bluuebunny/crossref_metadata_2025_split huggingface dataset:
Thermal stability and decomposition kinetics of polybenzoxazine and oligomeric polyhedral octaphenyl silsesquioxane nanocomposites
Authors: Faghihi Jalal , Azar Ahmad Aref , Khonakdar Hossein Ali , Tohidian Mahdi 
Published: June 2024

AbstractIn this study, the impact of octaphenyl polyhedral oligomeric silsesquioxane (POSS) on the thermal stability of polybenzoxazine resin at 1, 3, and 5 wt% POSS loading through dynamic thermogravimetric analysis (TGA) at heating rates of 10, 20, 30 and 40°C min−1 was investigated. Besides, the decomposition kinetics of polybenzoxazine resin (PBZ) and various nanocomposites were studied using Kissinger, Friedman, Flynn‐Wall‐Ozawa (FWO) and Coats‐Redfern (CR) models and also, the activation energies of samples were calculated. At first, benzoxazine monomer was synthesized and then nanocomposites were prepared via solution mixing method. The qualitative dispersion of nanoparticles in benzoxazine resin was examined through the utilization of scanning electron microscopy and x‐ray diffraction experiments. The results showed that the addition of nanoparticles improved the thermal stability of PBZ resin specially at 1 wt% POSS loading and at higher POSS content the thermal stability of the resin decreased. As determined by TGA, the char yield of resin was enhanced by 2.6% upon the addition of 1 wt% nanoparticles. In addition, in 1 weight percent of nanoparticles, as the heating rate rose from 10 to 40°C min−1, the Integral Program Decomposition Temperature (IPDT) has increased by about 260°C, and this increase is about 183°C compared to the resin, and also elevating the heating rate, Td (5%) and Td (10%) weight loss of samples shifted to higher temperatures. The degradation mechanism of the resin and nanocomposites was evaluated through Kissinger, Friedman, FWO and CR models. The results displayed that the addition of 1 wt% nanoparticles increased the activation energy (Ea) values of the nanocomposites compared to that of neat resin and above this filler content, the Ea values decreased. The findings derived from the FWO model indicated that the inclusion of a 1 wt% filler raised the Ea values of the first and second stages of PBZ resin decomposition from 136–200 and 151–214 kJ mol−1 to 148–210 and 180–228 kJ mol−1, respectively.
The effect of hypo‐sulfonamide accelerators on the induction period of rubber vulcanization based on experiments and molecular simulations
Authors: Liu Junying , Jiang Shuangyan , Wang Zifeng , Song Jianhui , Yong Zhanfu 
Published: June 2024

AbstractAccelerators are indispensable additives in rubber vulcanization reactions. Hypo‐sulfonamide accelerators are widely used due to their fast vulcanization speed. However, the short vulcanization induction period compromises the processing safety of rubber. In this paper, we incorporated experiments with molecular simulations to investigate the underlying reasons for the different effects of various hypo‐sulfonamide accelerators The vulcanization induction period of each accelerator was investigated according to the vulcanization curves. Furthermore, the corresponding reaction mechanism was explored from the molecular scale through quantum mechanical and molecular dynamics simulations. Subsequently, the research focus was discussed in depth. The compatibility relationship between the accelerators and the rubber materials was verified through the crosslinking density test, and a coincidence between the experimental and simulation results was found. This study guides the selection and improvement of hypo‐sulfonamide accelerators and corroborates the factors influencing the vulcanization induction period of natural rubber by accelerators.Highlights
Reactivity of accelerators calculated by quantum mechanical simulations.
Difference in solubility parameter characterizes accelerator/NR compatibility.
Mobility and diffusion coefficient reflect the diffusion ability of the promoter.
Molecular simulation results are consistent with experimental results.
Combined effects of strength and balance training versus aerobic training on balance, neuropathy symptoms and quality of life in patients with diabetic peripheral neuropathy
Authors: Haleem Farhan , Saeed Aruba , Kundi Maryam , Jalal Abdul , Bilal Muhammad , Jalal Muhammad 
Published: June 2024

