bluuebunny/crossref_metadata_2025 huggingface dataset:
Research progress on structure and catalytic mechanism of dextranase
Authors: Hu Xue‐Qin , Xia Bing‐Bing , Ru Wei‐Juan , Zhang Yu‐Xin , Yang Jing‐Wen , Zhang Hong‐Bin
Published: January 2023

Dextranase is an important industrial enzyme for the preparation of isomalto‐oligosaccharides. According to the crystal structures of 20 dextranases of four classes, we summarized the structural characteristics of enzymes and the binding modes of enzymes and ligands in this paper. Based on the characteristics of the products, we analyzed the characteristics of the binding domain and functions of dextranase by means of molecular simulation and molecular docking. The relationship between the product specificity of dextranase, its catalytic pocket shape, and its catalytic mode was briefly summarized. The catalytic mechanism of dextranase was systematically discussed, which provided the basis and reference for the rational transformation of dextranase.
Structure Effect on Pseudocapacitive Properties of A2LaMn2O7 (A = Ca, Sr)
Authors: Kananke-Gamage Chandana C. W. , Ramezanipour Farshid
Published: January 2023

Herein, the effect of structure on pseudocapacitive properties in alkaline conditions is demonstrated through the investigation of isoelectronic oxides Ca2LaMn2O7 and Sr2LaMn2O7, where the difference in ionic radii of Ca2+ and Sr2+ leads to a change in structure and lattice symmetry, resulting in an orthorhombic Cmcm structure for the former and a tetragonal I4/mmm structure for the latter. While calcium and strontium do not make a direct contribution to the near‐surface faradaic processes that are essential to the pseudocapacitive properties, their effect on the structure leads to a change in the oxygen intercalation process and the associated pseudocapacitive energy storage. It is shown that Sr2LaMn2O7 has a significantly greater specific capacitance than Ca2LaMn2O7. In addition, the former shows a considerably higher‐energy density compared to the latter. Furthermore, these materials show highly stable energy‐storage properties, and retain their specific capacitance over 10 000 cycles of charge–discharge in a symmetric pseudocapacitive cell. Importantly, these findings show the structure–property relationships, where a change in the structure and lattice symmetry can result in a significant change in pseudocapacitive charge–discharge properties in isoelectronic systems.
Integrating Mercury Concentrations in American Alligators (Alligator mississippiensis) with Hunter Consumption Surveys to Estimate Exposure Risk
Authors: Kojima Laura V. , Tuberville Tracey D. , Parrott Benjamin B.
Published: January 2023

Mercury is a naturally occurring element but is also considered a widespread contaminant due to global anthropogenic activity. Even in moderate amounts, mercury (Hg) is an established neurotoxin and is associated with a range of adverse outcomes both in humans and wildlife. Humans in the United States are most commonly exposed to Hg through contaminated food or drinking water, and the consumption of game species, particularly those occupying higher trophic levels, has the potential to expose hunters to high concentrations of Hg. In the present study, we determined Hg concentrations in tail muscle and blood from American alligators (Alligator mississippiensis) inhabiting a region (Savannah River Site, SC, USA) with known Hg contamination. We then integrated these data with alligator harvest records and previously published surveys of alligator meat consumption patterns to estimate potential exposure risk. We found that the average Hg concentrations in tail muscle (1.34 mg/kg, wet wt) from sampled alligators exceeded the recommended threshold for Hg exposure based on the World Health Organization's guidelines (0.5 mg/kg, wet wt). In addition, based on regional consumption patterns reported for both adults and children, we estimated Hg exposures (x¯Adult = 0.419 µg/kg/day, x¯Child = 2.24 µg/kg/day) occurring well above the US Environmental Protection Agency methylmercury reference dose of 0.1 μg/kg/day. Although the two reservoirs sampled in the present study are not currently open to alligator hunting, they are connected to waters that are publicly accessible, and the extent of alligator mobility across these sites is not known. Together, the findings reported in the present study further demonstrate the need for active monitoring of Hg concentrations in game species, which can convey substantial exposure risks to the public. Environ Toxicol Chem 2023;42:525–534. © 2023 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Environmental Risks of Microplastics on the Spatial and Temporal Gradient in a River Originating from the Western Himalayas
Authors: Hafeez Saba , Qadir Abdul , Aslam Mehmood , Aslam Hafiz Muhammad Umer , Rehmat Muhammad Salman , Ahmad Sajid Rashid
Published: January 2023

The presence of microplastics in different environmental matrices has raised many concerns about potential effects of microplastics on humans and freshwater ecosystems. In Pakistan, rivers potentially receive microplastics from anthropogenic activities in their catchments. However, research studies regarding microplastics' presence, distribution, and risks are scarce in Pakistan. To bridge the gap, the present study was conducted to evaluate microplastic pollution in the Chenab River. Surface water samples were collected from selected sites on the Chenab River using a manta trawl in the low-flow season during postmonsoon (October) 2019 and 2020 and in the high-flow season during monsoon (July) 2020 and 2021. Samples were digested, followed by density separation and filtration. Identification and polymer characterization of microplastics were completed using stereomicroscopy and attenuated total reflection Fourier transform infrared spectroscopy, respectively. Microplastics were found in all samples with significant spatiotemporal variation in microplastic concentration, with an average of 45.98 ± 10.45 microplastics/m3 in the low-flow season and 34.66 ± 16.15 microplastics/m3 in the high-flow season. Among microplastic shapes, fibers were the most dominant shape, whereas polyethylene terephthalate (38.2%) and polypropylene (19%) were the most abundant polymers. Polymer risk index analysis and pollution load index demonstrated that most of the sites ranked as safe. The potential ecological risks from single polymers and combined polymers showed minor risks posed by microplastics. The present study is the first step to focus on microplastic pollution in the Chenab River; it will help river managers to mitigate the microplastic pollution without compromising the ecological integrity of the river. Environ Toxicol Chem 2023;42:727–739. © 2023 SETAC
Dry and wet boundary treatment and improvement of a TVD‐MacCormack scheme in shallow water flow
Authors: Jiang Xiangang , Chen Pengshuai , Cheng Haiguang , Chen Xiaoqing , Chen Huayong , Zhu Zhanyuan , Zou Zuyin
Published: January 2023

