bluuebunny/crossref_metadata_2025 huggingface dataset:
Nonsense‐mediated mRNA decay suppresses injury‐induced muscle regeneration via inhibiting MyoD transcriptional activity
Authors: Tan Yanjie , Zhang Jing , Jin Yi
Published: September 2023

Skeletal muscle regeneration is a crucial physiological process that occurs in response to injury or disease. As an important transcriptome surveillance system that regulates tissue development, the role of nonsense‐mediated mRNA decay (NMD) in muscle regeneration remains unclear. Here, we found that NMD inhibits myoblast differentiation by targeting the phosphoinositide‐3‐kinase regulatory subunit 5 gene, which leads to the suppression of the transcriptional activity of myogenic differentiation (MyoD), a key regulator of myoblast differentiation. This disruption of MyoD transcriptional activity subsequently affects the expression levels of myogenin and myosin heavy chain, crucial markers of myoblast differentiation. Additionally, through up‐frameshift protein 1 knockdown experiments, we observed that inhibiting NMD can accelerate muscle regeneration in vivo. These findings highlight the potential of NMD as a novel therapeutic target for the treatment of muscle‐related injuries and diseases.
Correlation of ultrasound features with Bcl‐2 protein expression in basal cell carcinomas (BCCs)
Authors: Luo Ping‐ping , Chen Yan‐xuan , Zhong Zhi‐rong , Feng Ming‐chu , Wang Jing , Liang Jian‐feng
Published: September 2023

Background

The expression of the Bcl‐2 protein is frequently observed in basal cell carcinomas (BCCs), making it a significant biological marker and potential therapeutic target. Skin ultrasonography offers a noninvasive means of obtaining anatomical information about cutaneous tumors.

Objectives

The purpose of this study was to investigate the correlation between ultrasound features and Bcl‐2 expression in BCCs, to provide a reference for developing pharmacological treatment plans.

Methods

According to the Bcl‐2 protein expression, 74 BCCs confirmed by surgical pathology were divided into high Bcl‐2 expression BCCs (HB‐BCCs) and low Bcl‐2 expression BCCs (LB‐BCCs). Preoperative lesion ultrasound features were analyzed retrospectively based on Liang's criteria, which included the following features: shape, surface, keratinization, base, infiltration level, internal echogenicity, distribution of hyperechoic spots, posterior echogenic changes, internal Doppler signal, and lesion size (maximum diameter and infiltration depth). The differences of two groups were compared using a chi‐square test or a paired t‐test.

Results

Based on ultrasound features, cystic areas were more frequent in LB‐BCCs (χ2 = 7.015, P = .008). Furthermore, LB‐BCCs exhibited greater infiltration depth than HB‐BCCs (4.86 ± 2.12 mm vs. 2.72 ± 1.40 mm, P = .000), had a higher propensity to infiltrate the subcutaneous tissue (χ2 = 12.422, P = .002), and displayed a more abundant internal Doppler signal within the lesions (χ2 = 24.696, P = .000). Conversely, maximum diameter of the lesions, shape, surface, keratinization, base, hyperechoic spots distribution, and posterior echogenic changes of the lesions did not differ significantly between the two groups.

Conclusions

Ultrasound features are correlated with Bcl‐2 protein expression level in BCCs. LB‐BCCs show greater infiltration depth, subcutaneous infiltration, more cystic changes and more abundant internal Doppler signal than HB‐BCCs, which may suggest a potential basis for drug selection in BCC chemotherapy.
Roles of thermal advection in setting the Southern Ocean warming pattern
Authors: Wei Yanzhou
Published: September 2023

The Southern Ocean is the major region of global ocean heat gain. Most of the heat gain is concentrated in the region of the Antarctic Circumpolar Current (ACC), but SST within the ACC only exhibits a slight increase. Ocean circulation plays a fundamental role in setting the pattern of temperature response to global warming. In this study, a 1/4° Southern Ocean eddy‐permitting model configured based on the Regional Ocean Modeling System is used to study the role of ocean in setting the warming pattern, by examining the response of ocean temperature and heat budget terms to a uniform air–sea heat flux (Qnet) increase. As Qnet increases by a constant value, the SST increases, but with a smaller value within the ACC region. Consequently, more heat flux in the ACC region is induced from the atmosphere to the ocean through thermal adjustment. Heat budget analyses suggest that the surface warming induced by vertical diffusion is largely offset by the cooling effect of heat advection, especially within the ACC region; however, in the subsurface, the effect of vertical diffusion becomes slight, and heat advection dominates the temperature change and induces warming in the ACC region. These results highlight the importance of heat advection in setting the temperature response pattern to air–sea heat flux increase: by transporting more heat from the surface to the deep ocean, the SST increase within the ACC region becomes smaller, and this induces more heat flux from the atmosphere to the ocean and thus makes the ACC region become a major region of heat gain.
Fabrication and stability of W/O/W emulsions stabilized by gum arabic and polyglycerol polyricinoleate
Authors: Niu Fuge , Zhao Mengdi , Tu Weiwei , Li Zhe , Gao Yi , Du Yixuan , Pan Weichun
Published: September 2023

BACKGROUND

In order to study the effect of adsorption of surfactant at the two interfacial layers on emulsion stability, the kinetically stable water‐in‐oil‐in‐water (W/O/W) emulsion carriers were prepared using polyglycerol polyricinoleate (PGPR) and gum arabic (GA) as emulsifiers. The relationship between the adsorption of the surfactant and the stability mechanism of the emulsions was elucidated.

