity. We report the potential role of triage use of anal cytology with HRHPV testing in detecting 12‐month persistent anal high‐grade squamous epithelial lesions (HSIL) in a cohort of GBM in Sydney, Australia. Participants were GBM from the Study of the Prevention of Anal Cancer (SPANC) who underwent annual anal HPV testing, cytology, and high‐resolution anoscopy (HRA)‐guided histology. The sensitivity and specificity of five screening algorithms based on HRHPV test results with triage use of anal cytology (atypical squamous cells of undetermined significance (ASCUS) and atypical squamous cells, cannot exclude HSIL (ASC‐H) used as referral thresholds) were compared to these of HRHPV testing and anal cytology alone. A total of 475 men who had valid HRHPV, cytological, and histological results at both baseline and first annual follow‐up visits were included, median age 49 years (inter‐quartile range: 43–56) and 173 (36.4%) GBM with human immunodeficiency virus. Of all triage algorithms assessed, two had comparable sensitivity with HRHPV testing alone in detecting persistent anal HSIL, but ~20% higher specificity and 20% lower HRA referral rates. These two algorithms involved the immediate referral of those with HPV16 and for those with non‐16 HRHPV either immediate or delayed (for 12 months) referral, depending on cytology result at baseline. Triage use of anal cytology in GBM testing positive for anal HRHPV increases specificity and reduces referral rates while maintaining high sensitivity in detection of HSIL.
Asymptomatic pediatric presentation of S‐adenosylhomocysteine hydrolase deficiency
Authors: Lipari Pinto Patrícia , Dixon Marjorie , Sudhakar Sniya , Baric Ivo , Baruteau Julien
Published: September 2024

S‐adenosylhomocysteine hydrolase deficiency is an autosomal recessive inborn error of metabolism affecting methylation by disrupting the methionine cycle. Its clinical spectrum spans from severe perinatal encephalomyopathy and liver failure to asymptomatic course in patients with isolated hypermethioninemia. We present two new cases of S‐adenosylhomocysteine hydrolase deficiency from Pakistani origin clinically asymptomatic at presentation. Both siblings showed mild chronic liver failure and elevation of creatine kinase. The older patient presented at 6 years of age with isolated verbal processing difficulty and mild diffuse leukodystrophy, reversible 12 months after introduction of methionine dietary restriction. The patient showed subtle atrophy in the muscle MRI at the age of 7 years. S‐adenosylhomocysteine hydrolase deficiency was confirmed with homozygous missense variant c.146G>A (p.Arg49His) in the AHCY gene, a genotype previously reported in Pakistani patients with mild presentation. Dietary methionine restriction decreased plasma methionine but not plasma S‐adenosylhomocysteine and S‐adenosylmethionine. This work expands the mild spectrum of S‐adenosylhomocysteine hydrolase deficiency with no noticeable clinical symptoms in children, highlighting a specific hotspot variant from South Asia. This mild form of the disease is likely underdiagnosed and raises the question of therapeutic management to prevent long‐term complications documented in the literature, such as hepatocellular carcinoma and myopathy in early adulthood.
A Tale of Many Marine Stations: 150 Years of Marine Ecology in the Eastern English Channel
Authors: Seuront Laurent
Published: September 2024

Long before marine laboratories were commonplace, a few visionary scientists created the first of a growing number of biological field stations in the second half of the 19th century. This article tells the 150‐year tale of the rise and fall of six marine stations that belonged to three different universities and were sometimes operated simultaneously along a stretch of merely ten kilometers of the French coastline of the eastern English Channel. Specifically, I focus on the intellectual lineages, sense of brotherhood, rivalries, and even the indifference between individuals and institutions that shaped the local scientific landscape and paved the way for what became modern marine biology and ecology, and oceanography.
Viral Vector Eluting Lenses for Single‐Step Targeted Expression of Genetically‐Encoded Activity Sensors for in Vivo Microendoscopic Calcium Imaging
Authors: Jons Carolyn K. , Cheng David , Dong Changxin , Meany Emily L. , Nassi Jonathan J. , Appel Eric A.
Published: September 2024