To solve shallow water equation, this paper proposes a simple and easy‐to‐operate dry‐wet boundary treatment method based on the total variation diminishing (TVD)‐ MacCormack scheme. The method requires to judge dry and wet nodes before the calculation of prediction step and correction step, respectively. Then, the dry nodes are fictitiously celled and the topographic variables are reset. Moreover, previous researches show that when the same differential scheme was used, the left and right traveling waves showed over predicted computational fluxes during the downstream dry bed flow evolution, which led to distorted values and non‐real physical phenomena. To solve the problem, the difference scheme for prediction step and correction step is modified, and a new finite difference scheme improvement method is proposed. Finally, the numerical solutions are compared with the analytical solution results by five classical cases to verify the rationality of the proposed method in this paper.
ALA‐A2 Is a Novel Anticancer Peptide Inspired by Alpha‐Lactalbumin: A Discovery from a Computational Peptide Library, In Silico Anticancer Peptide Screening and In Vitro Experimental Validation
Authors: Lerksuthirat Tassanee , On‐yam Pasinee , Chitphuk Sermsiri , Stitchantrakul Wasana , Newburg David S. , Morrow Ardythe L. , Hongeng Suradej , Chiangjong Wararat , Chutipongtanate Somchai
Published: January 2023

Anticancer peptides (ACPs) are rising as a new strategy for cancer therapy. However, traditional laboratory screening to find and identify novel ACPs from hundreds to thousands of peptides is costly and time consuming. Here, a sequential procedure is applied to identify candidate ACPs from a computer‐generated peptide library inspired by alpha‐lactalbumin, a milk protein with known anticancer properties. A total of 2688 distinct peptides, 5–25 amino acids in length, are generated from alpha‐lactalbumin. In silico ACP screening using the physicochemical and structural filters and three machine learning models lead to the top candidate peptides ALA‐A1 and ALA‐A2. In vitro screening against five human cancer cell lines supports ALA‐A2 as the positive hit. ALA‐A2 selectively kills A549 lung cancer cells in a dose‐dependent manner, with no hemolytic side effects, and acts as a cell penetrating peptide without membranolytic effects. Sequential window acquisition of all theorical fragment ions‐proteomics and functional validation reveal that ALA‐A2 induces autophagy to mediate lung cancer cell death. This approach to identify ALA‐A2 is time and cost‐effective. Further investigations are warranted to elucidate the exact intracellular targets of ALA‐A2. Moreover, these findings support the use of larger computational peptide libraries built upon multiple proteins to further advance ACP research and development.
A qualitative study of multiple voices to inform aftercare services for older persons following self‐harm
Authors: Wand Anne P. , Karageorge Aspasia , Browne Roisin , Jessop Tiffany , Peisah Carmelle
Published: January 2023

Objectives

Self‐harm and suicide are closely related in older adults, highlighting the opportunity for Aftercare interventions in targeted suicide prevention. The study aims were to explore strengths and shortfalls of current Aftercare services for older adults from the perspective of key stakeholders and researchers; and inform a set of guiding principles for older persons' Aftercare.

Methods

Semi‐structured interviews were undertaken with a convenience sample of older people with lived experience of self‐harm, clinicians and suicide researchers (n = 22). Interviews were focussed on current practice (strengths and limitations), potential improvements, and identifying the core components of an acceptable Aftercare model. Interviews were audio‐recorded, transcribed and subjected to a reflexive thematic analysis grounded in interpretive description.

Results

Current practice strengths included validation, a person‐centred approach and optimising aftercare delivery. Limitations included ageism, practical limitations (lack of service awareness, fragmented service provision, barriers to access, and traumatising approaches), and limited services, funding and training. Overarching themes included anti‐ageism; anti‐stigma; empowerment and agency; conveying hope; patience and pace; accessible; and finding purpose: connections and meaningful activity.

Conclusions

Older people who have self‐harmed have complex, individualised needs. They sit within intersecting systems traversing healthcare, support services, family, and the social environment. Systemic, coordinated Aftercare founded upon core principles of anti‐ageism, anti‐stigma, partnership, empowerment, accessibility and provision of connections and meaning are needed.
Evaluating test–retest reliability and sex‐/age‐related effects on temporal clustering coefficient of dynamic functional brain networks
Authors: Long Yicheng , Ouyang Xuan , Yan Chaogan , Wu Zhipeng , Huang Xiaojun , Pu Weidan , Cao Hengyi , Liu Zhening , Palaniyappan Lena
Published: January 2023