RESULTS

When the contents of PGPR and GA were low, the interfaces between oil and the inner and outer water phases, respectively, could not be completely covered. However, when the concentration of PGPR was higher than 60 g kg−1, the excess PGPR was adsorbed on the interface between the oil phase and the outer water phase. When the concentration of GA reached 80 g kg−1, more GA was adsorbed to the oil‐in‐water interface. Moreover, the presence of PGPR on the interface could reduce the adsorption capacity of GA. Two types of kinetically stable emulsions were obtained by optimizing the interface composition (60 g kg−1 GA/80 g kg−1 PGPR and 60 g kg−1 PGPR/80 g kg−1 GA). The kinetically stable W/O/W emulsions prepared in this study were successfully used to encapsulate a hydrophilic vitamin (vitamin B12) with an encapsulation efficiency (EE) of 80% and release efficiency (RE) of 95%. The interfacial adsorption GA can accelerate the hydrolysis of fat.

CONCLUSION

Overall, this study provides a new strategy for the preparation of W/O/W emulsions, which might be beneficial for application in food, cosmetic, chemical, and pharmaceutical industries. © 2023 Society of Chemical Industry.
Ocrelizumab‐induced psoriasiform dermatitis: Case reports and review of the literature
Authors: Naranjo Guerrero Natalia , González Quesada Alicia , García Minarro Angela , Castro González Elena , Paredes Pérez Ana Begoña , Carretero Hernández Gregorio
Published: September 2023

Ocrelizumab (OCR) is a humanized anti‐CD20 monoclonal antibody approved for treating multiple sclerosis. We present three patients who developed psoriasiform dermatitis (PsD) during OCR treatment and a review of the cases published to date. We hereby report the first exclusive fingernail involvement. Most of the cases had a mild skin involvement and only one case required OCR discontinuation. No association with arthritis, personal or family history of psoriasis was found. Data compiled suggests that PsD tends to appear within the first year of treatment. There are few studies focusing on B‐lymphocytes in psoriasis and several hypotheses attempt to explain their role. The most widely accepted is the depletion of regulatory B‐lymphocytes with immunomodulatory function through interleukin‐10. However, the exact mechanism by which this occurs with OCR remains unclear and the presented case of anti‐CD20‐induced PsD highlights the importance of continuous monitoring of new treatments in terms of dermatological side effects and the induction of skin diseases, in particular psoriasis. There is also a need to inform the professional community about the possibility of psoriasis in patients with multiple sclerosis and the consequences of this condition.
Experimental research in knowledge management
Authors: Frissen Ilja , Evans M. Max
Published: September 2023

At the heart of any healthy field are explicit theories and concerted efforts to test these theories. In the traditional “textbook” conceptualization of science, the main avenue for developing and testing theory is experimental research, a tool that enables investigators to filter out the noise in order to draw logically valid inferences and conclusions. The objective of this paper is to begin a probe into the use of experimental research in knowledge management (KM). After sketching an image of the nature of experimental research and its advantages, the paper details the results of an analysis of experimental research in the KM literature. The top 20 KM journals were searched in Scopus and Web of Science for any mention of the term “experiment.” In total, 43 papers were identified based on their use of experimental methods and human participants. These studies were coded for purpose, research questions, hypotheses, operationalization of variables, sample parameters, and statistical analysis methods. There appeared to be little evidence for a dedicated and sustained use of experimental research methods. Virtually all studies relied heavily on self‐report questionnaires as the main data collection tool rather than direct behavioral measures. Potential implications are that KM journals may want to elicit and encourage more experimental research, and researchers interested in using experimental methods may want to forge multidisciplinary partnerships, for instance, with experimental psychologists. The implication for KM methodological pedagogy is to further promote and integrate experimental methods.
A balance among irrigation and fertilization regimes to reduce greenhouse gases emissions from saline and alkaline soils
Authors: Zhang Sheng , Zamanian Kazem , Raza Sajjad , Raheb Alireza , Feng Ying , Zhao Xiaoning
Published: September 2023

Agricultural practices of nitrogen and irrigation overuse bring lots of environmental problems, such as greenhouse gases (GHGs) emissions, soil, and water pollution. With the fast expansion of saline and alkaline agricultural soils in the Tarim River Basin, field practice must be very cautious facing water limitations and global warming. The GHGs were measured 1–2 times weekly and water and fertilizer use efficiency were evaluated under five treatments: (1) fallow (Control); (2) no N (kg N ha−1) and no irrigation (mm) (0N0W); (3) 200 and 355 (LNLW); (4) 230 and 475 (MNMW), and (5) 320 and 655 (HNHW) (traditional treatment) from 2018 to 2019 under maize in Aksu in the Tarim River Basin. The GHGs increased with fertilization and irrigation. The cumulative GHGs were 0.6–5.9 Mg CO2–C ha−1, 0.2–3.6 kg N2O–N ha−1, and increased significantly with biomass increase. The cumulative CH4 was −0.03 to −0.12 kg C ha−1. The MNMW resulted in the highest average water use efficiency (27 kg ha−1 mm−1), irrigation water use efficiency (32 kg ha−1 mm−1), and agronomic N use efficiency (44 kg kg−1), but the lowest greenhouse gas intensity (0.4 kg CO2‐eq ha−1 grain yield). The MNMW reduced the average of 10 mm water, 5 kg N ha−1 fertilizer, and 4 × 10−3 kg CO2‐eq ha−1 GHGI earning 1 t ha−1 maize compared to HNHW. The CO2 emission had a strong relationship with temperature (T) and soil moisture (W) (CO2 emission = (exp (a + bW + cW2)) Q10(T‐20)/10)) (R2 = 0.59–0.92). The lowest was in the LNLW treatment in 2019; the highest was in the HNHW in 2018). The emission of CO2 responding to fertilization was below the global trend, but that of N2O was above under maize in saline and alkaline soils (pH 7–9). In conclusion, MNMW was the best field management to mitigate GHGs with the highest water and fertilizer use efficiency under maize in saline and alkaline soils in Tarim River Basin, where had the higher N2O emission risk.
A narrative review on nutritional and health benefits of underutilized summer crop to address agriculture challenges: Moth bean (Vigna aconitifolia L.)
Authors: Rani Jyoti , Dhull Sanju Bala , Kinabo Joyce , Kidwai Mohd. Kashif , Sangwan Amit
Published: September 2023

