bluuebunny/crossref_metadata_2025 huggingface dataset:
The Epigenetic Dimension of Protein Structure Is an Intrinsic Weakness of the AlphaFold Program
Authors: Azzaz Fodil , Yahi Nouara , Chahinian Henri , Fantini Jacques
Published: October 2022

One of the most important lessons we have learned from sequencing the human genome is that not all proteins have a 3D structure. In fact, a large part of the human proteome is made up of intrinsically disordered proteins (IDPs) which can adopt multiple structures, and therefore, multiple functions, depending on the ligands with which they interact. Under these conditions, one can wonder about the value of algorithms developed for predicting the structure of proteins, in particular AlphaFold, an AI which claims to have solved the problem of protein structure. In a recent study, we highlighted a particular weakness of AlphaFold for membrane proteins. Based on this observation, we have proposed a paradigm, referred to as “Epigenetic Dimension of Protein Structure” (EDPS), which takes into account all environmental parameters that control the structure of a protein beyond the amino acid sequence (hence “epigenetic”). In this new study, we compare the reliability of the AlphaFold and Robetta algorithms’ predictions for a new set of membrane proteins involved in human pathologies. We found that Robetta was generally more accurate than AlphaFold for ascribing a membrane-compatible topology. Raft lipids (e.g., gangliosides), which control the structural dynamics of membrane protein structure through chaperone effects, were identified as major actors of the EDPS paradigm. We conclude that the epigenetic dimension of a protein structure is an intrinsic weakness of AI-based protein structure prediction, especially AlphaFold, which warrants further development.
Acyl-Nω-methylserotonins and Branched-chain Acylserotonins in Lemon and Other Citrus Seeds—New Lipids with Antioxidant Properties and Potential Pharmacological Applications
Authors: Kruk Jerzy , Trela-Makowej Agnieszka , Szymańska Renata
Published: October 2022

We have found 15 previously unknown compounds in seeds of lemon and other citrus species, such as tangerine, grapefruit and pomelo. The structure of these compounds was characterized by HR–MS spectrometry, fluorescence spectroscopy and chemical synthesis. These compounds were predominantly long-chain (C20–C25), saturated acyl-Nω-methylserotonins with the main contribution of C22 and C24 homologues, usually accounting for about 40% and 30% of all acylserotonins, respectively. The other, previously undescribed, minor compounds were branched-chain acylserotonins, as well as normal-chain acylserotonins, recently found in baobab seed oil. Within the seed, acylserotonins were found nearly exclusively in the inner seed coat, where probably their biosynthesis proceeds. On the other hand, lemon seedlings contained only trace amounts of these compounds that were not found in adult leaves. The compounds identified in the present studies were shown to have antioxidant properties in vitro, using 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay. In the investigated reaction in hexane, Me-C22 and Me-C24-serotonins were less active than n-C22 and n-C24-serotonins and δ-tocopherol, while branched-chain acylserotonins (iso-C21 and -C25) showed higher antioxidant activity than all the normal-chain compounds. On the other hand, all these compounds showed a similar but considerably lower antioxidant activity in acetonitrile than in hexane.
Skin, Liver, and Kidney Interactions Contribute to Skin Dryness in Aging KK-Ay/Tajcl Mice
Authors: Hiramoto Keiichi , Goto Kenji , Tanaka Shota , Horikawa Tsuneki , Ooi Kazuya
Published: October 2022

Type 2 diabetes is a lifestyle-related disease that affects people worldwide and is especially prevalent in the elderly. Many elderly people with diabetes also complain of dry skin; however, the relationship between aging and dry skin in type 2 diabetes is unknown. The purpose of this study was to examine the interaction between aging and dry skin using the specific pathogen-free KK-Ay/TaJcl type 2 diabetes mouse model. Skin dryness in this model increases with age and was evaluated at 10, 27, 40, and 50 weeks. We observed increased mast cell expression, increased histamine and matrix metalloproteinase-1 levels, and decreased collagen expression in the skin of aging KK-Ay/TaJcl mice. In addition, the increased expression of angiopoietin 2, interleukin-6, tumor necrosis factor-α, and endostatin in the blood indicated kidney damage in this model. Aging KK-Ay/TaJcl mice also showed fatty liver pathology, which led to increased reactive oxygen species in the blood and liver, as well as the increased expression of M1 macrophages in the liver. These results showed that dry skin is associated with skin, kidney, and liver interactions in an aging type 2 diabetes mouse model.
A Novel Paper-Based Electrochemical Biosensor Based on N,O-Rich Covalent Organic Frameworks for Carbaryl Detection
Authors: Xiao Yawen , Wu Na , Wang Li , Chen Lili
Published: October 2022