The multilayer dynamic network model has been proposed as an effective method to understand the brain function. In particular, derived from the definition of clustering coefficient in static networks, the temporal clustering coefficient provides a direct measure of the topological stability of dynamic brain networks and shows potential in predicting altered brain functions. However, test–retest reliability and demographic‐related effects on this measure remain to be evaluated. Using a data set from the Human Connectome Project (157 male and 180 female healthy adults; 22–37 years old), the present study investigated: (1) the test–retest reliability of temporal clustering coefficient across four repeated resting‐state functional magnetic resonance imaging scans as measured by intraclass correlation coefficient (ICC); and (2) sex‐ and age‐related effects on temporal clustering coefficient. The results showed that (1) the temporal clustering coefficient had overall moderate test–retest reliability (ICC > 0.40 over a wide range of densities) at both global and subnetwork levels, (2) female subjects showed significantly higher temporal clustering coefficient than males at both global and subnetwork levels, particularly within the default‐mode and subcortical regions, and (3) temporal clustering coefficient of the subcortical subnetwork was positively correlated with age in young adults. The results of sex effects were robustly replicated in an independent REST‐meta‐MDD data set, while the results of age effects were not. Our findings suggest that the temporal clustering coefficient is a relatively reliable and reproducible approach for identifying individual differences in brain function, and provide evidence for demographically related effects on the human brain dynamic connectomes.
Aspects of Arrhenius kinetics and Hall currents on gyratory Couette flow of magnetized ethylene glycol containing bi‐hybridized nanomaterials
Authors: Das Sanatan , Mahato Naspa , Ali Asgar , Jana Rabindra Nath
Published: January 2023

Incomparable thermal features of hybrid nanofluids (NFs) have been well recognized. Hybrid nanomaterials are prolifically used in chemistry processes, enzyme nanotechnology, pharmaceutical manufacturing, and so on. Motivated by numerous novel applications, in the present article, a theoretical study is conducted to demonstrate a time‐dependent hydro‐magnetic Couette flow and heat transport features inside a gyrating channel filled with a reactive second‐grade hybrid NF (copper–alumina–ethylene glycol) and Darcian porous medium under multiparty impacts of Hall currents, temperature‐dependent thermal conductivity, and Arrhenius chemical reaction. The modeled momentum equations are rendered nondimensional and solved analytically by means of the sophisticated Laplace transform technique. ND Solver in Mathematica is deployed to estimate the numerical solution of the energy equation. The computational outcomes are plotted and interpreted via physical constraints using line graphs and tables. The graphical outcomes assert that Hall currents significantly modify the gyratory flow dynamics and thermal features. The thermal profile and heat transfer rate manifest a diminishing pattern over widening Hall and rotation parameters. The change in thermal conductivity has a substantial impact on heat transmission. The novelty of the research study is a new insight into the hydro‐thermal manners of magnetized rotational non‐Newtonian hybrid NF.
Hypertensive disorders of pregnancy and long‐term cardiovascular health: FIGO Best Practice Advice
Authors: Poon Liona C. , Nguyen‐Hoang Long , Smith Graeme N. , Bergman Lina , O'Brien Patrick , Hod Moshe , Okong Pius , Kapur Anil , Maxwell Cynthia V. , McIntyre Harold David , Jacobsson Bo , Algurjia Esraa , Hanson Mark A. , Rosser Mary L. , Ma Ronald C. , O'Reilly Sharleen L. , Regan Lesley , Adam Sumaiya , Medina Virna P. , McAuliffe Fionnuala M. ,   the FIGO Committee on Impact of Pregnancy on Long‐term Health and the FIGO Division of Maternal and Newborn Health
Published: January 2023

Hypertensive disorders of pregnancy (HDP) are the most common causes of maternal and perinatal morbidity and mortality. They are responsible for 16% of maternal deaths in high‐income countries and approximately 25% in low‐ and middle‐income countries. The impact of HDP can be lifelong as they are a recognized risk factor for future cardiovascular disease. During pregnancy, the cardiovascular system undergoes significant adaptive changes that ensure adequate uteroplacental blood flow and exchange of oxygen and nutrients to nurture and accommodate the developing fetus. Failure to achieve normal cardiovascular adaptation is associated with the development of HDP. Hemodynamic alterations in women with a history of HDP can persist for years and predispose to long‐term cardiovascular morbidity and mortality. Therefore, pregnancy and the postpartum period are an opportunity to identify women with underlying, often unrecognized, cardiovascular risk factors. It is important to develop strategies with lifestyle and therapeutic interventions to reduce the risk of future cardiovascular disease in those who have a history of HDP.
Management of obesity across women's life course: FIGO Best Practice Advice
Authors: Maxwell Cynthia V. , Shirley Rachelle , O'Higgins Amy C. , Rosser Mary L. , O'Brien Patrick , Hod Moshe , O'Reilly Sharleen L. , Medina Virna P. , Smith Graeme N. , Hanson Mark A. , Adam Sumaiya , Ma Ronald C. , Kapur Anil , McIntyre Harold David , Jacobsson Bo , Poon Liona C. , Bergman Lina , Regan Lesley , Algurjia Esraa , McAuliffe Fionnuala M. ,   the FIGO Committee on Impact of Pregnancy on Long‐term Health and the FIGO Division of Maternal and Newborn Health
Published: January 2023

Obesity is a chronic, progressive, relapsing, and treatable multifactorial, neurobehavioral disease. According to the World Health Organization, obesity affects 15% of women and has long‐term effects on women's health. The focus of care in patients with obesity should be on optimizing health outcomes rather than on weight loss. Appropriate and common language, considering cultural sensitivity and trauma‐informed care, is needed to discuss obesity. Pregnancy is a time of significant physiological change. Pre‐, ante‐, and postpartum clinical encounters provide opportunities for health optimization for parents with obesity in terms of, but not limited to, fertility and breastfeeding. Pre‐existing conditions may also be identified and managed. Beyond pregnancy, women with obesity are at an increased risk for gastrointestinal and liver diseases, impaired kidney function, obstructive sleep apnea, and venous thromboembolism. Gynecological and reproductive health of women living with obesity cannot be dismissed, with accommodations needed for preventive health screenings and consideration of increased risk for gynecologic malignancies. Mental wellness, specifically depression, should be screened and managed appropriately. Obesity is a complex condition and is increasing in prevalence with failure of public health interventions to achieve significant decrease. Future research efforts should focus on interprofessional care and discovering effective interventions for health optimization.
Erk1/2 signaling mediates the HGF‐induced protection against ethanol and acetaldehyde‐induced toxicity in the pancreatic RINm5F cell line
Authors: Palestino‐Domínguez Mayrel , Escobedo‐Calvario Alejandro , Salas‐Silva Soraya , Vergara‐Mendoza Moises , Souza‐Arroyo Veronica , Lazzarini Roberto , Miranda‐Labra Roxana , Bucio‐Ortiz Leticia , Gutiérrez‐Ruiz María Concepción , Gomez‐Quiroz Luis E.
Published: January 2023