A reasonable plant‐based protein supply needs to be found in order to fight protein undernourishment, especially in developing nations. One of the most prominent and underutilized members of the Fabaceae family, moth bean (Vigna aconitifolia L.), has outstanding nutritional and bioactive components. Moth bean is a tropical crop and has ability to grow well at arid and semiarid areas. In addition to vitamins, minerals, lipids, fatty acid, and carbohydrate, moth bean seeds also provide an abundant protein source. Furthermore, the antioxidant and phenolic content of moth bean seeds is also high. If consumed on a regular basis, moth bean legume possesses countless beneficial effect on health and immune system, including the ability to prevent obesity, diabetes, and cardiac diseases in humans. This review focuses on the uses, improved varieties, adaptive constrain, nutritional bioavailability, and health benefits of V. aconitifolia seeds.
Enzyodynamic therapy at nanoscale
Authors: Wang Zeyu , Song Xinran , Huang Hui , Chang Meiqi , Chen Yu
Published: September 2023

Artificial enzymes featuring the desirable catalytic activity built on nanomaterials are known as nanozymes. Compared with the natural counterparts, nanozymes have demonstrated distinct characteristics including cost‐effectiveness, ease of preparation, high stability, and excellent recycling efficiency. With the rapid innovation of nanoscience and technology, a growing number of nanozymes have been deeply applied in disease prevention, diagnosis, and treatment. In addition, a multimodal platform for effectively interacting with complicated biologic settings has also been achieved by the inherent nanomaterial and dynamic features of nanozymes, which goes beyond simply serving as an enzyme substitute. In this review, we systematically discuss and highlight the classification and catalytic mechanism of nanozymes, regulation of nanozyme activity as well as the research progresses of nanozyme‐enabled/augmented enzyodynamic therapy in treating cancer based on producing and eliminating reactive oxygen species, bacterial infection, inflammation, neurodegeneration, and radiation‐induced tissue damage. Furthermore, the current challenges and future development direction of nanozymes in enzyodynamic disease therapy have been outlined and outlooked. It is highly anticipated that this review will be of guiding significance for better understanding the physiochemical properties and biological effect of nanozymes and the corresponding emerging enzyodynamic disease therapeutics.
Segmentation of carotid artery vessel wall and diagnosis of carotid atherosclerosis on black blood magnetic resonance imaging with multi‐task learning
Authors: Wu Jiayi , Xin Jingmin , Yang Xiaofeng , Matkovic Luke A. , Zhao Xihai , Zheng Nanning , Li Rui
Published: September 2023

Background

Atherosclerotic cardiovascular disease is the leading cause of death worldwide. Early detection of carotid atherosclerosis can prevent the progression of cardiovascular disease. Many (semi‐) automatic methods have been designed for the segmentation of carotid vessel wall and the diagnosis of carotid atherosclerosis (i.e., the lumen segmentation, the outer wall segmentation, and the carotid atherosclerosis diagnosis) on black blood magnetic resonance imaging (BB‐MRI). However, most of these methods ignore the intrinsic correlation among different tasks on BB‐MRI, leading to limited performance.

Purpose

Thus, we model the intrinsic correlation among the lumen segmentation, the outer wall segmentation, and the carotid atherosclerosis diagnosis tasks on BB‐MRI by using the multi‐task learning technique and propose a gated multi‐task network (GMT‐Net) to perform three related tasks in a neural network (i.e., carotid artery lumen segmentation, outer wall segmentation, and carotid atherosclerosis diagnosis).

Methods

In the proposed method, the GMT‐Net is composed of three modules, including the sharing module, the segmentation module, and the diagnosis module, which interact with each other to achieve better learning performance. At the same time, two new adaptive layers, namely, the gated exchange layer and the gated fusion layer, are presented to exchange and merge branch features.

Results

The proposed method is applied to the CAREII dataset (i.e., 1057 scans) for the lumen segmentation, the outer wall segmentation, and the carotid atherosclerosis diagnosis. The proposed method can achieve promising segmentation performances (0.9677 Dice for the lumen and 0.9669 Dice for the outer wall) and better diagnosis accuracy of carotid atherosclerosis (0.9516 AUC and 0.9024 Accuracy) in the “CAREII test” dataset (i.e., 106 scans). The results show that the proposed method has statistically significant accuracy and efficiency.