AbstractBackgroundDiabetic peripheral neuropathy (DPN) occurs in >50% of diabetic patients and is a high risk‐factor of balance problems and risk of falls. Impaired balance can lead to reduced function, which has a detrimental effect on patients' quality of life. Structured strength and balance training can result in sustained improvements in muscle strength, coordination, balance, functional status and quality of life.ObjectiveTo determine the combined effects of strength and balance training versus aerobic training on balance, severity of symptoms of DPN, and quality of life in patients with DPN.MethodsThis double blinded, two arm parallel design Randomized Clinical Trial. The study was conducted from March to December 2020 in the AIMS diabetic center Peshawar, Pakistan. Participants were selected through convenience sampling technique and randomly allocated into strength plus balance and aerobic training groups. Type 2 diabetic patients of both sexes, aged 40 to 80 years, with a Toronto neuropathy score ≥6 recruited, while patients with ulceration/infection of feet, medical/Surgical conditions, and non‐ambulatory patients were excluded from this study. Intervention was applied 3 days a week for 8 weeks. The Toronto clinical neuropathy system was used to assess neuropathy severity, SF‐36 to assess quality of life and the Berg balance scale was used for assessment of balance. Assessment was done at the baseline and after 8 weeks of intervention using SPSS. Version 22 was used for analysis.ResultsThe mean age of the participants was 60.80 ± 9.73. Between group analysis, which showed were statistically insignificant for neuropathy severity, balance and all domains of quality of life (p‐value >0.05) except SF‐36 General Health Perception Score, with Mean ± SD of 62.50 ± 7.54 in group A versus Mean ± SD of in group B 60.00 ± 15.98 (p‐value = 0.05). Within group analysis showed statistically significant results for neuropathy severity, balance and all domains of quality of life (p‐value<0.05).ConclusionThis study concluded that there is a statistically significant effect of structured balance and strength training and aerobic training on severity of DPN, balance and quality of life. But there was no statistically significant difference in improvement between the two intervention groups.
Impacts of rainfall and rainfall anomalies on the population dynamics of rodents in southeast Asian rice fields
Authors: Htwe Nyo Me , Sudarmaji  , Pustika Arlyna Budi , Brown Peter R , Stuart Alexander , Duque Ulysses , Singleton Grant R , Jacob Jens 
Published: June 2024

AbstractBACKGROUNDThe mechanisms that regulate multi‐annual population dynamics of rodent pest species of cereal crops is often unknown. Better knowledge of such aspects can aid pest management and in turn improve food security and human health. The patterns and processes of the population dynamics of Rattus argentiventer, in rice fields of Indonesia, and Rattus tanezumi, in rice fields of the Philippines were assessed in this article.RESULTSThe meta‐analysis of trapping data over 20 years in Indonesia, and 16 years in the Philippines indicated that rodent populations in rice fields did not show a regular multi‐annual pattern. Rattus argentiventer populations in Indonesia responded to less rainfall from the current year. Rattus tanezumi populations in the Philippines responded positively to both rainfall and rainfall anomaly with a 1‐year time lag.CONCLUSIONSOur study of long‐term population data indicates that certain combinations of rainfall parameters could be useful to predict years when there is higher rodent abundance in rice fields. The key rodent pest species in rice fields in Indonesia (R. argentiventer) and the Philippines (R. tanezumi) differ, and the populations of each species respond differently to rainfall anomalies. Other factors such as crop cover and water availability may also be important and should be considered in future work. © 2024 The Author(s). Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Effects of different natural products in patients with non‐alcoholic fatty liver disease—A network meta‐analysis of randomized controlled trials
Authors: Liu Hongshuai , Li Yufei , Jin Yan , Li Xin , Wang Dongxian , Yu Xiaowen , Jiang Zhenyuan , Yin Guoliang , Chen Suwen , Zhang Xin , Meng Decheng , Yu Wenfei , Jiang Wenyin , Zhang Fengxia 
Published: June 2024