A new N,O-rich covalent organic framework (COFDHNDA-BTH) was synthesized by an amine-aldehyde condensation reaction between 2,6-dialdehyde-1,5-dihydroxynaphthalene (DHNDA) and 1,3,5-phenyltriformylhydrazine (BTH) for carbaryl detection. The free NH, OH, and C=O groups of COFDHNDA-BTH not only covalently couples with acetylcholinesterase (AChE) into the pores of COFDHNDA-BTH, but also greatly improves the catalytic activity of AChE in the constrained environment of COFDHNDA-BTH’s pore. Under the catalysis of AChE, the acetylthiocholine (ATCl) was decomposed into positively charged thiocholine (TCl), which was captured on the COFDHNDA-BTH modified electrode. The positive charges of TCl can attract anionic probe [Fe(CN)6]3−/4− on the COFDHNDA-BTH-modified electrode to show a good oxidation peak at 0.25 V (versus a saturated calomel electrode). The carbaryl detection can inhibit the activity of AChE, resulting in the decrease in the oxidation peak. Therefore, a turn-off electrochemical carbaryl biosensor based on a flexible carbon paper electrode loaded with COFDHNDA-BTH and AChE was constructed using the oxidation peak of an anionic probe [Fe(CN)6]3−/4− as the detection signal. The detection limit was 0.16 μM (S/N = 3), and the linear range was 0.48~35.0 μM. The sensor has good selectivity, repeatability, and stability, and has a good application prospect in pesticide detection.
A Closed-Loop Approach to Fight Coronavirus: Early Detection and Subsequent Treatment
Authors: Rong Guoguang , Zheng Yuqiao , Yang Xi , Bao Kangjian , Xia Fen , Ren Huihui , Bian Sumin , Li Lan , Zhu Bowen , Sawan Mohamad
Published: October 2022

The recent COVID-19 pandemic has caused tremendous damage to the social economy and people’s health. Some major issues fighting COVID-19 include early and accurate diagnosis and the shortage of ventilator machines for critical patients. In this manuscript, we describe a novel solution to deal with COVID-19: portable biosensing and wearable photoacoustic imaging for early and accurate diagnosis of infection and magnetic neuromodulation or minimally invasive electrical stimulation to replace traditional ventilation. The solution is a closed-loop system in that the three modules are integrated together and form a loop to cover all-phase strategies for fighting COVID-19. The proposed technique can guarantee ubiquitous and onsite detection, and an electrical hypoglossal stimulator can be more effective in helping severe patients and reducing complications caused by ventilators.
Image Quality Improvement Techniques and Assessment Adequacy in Clinical Optoacoustic Imaging: A Systematic Review
Authors: Dimaridis Ioannis , Sridharan Patmaa , Ntziachristos Vasilis , Karlas Angelos , Hadjileontiadis Leontios
Published: October 2022

Optoacoustic imaging relies on the detection of optically induced acoustic waves to offer new possibilities in morphological and functional imaging. As the modality matures towards clinical application, research efforts aim to address multifactorial limitations that negatively impact the resulting image quality. In an endeavor to obtain a clear view on the limitations and their effects, as well as the status of this progressive refinement process, we conduct an extensive search for optoacoustic image quality improvement approaches that have been evaluated with humans in vivo, thus focusing on clinically relevant outcomes. We query six databases (PubMed, Scopus, Web of Science, IEEE Xplore, ACM Digital Library, and Google Scholar) for articles published from 1 January 2010 to 31 October 2021, and identify 45 relevant research works through a systematic screening process. We review the identified approaches, describing their primary objectives, targeted limitations, and key technical implementation details. Moreover, considering comprehensive and objective quality assessment as an essential prerequisite for the adoption of such approaches in clinical practice, we subject 36 of the 45 papers to a further in-depth analysis of the reported quality evaluation procedures, and elicit a set of criteria with the intent to capture key evaluation aspects. Through a comparative criteria-wise rating process, we seek research efforts that exhibit excellence in quality assessment of their proposed methods, and discuss features that distinguish them from works with similar objectives. Additionally, informed by the rating results, we highlight areas with improvement potential, and extract recommendations for designing quality assessment pipelines capable of providing rich evidence.
Articulatory Performance in Dysarthria: Using a Data-Driven Approach to Estimate Articulatory Demands and Deficits
Authors: Kuruvilla-Dugdale Mili , Mefferd Antje S.
Published: October 2022

This study pursued two goals: (1) to establish range of motion (ROM) demand tiers (i.e., low, moderate, high) specific to the jaw (J), lower lip (LL), posterior tongue (PT), and anterior tongue (AT) for multisyllabic words based on the articulatory performance of neurotypical talkers and (2) to identify demand- and disease-specific articulatory performance characteristics in talkers with amyotrophic lateral sclerosis (ALS) and Parkinson’s disease (PD). J, LL, PT, and AT movements of 12 talkers with ALS, 12 talkers with PD, and 12 controls were recorded using electromagnetic articulography. Vertical ROM, average speed, and movement duration were measured. Results showed that in talkers with PD, J and LL ROM were already significantly reduced at the lowest tier whereas PT and AT ROM were only significantly reduced at moderate and high tiers. In talkers with ALS, J ROM was significantly reduced at the moderate tier whereas LL, PT, and AT ROM were only significantly reduced at the highest tier. In both clinical groups, significantly reduced J and LL speeds could already be observed at the lowest tier whereas significantly reduced AT speeds could only be observed at the highest tier. PT speeds were already significantly reduced at the lowest tier in the ALS group but not until the moderate tier in the PD group. Finally, movement duration, but not ROM or speed performance, differentiated between ALS and PD even at the lowest tier. Results suggest that articulatory deficits vary with stimuli-specific motor demands across articulators and clinical groups.
Seismic Response of a Liquefiable Site-Underground Structure System
Authors: Cheng Xinjun , Xu Xiang , Hu Zhinan , Jing Liping , Liang Haian , Cui Jie
Published: October 2022

