bluuebunny/crossref_metadata_2025 huggingface dataset:
Pathological Features in Paediatric Patients with TK2 Deficiency
Authors: Jou Cristina , Nascimento Andres , Codina Anna , Montoya Julio , López-Gallardo Ester , Emperador Sonia , Ruiz-Pesini Eduardo , Montero Raquel , Natera-de Benito Daniel , Ortez Carlos I. , Marquez Jesus , Zelaya Maria V. , Gutierrez-Mata Alfonso , Badosa Carmen , Carrera-García Laura , Expósito-Escudero Jesica , Roldán Monica , Camara Yolanda , Marti Ramon , Ferrer Isidre , Jimenez-Mallebrera Cecilia , Artuch Rafael
Published: September 2022

Thymidine kinase (TK2) deficiency causes mitochondrial DNA depletion syndrome. We aimed to report the clinical, biochemical, genetic, histopathological, and ultrastructural features of a cohort of paediatric patients with TK2 deficiency. Mitochondrial DNA was isolated from muscle biopsies to assess depletions and deletions. The TK2 genes were sequenced using Sanger sequencing from genomic DNA. All muscle biopsies presented ragged red fibres (RRFs), and the prevalence was greater in younger ages, along with an increase in succinate dehydrogenase (SDH) activity and cytochrome c oxidase (COX)-negative fibres. An endomysial inflammatory infiltrate was observed in younger patients and was accompanied by an overexpression of major histocompatibility complex type I (MHC I). The immunofluorescence study for complex I and IV showed a greater number of fibres than those that were visualized by COX staining. In the ultrastructural analysis, we found three major types of mitochondrial alterations, consisting of concentrically arranged lamellar cristae, electrodense granules, and intramitochondrial vacuoles. The pathological features in the muscle showed substantial differences in the youngest patients when compared with those that had a later onset of the disease. Additional ultrastructural features are described in the muscle biopsy, such as sarcomeric de-structuration in the youngest patients with a more severe phenotype.
Target-Specific Machine Learning Scoring Function Improved Structure-Based Virtual Screening Performance for SARS-CoV-2 Drugs Development
Authors: Tahir ul Qamar Muhammad , Zhu Xi-Tong , Chen Ling-Ling , Alhussain Laila , Alshiekheid Maha A. , Theyab Abdulrahman , Algahtani Mohammad
Published: September 2022

Leveraging machine learning has been shown to improve the accuracy of structure-based virtual screening. Furthermore, a tremendous amount of empirical data is publicly available, which further enhances the performance of the machine learning approach. In this proof-of-concept study, the 3CLpro enzyme of SARS-CoV-2 was used. Structure-based virtual screening relies heavily on scoring functions. It is widely accepted that target-specific scoring functions may perform more effectively than universal scoring functions in real-world drug research and development processes. It would be beneficial to drug discovery to develop a method that can effectively build target-specific scoring functions. In the current study, the bindingDB database was used to retrieve experimental data. Smina was utilized to generate protein-ligand complexes for the extraction of InteractionFingerPrint (IFP) and SimpleInteractionFingerPrint SIFP fingerprints via the open drug discovery tool (oddt). The present study found that randomforestClassifier and randomforestRegressor performed well when used with the above fingerprints along the Molecular ACCess System (MACCS), Extended Connectivity Fingerprint (ECFP4), and ECFP6. It was found that the area under the precision-recall curve was 0.80, which is considered a satisfactory level of accuracy. In addition, our enrichment factor analysis indicated that our trained scoring function ranked molecules correctly compared to smina’s generic scoring function. Further molecular dynamics simulations indicated that the top-ranked molecules identified by our developed scoring function were highly stable in the active site, supporting the validity of our developed process. This research may provide a template for developing target-specific scoring functions against specific enzyme targets.
Effects of Cigarette Smoke Exposure on the Gut Microbiota and Liver Transcriptome in Mice Reveal Gut–Liver Interactions
Authors: Meng Lei , Xu Mengjun , Xing Youwen , Chen Chen , Jiang Jiandong , Xu Xihui
Published: September 2022