AbstractDue to a scarcity of appropriate therapeutic approaches capable of ameliorating or eliminating non‐alcoholic fatty liver disease (NAFLD), many researchers have come to focus on natural products based on traditional medicine that can be utilized to successfully treat NAFLD. In this study, we aimed to evaluate the effects exerted by seven natural products (curcumin, silymarin, resveratrol, artichoke leaf extract, berberine, catechins, and naringenin) on patients with NAFLD. For this purpose, PubMed, Embase, Cochrane Library, and Web of Science, were searched for randomized controlled trials (RCTs) exclusively. The selected studies were evaluated for methodological quality via the Cochrane bias risk assessment tool, and data analysis software was used to analyze the data accordingly. The RCTs from the earliest available date until September 2022 were collected. This process resulted in 37 RCTs with a total sample size of 2509 patients being included. The results of the network meta‐analysis showed that artichoke leaf extract confers a relative advantage in reducing the aspartate aminotransferase (AST) levels (SUCRA: 99.1%), alanine aminotransferase (ALT) levels (SUCRA: 88.2%) and low‐density lipoprotein cholesterol (LDL‐C) levels (SUCRA: 88.9%). Naringenin conferred an advantage in reducing triglyceride (TG) levels (SUCRA: 97.3%), total cholesterol (TC) levels (SUCRA: 73.9%), and improving high‐density lipoprotein cholesterol (HDL‐C) levels (SUCRA: 74.9%). High‐density catechins significantly reduced body mass index (BMI) levels (SUCRA: 98.5%) compared with the placebo. The Ranking Plot of the Network indicated that artichoke leaf extract and naringenin performed better than the other natural products in facilitating patient recovery. Therefore, we propose that artichoke leaf extract and naringenin may exert a better therapeutic effect on NAFLD. This study may help guide clinicians and lead to further detailed studies.
Development of a quantum cascade laser absorption spectrometer for simultaneous measurement of 13C–18O and 18O–18O clumping in CO2
Authors: Wieman Scott T. , Kapit Jason , Michel Anna P. M. , Guo Weifu 
Published: June 2024

RationaleDual clumped isotope paleothermometry determines carbonate formation temperatures by measuring the frequency of 13C–18O (∆638) and 18O–18O (∆828) pairs in carbonates. It resolves isotopic kinetic biases and thus enables more accurate paleotemperature reconstructions. However, high‐precision measurements of 18O–18O clumping using current techniques requires large sample sizes and long acquisition times.MethodsWe developed a mid‐infrared isotope ratio laser spectrometer (IRLS) for simultaneous measurement of the isotopologue ratios ∆638 and ∆828 in gas‐phase carbon dioxide (CO2) at room temperature. Our IRLS uses a single laser scanning from 2290.7 to 2291.1 cm−1 and a 31 m pathlength optical cell, and it simultaneously measures the five isotopologues required for calculating ∆638 and ∆828: 16O12C16O, 16O13C16O, 16O12C18O, 16O13C18O, and 18O12C18O. In addition, our IRLS can measure 16O12C17O, enabling ∆17O analysis.ResultsAt ~20°C and a CO2 pressure of ~2 Torr, our IRLS system achieved precisions of 0.128‰ and 0.140‰ within 20 s for abundances of the clumped isotopologues 16O13C18O and 18O12C18O, respectively, and precisions of 0.267‰, 0.245‰, and 0.128‰ for 16O12C16O, 16O13C16O, and 16O12C18O. This yielded precisions of 0.348‰ (∆638) and 0.302‰ (∆828) within 25 s. Simulated sample–reference switching highlights the potential of our system and the need for further development.ConclusionsWe demonstrated simultaneous measurements of ∆638 and ∆828 in CO2 to precisions of <0.35‰ within 25 s using a room‐temperature, single‐laser IRLS. Future developments on better resolving 16O12C16O and 16O13C16O peaks and system temperature control could further improve the measurement precision.
Data‐independent acquisition combined with liquid chromatography mass spectrometry technique to detect prognostic protein markers in type I gastric neuroendocrine neoplasm
Authors: Zhang Meng , Zheng Xiuli , Wang Chunyan , Li Shengmian 
Published: June 2024