To study the dynamic response of a saturated sand-underground structure system subjected to earthquakes, a series of shaking table tests with a geometric scale ratio of 1/30 were conducted. Based on the experimental acceleration records of testing soil deposits, the relationship between dynamic shear stress and horizontal soil displacement was analyzed by the 1D shear beam inverse calculation method. Meanwhile, the development law of the equivalent dynamic horizontal subgrade reaction coefficient and the dynamic strain of the sidewall in the underground structure has also been discussed. The testing results indicate that the dynamic shear stress of the soil deposit under the bottom plate of the underground structure is larger than that of the soils surrounding the sidewall and above the roof plate; in addition, the soil displacement tends to decrease with the buried depth. The dynamic shear stress–displacement hysteretic loop of the soil deposits tends to be plump as the input amplitude increases. The spectral characteristics of ground motions obviously influence both the dynamic shear stress–displacement hysteretic curve and the excess pore water pressure ratio of saturated sand soil, especially under medium and strong excitations. The equivalent dynamic horizontal subgrade reaction coefficient decreases with the increase of soil depth, and the difference between the coefficient above and underneath the underground structure model can reach 7.589 MN/m3. On the contrary, the equivalent dynamic horizontal subgrade reaction coefficient decreases with the increase of the input amplitude of ground motions, and the maximum reduction ratios of the coefficient are 74.4%, 66.7%, and 47.3%, corresponding to the El-Centro, Kobe, and Wolong ground motions, respectively. The soil liquefaction has a certain effect on the equivalent dynamic horizontal subgrade reaction coefficient. In general, the dynamic strain at the top of the sidewall in the underground structure is higher than that at the bottom of the sidewall, which illustrates that the deformation of underground structures is in good agreement with the seismic deformation mode of soil deposits.
Experimental Study and Finite Element Calculation of the Behavior of Special T-Shaped Composite Columns with Concrete-Filled Square Steel Tubulars under Eccentric Loads
Authors: Li Quan , Liu Zhe , Zhou Xuejun , Wang Zhen
Published: October 2022

Special T-shaped composite columns with concrete-filled square steel tubulars have good restraint on internal concrete, are convenient to process, have a high bearing capacity and good mechanical properties, and can increase the aesthetics of the building and the utilization rate of indoor space. Theoretical analysis, experimental study, and numerical simulation of the eccentric compression performance of the special-shaped column are carried out. Taking the specimen length, eccentric distance, and eccentric direction as test parameters, nine specimens with different slenderness ratios were designed to carry out eccentric compression tests. The eccentric compression performance was numerically simulated and analyzed by the general finite element software ABAQUS. The results show that the short column mainly suffers section strength failure, while the middle and long columns mainly suffer bending instability failure without torsional deformation. The degree of influence of the test parameters decreases in turn according to the eccentric distance, eccentric direction, and length of the specimen; there is no weld cracking phenomenon, and the square steel pipes can work together. The finite element calculation results are in good agreement with the experimental and theoretical values.
The Emerging Roles of Protein Interactions with O-GlcNAc Cycling Enzymes in Cancer
Authors: Hu Chia-Wei , Xie Jinshan , Jiang Jiaoyang
Published: October 2022

The dynamic O-GlcNAc modification of intracellular proteins is an important nutrient sensor for integrating metabolic signals into vast networks of highly coordinated cellular activities. Dysregulation of the sole enzymes responsible for O-GlcNAc cycling, O-GlcNAc transferase (OGT) and O-GlcNAcase (OGA), and the associated cellular O-GlcNAc profile is a common feature across nearly every cancer type. Many studies have investigated the effects of aberrant OGT/OGA expression on global O-GlcNAcylation activity in cancer cells. However, recent studies have begun to elucidate the roles of protein–protein interactions (PPIs), potentially through regions outside of the immediate catalytic site of OGT/OGA, that regulate greater protein networks to facilitate substrate-specific modification, protein translocalization, and the assembly of larger biomolecular complexes. Perturbation of OGT/OGA PPI networks makes profound changes in the cell and may directly contribute to cancer malignancies. Herein, we highlight recent studies on the structural features of OGT and OGA, as well as the emerging roles and molecular mechanisms of their aberrant PPIs in rewiring cancer networks. By integrating complementary approaches, the research in this area will aid in the identification of key protein contacts and functional modules derived from OGT/OGA that drive oncogenesis and will illuminate new directions for anti-cancer drug development.
Role of N-Cadherin in Epithelial-to-Mesenchymal Transition and Chemosensitivity of Colon Carcinoma Cells
Authors: Skarkova Veronika , Vitovcova Barbora , Matouskova Petra , Manethova Monika , Kazimirova Petra , Skarka Adam , Brynychova Veronika , Soucek Pavel , Vosmikova Hana , Rudolf Emil
Published: October 2022

(1) Background: N-cadherin expression, epithelial-to-mesenchymal transition (EMT) and aggressive biological phenotype of tumor cells are linked although the underlying mechanisms are not entirely clear. (2) Methods: In this study, we used two different in vitro cell models with varying N-cadherin expression (stabilized lines and primocultures) and investigated their select biological features including the degree of their chemoresistance both in vitro as well as in vivo. (3) Results: We report that although enforced N-cadherin expression changes select morphological and behavioral characteristics of exposed cells, it fails to successfully reprogram cells to the aggressive, chemoresistant phenotype both in vitro as well as in vivo as verified by implantation of those cells into athymic mice. Conversely, primocultures of patient-colonic cells with naturally high levels of N-cadherin expression show fully aggressive and chemoresistant phenotype pertinent to EMT (in vitro and in vivo), with a potential to develop new mutations and in the presence of dysregulated regulatory pathways as represented by investigated miRNA profiles. (4) Conclusions: The presented results bring new facts concerning the functional axis of N-cadherin expression and related biological features of colon cancer cells and highlight colon cancer primocultures as a useful model for such studies.
Dietary Interventions in Cancer Treatment and Response: A Comprehensive Review
Authors: Mercier Benjamin D. , Tizpa Eemon , Philip Errol J. , Feng Qianhua , Huang Ziyi , Thomas Reeny M. , Pal Sumanta K. , Dorff Tanya B. , Li Yun R.
Published: October 2022