Cigarette smoke exposure has a harmful impact on health and increases the risk of disease. However, studies on cigarette-smoke-induced adverse effects from the perspective of the gut–liver axis are lacking. In this study, we evaluated the adverse effects of cigarette smoke exposure on mice through physiological, biochemical, and histopathological analyses and explored cigarette-smoke-induced gut microbiota imbalance and changes in liver gene expression through a multiomics analysis. We demonstrated that cigarette smoke exposure caused abnormal physiological indices (including reduced body weight, blood lipids, and food intake) in mice, which also triggered liver injury and induced disorders of the gut microbiota and liver transcriptome (especially lipid metabolism). A significant correlation between intestinal bacterial abundance and the expression of lipid-metabolism-related genes was detected, suggesting the coordinated regulation of lipid metabolism by gut microbiota and liver metabolism. Specifically, Salmonella (harmful bacterium) was negatively and positively correlated with up- (such as Acsl3 and Me1) and downregulated genes (such as Angptl4, Cyp4a12a, and Plin5) involved in lipid metabolism, while Ligilactobacillus (beneficial bacterium) showed opposite trends with these genes. Our results clarified the key role of gut microbiota in liver damage and metabolism and improved the understanding of gut–liver interactions caused by cigarette smoke exposure.
Copper (I) or (II) Replacement of the Structural Zinc Ion in the Prokaryotic Zinc Finger Ros Does Not Result in a Functional Domain
Authors: Dragone Martina , Grazioso Rinaldo , D’Abrosca Gianluca , Baglivo Ilaria , Iacovino Rosa , Esposito Sabrina , Paladino Antonella , Pedone Paolo V. , Russo Luigi , Fattorusso Roberto , Malgieri Gaetano , Isernia Carla
Published: September 2022

A strict interplay is known to involve copper and zinc in many cellular processes. For this reason, the results of copper’s interaction with zinc binding proteins are of great interest. For instance, copper interferences with the DNA-binding activity of zinc finger proteins are associated with the development of a variety of diseases. The biological impact of copper depends on the chemical properties of its two common oxidation states (Cu(I) and Cu(II)). In this framework, following the attention addressed to unveil the effect of metal ion replacement in zinc fingers and in zinc-containing proteins, we explore the effects of the Zn(II) to Cu(I) or Cu(II) replacement in the prokaryotic zinc finger domain. The prokaryotic zinc finger protein Ros, involved in the horizontal transfer of genes from A. tumefaciens to a host plant infected by it, belongs to a family of proteins, namely Ros/MucR, whose members have been recognized in different bacteria symbionts and pathogens of mammals and plants. Interestingly, the amino acids of the coordination sphere are poorly conserved in most of these proteins, although their sequence identity can be very high. In fact, some members of this family of proteins do not bind zinc or any other metal, but assume a 3D structure similar to that of Ros with the residues replacing the zinc ligands, forming a network of hydrogen bonds and hydrophobic interactions that surrogates the Zn-coordinating role. These peculiar features of the Ros ZF domain prompted us to study the metal ion replacement with ions that have different electronic configuration and ionic radius. The protein was intensely studied as a perfectly suited model of a metal-binding protein to study the effects of the metal ion replacement; it appeared to tolerate the Zn to Cd substitution, but not the replacement of the wildtype metal by Ni(II), Pb(II) and Hg(II). The structural characterization reported here gives a high-resolution description of the interaction of copper with Ros, demonstrating that copper, in both oxidation states, binds the protein, but the replacement does not give rise to a functional domain.
Galectins—Potential Therapeutic Targets for Neurodegenerative Disorders
Authors: Chaudhary Sapana , Chaudhary Sameer , Rawat Sakshi , Kulkarni Archana , Bilgrami Anwar L. , Perveen Asma , Alghamdi Badrah S. , Zughaibi Torki Al , Ashraf Ghulam Md , Alam Mohammad Zubair , Hussain Tabish
Published: September 2022