Alcohol‐induced pancreas damage remains as one of the main risk factors for pancreatitis development. This disorder is poorly understood, particularly the effect of acetaldehyde, the primary alcohol metabolite, in the endocrine pancreas. Hepatocyte growth factor (HGF) is a protective protein in many tissues, displaying antioxidant, antiapoptotic, and proliferative responses. In the present work, we were focused on characterizing the response induced by HGF and its protective mechanism in the RINm5F pancreatic cell line treated with ethanol and acetaldehyde. RINm5F cells were treated with ethanol or acetaldehyde for 12 h in the presence or not of HGF (50 ng/ml). Cells under HGF treatment decreased the content of reactive oxygen species and lipid peroxidation induced by both toxics, improving cell viability. This effect was correlated to an improvement in insulin expression impaired by ethanol and acetaldehyde. Using a specific inhibitor of Erk1/2 abrogated the effects elicited by the growth factor. In conclusion, the work provides mechanistic evidence of the HGF‐induced‐protective response to the alcohol‐induced damage in the main cellular component of the endocrine pancreas.
The potential mechanism underlying the hepatorenal toxicity induced by hymexazol in rats and the role of NF‐κB signaling pathway
Authors: Hassan Neven H. , Mehanna Sally , Hussien Ahmed M. , Ibrahim Marwa A. , Hassanen Eman I.
Published: January 2023

Hymexazol (HML) is widely used in agriculture as a systemic fungicide and plant growth promoter. Humans are continuously exposed to HML via various routes. The liver and kidneys are essential organs for the detoxification, metabolism, and excretion of HML. However, data concerning the impact of HML on nontarget organisms are scarce. The present study aimed to determine the mechanism of dose‐dependent hepatorenal toxicity of HML in rats. Twenty‐one rats were divided into three equal groups that received the following treatments via oral intake daily for 14 days: group 1, normal saline; group 2, low dose of HML (1/80 LD50); group 3, high dose of HML (1/40 LD50). We weighed the rats at the beginning and the end of the experiment to record the weight gain in each group. The results showed that HML induced dose‐dependent hepatorenal toxicity manifested by a significant increase in malondialdehyde levels, a decrease in total antioxidant capacity and reduced glutathione contents, and upregulation of the transcriptase levels of the nuclear factor kappa B (NF‐κB), tumor necrosis factor alpha (TNF‐α), and interleukin‐1 beta (IL‐1β) genes. The HML‐exposed groups displayed various histopathological changes in both organs, with significant elevation of all serum liver and kidney biomarkers. In conclusion, HML produced hepatorenal toxicity in rats through oxidative stress that mediates the NF‐κB signaling pathway in response to pro‐inflammatory cytokines such as TNF‐α and IL‐1β. We advise limiting the use of HML in agricultural and veterinary practices and finding an alternative agent to avoid the human and animal health risks induced by HML exposure.
Unique structures and material properties of the skin in different body regions of three species of fish
Authors: Zheng Yu , Li Xin , Guo Ce
Published: January 2023

Benefitting from its unique helically arranged fiber structures, fish skin is a superior biological protective tissue. Reported here is a study of the microscopic morphological characteristics and mechanical properties of the skin of three species of fish, that is, Taihu white fish (Erythroculter ilishaeformis), grouper (Cichlasoma managuense), and yellowfin seabream (Ditrema temminckii Bleeker), revealing the special protective mechanisms of fish skin. Experiments involving scanning electron microscopy show that the stratum compactum is the main part of fish skin and comprises helically stacked fibers, with the helical ply angles of the fibrous layers differing significantly for the different fish species and in different regions of their bodies. Tension and penetration experiments show that fish skin provides a fish's body with considerable mechanical protection from lacerations and bites inflicted by its natural enemies. Moreover, the mechanical tests show that fish skin has two different defensive mechanisms against tension and penetration loads, thereby offering a novel idea for designing body armor that is both flexible and tough.
The potential off‐target neuroprotective effect of sister gliflozins suggests their repurposing despite not crossing the blood–brain barrier: From bioanalytical assay in rats into theory genesis
Authors: Hendy Moataz S. , Mowaka Shereen , Elkady Ehab F. , El‐Zaher Asmaa , Ayoub Bassam M.
Published: January 2023