Chemotherapy and radiotherapy are first-line treatments in the management of advanced solid tumors. Whereas these treatments are directed at eliminating cancer cells, they cause significant adverse effects that can be detrimental to a patient’s quality of life and even life-threatening. Diet is a modifiable risk factor that has been shown to affect cancer risk, recurrence, and treatment toxicity, but little information is known how diet interacts with cancer treatment modalities. Although dietary interventions, such as intermittent fasting and ketogenic diets, have shown promise in pre-clinical studies by reducing the toxicity and increasing the efficacy of chemotherapeutics, there remains a limited number of clinical studies in this space. This review surveys the impact of dietary interventions (caloric restriction, intermittent and short-term fasting, and ketogenic diet) on cancer treatment outcomes in both pre-clinical and clinical studies. Early studies support a complementary role for these dietary interventions in improving patient quality of life across multiple cancer types by reducing toxicity and perhaps a benefit in treatment efficacy. Larger, phase III, randomized clinical trials are ultimately necessary to evaluate the efficacy of these dietary interventions in improving oncologic or quality of life outcomes for patients that are undergoing chemotherapy or radiotherapy.
Genetic Stability of Driver Alterations in Primary Cutaneous Diffuse Large B-Cell Lymphoma, Leg Type and Their Relapses: A Rationale for the Use of Molecular-Based Methods for More Effective Disease Monitoring
Authors: Schrader Anne , de Groen Ruben , Willemze Rein , Jansen Patty , Quint Koen , Cleven Arjen , van Wezel Tom , van Eijk Ronald , Ruano Dina , Veelken J. , Tensen Cornelis , Neelis Karen , Daniels Laurien , Hauben Esther , Woei-A-Jin F. , Busschots Anne-Marie , Vermeer Maarten , Vermaat Joost
Published: October 2022

Primary cutaneous diffuse large B-cell lymphoma, leg type (PCDLBCL-LT) is a rare, aggressive cutaneous lymphoma with a 5-year disease-specific survival of only ~55%. Despite high response rates to initial immune-polychemotherapy, most patients experience a disease relapse. The genetic evolution of primary and relapsed/refractory disease has only scarcely been studied in PCDLBCL-LT patients. Therefore, in this retrospective cohort study, 73 primary/pre-treatment and relapsed/refractory biopsies of 57 patients with PCDLBCL-LT were molecularly characterized with triple FISH and targeted next-generation sequencing for 52 B-cell-lymphoma-relevant genes, including paired analysis in 16 patients. In this cohort, 95% of patients harboured at least one of the three main driver alterations (mutations in MYD88/CD79B and/or CDKN2A-loss). In relapsed/refractory PCDLBCL-LT, these oncogenic aberrations were persistently present, demonstrating genetic stability over time. Novel alterations in relapsed disease affected mostly CDKN2A, MYC, and PIM1. Regarding survival, only MYC rearrangements and HIST1H1E mutations were statistically significantly associated with an inferior outcome. The stable presence of one or more of the three main driver alterations (mutated MYD88/CD79B and/or CDKN2A-loss) is promising for targeted therapies addressing these alterations and serves as a rationale for molecular-based disease monitoring, improving response evaluation and early identification and intervention of disease relapses in these poor-prognostic PCDLBCL-LT patients.
Squalamines in Blockade of Tumor-Associated Angiogenesis and Cancer Progression
Authors: Sterling Colin , Márquez-Garbán Diana , Vadgama Jaydutt , Pietras Richard
Published: October 2022

Mechanisms of action of squalamine in human vascular endothelial cells indicate that this compound attaches to cell membranes, potentially interacting with calmodulin, Na+/H+ exchanger isoform NHE3 and other signaling pathways involved in the angiogenic process. Thus, squalamine elicits blockade of VEGF-induced endothelial tube-like formation in vitro. Further, squalamine reduces growth of several preclinical models of human cancers in vivo and acts to stop metastatic tumor spread, actions due largely to blockade of angiogenesis induced by the tumor and tumor microenvironment. Squalamine in Phase I/II trials, alone or combined with standard care, shows promising antitumor activity with limited side-effects in patients with advanced solid cancers. Increased attention on squalamine regulation of signaling pathways with or without combination treatments in solid malignancies deserves further study.
DFT Investigations on the Ring-Opening Polymerization of Trimethylene Carbonate Catalysed by Heterocyclic Nitrogen Bases
Authors: Lalanne-Tisné Michael , Favrelle-Huret Audrey , Thielemans Wim , Prates Ramalho João P. , Zinck Philippe
Published: October 2022