Advancements in medicine have increased the longevity of humans, resulting in a higher incidence of chronic diseases. Due to the rise in the elderly population, age-dependent neurodegenerative disorders are becoming increasingly prevalent. The available treatment options only provide symptomatic relief and do not cure the underlying cause of the disease. Therefore, it has become imperative to discover new markers and therapies to modulate the course of disease progression and develop better treatment options for the affected individuals. Growing evidence indicates that neuroinflammation is a common factor and one of the main inducers of neuronal damage and degeneration. Galectins (Gals) are a class of β-galactoside-binding proteins (lectins) ubiquitously expressed in almost all vital organs. Gals modulate various cellular responses and regulate significant biological functions, including immune response, proliferation, differentiation, migration, and cell growth, through their interaction with glycoproteins and glycolipids. In recent years, extensive research has been conducted on the Gal superfamily, with Gal-1, Gal-3, and Gal-9 in prime focus. Their roles have been described in modulating neuroinflammation and neurodegenerative processes. In this review, we discuss the role of Gals in the causation and progression of neurodegenerative disorders. We describe the role of Gals in microglia and astrocyte modulation, along with their pro- and anti-inflammatory functions. In addition, we discuss the potential use of Gals as a novel therapeutic target for neuroinflammation and restoring tissue damage in neurodegenerative diseases.
Controlling of Photophysical Behavior of Rhenium(I) Complexes with 2,6-Di(thiazol-2-yl)pyridine-Based Ligands by Pendant π-Conjugated Aryl Groups
Authors: Maroń Anna M. , Palion-Gazda Joanna , Szłapa-Kula Agata , Schab-Balcerzak Ewa , Siwy Mariola , Sulowska Karolina , Maćkowski Sebastian , Machura Barbara
Published: September 2022

The structure–property correlations and control of electronic excited states in transition metal complexes (TMCs) are of high significance for TMC-based functional material development. Within these studies, a series of Re(I) carbonyl complexes with aryl-substituted 2,6-di(thiazol-2-yl)pyridines (Arn-dtpy) was synthesized, and their ground- and excited-state properties were investigated. A number of condensed aromatic rings, which function as the linking mode of the aryl substituent, play a fundamental role in controlling photophysics of the resulting [ReCl(CO)3(Arn-dtpy-κ2N)]. Photoexcitation of [ReCl(CO)3(Arn-dtpy-κ2N)] with 1-naphthyl-, 2-naphthyl-, 9-phenanthrenyl leads to the population of 3MLCT. The lowest triplet state of Re(I) chromophores bearing 9-anthryl, 2-anthryl, 1-pyrenyl groups is ligand localized. The rhenium(I) complex with appended 1-pyrenyl group features long-lived room temperature emission attributed to the equilibrium between 3MLCT and 3IL/3ILCT. The excited-state dynamics in complexes [ReCl(CO)3(9-anthryl-dtpy-κ2N)] and [ReCl(CO)3(2-anthryl-dtpy-κ2N)] is strongly dependent on the electronic coupling between anthracene and {ReCl(CO)3(dtpy-κ2N)}. Less steric hindrance between the chromophores in [ReCl(CO)3(2-anthryl-dtpy-κ2N)] is responsible for the faster formation of 3IL/3ILCT and larger contribution of 3ILCTanthracene→dtpy in relation to the isomeric complex [ReCl(CO)3(9-anthryl-dtpy-κ2N)]. In agreement with stronger electronic communication between the aryl and Re(I) coordination centre, [ReCl(CO)3(2-anthryl-dtpy-κ2N)] displays room-temperature emission contributed to by 3MLCT and 3ILanthracene/3ILCTanthracene→dtpy phosphorescence. The latter presents rarely observed phenomena in luminescent metal complexes.
Equipped for Sexual Stings? Male-Specific Venom Peptides in Euscorpius italicus
Authors: Krämer Jonas , Pommerening Ricardo , Predel Reinhard
Published: September 2022