Gliflozins are successfully marketed antidiabetic agents with a reported neuroprotective effect, and this study tests their blood–brain barrier crossing ability. Henceforward, a computational hypothesis interpreting their effects was reasonable after failure to cross into the brain. A chromatographic bioassay for canagliflozin, dapagliflozin, and empagliflozin was developed, validated, and applied to the rat's and rat's plasma and brain. HPLC method robustness was tested over two levels using Design of Experiment on MINITAB. It is the first method for gliflozins’ detection in rats’ brain tissue. The method was applied on 18 rats and six for each drug. Concentrations in plasma were determined but neither of them was detected in brain at the described chromatographic conditions. A computational study for the three drugs was endorsing two techniques. First, ligand‐based target fishing reveals possible targets for gliflozins. They showed an ability to bind with human equilibrative nucleoside transporter 1, a regulator of adenosine extracellularly. Second, a docking study was carried out on this protein receptor. Results showed perfect alignment with a minimum of one hydrogen bond. Dapagliflozin achieved the lowest energy score with two hocking hydrogen bonds. This is proposing gliflozins ability to regulate equilibrative nucleoside transporter 1 receptors in peripheries, elevating the centrally acting neuroprotective adenosine.
Enhanced Transdermal Absorption of Hyaluronic Acid via Fusion with Pep‐1 and a Hyaluronic Acid Binding Peptide
Authors: Yan Li‐Hua , Zhang Yu‐Jie , Hu Hai‐Jie , Zhang Chuan , Wang Yue , Xu Xue‐Tian , Zhang Tong‐Cun , Su Rui , Luo Xue‐Gang
Published: January 2023

It is always big challenges for hyaluronic acid (HA) in transmembrane absorbing and efficient delivering to the skin. Pep‐1, as one of the cell‐penetrating peptides, has been documented to permeate various substances across cellular membranes without covalent binding. Here, a novel hyaluronic acid binding peptide (named HaBP) is designed, and then combined with Pep‐1 to enhance the cell‐penetrating efficiency of HA. The results of ELISA and immunofluorescence assay show that HaBP could bind with HA very well, and a combination of Pep‐1 and HaBP could efficiently improve the transmembrane ability of HA. Furthermore, HA gradually enters the dermis from the surface of the skin in mice when it is administrated with both HaBP and Pep‐1, while there are no obvious allergies or other adverse reactions during this process. This study finds a new method to promote the efficient transmembrane and transdermal absorption of HA, and throws some light on further research on the development of hyaluronic acid and its related cosmetics or drugs.
The Lawson‐Hanson algorithm with deviation maximization: Finite convergence and sparse recovery
Authors: Dessole Monica , Dell'Orto Marco , Marcuzzi Fabio
Published: January 2023

The Lawson‐Hanson with Deviation Maximization (LHDM) method is a block algorithm for the solution of NonNegative Least Squares (NNLS) problems. In this work we devise an improved version of LHDM and we show that it terminates in a finite number of steps, unlike the previous version, originally developed for a special class of matrices. Moreover, we are concerned with finding sparse solutions of underdetermined linear systems by means of NNLS. An extensive campaign of experiments is performed in order to evaluate the performance gain with respect to the standard Lawson‐Hanson algorithm. We also show the ability of LHDM to retrieve sparse solutions, comparing it against several ‐minimization solvers in terms of solution quality and time‐to‐solution on a large set of dense instances.
Pediatric inflammatory myofibroblastic tumor of the bladder with ALK–FN1 fusion successfully treated by alectinib
Authors: Fujiki Toshihiro , Sakai Yuta , Ikawa Yasuhiro , Takenaka Mika , Noguchi Kazuhiro , Kuroda Rie , Abe Takatoshi , Nomura Kozo , Sakai Seisho , Wada Taizo
Published: January 2023

An inflammatory myofibroblastic tumor (IMT) is a mesenchymal neoplasm characterized by the proliferation of myofibroblasts and inflammatory cell infiltration. Although radical resection is the only established treatment strategy for IMT, it can cause functional disorders when vital organs are affected. We describe a case of pediatric IMT of the bladder with FN1–ALK (fibronectin 1–anaplastic lymphoma kinase) fusion. Radical resection might lead to urinary disturbance due to the large tumor size at diagnosis. However, the tumor was successfully treated with alectinib, a second‐generation ALK inhibitor, followed by transurethral resection of the bladder tumor without any complications.
A differential proteomics study of cerebrospinal fluid from individuals with Niemann‐Pick disease, Type C1
Authors: Li Wenping , Pergande Melissa R. , Crutchfield Christopher A. , Searle Brian C. , Backlund Peter S. , Picache Jaqueline A. , Burkert Kathryn , Yanjanin‐Farhat Nicole M. , Blank Paul S. , Toth Cynthia L. , Wassif Christopher A. , Porter Forbes D. , Cologna Stephanie M.
Published: January 2023

Niemann‐Pick, type C1 (NPC1) is a fatal, neurodegenerative disease, which belongs to the family of lysosomal diseases. In NPC1, endo/lysosomal accumulation of unesterified cholesterol and sphingolipids arise from improper intracellular trafficking resulting in multi‐organ dysfunction. With the proximity between the brain and cerebrospinal fluid (CSF), performing differential proteomics provides a means to shed light to changes occurring in the brain. In this study, CSF samples obtained from NPC1 individuals and unaffected controls were used for protein biomarker identification. A subset of these individuals with NPC1 are being treated with miglustat, a glycosphingolipid synthesis inhibitor. Of the 300 identified proteins, 71 proteins were altered in individuals with NPC1 compared to controls including cathepsin D, and members of the complement family. Included are a report of 10 potential markers for monitoring therapeutic treatment. We observed that pro‐neuropeptide Y (NPY) was significantly increased in NPC1 individuals relative to healthy controls; however, individuals treated with miglustat displayed levels comparable to healthy controls. In further investigation, NPY levels in a NPC1 mouse model corroborated our findings. We posit that NPY could be a potential therapeutic target for NPC1 due to its multiple roles in the central nervous system such as attenuating neuroinflammation and reducing excitotoxicity.
How has the SARS‐CoV‐2 pandemic changed the epidemiology and management of acute bronchiolitis?
Authors: Brisca Giacomo , Mariani Marcello , Buratti Silvia , Ferretti Marta , Pirlo Daniela , Buffoni Isabella , Mallamaci Marisa , Salvati Pietro , Tagliarini Giulia , Piccotti Emanuela , Sacco Oliviero , Castagnola Elio , Moscatelli Andrea
Published: January 2023

Objective

SARS‐COV‐2 pandemic profoundly impacted acute bronchiolitis epidemiology worldwide, especially respiratory syncytial virus (RSV) diffusion and the burden of disease, with remarkable implications on the management of health resources. We aimed to study the epidemiology and clinical course of bronchiolitis in the past 5 years in our region and to assess the trends that occurred during and after the SARS‐COV‐2 pandemic.