Organocatalysts for polymerization have known a huge interest over the last two decades. Among them, heterocyclic nitrogen bases are widely used to catalyse the ring-opening polymerization (ROP) of heterocycles such as cyclic carbonates. We have investigated the ring-opening polymerization of trimethylene carbonate (TMC) catalysed by DMAP (4-dimethylaminopyridine) and TBD (1,5,7-triazabicyclo[4.4.0]dec-5-ene) as case studies in the presence of methanol as co-initiator by Density Functional Theory (DFT). A dual mechanism based on H-bond activation of the carbonyl moieties of the monomer and a basic activation of the alcohol co-initiator has been shown to occur more preferentially than a direct nucleophilic attack of the carbonate monomer by the heterocyclic nitrogen catalyst. The rate-determining step of the mechanism is the ring opening of the TMC molecule, which is slightly higher than the nucleophilic attack of the TMC carbonyl by the activated alcohol. The calculations also indicate TBD as a more efficient catalyst than DMAP. The higher energy barrier found for DMAP vs. TBD, 23.7 vs. 11.3 kcal·mol−1, is corroborated experimentally showing a higher reactivity for the latter.
Predicting Progression of Autosomal Dominant Polycystic Kidney Disease by Changes in the Telomeric Epigenome
Authors: Kocyigit Ismail , Taheri Serpil , Uysal Cihan , Memis Mehmet , Ozayturk Salih Guntug , Zararsiz Gokmen , Rassoulzadegan Minoo
Published: October 2022

Autosomal dominant polycystic kidney disease (ADPKD) is the most common inherited cause of chronic kidney disease with Polycystin (PKD) 1 and 2 gene mutation. However, the intra-familial variability in symptoms further suggests a non-Mendelian contribution to the disease. Our goal was to find a marker to track the epigenetic changes common to rapidly progressing forms of the disease. The risk of ADPKD increases with age, and aging shortens the telomere length (TL). Telomeres are a nucleoprotein structure composed mainly of three complexes, shelterin, CST and RNA-containing telomere repeat(TERRA), which protects the ends of chromosomes from degradation and fusion, and plays a role in maintaining cellular stability and in the repair of telomeric damage. TERRAs are transcribed from telomeric regions and a part of them is engaged in a DNA/RNA hybrid (R-loop) at each chromosome end. We tracked TL and TERRA levels in blood samples of 78 patients and 20 healthy control. Our study demonstrates that TL was shortened and TERRA expression levels in the DNA-attached fraction increased in autosomal dominant polycystic kidney patients with mutations in PKD1 and PKD2 compared to the control group. Moreover, it was observed that the expression of TERRA engaged in the R-loop was higher and the length of telomeres shorter in patients with ADPKD who showed rapid disease progression. Intrafamilial variation in TL and TERRA levels with the same mutation would indicate reliable epigenetic potential biomarkers in disease monitoring.
Monitoring NLRP3 Inflammasome Activation and Exhaustion in Clinical Samples: A Refined Flow Cytometry Protocol for ASC Speck Formation Measurement Directly in Whole Blood after Ex Vivo Stimulation
Authors: Coudereau Rémy , Gossez Morgane , Py Bénédicte F , Henry Thomas , Lukaszewicz Anne-Claire , Monneret Guillaume , Venet Fabienne
Published: October 2022

Alteration of NLRP3 inflammasome pathway including hyper-activation or exhaustion has been implicated in the pathophysiology of many diseases. Following cell stimulation, aggregation of the ASC protein into a multiprotein complex, the ASC speck, has been proposed as a specific read-out for monitoring NLRP3 inflammasome activation by flow cytometry in clinical samples. So far, only a few papers have described a technique to detect ASC speck formation directly in whole blood without any cell purification, and none included an ex vivo stimulation. The objective of this study was thus to develop a simple and shortened flow cytometry protocol to detect ASC speck formation directly in whole blood including an ex vivo stimulation step. We showed that after red blood cells lysis and removal of the LPS stimulation step, ASC speck formation can be detected in both monocytes and neutrophils from healthy donors directly in nigericin-stimulated whole blood samples. Using samples from four septic shock patients, we showed that this technique allows for the detection of NLRP3 inflammasome exhaustion in clinical samples. This novel shortened and simple whole blood protocol should facilitate day-to-day monitoring of NLRP3 inflammasome activation and exhaustion in both monocytes and neutrophils in clinical studies.
Incidence of Emergence Delirium in the Pediatric PACU: Prospective Observational Trial
Authors: Klabusayová Eva , Musilová Tereza , Fabián Dominik , Skříšovská Tamara , Vafek Václav , Kosinová Martina , Ťoukálková Michaela , Vrtková Adéla , Klučka Jozef , Štourač Petr
Published: October 2022

Emergence delirium (ED) is a postoperative complication in pediatric anesthesia characterized by perception and psychomotor disorder and has a negative impact on morbidity in the form of maladaptive behavior, which can last weeks after anesthesia. Patients with developed ED present with psychomotor anxiety, agitation, and are at higher risk of unintentional extraction of an intravenous cannula, self-harm and nausea and vomiting. The described incidence of ED varies between 25–80%, with a higher prevalence among children younger than 6 years of age. We aimed to determine the incidence of ED in pediatric patients (>1 month) after general anesthesia in the post-anesthesia care unit (PACU), using Paediatric Anaesthesia Emergence Delirium (PAED) score, Watcha score and Richmond agitation and sedation scale (RASS). The incidence of ED was the highest in the PAED score with cutoff ≥10 points (89.0%, n = 1088). When using PAED score >12 points, ED incidence was 19.3% (n = 236). The lowest incidence was described by Watcha and RASS scores, 18.8% (n = 230) vs. 18.1% (n = 221), respectively. The threshold for PAED ≥10 points seems to give false-positive results, whereas the threshold >12 points is more accurate. RASS scale, although intended primarily for estimation of the depth of sedation, seems to have a good predictive value for ED.
Special Issue “Smart IC Design and Sensing Technologies”
Authors: Floros George , Tziouvaras Athanasios
Published: October 2022