In the animal kingdom, intraspecific variation occurs, for example, between populations, different life stages, and sexes. For venomous animals, this can involve differences in their venom composition. In cases where venom is utilized in the context of mating, the differences in composition might be driven by sexual selection. In this regard, the genus Euscorpius is a promising group for further research, as some of these scorpions exhibit a distinct sexual dimorphism and are known to perform a sexual sting during mating. However, the venom composition of this genus remains largely unexplored. Here, we demonstrate that Euscorpius italicus exhibits a male-specific venom composition, and we identify a large fraction of the substances involved. The sex specificity of venom peptides was first determined by analyzing the presence/absence patterns of ion signals in MALDI-TOF mass spectra of venom samples from both sexes and juveniles. Subsequently, a proteo-transcriptomic analysis provided sequence information on the relevant venom peptides and their corresponding precursors. As a result, we show that several potential toxin precursors are down-regulated in male venom glands, possibly to reduce toxic effects caused to females during the sexual sting. We have identified the precursor of one of the most prominent male-specific venom peptides, which may be an ideal candidate for activity tests in future studies. In addition to the description of male-specific features in the venom of E. italicus, this study also includes a general survey of venom precursors in this species.
Anticancer Therapeutic Strategies Targeting p53 Aggregation
Authors: Ferretti Giulia D. S. , Quarti Julia , dos Santos Gileno , Rangel Luciana P. , Silva Jerson L.
Published: September 2022

p53 is a tumor suppressor protein that is mutated in more than 50% of cancer cases. When mutated, it frequently results in p53 oncogenic gain of function (GOF), resulting in a greater tendency to aggregate in the phase separation and phase transition pathway. GOFs related to p53 aggregation include chemoresistance, which makes therapy even more difficult. The therapies available for the treatment of cancer are still quite limited, so the study of new molecules and therapeutic targets focusing on p53 aggregates is a promising strategy against cancer. In this review, we classify anticancer molecules with antiaggregation properties into four categories: thiol alkylating agents, designed peptides, agents with chaperone-based mechanisms that inhibit p53 aggregation, and miscellaneous compounds with anti-protein aggregation properties that have been studied in neurodegenerative diseases. Furthermore, we highlight autophagy as a possible degradation pathway for aggregated p53. Here, considering cancer as a protein aggregation disease, we review strategies that have been used to disrupt p53 aggregates, leading to cancer regression.
High-Resolution Conformational Analysis of RGDechi-Derived Peptides Based on a Combination of NMR Spectroscopy and MD Simulations
Authors: Acconcia Clementina , Paladino Antonella , Valle Maria della , Farina Biancamaria , Del Gatto Annarita , Gaetano Sonia Di , Capasso Domenica , Gentile Maria Teresa , Malgieri Gaetano , Isernia Carla , Saviano Michele , Fattorusso Roberto , Zaccaro Laura , Russo Luigi
Published: September 2022

The crucial role of integrin in pathological processes such as tumor progression and metastasis formation has inspired intense efforts to design novel pharmaceutical agents modulating integrin functions in order to provide new tools for potential therapies. In the past decade, we have investigated the biological proprieties of the chimeric peptide RGDechi, containing a cyclic RGD motif linked to an echistatin C-terminal fragment, able to specifically recognize αvβ3 without cross reacting with αvβ5 and αIIbβ3 integrin. Additionally, we have demonstrated using two RGDechi-derived peptides, called RGDechi1-14 and ψRGDechi, that chemical modifications introduced in the C-terminal part of the peptide alter or abolish the binding to the αvβ3 integrin. Here, to shed light on the structural and dynamical determinants involved in the integrin recognition mechanism, we investigate the effects of the chemical modifications by exploring the conformational space sampled by RGDechi1-14 and ψRGDechi using an integrated natural-abundance NMR/MD approach. Our data demonstrate that the flexibility of the RGD-containing cycle is driven by the echistatin C-terminal region of the RGDechi peptide through a coupling mechanism between the N- and C-terminal regions.
Endometrial Cells Acutely Exposed to Phthalates In Vitro Do Not Phenocopy Endometriosis
Authors: Gonzalez-Martin Roberto , Palomar Andrea , Medina-Laver Yassmin , Quiñonero Alicia , Domínguez Francisco
Published: September 2022