Conclusions

Even without the intervention of reviewers required for the previous works, the proposed method automatically segments the lumen and outer wall together and diagnoses carotid atherosclerosis with high performance. The proposed method can be used in clinical trials to help radiologists get rid of tedious reading tasks, such as screening review to separate normal carotid arteries from atherosclerotic arteries and to outline vessel wall contours.
In‐Plane Sensing Opportunities in MicroLED Displays
Authors: Minixhofer Rainer , Drolet Jean‐Jacques
Published: September 2023

Multiple paradigm shifts in a system's architecture could dramatically change the requirements of display management and general sensing.
Implications of COVID‐19 in Airway and Swallowing Function
Authors: Linquest Lauren , Ackerman Kayla , Dewan Karuna
Published: September 2023

Objective

The acute treatment and complications of the novel COVID‐19 virus have been well studied, but the implications of this novel virus for swallowing function continue to be investigated. The goal of this study is to retrospectively assess airway and swallowing outcomes for those patients who required intensive care unit(ICU)‐level care for COVID‐19 infection.

Study Design

Comparison of swallowing outcomes through diet change in COVID‐19 patients in the Ochsner‐Louisiana State University (LSU) Hospital ICU.

Setting

Ochsner‐LSU Hospital (Shreveport, Louisiana).

Methods

A retrospective chart review was performed from March 2020 to May 2022 to identify patients with a primary diagnosis of COVID‐19. Variables analyzed include age, gender, length of intubation, length of ventilation, airway interventions, use of extracorporeal membrane oxygenation, and diet prior to, during, and after hospitalization for COVID‐19 infection.

Results

Two hundred and seven patients fit the inclusion criteria. There was a significant difference in discharge diet between those patients who were intubated and those who were not (P = .007). Thirty percent of patients were discharged on a different diet than their baseline with patients on a nonregular diet significantly more likely to discharge to a facility (P = .043). Negative vaccine status was associated with prolonged ICU stay, prolonged duration of intubation, and prolonged duration of ventilation.

Conclusion

COVID‐19 continues to present novel challenges with new implications and outcomes being discovered in the third year of the pandemic. Further research is necessary to determine the most effective treatment approaches with respect to optimized speech and swallow outcomes.
A comprehensive review of the recent developments in thermoplastics and rubber blends‐based composites and nanocomposites
Authors: Urtekin Gizem , Ullah Muhammad Saeed , Yildirim Rumeysa , Ozkoc Guralp , Kodal Mehmet
Published: September 2023

Various blends and composites have been prepared during the past decade to address limitations, including the poor mechanical properties of polymers, or to balance out the high cost of synthetic polymers. Rubber‐based thermoplastic blends and composites are being developed to attain improved performance and balanced qualities for usage in a variety of industries, including automotive, packaging, home products, space technology, and biomedical. Thermoplastics can be produced via standard manufacturing procedures and have outstanding qualities like low density, good chemical resistance, and heat resistance. However, rubbers are being used because of their elastic attributes, including their resilience, impact resistance, and good tear strength. These two materials work well together when blended or combined. In this article, an effort was made to narrow the gap between rubbers and thermoplastics. The mechanical, rheological, and morphological properties of the rubber/thermoplastic blends and composites/nanocomposites containing various types of conventional fillers and nanofillers were discussed comprehensively. Blends of these materials can provide too easier melt processing as well as financial benefits. The flexible nature and damping properties of rubber and better thermal stability and thermoplastic processability contributed to the development of high‐performance rubber/thermoplastic composites with better ductility, impact strength, and stiffness. Rubber reduced the high brittleness of thermoplastics because of its resilience and damping properties. In contrast, the poor processability and weak chemical resistance of rubbers were overcome via better processability and higher stiffness of thermoplastics. Rubber‐based thermoplastic composites and nanocomposites have been reported to offer greater flexibility, better processing, high impact strength, and chemical resistance.

Highlights

The properties of rubber/thermoplastic blends were discussed in this article.

More recent advancements in rubber/thermoplastic blends were evaluated.

Morphological properties depend on the rubber/thermoplastic blend ratio.

The addition of reinforcements affects the rheological properties.

Dispersion of additives and blend ratio influence the mechanical properties.
Effect of nanographene oxide and ionizing radiation on mechanical, physical, and thermal properties of composites based on high‐density polyethylene and waste bagasse fibers
Authors: Awad Eman H. , Abdel‐Hakim A. , Atta M. M. , El‐Nemr Khaled F.
Published: September 2023

The impact of graphene oxide (GO) nanoparticle content and exposure to electron beam (EB) on the tensile, dynamic mechanical, water uptake, and thermal properties of high‐density polyethylene/bagasse fibers composite was investigated. The GO was added at different loading levels: 0.25, 0.5, 0.75, and 1 parts per hundred parts of plastic (php), while 2 doses of EB were used (100 and 200 kGy). The influence of adding 10 php of carbon black (CB) to the HDPE/BF was also investigated. The addition of GO and irradiation up to 100 kGy, along with the inclusion of 10 php of CB, led to improvements in tensile strength, elastic modulus, storage modulus, and hardness. The composite containing 1 php of GO and exposed to 100 kGy, demonstrated the highest tensile strength value, with a 47.3% improvement compared with the unirradiated one. This composite also, exhibited the lowest values of water absorption percent (3.7%) and diffusion coefficient (0.007 mm2/h) compared with the unirradiated HDPE/BF composite. These results suggest that the resulting composite has potential for use in advanced industrial applications due to its improved physicomechanical properties.