Smart sensing technologies and their inherent data-processing techniques have drawn considerable research and industrial attention in recent years. Recent developments in nanometer CMOS technologies have shown great potential to deal with the increasing demand of processing power that arises in these sensing technologies, from IoT applications to complicated medical devices. Moreover, circuit implementation, which could be based on a full analog or digital approach or, in most cases, on a mixed-signal approach, possesses a fundamental role in exploiting the full capabilities of sensing technologies. In addition, all circuit design methodologies include the optimization of several performance metrics, such as low power, low cost, small area, and high throughput, which impose critical challenges in the field of sensor design. This Special Issue aims to highlight advances in the development, modeling, simulation, and implementation of integrated circuits for sensing technologies, from the component level to complete sensing systems.
Cytotoxic Potential of Alternaria tenuissima AUMC14342 Mycoendophyte Extract: A Study Combined with LC-MS/MS Metabolic Profiling and Molecular Docking Simulation
Authors: Al Mousa Amal A. , Abouelela Mohamed E. , Hassane Abdallah M. A. , Al-Khattaf Fatimah S. , Hatamleh Ashraf A. , Alabdulhadi Hadeel S. , Dahmash Noura D. , Abo-Dahab Nageh F.
Published: October 2022

Breast, cervical, and ovarian cancers are among the most serious cancers and the main causes of mortality in females worldwide, necessitating urgent efforts to find newer sources of safe anticancer drugs. The present study aimed to evaluate the anticancer potency of mycoendophytic Alternaria tenuissima AUMC14342 ethyl acetate extract on HeLa (cervical cancer), SKOV-3 (ovarian cancer), and MCF-7 (breast adenocarcinoma) cell lines. The extract showed potent effect on MCF-7 cells with an IC50 value of 55.53 μg/mL. Cell cycle distribution analysis of treated MCF-7 cells revealed a cell cycle arrest at the S phase with a significant increase in the cell population (25.53%). When compared to control cells, no significant signs of necrotic or apoptotic cell death were observed. LC-MS/MS analysis of Alternaria tenuissima extract afforded the identification of 20 secondary metabolites, including 7-dehydrobrefeldin A, which exhibited the highest interaction score (−8.0156 kcal/mol) in molecular docking analysis against human aromatase. Regarding ADME pharmacokinetics and drug-likeness properties, 7-dehydrobrefeldin A, 4’-epialtenuene, and atransfusarin had good GIT absorption and water solubility without any violation of drug-likeness rules. These findings support the anticancer activity of bioactive metabolites derived from endophytic fungi and provide drug scaffolds and substitute sources for the future development of safe chemotherapy.
Water Pollution and Agriculture Pesticide
Authors: Rad Samira Mosalaei , Ray Ajay K. , Barghi Shahzad
Published: October 2022

The agricultural industry uses substantial amounts of water (the highest in the world) mostly for irrigation purposes. Rapid population growth and, consequently, growing demand for food have increased the use of pesticide to have higher yield for crops and other agricultural products. Wastewater generated as a result of excessive use of pesticides/herbicides in agricultural industry is becoming a global issue specifically in developing countries. Over 4,000,000 tons of pesticides are currently used in the world annually and high concentrations above their threshold limits have been detected in water bodies worldwide. The generated wastewater (contaminated with pesticides) has negative impacts on human health, the ecosystem, and the aquatic environment. Recently, biodegradable and biocompatible (including plant-based) pesticides have been introduced as green and safe products to reduce/eliminate the negative impacts of synthetic pesticides. Despite positive advantages of biopesticides, their use is limited due to cost and slow interaction with pests compared to chemical pesticides. Pesticides may also react with water and constituents of soil resulting in formation of intermediates having different physical and chemical properties. Diffusion, dispersion, and permeation are main mechanisms for transfer of pesticides in soil and water. Pesticides may degrade naturally in nature; however, the time requirement can be very long. Many mathematical models have been developed to simulate and estimate the final fate of pesticides in water resources. Development of new technologies and environmentally friendly pesticides to reduce water contamination is becoming increasingly important.
Experimental Study on Fatigue Performance of Welded Hollow Spherical Joints Reinforced by CFRP
Authors: Duan Yutong , Lei Honggang , Jin Shihong
Published: October 2022

The risk of fatigue failure of welded hollow spherical joints (WHSJs) under alternating loads increases due to the inherent defects, the disrepair, and the demand for tonnage upgrades, of suspension cranes. The finite element analysis results revealed that the ranking of the stress concentration factor at the WHSJ was as follows: weld toe in steel tube of tube–ball connection weld > weld toe in steel tube of tube–endplate connection weld > weld toe in sphere of tube–ball connection weld > weld toe in plate of tube–endplate connection weld. Moreover, the peak stress at the weld of the tube–sphere connection was reduced by 32.93% after CFRP bonding reinforcement, which was beneficial for improving the fatigue performance. In this study, 16 full-scale specimens of Q235B WHSJs were tested by an MTS fatigue testing machine to study the strengthening effect of CFRP on the fatigue performance. It was found that the fatigue fracture of WHSJs was transferred from the tube–sphere connection weld to the tube–endplate connection after CFRP reinforcement. According to the fitted S-N curves, the fatigue strength could be increased by 13.26%–18.19% when the cycle number increased from 10,000 to 5,000,000.
Magnetron Deposition of Cr Coatings with RF-ICP Assistance
Authors: Sidelev Dmitrii V. , Grudinin Vladislav A. , Zinkovskii Konstantin A. , Alkenova Kamila , Bleykher Galina A.
Published: October 2022