RationaleThis study used proteomics‐based data‐independent acquisition (DIA) technology with the aim of screening for differential expression proteins in type I gastric neuroendocrine neoplasm (g‐NEN).MethodsDifferential expression proteins in type I g‐NEN and peritumoral tissues were screened using DIA with liquid chromatography/tandem mass spectrometry (DIA‐LC/MS/MS). The identified proteins were then functionally analysed using bioinformatics methods. We selected the three most highly expressed proteins, combined with patients' clinical data, for prognostic analysis.ResultsCompared with peritumoral tissues, 224 proteins were up‐regulated, and 70 were down‐regulated. The most significantly enriched biological processes and pathways were vacuolar proton‐transporting V‐type ATPase complex assembly and metabolism‐related pathways. PCSK1, FBXO2, ACSL1, IRS2, and PTPRZ1 expression was markedly up‐regulated in type I g‐NENs. High IRS2 expression significantly correlated with a shorter time to recurrence.ConclusionsOur study provides a comprehensive proteomic signature based on DIA‐LC/MS/MS and highlights high IRS2 expression as a potential prognostic marker for type I gNENs.
Dreaming of disability‐as‐possibility as a humanistic STEM education futurity
Authors: Boda Phillip A. 
Published: June 2024

AbstractI Dream with and through a positionality that lacks critical theorizing in Science, Technology, Engineering, and Mathematics (STEM) education research: Students labeled with disabilities; Disability beyond students’ accommodations. Understanding this marginalized population can push humanistic STEM scholarship to disrupt ableism by design, thereby honoring students’ voices, identities, and Dreams as knowledge‐building sources. Engaging purposefully along such a proactive centering of these margins pushes STEM researchers to think beyond past challenges and break away from the free‐market value commoditizations of education. I urge we Dream future possibilities of humanistic STEM education where researchers, teachers, and students are aligned to build new cultures of joy and feelings of relational belonging. In this way I seek to nurture the brilliance of students who are historically marginalized, including Disabled people, because of a desire to define their studenthood on their own terms. I argue that STEM education researchers working toward “what if” leveraging intersectionality as a way to critically theorize design can do more than change disciplinary practices: We can help students to Dream beyond “what is.”
Preparation of a Co3O4/Bi2MoO6 P‐N‐Type Heterojunction with Enhanced Photocatalytic Activity and Synergistic PMS Enrofloxacin Degradation
Authors: Li Pengpeng , Su Lei , Chen Juan , Li Shuo , Su Fu 
Published: June 2024

AbstractIn this work, Co3O4/Bi2MoO6 p‐n‐type heterojunctions were successfully fabricated via a hydrothermal method combined with in‐situ deposition. The as‐prepared samples were systematically characterized by means of SEM, TEM, XPS, XRD, etc. Through the synergistic effect of PMS (peroxosulfate monosalt), the obtained composite CB‐2 has a superior degradation performance of enrofloxacin under visible light irradiation, and the degradation rate of enrofloxacin reaches 87.84 % within 30 min. The reaction process of enrofloxacin degradation was analyzed by 3D EEM (exception emission matrix spectrum) and LC–MS (liquid phase mass spectrometry). The influence of the reaction system on EFA degradation efficiency without PMS synergy and light was studied. The kind of free radical was determined from the outcome of the EPR and free radical capture experiment. Benefiting from the construction of the p‐n heterojunction system and the activation of the PMS, the photogenerated carriers of the Co3O4/Bi2MoO6 composite can be fully separated and transferred to produce active species with higher oxidative properties. Based on this, the photocatalytic mechanism of Co3O4/Bi2MoO6/PMS was explored.
Preparation of Bi2O3@TiO2 Nanotube Arrays Composite Electrodes and the Detection Performance for 4‐Nitrophenol
Authors: Zhao Kai , Wang Xixin , Yang Mengyao , Liu Yuejiao , Zhao Jianling 
Published: June 2024