Methods

We conducted an observational study including all children aged 0–2 years with bronchiolitis admitted to a tertiary children's hospital during the last 5 years. Demographic, clinical, and microbiological data were collected. Comparisons between patient subgroups were carried out.

Results

A total of 647 patients admitted for bronchiolitis were included (median age 78 days). Molecular diagnostic tests were performed in 617 patients (95.4%) with RSV detected in 51.5% of patients in prepandemic years and 74.5% in pandemic years. Through the study period, we observed a progressive increase in the number of children requiring respiratory support, RSV infections, and children with a history of prematurity. Conversely, this was not true for mechanical ventilation, duration of respiratory support, intensive care unit admission, and length of stay.

Conclusions

Clinical course and epidemiology of bronchiolitis showed a significant change through the study years with a heavy impact during the 2021–2022 season. The increase in the number of patients requiring respiratory support, although not associated with an increase in mechanical ventilation, may be explained by the higher prevalence of RSV. The change in epidemiology highlights the importance of surveillance systems to monitor RSV circulation, to plan prophylactic strategies, and prepare healthcare systems.
A Hybrid Schottky–Ohmic Drain Contact for Thermally Stressed Beta‐Gallium Oxide Field‐Effect Transistors
Authors: Jeong Yeong Je , Lee Chan Ho , Yeom Min Jae , Yang Jeong Yong , Yoo Geonwook
Published: January 2023

Degradation of ohmic contacts on β‐Ga2O3 under thermal stress conditions is a severe issue that hinders its high‐temperature applicability. Herein, a hybrid Schottky–ohmic drain contact (HSD) is demonstrated in β‐Ga2O3 field‐effect transistors (FETs). It is compared with a conventional ohmic drain contact (OD) after extended thermal annealing. Pulsed drain bias measurement is conducted to investigate the trapping process at the interface of both drain contacts with the β‐Ga2O3 channel. Even with the extended Schottky metal region, the β‐Ga2O3 FET with the HSD contact exhibits similar contact and on‐resistance. Additionally, it shows field‐effect mobility higher than that of the OD contact device. Enhanced off‐state breakdown characteristics are achieved.
Coercivity Mechanism and Magnetization Reversal Process in Nanocomposite Pr2Fe14B/α‐Fe Alloy with Phosphorous Addition
Authors: Alam Mehran Khan , Raza Shahzab , Han Guangbing , Kang Shishou
Published: January 2023

An investigation is conducted for the coercivity mechanism in as‐spun Pr2Fe14B/α‐Fe ribbons containing different phosphorus (P) prepared at a wheel speed of 30 ms−1. With the increase of P addition, the volume of the amorphous phase in the ribbons is increased, and the grain size of Pr2Fe14B is decreased. The hysteresis loops of the ribbons with 0.1 at% P exhibit a homogeneous magnetization reversal process similar to single‐phase magnet, demonstrating that soft magnetic grains are fully coupled with the hard ones. The highest coercivity of 12.0 kOe (300 K)–38.0 kOe (100 K) is achieved in the ribbon with 0.3 at% P‐addition, which shows weak exchange coupling interaction between grains, and the high coercivity comes mainly from the decoupled hard phase. The values of the microstructure parameter in all compositions are less than 0.3 and imply that the main coercivity mechanism is the mixture of the nucleation of reverse domain and domain wall pinning. The minor hysteresis loops and initial magnetization curves show the dominant domain wall pinning in the ribbon with 0–0.1 at% P, nucleation and pinning in the ribbon with 0.3 at% P, and dominant domain nucleation in the ribbon with 0.5 at% P.
Bandgap Assessment of Compositional Variation for Uncovering High‐Efficiency Improved Stable All‐Inorganic Lead‐Free Perovskite Solar Cells
Authors: Prabu R. Thandaiah , Malathi S. R. , Kumar Atul , Al-Asbahi Bandar Ali , Laref Amel
Published: January 2023

Bandgap evolution with composition variation of ABX3 perovskites is explored, where A = MA, FA, Cs, Rb; B = Pb, Sn, Ge; and X = I, Br, Cl. To identify alternative lead‐free and stable perovskite‐absorbing compositions, all possible combinations of compositions are screened under constraints of structural stability and optimal bandgap values. The comparative analysis reveals Cs‐, Rb‐, and Ge‐based perovskite as an alternative to MAPbI3's toxicity and stability issues. The Cs‐, Rb‐, and Ge‐based perovskites are lead free and structurally stable, with the requisite optical cum electrical properties. The numerical simulation of the proposed Cs1−yRbyGe(BrxI1−x)3‐based device shows efficiency above the 22% mark. All aspects of the proposed device are identical to MAPbI3, except that the MAPbI3 absorber is replaced with a Cs1−yRbyGe(BrxI1−x)3‐based absorber.
TUM autonomous motorsport: An autonomous racing software for the Indy Autonomous Challenge
Authors: Betz Johannes , Betz Tobias , Fent Felix , Geisslinger Maximilian , Heilmeier Alexander , Hermansdorfer Leonhard , Herrmann Thomas , Huch Sebastian , Karle Phillip , Lienkamp Markus , Lohmann Boris , Nobis Felix , Ögretmen Levent , Rowold Matthias , Sauerbeck Florian , Stahl Tim , Trauth Rainer , Werner Frederik , Wischnewski Alexander
Published: January 2023