Environmental factors that have been linked to an increased endometriosis risk include exposure to di-(2-ethylhexyl)-phthalate (DEHP), an endocrine disruptor. This study aims to investigate whether DEHP in vitro exposure in primary endometrial stromal cells (EnSC), primary endometrial epithelial cells (EnEC), and the human endometrial adenocarcinoma cell line Ishikawa properly mimics alterations described in the eutopic endometrium of women with endometriosis. Primary EnSC and EnEC, isolated from six fertile egg donors, and Ishikawa cells were exposed to DEHP (0.1, 1, and 10 µM) and were assessed for viability, endometriosis markers (IL-6, VEGF-A, HOXA10, EZH2, and LSD1), steroid receptor gene expressions (ER-1, ER-2, PR-T, PR-B, and PGRMC1), and invasive capacity. Viability after 72 h of DEHP exposure was not significantly affected. None of the endometriosis markers studied were altered after acute DEHP exposure, nor was the expression of steroid receptors. The invasive capacity of EnSC was significantly increased after 10 µM of DEHP exposure. In conclusion, acute DEHP exposure in primary endometrial cells does not fully phenocopy the changes in the viability, expression of markers, or steroidal receptors described in endometriosis. However, the significant increase in EnSC invasiveness observed after DEHP exposure could be a link between DEHP exposure and increased endometriosis likelihood.
Whole Transcriptome Analyses of Apricots and Japanese Plum Fruits after 1-MCP (Ethylene-Inhibitor) and Ethrel (Ethylene-Precursor) Treatments Reveal New Insights into the Physiology of the Ripening Process
Authors: Salazar Juan A. , Ruiz David , Zapata Patricio , Martínez-García Pedro J. , Martínez-Gómez Pedro
Published: September 2022

The physiology of Prunus fruit ripening is a complex and not completely understood process. To improve this knowledge, postharvest behavior during the shelf-life period at the transcriptomic level has been studied using high-throughput sequencing analysis (RNA-Seq). Monitoring of fruits has been analyzed after different ethylene regulator treatments, including 1-MCP (ethylene-inhibitor) and Ethrel (ethylene-precursor) in two contrasting selected apricot (Prunus armeniaca L.) and Japanese plum (P. salicina L.) cultivars, ‘Goldrich’ and ‘Santa Rosa’. KEEG and protein–protein interaction network analysis unveiled that the most significant metabolic pathways involved in the ripening process were photosynthesis and plant hormone signal transduction. In addition, previously discovered genes linked to fruit ripening, such as pectinesterase or auxin-responsive protein, have been confirmed as the main genes involved in this process. Genes encoding pectinesterase in the pentose and glucuronate interconversions pathway were the most overexpressed in both species, being upregulated by Ethrel. On the other hand, auxin-responsive protein IAA and aquaporin PIP were both upregulated by 1-MCP in ‘Goldrich’ and ‘Santa Rosa’, respectively. Results also showed the upregulation of chitinase and glutaredoxin 3 after Ethrel treatment in ‘Goldrich’ and ‘Santa Rosa’, respectively, while photosystem I subunit V psaG (photosynthesis) was upregulated after 1-MCP in both species. Furthermore, the overexpression of genes encoding GDP-L-galactose and ferredoxin in the ascorbate and aldarate metabolism and photosynthesis pathways caused by 1-MCP favored antioxidant activity and therefore slowed down the fruit senescence process.
Semantic Annotation of Legal Contracts with ContrattoA
Authors: Soavi Michele , Zeni Nicola , Mylopoulos John , Mich Luisa
Published: September 2022