AbstractTiO2 nanotube arrays (TNTA) were prepared by anodization, and then bismuth oxide (Bi2O3) was deposited on TNTA by vacuum impregnation‐chemical precipitation method to prepare Bi2O3@TNTA composite electrodes, which were used to detect 4‐nitrophenol (4‐NP) as an electrochemical (EC) sensor. The effects of the Bi2O3 loading amount and the pH value of the detection solution on the detection performance were exhaustively studied. Under best conditions, the linear range is 5 μΜ–30 mM, the sensitivity is 0.6696 μA ⋅ μM−1 ⋅ cm−2, and the limit of detection is 0.64 μΜ. The composite electrodes are characterized by outstanding reproducibility, superior stability and strong selectivity.
Synthesis and Evaluation of 4′‐C‐(S) and 4′‐C‐(R)‐2‐Aminopropoxy−Thymidine‐Modified DNAs for Thermal Stability, RNase H Digestion, and Nuclease Resistance
Authors: Onishi Sakurako , Chandela Akash , Ueno Yoshihito 
Published: June 2024

AbstractAntisense oligonucleotides (ASOs) have been developed as potential therapeutic agents for genetic disorders and various life‐threatening conditions. This class of therapeutics facilitates the treatment of the currently undruggable targets. However, their low stability and poor activity must be overcome by developing new analogs with improved functions. Therefore, in this study, we synthesized 4′‐C‐(S)‐ and 4′‐C‐(R)‐2‐aminopropoxy−thymidine and investigated the stability of the modified oligonucleotides containing these analogs. Interestingly, both analogs responded differently to thermal denaturation, with the former exhibiting good stability closer to that of the unmodified oligonucleotide and the latter exhibiting slight thermal destabilization. Notably, DNA/RNA heteroduplexes modified with these analogs elicited RNase H activity by degrading the heteroduplexes upon treatment. In addition, the serum stability of the modified oligodeoxynucleotides was significantly enhanced by the introduction of these analogs. Overall, our findings highlight the potential application of these analogs as ASO therapeutic candidates.
Flavonoids from Mimosa tenuiflora Green Propolis: Chemotaxonomy, Antioxidant, Anti‐Inflammation, Anti‐Bacteria, Mosquito Larvicidal Activity, and In Silico Approach
Authors: Luyen Nguyen Dinh , Hao Nguyen Thanh , Bastos Jairo Kenupp , Ha Nguyen Xuan , Hung Nguyen Huy , Gioi Dong Huy , Linh Nguyen Ngoc , Son Ninh The 
Published: June 2024