Highlights

Composites based on high‐density polyethylene (HDPE) and bagasse fibers (BF) were fabricated

The incorporation of graphene oxide (GO) improved the mechanical properties.

GO and electron beam (EB) irradiation enhanced the water resistance of HDPE/BF composite.

Both GO and EB increased the thermal stability of HDPE/BF composite.
Photo‐stabilization mechanisms of High‐Density Polyethylene (HDPE) by a commercial few‐layer graphene
Authors: Karimi Samira , Helal Emna , Gutierrez Giovanna , Moghimian Nima , David Eric , Samara Mazen , Demarquette Nicole
Published: September 2023

This work studied few‐layer graphene (FLG) dominant action mechanisms as a photo‐stabilizer. High‐density polyethylene (HDPE) containing 0–0.5 wt% FLG were exposed to UVA radiation in a QUV chamber, according to ASTM G154 for different exposure times, ranging from 0 to 672 h. The chemical, rheological, and mechanical properties were tracked using attenuated total reflection‐Fourier transform infrared (ATR‐FTIR), rheological measurements, and tensile tests. The experimental results showed that the addition of only 0.25 wt% FLG fully stabilized 1‐ to 3‐mm thick HDPE for an exposure time of 672 h. Electron paramagnetic resonance (EPR) test was performed on the UV‐exposed mixture of hydrogen peroxide (H2O2) and the FLG aqueous suspensions (0, 0.2, 1, and 5 mg/mL), to study the FLG performance and mechanisms as a photo‐stabilizer. The results showed that FLG effectively decreased the characteristic EPR signal intensity due to both UV absorption/reflection and free radical scavenging. Fifty‐seven percent of the reduction was found to be due to UV absorption/reflection and 43% due to free radical scavenging. It is demonstrated that UV absorption/reflection and free radical scavenging are the dominant ones among the three FLG photo‐stabilizing mechanisms (UV absorption/reflection, free radical scavenging, and physical barrier to oxygen).

Highlights

FLG showed potential as a photo‐stabilizer for HDPE.

Addition of 0.25 wt% FLG fully stabilized HDPE for 672 h of UVA exposure.

FLG demonstrated UV absorption/reflection and free radical scavenging effects.
Hormonal and proteomic analyses of southern blight disease caused by Athelia rolfsii and root chitosan priming on Cannabis sativa in an in vitro hydroponic system
Authors: Suwanchaikasem Pipob , Nie Shuai , Selby‐Pham Jamie , Walker Robert , Boughton Berin A. , Idnurm Alexander
Published: September 2023

Southern blight disease, caused by the fungal pathogen Athelia rolfsii, suppresses plant growth and reduces product yield in Cannabis sativa agriculture. Mechanisms of pathology of this soil‐borne disease remain poorly understood, with disease management strategies reliant upon broad‐spectrum antifungal use. Exposure to chitosan, a natural elicitor, has been proposed as an alternative method to control diverse fungal diseases in an eco‐friendly manner. In this study, C. sativa plants were grown in the Root‐TRAPR system, a transparent hydroponic growth device, where plant roots were primed with .2% colloidal chitosan prior to A. rolfsii inoculation. Both chitosan‐primed and unprimed inoculated plants displayed classical symptoms of wilting and yellowish leaves, indicating successful infection. Non‐primed infected plants showed increased shoot defense responses with doubling of peroxidase and chitinase activities. The levels of growth and defense hormones including auxin, cytokinin, and jasmonic acid were increased 2–5‐fold. In chitosan‐primed infected plants, shoot peroxidase activity and phytohormone levels were decreased 1.5–4‐fold relative to the unprimed infected plants. When compared with shoots, roots were less impacted by A. rolfsii infection, but the pathogen secreted cell wall‐degrading enzymes into the root‐growth solution. Chitosan priming inhibited root growth, with root lengths of chitosan‐primed plants approximately 65% shorter than the control, but activated root defense responses, with root peroxidase activity increased 2.7‐fold along with increased secretion of defense proteins. The results suggest that chitosan could be an alternative platform to manage southern blight disease in C. sativa cultivation; however, further optimization is required to maximize effectiveness of chitosan.
HowDirty: An R package to evaluate molecular contaminants in LC‐MS experiments
Authors: Gomez‐Zepeda David , Michna Thomas , Ziesmann Tanja , Distler Ute , Tenzer Stefan
Published: September 2023

Contaminants derived from consumables, reagents, and sample handling often negatively affect LC‐MS data acquisition. In proteomics experiments, they can markedly reduce identification performance, reproducibility, and quantitative robustness. Here, we introduce a data analysis workflow combining MS1 feature extraction in Skyline with HowDirty, an R‐markdown‐based tool, that automatically generates an interactive report on the molecular contaminant level in LC‐MS data sets. To facilitate the interpretation of the results, the HTML report is self‐contained and self‐explanatory, including plots that can be easily interpreted. The R package HowDirty is available from https://github.com/DavidGZ1/HowDirty. To demonstrate a showcase scenario for the application of HowDirty, we assessed the impact of ultrafiltration units from different providers on sample purity after filter‐assisted sample preparation (FASP) digestion. This allowed us to select the filter units with the lowest contamination risk. Notably, the filter units with the lowest contaminant levels showed higher reproducibility regarding the number of peptides and proteins identified. Overall, HowDirty enables the efficient evaluation of sample quality covering a wide range of common contaminant groups that typically impair LC‐MS analyses, facilitating corrective or preventive actions to minimize instrument downtime.
Molecular dynamics simulation study of thermomechanical properties and hydrogen bonding structures of two‐component polyurethanes
Authors: Yeh In‐Chul , Hsieh Alex J.
Published: September 2023