The aim of the research is to semi-automate the process of generating formal specifications from legal contracts in natural language text form. Towards this end, the paper presents a tool, named ContrattoA, that semi-automatically conducts semantic annotation of legal contract text using an ontology for legal contracts. ContrattoA was developed through two iterations where lexical patterns were defined for legal concepts and their effectiveness was evaluated with experiments. The first iteration was based on a handful of sample contracts and resulted in defining lexical patterns for recognizing concepts in the ontology; these were evaluated with an empirical study where one group of subjects was asked to annotate legal text manually, while a second group edited the annotations generated by ContrattoA. The second iteration focused on the lexical patterns for the core contract concepts of obligation and power where results of the first iteration were mixed. On the basis of an extended set of sample contracts, new lexical patterns were derived and those were shown to substantially improve the performance of ContrattoA, nearing in quality the performance of experts. The experiments suggest that good quality annotations can be generated for a broad range of contracts with minor refinements to the lexical patterns.
Efficacy of Dust and Wettable Powder Formulation of Diatomaceous Earth (Detech®) in the Control of Tyrophagus putrescentiae (Schrank) (Acari: Acaridae)
Authors: Kılıç Nihal
Published: September 2022

Tyrophagus putrescentiae (Schrank) (Acari: Acaridae) is a cosmopolite mite species commonly in found food and stored products. In this study, the acaricidal activity of two Turkish diatomaceous earth (DE) formulations (Detech® WP95 and Detech® Dust) were applied on a concrete surface at five different concentrations (1, 2.5, 5, 7.5, and 10 g/m2) and dead individuals were counted at 11 different time intervals (1, 3, 6, 9, 12, 15, 18, 21, 24, 27, and 30 h) at a temperature of 25 ± 1 °C and 75 ± 5% relative humidity (RH). Mite mortalities were observed after 6- and 18-hour exposure periods at all concentrations of dust and wettable powder (WP) formulations, respectively. Specifically, 100% mortality for the WP formulation was achieved at the highest concentration of 10 g/m2 after 15 h of exposure and after 27 h and 30 h for the lowest concentration. In the case of dust formulation, mortalities were observed after 3 h of exposure at all concentrations except at 1 g/m2, while a 100% mortality rate was achieved after 21 h of exposure to all concentrations and after 18 h of exposure for 7.5 g/m2 and 10 g/m2. This study indicates that both WP and dust formulations of local diatomaceous earth can cause 100% mortality in 24 h on average and can be a promising alternative to conventional chemical acaricides.
Accuracy of Segmented Le Fort I Osteotomy with Virtual Planning in Orthognathic Surgery Using Patient-Specific Implants: A Case Series
Authors: Rios Olina , Lerhe Barbara , Chamorey Emmanuel , Savoldelli Charles
Published: September 2022

Background: When maxillary transversal expansion is needed, two protocols of treatment can be used: a maxillary orthodontic expansion followed by a classical bimaxillary osteotomy or a bimaxillary osteotomy with maxillary segmentation. The aim of this study was to assess the accuracy of segmented Le Fort I osteotomy using computer-aided orthognathic surgery and patient-specific titanium plates in patients who underwent a bimaxillary osteotomy for occlusal trouble with maxillary transversal insufficiencies. Methods: A virtual simulation of a Le Fort I osteotomy with maxillary segmentation, a sagittal split ramus osteotomy, and genioplasty (if needed) was conducted on a preoperative three-dimensional (3D) model of each patient’s skull using ProPlan CMF 3.0 software (Materialise, Leuven, Belgium). Computer-assisted osteotomy saw-and-drill guides and patient-specific implants (PSIs, titanium plates) were produced and used during the surgery. We chose to focus on the maxillary repositioning accuracy by comparing the preoperative virtual surgical planning and the postoperative 3D outcome skulls using surface superimpositions and 13 standard dental and bone landmarks. Errors between these preoperative and postoperative landmarks were calculated and compared to discover if segmental maxillary repositioning using PSIs was accurate enough to be safely used to treat transversal insufficiencies. Results: A total of 22 consecutive patients—15 females and 7 males, with a mean age of 27.4 years—who underwent bimaxillary computer-assisted orthognathic surgery with maxillary segmentation were enrolled in the study. All patients presented with occlusion trouble, 13 with Class III malocclusions (59%) and 9 (41%) with Class II malocclusions. A quantitative analysis revealed that, overall, the mean absolute discrepancies for the x-axis (transversal dimension), y-axis (anterior–posterior dimensions), and z-axis (vertical dimension) were 0.59 mm, 0.74 mm, and 0.56 mm, respectively. The total error rate of maxillary repositioning was 0.62 mm between the postoperative cone-beam computed tomography (CBCT) and the preoperatively planned 3D skull. According to the literature, precision in maxilla repositioning is defined by an error rate (clinically relevant) at each landmark of <2 mm and a total error of <2 mm for each patient. Conclusions: A high degree of accuracy between the virtual plan and the postoperative result was observed.
Automated Complete Blood Cell Count Using Sysmex XN-9000® in the Diagnosis of Newborn Infection
Authors: Wettin Nils , Drogies Tim , Kühnapfel Andreas , Isermann Berend , Thome Ulrich Herbert
Published: September 2022