Optical methods for studying the brain offer powerful approaches for understanding how neural activity underlies complex behavior. These methods typically rely on genetically encoded sensors and actuators to monitor and control neural activity. For microendoscopic calcium imaging, injection of a virus followed by implantation of a lens probe is required to express a calcium sensor and enable optical access to the target brain region. This two‐step process poses several challenges, chief among them being the risks associated with mistargeting and/or misalignment between virus expression zone, lens probe and target brain region. Here, an adeno‐associated virus (AAV)‐eluting polymer coating is engineered for gradient refractive index (GRIN) lenses enabling the expression of a genetically encoded calcium indicator (GCaMP) directly within the brain region of interest upon implantation of the lens. This approach requires only one surgical step and guarantees alignment between GCaMP expression and lens in the brain. Additionally, the slow virus release from these coatings increases the working time for surgical implantation, expanding the brain regions and species amenable to this approach. These enhanced capabilities should accelerate neuroscience research utilizing optical methods and advance the understanding of the neural circuit mechanisms underlying brain function and behavior in health and disease.
Biradical Initiation in Photoinitiated Copolymerization of Styrene and Maleic Anhydride
Authors: Smith Michael‐Phillip , Calitz Chané , Muza Upenyu L. , Lederer Albena , Esterhuysen Catharine , Klumperman Bert
Published: September 2024

Poly(styrene‐co‐maleic anhydride) (SMAnh) is a copolymer system that is well known for its alternating tendency, which has been thoroughly investigated by many research groups over the decades and is widely used in industry. Investigations have focused almost entirely on thermally initiated systems. However, very few investigations have been conducted on light‐initiated radical copolymerization. In this study, the photoinitiated copolymerization of styrene and maleic anhydride is investigated without the use of an external radical source, such as the classical 2,2‐azobis(2‐methylpropionitrile) (AIBN), benzoyl peroxide (BPO), or any photoinitiators. The initiation of the polymerization is instead found to take place through an excited state biradical generated in situ from a photoexcited charge‐transfer complex (CTC) comprising the donor (styrene) and acceptor (maleic anhydride) monomers. The formation of the complex is found to be solvent dependent. Excitation of the complex results in copolymerization of monomers to afford high‐molecular‐weight (>105 g·mol−1) alternating copolymers.
ICAT‐Mediated Crosstalk Between Cervical Cancer Cells and Macrophages Promotes M2‐Like Macrophage Polarization to Reinforce Tumor Malignant Behaviors
Authors: Liao Deyu , Yang Shiyu , Zhao Ling , Ren Wei , Liu Shiyan , Yu Huomei , Chen Yuanxiang , Yu Tao , Zeng Tao , Zhou Lan , Zhang Yan
Published: September 2024

Inhibitor of β‐catenin and T‐cell factor (ICAT) is a classical inhibitor of the Wnt signaling pathway. Nonetheless, our previous work found that ICAT is overexpressed in cervical cancer (CC), resulting in the augmentation of migration and invasion capabilities of CC cells. It remains unclear what molecular mechanism underlies this phenomenon. The interaction between cancer cells and the tumor microenvironment (TME) promotes the outgrowth and metastasis of tumors. Tumor‐associated macrophages (TAMs) are a major constituent of the TME and have a significant impact on the advancement of CC. Consequently, our inquiry pertains to the potential of ICAT to facilitate tumor development through its modulation of the cervical TME. In this study, we first verified that ICAT regulated the secretion of cytokines interleukin‐10 (IL‐10) and transforming growth factor‐β (TGF‐β) in CC cells, leading to M2‐like macrophage polarization and enhancement of the migration and invasion of CC cells. Furthermore, the system of co‐culturing human umbilical vein endothelial cells (HUVECs) with macrophages revealed that depending on the CC cells' overexpression or inhibition of ICAT, the vascular tube formation by HUVECs can be either increased or decreased. Overall, our study indicates that ICAT stimulates M2‐like polarization of TAMs via upregulating IL‐10 and TGF‐β, which results in increased neovascularization, tumor metastasis, and immunosuppression in CC. In upcoming times, inhibiting crosstalk between CC cells and TAMs may be a possible strategy for CC therapy.
AIM/NBO Analysis of the Geminal Coupling Constants in the Stabilization of A‐Type Dimeric Proanthocyanidin: Angular Dependence
Authors: Lobayan Rosana M. , Provasi Patricio F. , Pomilio Alicia B.
Published: September 2024