We investigated the thermomechanical properties and hydrogen bonding (HB) structures of two‐component hexamethylenediisocyanate (HDI)‐poly(tetramethylene oxide) (PTMO) and 4,4′‐methylenediphenyldiisocyanate (MDI)‐PTMO polyurethanes with atomistic molecular dynamics simulations. We used different temperature‐scanning and sampling protocols to estimate the glass transition temperature (Tg) of these two polyurethanes. Our simulation results consistently predicted higher Tg values for MDI‐PTMO than those for HDI‐PTMO, in qualitative agreement with the same trend observed in experiments. We also studied two different types of HB interactions in these polyurethanes. At ambient temperature, more HB contacts between amide‐hydrogens and carbonyl‐oxygens of the carbamate groups along with longer lifetimes were noted in HDI‐PTMO than in MDI‐PTMO, while the latter revealed more HB contacts between amide‐hydrogens and ether‐oxygens of PTMO. MDI‐PTMO, encompassing more rigid chain structures, displayed higher stress values in stress–strain profiles from high strain‐rate tensile deformations at ambient temperature than HDI‐PTMO, which is consistent with a higher Tg value of MDI‐PTMO.
Larvicidal activity of the photosensitive insecticides, methylene blue and rose bengal, in Aedes aegypti and Anopheles gambiae mosquitoes
Authors: Meier Cole J. , Hillyer Julián F.
Published: September 2023

BACKGROUND

Insecticides are critical for controlling mosquito populations and mitigating the spread of vector‐borne disease, but their overuse has selected for resistant populations. A promising alternative to classical chemical insecticides is photosensitive molecules – here called photosensitive insecticides or PSIs – that when ingested and activated by light, generate broadly toxic reactive oxygen species. This mechanism of indiscriminate oxidative damage decreases the likelihood that target site modification‐based resistance evolves. Here, we tested whether the PSIs, methylene blue (MB) and rose bengal (RB), are viable insecticides across the mosquito lineage.

RESULTS

MB and RB are phototoxic to both Aedes aegypti and Anopheles gambiae at micromolar concentrations, with greatest toxicity when larvae are incubated in the dark with the PSIs for 2 h prior to photoactivation. MB is ten times more toxic than RB, and microscopy‐based imaging suggests that this is because ingested MB escapes the larval gut and disperses throughout the hemocoel whereas RB remains confined to the gut. Adding food to the PSI‐containing water has a bidirectional, concentration‐dependent effect on PSI toxicity; toxicity increases at high concentrations but decreases at low concentrations. Finally, adding sand to the water increases the phototoxicity of RB to Ae. aegypti.

CONCLUSION

MB and RB are larvicidal via a light activated mechanism, and therefore, should be further investigated as an option for mosquito control. © 2023 Society of Chemical Industry.
The Toothpick Project: commercialization of a virulence‐selected fungal bioherbicide for Striga hermonthica (witchweed) biocontrol in Kenya
Authors: Baker Claire S. , Sands David C. , Nzioki Henry Sila
Published: September 2023

The high‐level view of global food systems identifies three all‐encompassing barriers to the adoption of food systems solutions: knowledge, policy, and finance. These barriers, and the siloed characteristics of each of these, have hindered the development and adoption of microbial herbicides. How knowledge, policy, and finance are related to the Toothpick Project's path of commercializing a new bioherbicide, early in the scope of the industry, is discussed here. The Toothpick Project's innovation, developed over four decades and commercialized in 2021, uses strains of Fusarium oxysporum f.sp. strigae selected for overproduction and excretion of specific amino acids, killing the parasitic weed Striga hermonthica (Striga or witchweed), Africa's worst pest threat to food security. Historically, bioherbicides have not been a sufficient alternative to the dominant use of synthetic chemical herbicides. To be used safely as bioherbicides, plant pathogens need to be host specific, non‐toxic, and yet sufficiently virulent to control a specific weed. For commercialization, bioherbicides must be affordable and require a sufficient shelf life for distribution. Given the current triple storm encountered by the chemical herbicide industry (herbicide‐resistant weeds, lawsuits, and consumer pushback), there exists an opportunity to use certain plant pathogens as bioherbicides by enhancing their virulence. By discussing barriers in the scope of knowledge, policy, and finance in the development of the Toothpick Project's new microbial bioherbicide, we hope to help others to anticipate the challenges and provide change‐leaders, particularly in policy and finance, a ground level perspective of bioherbicide development. © 2023 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Sample size calculation in clinical trials with two co‐primary endpoints including overdispersed count and continuous outcomes
Authors: Homma Gosuke , Yoshida Takuma
Published: September 2023