The article describes a comparative analysis of chromium coatings deposited by magnetron sputtering with and without ion assistance induced by a radiofrequency inductively coupled plasma (RF-ICP) source. Four series of 2 µm-thick Cr coatings were prepared, and then their cross-sectional microstructure, crystal structure and corrosion resistance were investigated by scanning and transmission electron microscopy, X-ray diffraction and a potentiodynamic polarization method. RF-ICP assistance led to significant enhancement (almost twofold) of ion current density in a substrate. The role of RF-ICP assistance in coating properties for planetary-rotated substrates was defined in terms of ion-to-atom ratio in particle flux entering a substrate. Calculations of particle and ion flux densities revealed an increase in ion-to-atom ratio from 0.18 to 1.43 and 0.11 to 0.84 in substrate positions distant from the magnetron sputtering systems depending on their design. RF-ICP assistance is beneficial for depositing dense Cr coatings with increased corrosion resistance in a 3.5 wt.% NaCl solution. The corrosion rate of AISI 321 steel can be decreased from 6.2 × 10−6 to 4.0 × 10−8 mm/year by deposition of the dense Cr coating.
Corrosion of Fe-Cr-Si Alloys in Oxidizing and Sulphidizing-Oxidizing Atmospheres
Authors: Li Wenbo , Xu Chenghao , Chen Ken , Liu Lanlan , Yang Haiyun , Cheng Qiao , Zeng Minyu
Published: October 2022

To clarify the mechanism of the third-element effect in sulphur-containing and sulphur-free oxidation environments, the corrosion behaviours of four kinds of Fe-xCr-ySi (x = 5, 10 at.% and y = 5, 10 at.%) alloys were studied at 600 °C in a H2-CO2 and a H2-CO2-H2S gaseous mixture with the same oxygen partial pressure. The results showed that, in the pure oxidizing atmosphere, thin and slowly growing protective oxide layers were formed on the alloys surfaces. Conversely, all alloys formed a corrosion product layer with an outer layer of FeS and an inner layer of a mix of oxides and sulphides in the oxidizing-sulphidizing atmosphere, which meant that adding Cr into the alloy as the third element had less of an effect on improving the alloy in the harsh sulphidizing-oxidizing environment. The oxidation and sulphidation mechanism as well as the effects of chromium and silicon on the corrosion resistance of the alloys was discussed.
Microstructure and Properties of TiAl Composite Coatings Prepared by Laser Cladding under Multi-Phase β0/CoAl2Ti Phase Strengthening
Authors: Zhu Yuming , Song Xiaojie , Ma Guoliang , Chen Hao , Jiang Di , Liu Minglei , Wang Quanzhi , Zhao Xiaofeng , Niu Hushan , Cui Hongzhi
Published: October 2022

Ceramic-reinforced TiAl matrix composite coatings are fabricated by laser cladding on Ti-6Al-4V (TC4) surfaces. The present work focuses on matching of the ceramic phase with the TiAl matrix to achieve a strength–toughness matching through the multi-scale multi-phase structure. The results indicated that the structure of composites coatings, including γ, α2, β0, CoAl2Ti, and TiC phases, significantly improved the properties of the composite coatings. The TiAl composite coating reached a maximum hardness of 741.17 Hv0.2, and the 10 at% tungsten carbide (10 WC) coating has the lowest wear volume of 8.8 × 107 μm3, the friction performance was approximate five times that of TC4. Detailed explanation of the friction properties and friction mechanism of the composite coating based on crystallographic orientation relationships and nanoindentation results. The study found that strength–toughness matching is important for the improvement of friction performance. Based on the TiAl alloy generated in the non-equilibrium solidification state in this paper, the solidification process and microstructure evolution are analyzed in detail.
Enhanced Pickering Emulsion Stabilization of Cellulose Nanocrystals and Application for Reinforced and Hydrophobic Coatings
Authors: Zhang Fan , Tao Haoran , Li Yilin , Wang Yanbing , Zhou Yingying , Xu Qunna , Ma Jianzhong
Published: October 2022

For oil-in-water (O/W) Pickering emulsions, a new polymer stabilizer of butyl acrylate (BA) grafted cellulose nanocrystals (BA-g-CNCS) has been developed. By adjusting the BA concentration, the hydrophilic and hydrophobic surfaces of BA-g-CNCs could be systematically modified based on the controllable interface activity. Specifically, the emulsification stability of the as-prepared stabilizer was examined as a function of BA content, BA-g-CNCS usage, and oil type. The results showed that the Pickering emulsion stabilized by BA-g-CNCS had a 98% volume fraction of emulsion with long-term stability. Importantly, BA-g-CNCS could be a promising choice for polymer stabilizers and could generate high internal phase Pickering emulsions without cross-linking when combined with 13% BA and 1.75% BA-g-CNCS. Furthermore, it was established that BA-g-CNCs possessed self-emulsifying quality, worked as hydrophobic coatings, and improved the mechanical properties. This was of fundamental interest to polymer stabilizer and functional coatings, allowing for promising applications in coating fields such as fabrics, leather, paper, controlled encapsulation, and the release of actives in material science.
Drop Impact onto a Substrate Wetted by Another Liquid: Flow in the Wall Film
Authors: Stumpf Bastian , Hussong Jeanette , Roisman Ilia V.
Published: October 2022