The angular dependence of the indirect short‐range spin‐spin coupling constants (SSCC), the geminal
,
, and
in A‐type dimeric proanthocyanidin, was investigated using density functional theory. We studied the rotation of ring B around the
bond. Therefore, we calculated hyperconjugative charge transfers and bond polarizations within the natural bond orbital (NBO) approach, performing a topological study based on Bader's theory, AIM (atoms in molecules), and analyzing the angular dependence of AIM/NBO parameters. The results describe a relationship between the geminal coupling that changes with angular variation and NBO charge transfers to the bonds involved in the coupling pathways that can explain the behavior of the former property. Based on AIM/NBO data, inductive and mesomeric effects were described and quantified, showing a clear correlation with the stabilization of the structure, demonstrating a resonance‐assisted inductive effect. We also set out strong hyperconjugative interactions (anomeric effect) involving nonbonding electron pairs of oxygen atoms. This analysis of coupling constants supports previous models by other authors and shows the application in this particular case. Moreover, the SSCCs studied herein are used for identifying stable structures and conformational search analysis of flavonoids. Finally, our results show the relationship between SSCCs and the structure stabilization and charge delocalization effects.
OLED Showcases Its True Colors, and Flexible Displays Gain Prominence
Authors: Fusella Michael A.
Published: September 2024

Innovative ideas for human interaction and a market tailwind make for an exciting future for OLED and flexible technologies.
Assessing factors related to Walleye stocking success in the Midwestern United States
Authors: Davis Robert P. , Isermann Daniel A.
Published: September 2024

Objective

The objective of this study was to evaluate stocking success of Walleye Sander vitreus in lakes and reservoirs across the Midwestern United States to inform stocking practices for state agencies. Demand for Walleye stocking may increase if climate change limits the potential for natural recruitment in lakes. Consequently, the strategic distribution of Walleye stocking may maximize fishing opportunities.

Methods

We synthesized data from 2226 Walleye fry and fingerling stocking events on 653 lakes in the Midwestern United States and used random forest algorithms and mixed-effects linear models to identify abiotic and biotic factors related to Walleye stocking success.

Result

Latitude and year explained relatively little variation in stocking success compared to within-lake variation. Relative abundance of Largemouth Bass Micropterus nigricans was an important indicator of Walleye stocking success for fry and fingerlings, with stocking success generally decreasing with increased bass abundance. There was an interaction between lake surface area and growing degree-days, as large lakes (>2500 ha) seemed to be more conducive to Walleye stocking success regardless of growing degree-days. The models that we developed did not accurately predict exact levels of Walleye stocking success but were 92–94% accurate in predicting whether the stocking success of both fry and fingerlings would be at or above the 50th percentile.

Conclusion

These findings may help to inform the management and stocking allocation of Walleye and suggest that future increases in Largemouth Bass abundance and growing degree-days could limit the effectiveness of stocking in some lakes.
An Analytical Insight Into Stability Analysis of Unsaturated Multi‐Layered Slopes Subjected to Rainfall Infiltration
Authors: Yuan Cheng , Qin Changbing , Yang Yueling , Sun Zhibin , Li Liang , Lei Xiaoqin , Chen Chian Siau
Published: September 2024

Slopes in nature usually present layered characteristics, and its stability is susceptible to rainfall events. Considering that current analytical solutions are only suited to simulate the rainfall infiltration of double‐layered infinite unsaturated slopes, an analytical procedure is hence proposed in this study to tackle the consideration of multiple layers. The variable separation method and transfer matrix method are combined to derive the analytical solution of pore water pressure (PWP) for simulating rainfall infiltration in layered infinite unsaturated slopes. After having validated the proposed model and analytical solutions by comparing with existing literature and numerical simulation, the closed‐form solution of PWP is incorporated into the limit equilibrium for assessing slope stability. A three‐layer slope is selected as an example for further discussion. PWP distribution and factor of safety are calculated, considering the effects of saturated hydraulic conductivity and thickness of the upper layer, intensity of antecedent and subsequent rainfall, and varied soil unit weight along the depth. The slope stability subjected to rainfall effects is consistent with the variation of PWP. The proposed analytical solutions provide a simple and practical avenue for computing PWP distribution and evaluating the stability of multi‐layered slopes under rainfall conditions, which can also serve as a benchmark for numerical solutions.
Coping With Interstitial Cystitis/Bladder Pain Syndrome
Authors: Sutherland Susanna , Grace Kelly A. , McKernan Lindsey C. , Dmochowski Roger R. , Reynolds William Stuart , Sebesta Elisabeth M.
Published: September 2024

Aims

Compensatory coping, or maladaptive alterations in behavior with the intention of preventing or managing symptoms, is increasingly being explored as a key factor in how people respond to bladder conditions. Preliminary investigations have identified relations between coping behaviors and psychological distress in urologic conditions, including interstitial cystitis/bladder pain syndrome (IC/BPS). However, previous explorations of coping have not accounted for heterogeneity in coping behaviors or addressed the likelihood that some coping behaviors may be more adaptive than others. This study sought to examine how two specific types of coping behaviors, primary control coping and disengaged coping, are related to distress and symptoms in IC/BPS, and to explore the potential role of pain phenotype in this relationship.