Count outcomes are collected in clinical trials for new drug development in several therapeutic areas and the event rate is commonly used as a single primary endpoint. Count outcomes that are greater than the mean value are termed overdispersion; thus, count outcomes are assumed to have a negative binomial distribution. However, in clinical trials for treating asthma and chronic obstructive pulmonary disease (COPD), a regulatory agency has suggested that a continuous endpoint related to lung function must be evaluated as a primary endpoint in addition to the event rate. The two co‐primary endpoints that need to be evaluated include overdispersed count and continuous outcomes. Some researchers have proposed sample size calculation methods in the context of co‐primary endpoints for various outcome types. However, methodologies for sample size calculation in trials with two co‐primary endpoints, including overdispersed count and continuous outcomes, required when planning clinical trials for treating asthma and COPD, remain to be proposed. In this study, we aimed to develop a hypothesis‐testing method and a corresponding sample size calculation method with two co‐primary endpoints including overdispersed count and continuous outcomes. In a simulation, we demonstrated that the proposed sample size calculation method has adequate power accuracy. In addition, we illustrated an application of the proposed sample size calculation method to a placebo‐controlled Phase 3 trial for patients with COPD.
Molecular engineering of inorganic halide perovskites and HTMs for photovoltaic applications
Authors: Pakravesh Faezeh , Izadyar Mohammad
Published: September 2023

A comprehensive study was performed for the design of ABX3 perovskites, (A = Li, K, Na, B = Ge, Sn, Pb, X = F, Cl, Br, I) and organic hole transfer materials, HTMs (Fu‐2a, Fu‐2b, Fu‐2c, and Dm‐Q) for efficient perovskite solar cells (PSCs) through quantum chemistry calculations. Photovoltaic characteristics of the investigated perovskites are strongly affected by the halide anions. The results reveal that reducing the exciton binding energy of perovskites enhances the rate of the formation/dissociation of holes and electrons so F‐based perovskites are superior from this viewpoint. Additionally, the electron and hole injection processes are more favorable in the case of the F‐based perovskites in comparison with other studied perovskites. Moreover, spectroscopic properties of the perovskites demonstrate that KSnCl3, NaSnCl3, and F‐based perovskites exhibit a greater ability of the light‐harvesting and incident photon to current conversion efficiency. Ultimately, based on diverse analyses, F‐based perovskites, KSnCl3 and NaSnCl3 are the preferred candidates to be applied in the PSCs due to an excellent incident photon to current conversion efficiency, light‐harvesting efficiency, short circuit current, and solar cell final efficiency.
Spatial spillover effects of green technology innovation and renewable energy on ecological sustainability: New evidence and analysis
Authors: Radmehr Riza , Shayanmehr Samira , Baba Ernest Ali , Samour Ahmed , Adebayo Tomiwa Sunday
Published: September 2023

Rapid industrialization and modernization have drastically impaired ecological sustainability and increased ecological footprint (EFP). Despite the vital relevance of renewable energy (REC) and green technological innovation (GTI), in many facets of life, the part played by these factors and their spatial spillover effects in exploring ecological sustainability in EU countries has yet to be well studied. Thus, using a spatial panel econometric technique, this research investigates the direct and spillover effects of GTI and REC on ecological sustainability in 20 selected EU nations between 1995 and 2018. First, the empirical results affirm a positive spatial connection of EFP across nations, implying that employing spatial models can provide more trustworthy results than traditional econometric approaches. Second, both GTI and REC tend to significantly promote domestic ecological sustainability. Third, the environmental quality of EU countries benefit from the high GTI, REC, and human capital of their neighboring nations. Fourth, economic growth and financial globalization (FG) have a negative and significant effect on environmental quality. Other empirical analyses indicated that the indirect effect of FG on EFP is positive and significant. With a focus on the EU countries, this paper assists policymakers in developing a comprehensive strategy for enhancing ecological responsibility via renewable energy and green technology innovation.
Isofraxidin: Antioxidant, Anti‐carbonic Anhydrase, Anti‐cholinesterase, Anti‐diabetic, and in Silico Properties
Authors: Durmaz Lokman , Gulçin İlhami , Taslimi Parham , Tüzün Burak
Published: September 2023

The development of innovative pharmacological formulations for the treatment and prevention of various major diseases, including cancer, diabetes, and glaucoma, has been facilitated by some natural compounds. This study tested the inhibitory effects of isofraxidin on acetylcholinesterase, α‐glycosidase, and butyrylcholinesterase enzymes, as well as human carbonic anhydrase I and II (hCA I and II) isoenzymes. Esterase activity was used to gauge Isofraxidin's ability to inhibit CA (in vitro). For the isoenzymes hCA I and hCA II, the half maximal inhibitory concentration (IC50) values of isofraxidin were determined to be 67.61 and 52.42 nM, respectively. At the same manner, inhibition constant (Ki) values were determined as 12.58±0.50 and 4.41±0.35 nM, respectively. Then, IC50 value of compound for acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) were calculated as 18.50 and 10.75 nM, respectively. On the other hand, IC50 and Ki values of α‐glycosidase were determined as 55.16 and 56.81±2.30 nM, respectively. Additionally, the antioxidant properties of isofraxidin were investigated using techniques like 2,2′‐azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonic acid) (ABTS), 1,1‐Diphenyl‐2‐picrylhydrazyl (DPPH), N,N‐dimethyl‐ρ‐phenylenediamine (DMPD), cupric ions (Cu2+) reducing antioxidant capacity (CUPRAC), and iron reduction procedures. Following the graphing of the antioxidant results, IC50 values were determined. As a result, the natural phenolic molecule showed strong profiles of inhibition profile. We therefore think that these findings may pave the way for novel therapeutic development for the management of some major illnesses. Several plant‐based natural substances and extracts have gained attention in recent years as potential inhibitors of α‐glycosidase enzyme. The activities of Isofraxidin molecule with various enzyme proteins were compared. Finally, ADME/T analysis was performed to predict the movements of Isofraxidin molecules in human metabolism.
Development of Procaine Loaded Transdermal Patches Based on Biopolymer Pectin, Castor Oil, and Polyethylene Glycol for Controllable Drug Release Studies and Their Characterizations
Authors: Tavasli Aybuke , Kocaaga Banu , Guner F. Seniha
Published: September 2023