The early identification of septically infected newborn infants is important for ensuring good outcomes. Blood cell differentiations are helpful, but they are often time consuming and inaccurate. In this study, we evaluated the use of automatic white blood cell differentiations by flow cytometry for the diagnosis of neonatal sepsis. Episodes of suspected infection in neonates were retrospectively classified into two groups, unlikely infection (UI, levels of Interleukin-6 < 400 pg/mL or CRP within 48 h < 10 mg/L), n = 101 and probable infection (PI, Interleukin-6 ≥ 400 pg/mL or CRP within 48 h ≥ 10 mg/L), n = 98. Complete blood cell counts were performed by Sysmex XN-9000® using flow cytometry. Relative and absolute proportions of immature granulocytes were evaluated. Unexpectedly, the absolute count of immature granulocytes was significantly lower in the group of PI compared to UI neonates. Similar results were found when analysing the relative proportion of immature granulocytes among all neutrophil granulocytes. On the other hand, manually counted immature to total (I/T) ratios of granulocytes were higher in PI than in UI infants. Therefore, we conclude that differentiations of granulocytes by Sysmex XN-9000® can be used to distinguish between infected and uninfected neonates if the results are interpreted according to our findings. A low count of immature granulocytes as determined by Sysmex XN-9000® may indicate neonatal infection.
Validation of a Novel Patient Specific CT-Morphometric Technique for Quantifying Bone Graft Resorption Following the Latarjet Procedure
Authors: Francis-Pester Fraser W. , Waltenspül Manuel , Wieser Karl , Hoy Greg , Ek Eugene T. , Ackland David C. , Ernstbrunner Lukas
Published: September 2022

Bone graft resorption following the Latarjet procedure has received considerable concern. Current methods quantifying bone graft resorption rely on two-dimensional (2D) CT-scans or three-dimensional (3D) techniques, which do not represent the whole graft volume/resorption (i.e., 2D assessment) or expose patients to additional radiation (i.e., 3D assessment) as this technique relies on early postoperative CT-scans. The aim of the present study was to develop and validate a patient-specific, CT-morphometric technique combining image registration with 3D CT-reconstruction to quantify bone graft resorption following the Latarjet procedure for recurrent anterior shoulder instability. Pre-operative and final follow-up CT-scans were segmented to digitally reconstruct 3D scapula geometries. A virtual Latarjet procedure was then conducted to model the timepoint-0 graft volume, which was compared with the final follow-up graft volume. Graft resorption at final follow-up was highly correlated to the 2D gold standard-technique by Zhu (Kendall tau coefficient = 0.73; p < 0.001). The new technique was also found to have excellent inter- and intra-rater reliability (ICC values, 0.931 and 0.991; both p < 0.001). The main finding of this study is that the technique presented is a valid and reliable method that provides the advantage of 3D-assessment of graft resorption at long-term follow-up without the need of an early postoperative CT-scan.
A Big Five-Based Multimethod Social and Emotional Skills Assessment: The Mosaic™ by ACT® Social Emotional Learning Assessment
Authors: Walton Kate E. , Burrus Jeremy , Murano Dana , Anguiano-Carrasco Cristina , Way Jason , Roberts Richard D.
Published: September 2022