AbstractPhytochemical study of green propolis alcohol extract of Brazilian Caatinga Mimosa tenuiflora (Willd.) Poir resulted in the separation of six flavonoids, including quercetin 3‐methyl ether (1) and 3,3′‐O‐dimethylquercetin (2), and four flavanones eriodictyol 5‐O‐methyl ether (3), 5,4′‐dihydroxy‐6,7‐dimethoxyflavanone (4), licoflavanone (5), and macarangaflavanone B (6). All these metabolites were first isolated from green propolis and the genus Mimosa. Metabolites 3–4 also established chemotaxonomic significance since they had never been observed in the bean family Fabaceae. Flavones 1–2 showed strong antioxidative activity against DPPH (1,1‐diphenyl‐2‐picryl hydrazyl) radicals with IC50 values of 12.40 and 16.23 μg/mL, respectively. All six isolates showed anti‐inflammatory effects against NO (nitric oxide) production in LPS (lipopolysaccharide)‐stimulated Raw 264.7 cells, in which the activity of flavone 1 was better than the standard dexamethasone (IC50 13.35 μg/mL). Flavonoids 1–3 also strongly controlled the growth of the Gram‐positive bacteria Bacillus subtilis ATCC 6051, and Staphylococcus aureus ATCC 29213 with MIC values of 32–64 μg/mL. Six isolated flavonoids exhibited strong or moderate mosquito larvicidal activity against Aedes aegypti and Ae. albopictus fourth instar larvae with the 24 h LC50 values of 29.62–55.89 μg/mL. By in silico approach, compound 1 was a non‐toxic agent with an LD50 value of 5000 mg/kg.
Design, Synthesis, in Vitro, and in Silico Evaluations of 1,3,4‐Oxadiazole Derivatives Linked to the Pyrrolo[2,3‐d]pyrimidine Moieties as Potent Antimicrobial Targets
Authors: Lal Patel Jeevan , Kumar Sureddy Naveen , Boddupalli Murali , Chedupaka Raju , Papisetti Venkatesham , S. P. Mahapatra , Penta Santhosh 
Published: June 2024

Abstract1,3,4‐Oxadiazole and its derivatives are well known assorted motif in drug design and development. The development of bacterial infection drug resistance serves as justification for the discovery of novel antimicrobial drugs. Thus, a novel series of 1,3,4‐oxadiazole derivatives linked to pyrrolo[2,3‐d]pyrimidine 6 a–f and 7 a–e was designed, synthesized and fully characterized by 1H‐NMR, 13C‐NMR, FT‐IR and mass spectroscopic analysis. All of the compounds′ in‐vitro antibacterial and antifungal activities were reported, and final oxadiazoles 6 d, 6 e, 6 f, and 7 e showed excellent antimicrobial inhibitory activity as compared to standard drugs. The compounds 6 f and 7 a exhibited potent antifungal activity as a potent inhibitor against C. albicans with MICs 4.0±0.03, 7.5±0.02 μg/mL respectively. In order to determine the different binding interactions that the most active oxadiazoles had with the Staphylococcus aureus DHFR enzyme, a docking study was conducted. The results indicated that the residues of amino acid Thr96(X), Leu62(X), Arg44(X), Asn18(X), Glu17(X), Lys45(X), Thr121(X), Gln95(X), Asp120(X), Ser64(X), Gly94(X), and Phe16(X) had promising energy value, within the range of −6.84 to −9.63 kcal/mol (PDB: 3FRA). The most effective inhibitors, 6 and 7, also underwent in silico ADMET tests to predict their pharmacokinetic and physicochemical characteristics.
Zn‐Phenanthroline‐Dicarboxylate Complex: A Dual Inhibitor of COX‐2 and 5‐LOX Enzymes
Authors: Rambabu Darsi , Sharma Shilpa , Mayank  , Singh Narinder , Shagun  , Pooja  
Published: June 2024

AbstractA series of new phenanthroline‐based metal complexes, coordination polymers are synthesized using 1,10‐phenanthroline 2,9‐dicarboxylate (PDA) and different metal salts including tin (R‐1 to R‐3), manganese (R‐4), ruthenium (R‐5), and zinc (R‐6) respectively. The inhibitory activities of synthesized coordination compounds are evaluated towards COX‐2 (cyclooxygenase‐2) and 5‐LOX (5‐lipoxygenase) enzymes. Among all the metal‐organic coordination complexes, Zn‐PDA (R‐6) shows most prominent inhibitory activity than other systems with the IC50 value of 0.0524 μg/mL and 0.834 μg/mL for both COX‐2 and 5‐LOX enzymes, respectively. The synthesized systems were also evaluated for their activity against COX‐1 and standard COX‐2 inhibitors viz. Rofecoxib and Aspirin. The rationale for R‐6 being the most potent metal complex for dual COX‐2 and 5‐LOX inhibition is demonstrated using docking studies.