Materials and Methods

A secondary data analysis was conducted with a large community data set (N = 677 women with IC/BPS) and employed descriptive and inferential statistics to characterize coping patterns and explore novel predictors of distress.

Results

Results indicated that almost all participants engaged in at least one compensatory coping behavior within the last week. Both types of coping behaviors correlated with psychological symptoms, and when controlling for relevant clinical variables (i.e., age and severity of urinary symptoms), disengaged coping behaviors were significantly associated with psychological distress. Further, the addition of pain phenotype to multiple regression models resulted in a more effective predictive model when considering the relation between coping behaviors and depression.

Conclusions

By investigating more deeply the relationship between coping and distress, understanding of potential risk factors and mechanisms is increased, offering valuable insights for intervention strategies for IC/BPS patients.
Multiphysics modeling and simulation of monolayer flow and die swelling in industrial tube extrusion process
Authors: Rabhi Faleh , Barriere Thierry , Sahli Mohamed , Ramel David , de Larochelambert Thierry , Cousin Thibault
Published: September 2024

In a regular extrusion process for thermoplastic specimen, the material behavior in dies and its rheological properties have a major influence on the mechanical properties and the quality of the extruded product. This study outlines the multiphysical model, which has been adapted to address the specific issues associated with polyamide 12 polymer extrusion. A series of numerical simulations, based on the modeling of material behavior, have been conducted using the computational code Comsol Multiphysics®. These simulations have been applied to the study of polymer melt flows through an industrial extrusion die. The objective of this study is to analyze the influence of the imposed extrusion parameters on the physical field distribution and the material displacement within the die. The die swell at the exit of the extrusion die has been investigated as a function of the imposed pressure. The progression of the polymer flow front inside the extrusion tool and the swelling rates have been analyzed. In particular, the phenomenon of delayed swelling at high pressure has been highlighted at high pressure.

Highlights

Polymer swelling at industrial extrusion die exit is investigated.

Polymer melt extrusion within industrial extrusion tool is numerically simulated.

Flow front progression and extrudate swell are analyzed.

Effect of extrusion pressure on instabilities and die swell is highlighted.
Characterization of Exosomes Released from Mycobacterium abscessus‐Infected Macrophages
Authors: Vermeire Charlie A. , Tan Xuejuan , Ramos‐Leyva Aidaly , Wood Ava , Kotey Stephen K. , Hartson Steven D. , Liang Yurong , Liu Lin , Cheng Yong
Published: September 2024

Extracellular vesicles (EVs), such as exosomes, play a critical role in cell‐to‐cell communication and regulating cellular processes in recipient cells. Non‐tuberculous mycobacteria (NTM), such as Mycobacterium abscessus, are a group of environmental bacteria that can cause severe lung infections in populations with pre‐existing lung conditions, such as cystic fibrosis (CF) and chronic obstructive pulmonary disease (COPD). There is limited knowledge of the engagement of EVs in the host–pathogen interactions in the context of NTM infections. In this study, we found that M. abscessus infection increased the release of a subpopulation of exosomes (CD9, CD63, and/or CD81 positive) by mouse macrophages in cell culture. Proteomic analysis of these vesicles demonstrated that M. abscessus infection affects the enrichment of host proteins in exosomes released by macrophages. When compared to exosomes from uninfected macrophages, exosomes released by M. abscessus‐infected macrophages significantly improved M. abscessus growth and downregulated the intracellular level of glutamine in recipient macrophages in cell culture. Increasing glutamine concentration in the medium rescued intracellular glutamine levels and M. abscessus killing in recipient macrophages that were treated with exosomes from M. abscessus‐infected macrophages. Taken together, our results indicate that exosomes may serve as extracellular glutamine eliminators that interfere with glutamine‐dependent M. abscessus killing in recipient macrophages.