For decades, motorsport has been an incubator for innovations in the automotive sector and brought forth systems, like, disk brakes or rearview mirrors. Autonomous racing series such as Roborace, F1Tenth, or the Indy Autonomous Challenge (IAC) are envisioned as playing a similar role within the autonomous vehicle sector, serving as a proving ground for new technology at the limits of the autonomous systems capabilities. This paper outlines the software stack and approach of the TUM Autonomous Motorsport team for their participation in the IAC, which holds two competitions: A single‐vehicle competition on the Indianapolis Motor Speedway and a passing competition at the Las Vegas Motor Speedway. Nine university teams used an identical vehicle platform: A modified Indy Lights chassis equipped with sensors, a computing platform, and actuators. All the teams developed different algorithms for object detection, localization, planning, prediction, and control of the race cars. The team from Technical University of Munich (TUM) placed first in Indianapolis and secured second place in Las Vegas. During the final of the passing competition, the TUM team reached speeds and accelerations close to the limit of the vehicle, peaking at around and . This paper will present details of the vehicle hardware platform, the developed algorithms, and the workflow to test and enhance the software applied during the 2‐year project. We derive deep insights into the autonomous vehicle's behavior at high speed and high acceleration by providing a detailed competition analysis. On the basis of this, we deduce a list of lessons learned and provide insights on promising areas of future work based on the real‐world evaluation of the displayed concepts.
Ultrasound Probe‐assisted Telescopic One‐pot Synthesis of Spiro[indene‐2,2’‐naphthalene]‐4’‐carbonitrile Derivatives using Fe3O4@SCH2CO2H@Ni‐NH2as a Reusable Nanocatalyst
Authors: Ghasemi‐Ghahsareh Aref , Safaei‐Ghomi Javad , Oboudatian Hourieh Sadat
Published: January 2023

In this paper, a novel inorganic‐organic hybrid catalyst based on Fe3O4has been successfully developed during four simple steps. After construction of Fe3O4@SCH2CO2H, the presence of nickel and urea converts this catalyst into the porous nano magnetic catalyst. The prepared nanocatalyst was identified by FT‐IR, VSM, XRD, FE‐SEM, EDX, elemental mapping, TGA, TEM, and BET. Then, we have employed the prepared catalyst as a recoverable heterogeneous and nanoporous catalyst for synthesis of spiro[indene‐2,2’‐naphthalene]‐4’‐ carbonitrile derivatives via one‐pot telescopic four component reaction of malononitrile, cyclohexanone, aromatic aldehydes, and 1,3‐indandione under ultrasonic irradiation. As anticipated, prepared catalyst displayed significant performance in the promoting of the studied reaction. Eco‐friendly, facile workup, medium to excellent yields in short reaction times, broad range of products, high catalytic performance and reusability of the catalyst are some of the noticeable advantages of this protocol. Further, we can separate and reuse the catalyst six times without any significant loss of activity.
Orange Pomace Facilitated Synthesis of Cu2O/ZnO Nanocomposites for Visual and Optical Sensing of Silver Ions in Water for Environmental Remediation
Authors: Yadav Sushma , Shah Anjali , Malhotra Priti
Published: January 2023

The presence of silver ions at toxic concentrations in wastewater has provoked many scientists to design novel methods to detect silver ions in water. Employing agro‐waste to design nanomaterials has incited the use of orange pomace to design fruitful and biocompatible nanomaterials for endorsing sustainable and green methods. Herein, we report a sensitive and selective colorimetric detection of silver ions employing biogenically synthesized Cu2O/ZnO nanocomposites (NCs). The Cu2O/ZnO NCs were fabricated using orange pomace (OP) holistically acting as a stabilizing and reducing agent. Sensing ability of Cu2O/ZnO NCs synthesized via greener route for the presence of different metal ions such as Na+, Ca2+, Cd2+, Sr2+, Ag+, Ni2+, Fe2+, Pb2+, Mg2+, and K+ has been examined at room temperature. A naked eye colour change form slight yellowish to black was noticed in case of silver ions, this is confirmed by the shifting of maximum wavelength from 453 nm to 362 nm. Thus, in this work Cu2O/ZnO NCs was demonstrated as an extremely specific and selective colorimetric nanosensor for silver ions in water and showed a good linearity over the range of 20 μM–2 mM and a limit of detection (LOD) of 13.1 μM. The green fabrication of nanosensor for silver ions further maintain the sustainability of environment and encourage the researchers for greener fabrication of colorimetric sensors.
New Insights into the Chemistry of the Hydrothermal Synthesis of Olivine Lithium Metal Phosphates
Authors: Chen Wen‐Jing , Xiao Han , Chen Wei , Fang Hai‐Sheng
Published: January 2023