Transdermal drug delivery systems have considerable attention in clinical and point‐of‐care applications due to their superior advantages such as non‐invasive properties and keeping drug efficiency. To overcome the skin barrier, penetration enhancers are employed in the patch design. Chemical penetration enhancers are the most frequently applied way to improve drug diffusion through the barrier. Transdermal patches are designed as a drug‐loaded thin‐film hydrogel. Since the patch material must be biocompatible and eco‐friendly, in this study, pectin‐based transdermal patches are designed, and procaine, a painkiller drug is chosen as a model drug. Benzyl alcohol, polyethylene glycol, and castor oil are selected as chemical penetration enhancers. Drug diffusion experiments are carried out by using Franz diffusion cells at 37 °C. Fourier transform infrared spectroscopy (FTIR) and differential scanning calorimetry (DSC) are used to characterize the chemical structure and thermal properties of the patches. The patches are evaluated by the contact angle measurement and the swelling test in terms of their hydrophilicity and water uptake. Regarding in vitro drug release experiments by Franz diffusion cells, drug‐loaded patches were examined (CxPy‐PC; C‐castor oil, P‐PEG, x‐y amounts (mg)). It is found that the most promising results come from C10‐P5‐PC (12.7 mg drug/g film) and C30‐P5‐PC (11.4 mg drug/ g film) which can be attributed to the synergetic and optimum amount of polyethylene glycol and castor oil.
Metal Catalyst‐Free Oxidative Cleavage of Aryl C(OH)−C Bonds
Authors: Li Chi , Gao Yu , Li Han , Li Wenhao , Wang Xinmei , Wang Xuerong , Lin Chunguang , Wang Jinhui , Li Yiying , Xu Huanjun
Published: September 2023

A simple and efficient protocol for oxidative cleavage of aryl C(OH)−C bonds to acids was reported. In this protocol, KOtBu was found to be able to transform aryl alcohols and ketones to the desired benzoic acids without any other additives using 4 MPa O2 in mesitylene. Substrates with either electron‐donating or electron‐withdrawing groups could be transformed to the according benzoic acids in moderate to excellent yield. All these findings indicated that this oxidation of aryl secondary C(OH)−C bonds might proceed through a radical mechanism. And the represent lignin dimer model compound was successfully transformed to the benzoic acid, which indicated this protocol might has the potential to transform nature lignin.
Theoretical Study on the Rate Constant of Spin‐forbidden Reaction SO2+O(3P) (+M)→SO3 (+M)
Authors: Liu Ran , Shen Wenfeng
Published: September 2023

To improve the understanding of the oxidation of SO2 to SO3, the non‐adiabatic transition state theory (NA‐TST) coupling with the master equation (ME) method was adopted to study the kinetic characteristics of the spin‐forbidden recombination reaction SO2+O(3P) (+M)→SO3 (+M). By determining the minimum energy crossing point (MECP) of the triplet‐singlet potential energy surfaces, the high‐pressure limit (HPL), k∞=3.81×108 T0.998 e−1214/T cm3 mol−1 s−1 and the low‐pressure limit (LPL), k0=4.78×1036 T−6.38 e−4610/T cm6 mol−2 s−1 were obtained, respectively. The LPL rate constants were compared with the reported experimental data and good consistency was found. Besides, the hopping probability near the MECP was also determined. In addition, this work shows the potential application of NA‐TST/ME method to investigate the kinetics of similar spin‐forbidden reactions.
Porous Carbons Prepared from Polyacrylonitrile Doped with Graphitic Carbon Nitride or Melamine for Supercapacitor Applications
Authors: Fu Xuedong , Li Ruijie , Yan Shengguo , Yuan Weiyong , Zhang Yonggang , Sun Wei , Wang Xuefei
Published: September 2023

Melamine and graphitic carbon nitride (g‐C3N4) obtained by thermal condensation of melamine were doped in polyacrylonitrile (PAN) films. Nitrogen‐doped porous carbons were then prepared by pyrolysis of the composite films. Though all the porous carbons had a high nitrogen content of at least 10 %, g‐C3N4 was more efficient than melamine in nitrogen doping. The nitrogen content was elevated with the increase of the amount of each dopant, the highest value of 19.0 % was achieved by g‐3 (porous carbon obtained from the PAN/g‐C3N4 composite film with a mass ratio of 3). Amongst the nitrogen functionalities, pyridinic‐N and pyrrolic‐N held a percentage of at least 80 %. Compared with the carbon materials obtained from melamine doped PAN films, those from g‐C3N4 doped ones exhibited larger surface area and average pore size, and higher pore volume. The difference mainly resulted from the thermostability and size of the dopants. The g‐C3N4 doped materials thus presented more excellent electrochemical properties. The specific capacitance of g‐3 electrode was 135.3 F/g at a current density of 0.5 A/g. Rather than melamine, g‐C3N4 could improve the chemical composition and textural properties of the carbon materials, thus enhancing their supercapacitor performance.