The impact of a drop onto a liquid film is relevant for many natural phenomena and industrial applications such as spray painting, inkjet printing, agricultural sprays, or spray cooling. In particular, the height of liquid remaining on the substrate after impact is of special interest for painting and coating but also for applications involving heat transfer from the wall. While much progress has been made in explaining the hydrodynamics of drop impact onto a liquid film of the same liquid, the physics of drop impact onto a wall film with different material properties is still not well understood. In this study, drop impact onto a very thin liquid film of another liquid is investigated. The thickness of the film remaining on a substrate after drop impact is measured using a chromatic-confocal line sensor. It is interesting that the residual film thickness does not depend on the initial thickness of the wall film, but strongly depends on its viscosity. A theoretical model for the flow in the drop and wall film is developed which accounts for the development of viscous boundary layers in both liquids. The theoretical predictions agree well with the experimental data.
Quasi-In Situ EBSD Study of Anisotropic Mechanical Behavior and Associated Microstructure Evolution in Zircaloy-4
Authors: Sun Huanzheng , Zhang Yan , Sun Chao , Li Bingcheng , Zhu Xiaoyong , Sun Yihong , Luan Baifeng
Published: October 2022

The anisotropic mechanical behavior and associated microstructure evolution in annealed Zircaloy-4 were investigated at room temperature, using quasi-in situ tensile tests along the typical direction, rolling direction (RD), and transverse direction (TD). Herein, the in-grain misorientation axes (IGMA) and the nominal Schmid factors were evaluated to analyze the slip mode based on the electron backscatter diffraction. The IGMA result shows that there were anisotropic slip modes within grains, whose basal poles were parallel with the TD (TB) and placed within 40 to 50 degrees from the normal direction (ND) to the transverse direction (N (40°–50°) TB)), under different loading directions. When loading along the RD, the basal  slips were activated in the N (40°–50°) TB and TB orientation grains, while the second-order pyramidal slips were activated in the grains when loading along the TD. The relatively higher ultimate tensile strength and elongation in Zircaloy-4 when tensile along RD occurs due to its much higher frequency of soft grains (88.54%) than the TD sample (64.29%), and the synergy deformation among local grains. The present study demonstrated that the anisotropic mechanical behavior of Zircaloy-4 was attributed to the combined effects that exist between the anisotropic slip behavior and the different compatible deformation capabilities. Many shallow dimples and cleavage regions were observed on the fracture surface in the TD sample. Such fracture features are consistent with the lower ultimate tensile strength ~470 MPa and elongation ~14.5% in the deformed tensile Zircaloy-4 along the TD.
Band Alignments of GeS and GeSe Materials
Authors: Grodzicki Miłosz , Tołłoczko Agata K. , Majchrzak Dominika , Hommel Detlef , Kudrawiec Robert
Published: October 2022

Here we present new findings of a comprehensive study of the fundamental physicochemical properties for GeS and GeSe in bulk form. UV and X-ray photoelectron spectroscopies (UPS/XPS) were employed for the experiments, which were carried out on in situ cleaned (100) surfaces free from contamination. This allowed to obtain reliable results, also unchanged by effects related to charging of the samples. The work functions, electron affinities and ionization energies as well as core level lines were found. The band gaps of the investigated materials were determined by photoreflectance and optical absorption methods. As a result, band energy diagrams relative to the vacuum level for GeS and GeSe were constructed. The diagrams provide information about the valence and conduction band offsets, crucial for the design of various electronic devices and semiconducting heterostructures.
Low Arousal Threshold Estimation Predicts Failure of Mandibular Advancement Devices in Obstructive Sleep Apnea Syndrome
Authors: Antonaglia Caterina , Vidoni Gabriele , Contardo Luca , Giudici Fabiola , Salton Francesco , Ruaro Barbara , Confalonieri Marco , Caneva Martina
Published: October 2022

Introduction: The treatment of choice for obstructive sleep apnea syndrome (OSAS) is continuous positive airway pressure (CPAP). However, CPAP is usually poorly tolerated and mandibular advancement devices (MADs) are an alternative innovative therapeutic approach. Uncertainty still remains as to the most suitable candidates for MAD. Herein, it is hypothesized that the presence of low arousal threshold (low ArTH) could be predictive of MAD treatment failure. Methods: A total of 32 consecutive patients, with OSAS of any severity, who preferred an alternate therapy to CPAP, were treated with a tailored MAD aimed at obtaining 50% of their maximal mandibular advancement. Treatment response after 6 months of therapy was defined as AHI < 5 events per hour or a reduction of AHI ≥ 50% from baseline. Low ArTH was predicted based on the following polysomnography features, as previously shown by Edwards et al.: an AHI of 82.5% and a hypopnea fraction of total respiratory events of >58.3%. Results: There were 25 (78.1%) responders (p-value < 0.01) at 6 months. Thirteen patients (40.6%) in the non-severe group reached AHI lower than 5 events per hour. MAD treatment significantly reduced the median AHI in all patients from a median value of 22.5 to 6.5 (74.7% of reduction, p-value < 0.001). The mandibular advancement device reduced AHI, whatever the disease severity. A significant higher reduction of Delta AHI, after 6 months of treatment, was found for patients without low ArTH. Conclusions: Low ArTH at baseline was associated with a poorer response to MAD treatment and a lower AHI reduction at 6 months. A non-invasive assessment of Low ArTH can be performed through the Edwards’ score, which could help to identify an endotype with a lower predicted response to oral appliances in a clinical setting.