The effect of alkali ions (Na+ and K+) on the hydrothermal synthesis of olivine lithium metal phosphates in the P excess system was investigated by taking the synthesis of LiMn0.8Fe0.19Mg0.01PO4 as a case study. It is found that the coexisting Na+ can compete with Li+ to partly form NaMnPO4 as an impurity when the Na+/Li+ ratio exceeds the critical value, and this is not the case for the coexisting K+. These behaviors should be related to the difference in the ionic size of the alkali ions which also leads to a very different process of LiMn0.8Fe0.19Mg0.01PO4 formation. The samples derived from the K+‐coexisting reaction system can deliver much higher reversible capacities as compared with the sample derived from the Na+‐coexisting reaction system. This study provides new insights into the chemistry of the hydrothermal synthesis of olivine lithium metal phosphates, with an important implication for controllable synthesis and property manipulation.
Design, Synthesis, Cytotoxic Activity and Molecular Docking Studies of Naphthyl Pyrazolyl Thiazole Derivatives as Anticancer Agents
Authors: Abd El Salam Hayam A. , Fathy Usama , Zayed Ehab M. , El Shehry Mohamed F. , Ahmed E.Gouda and
Published: January 2023

Novel series of heterocycliccompounds pairing hybrids pyrazole, naphthalene and pyrazoline/thiazoldinemoieties were synthesized. The starting compounds pyrazolyl hydrazinecarbothioamidewere synthesized by the reaction of the 4‐formyl pyrazole derivatives with thiosemicarbazide to afford the substituted carbothioamide in good yields. The carbothioamideswere used as starting materials for synthesis of a variety of pyrazolylhydrazinylthiazole derivativesandpyrazolylhydrazonothiazolidin derivatives. The structures of the newly synthesized compounds were deduced depending on their spectrum data and elemental analysis. The cytotoxicity of the selected compounds was screened invitroagainst three human breast cancer cell lines. The four compounds showed a gradual decrease in cell viability and theonly compound thiazolidin‐4‐one10bshowed IC5010.16, 8.25 and 4.88 μM against the above cell lines, respectively. Thus, it was selected for further invitrobiological investigations. The Structure‐activity relationship for these compounds was interpreted in terms of molecular docking.
Fujiwara‐Moritani Assisted Synthesis of Conjugated 2,3‐Dihydrofuran Trienes and Corresponding 2,3‐Dihydrobenzofuran Derivative
Authors: Kumar Sandeep , Chhatwal Rajni Johar , Maity Jyotirmoy , Senapati Nihar Nalini , Prasad Ashok K.
Published: January 2023

Palladium catalysed C−H activation has been carried out on furanoid glycals to afford highly substituted and conjugated 2,3‐dihydrofuran trienes and then its conversion into highly substituted 2,3‐dihydrobenzofuran was achieved starting from commercially available, inexpensive sugar precursor diacetone‐D‐glucose. Claisen‐Schmidt condensation reaction, Fujiwara‐Moritani cross coupling reaction and 6π electro‐cyclisation reaction were utilized as the key steps in this synthetic route. Diacetone‐D‐glucose was converted into dihydrofuran moiety via Claisen Schmidt condensation which was submitted to Fujiwara‐Moritani C−C coupling reaction to afford 2,3‐O‐isopropylidine‐4,5‐disubstituted 2,3‐dihydrofurans. Excellent yields (up to 97 %) were obtained during C−C coupling step which indeed is an accomplishment. Next, two step chemical route was established for conversion of these substituted and conjugated 2,3‐dihydrofuran triene moieties into corresponding substituted 2,3‐dihydrobenzofuran moiety.
A Green Protocol for One‐Pot Pseudo Five‐Component Synthesis of a New Series of Bis‐Betti Bases Via Mannich‐Type Reaction
Authors: Olyaei Abolfazl , Kouhfar Parisa , Sadeghpour Mahdieh
Published: January 2023

A green multi‐component approach for the synthesis of a new series of bis‐Betti base derivatives via Mannich‐type reaction was developed based on the one‐pot pseudo five‐component reaction of 5,5′‐methylenebis(thiazol‐2‐amine), aromatic aldehydes and 2‐naphthol in the presence of p‐toluenesulfonic acid as organocatalyst under solvent‐free conditions. The attractive features of this method are operational simplicity, metal‐free conditions, environmentally friendly, high atom‐economy, shorter reaction time, broad substrate scope, easy workup procedure, purification of products by nonchromatographic methods and good to high yields.
An Efficiently Doped PEDOT:PSS Ink Formulation via Metastable Liquid−Liquid Contact for Capillary Flow‐Driven, Hierarchically and Highly Conductive Films
Authors: Qiu Jiahuan , Yu Xinlan , Wu Xing , Wu Ziliang , Song Yihu , Zheng Qiang , Shan Guorong , Ye Hui , Du Miao
Published: January 2023

With commercial electronics transitioning toward flexible devices, there is a growing demand for high‐performance polymers such as poly(3,4‐ethylenedioxythiophene): poly(styrene sulfonate) (PEDOT:PSS). Previous breakthroughs in promoting the conductivity of PEDOT:PSS, which mainly stem from solvent‐treatment and transfer‐printing strategies, remain as inevitable challenges due to the inefficient, unstable, and biologically incompatible process. Herein, a scalable fabrication of conducting PEDOT:PSS inks is reported via a metastable liquid−liquid contact (MLLC) method, realizing phase separation and removal of excess PSS simultaneously. MLLC‐doped inks are further used to prepare ring‐like films through a compromise between the coffee‐ring effect and the Marangoni vortex during evaporation of droplets. The specific control over deposition conditions allows for tunable ring‐like morphologies and preferentially interconnected networks of PEDOT:PSS nanofibrils, resulting in a high electrical conductivity of 6,616 S cm−1 and excellent optical transparency of the film. The combination of excellent electrical properties and the special morphology enables it to serve as electrodes for touch sensors with gradient pressure sensitivity. These findings not only provide new insight into developing a simple and efficient doping method for commercial PEDOT:PSS ink, but also offer a promising self‐assembled deposition pattern of organic semiconductor films, expanding the applications in flexible electronics, bioelectronics as well as photovoltaic devices.