A focus on implementing social and emotional (SE) learning into curricula continues to gain popularity in K-12 educational contexts at the policy and practitioner levels. As it continues to be elevated in educational discourse, it becomes increasingly clear that it is important to have reliable, validated measures of students’ SE skills. Here we argue that framework and design are additional important considerations for the development and selection of SE skill assessments. We report the reliability and validity evidence for The Mosaic™ by ACT® Social Emotional Learning Assessment, an assessment designed to measure SE skills in middle and high school students that makes use of a research-based framework (the Big Five) and a multi-method approach (three item types including Likert, forced choice, and situational judgment tests). Here, we provide the results from data collected from more than 33,000 students who completed the assessment and for whom we have data on various outcome measures. We examined the validity evidence for the individual item types and the aggregate scores based on those three. Our findings support the contribution of multi-method assessment and an aggregate score. We discuss the ways the field can benefit from this or similarly designed assessments and discuss how the assessment results can be used by practitioners to promote programs aimed at stimulating students’ personal growth.
Turbulent Eddy Generation for the CFD Analysis of Hydrokinetic Turbines
Authors: Gregori Matteo , Salvatore Francesco , Camussi Roberto
Published: September 2022

This paper presents a novel theoretical and computational methodology for the generation of an onset turbulent field with prescribed properties in the numerical simulation of an arbitrary viscous flow. The methodology is based on the definition of a suitable distribution of volume force terms in the right-hand side of the Navier–Stokes equations. The distribution is represented by harmonic functions that are randomly variable in time and space. The intensity of the distribution is controlled by a simple PID strategy in order to obtain that the generated turbulent flow matches a prescribed turbulence intensity. A further condition is that a homogeneous isotropic flow is established downstream of the region where volume force terms are imposed. Although it is general, the proposed methodology is primarily intended for the computational modelling of hydrokinetic turbines in turbulent flows representative of tidal or riverine installations. A first numerical application is presented by considering the injection of homogeneous and isotropic turbulence with 16% intensity into a uniform unbounded flow. The analysis of statistical properties as auto-correlation, power spectral density, probability density functions, demonstrates that the generated flow tends to achieve satisfactory levels of stationarity and isotropy, whereas the simple control strategy used determines underestimated turbulent intensity levels.
Effect of Agricultural By-Products as a Carbon Source in a Biofloc-Based System on Growth Performance, Digestive Enzyme Activities, Hepatopancreas Histology, and Gut Bacterial Load of Litopenaeus vannamei Post Larvae
Authors: Mansour Abdallah Tageldein , Ashry Ola A. , El-Neweshy Mahmoud S. , Alsaqufi Ahmed Saud , Dighiesh Hagar S. , Ashour Mohamed , Kelany Mahmoud S. , El-Sawy Mohamed A. , Mabrouk Mohamed M. , Abbas Eman M. , Sharawy Zaki Z.
Published: September 2022

The present study evaluated the influence of different commercial agricultural by-products as a carbon source in a bifloc-based (BFT) culture system on growth performance, whole-body proximate composition, digestive enzyme activities, gut microbial abundance, and hepatopancreas histology of Pacific whiteleg shrimp, Litopenaeus vannamei post larvae (Pls). Three groups were designed, the first group was the control group, where the shrimp was reared in clear water (without carbon source addition and water exchange rate of 100% two times a week) and fed with a commercial diet, in the second and third groups shrimp were reared in BFT systems using two different carbon sources, sugarcane bagasse (SB) and rice bran (RB) without additional feeding or water exchange. The initial stocking density was 16 Pls/liter with an average individual shrimp weight of 0.01 ± 0.002 g and age (PL20). The experiment lasted 90 days. The water quality parameters were maintained at optimum levels during the experiment. The final body weight and specific growth rate of shrimp were significantly (p ≤ 0.01) higher in the control group than those reared in both SB and RB-based BFT. Meanwhile, the survival rate was significantly (p < 0.05) higher in BFT groups than in the control. The protease activity in shrimp stomach did not differ significantly. Meanwhile, protease, lipase, and amylase in the intestine showed a significant increase (p < 0.01) in BFT groups than those obtained in the control group. The total heterotrophic bacteria were significantly (p < 0.05) higher in BFT groups. Furthermore, the hepatopancreas histological status of shrimp reared in the SB-based BFT group showed an increase in the hepatopancreas tubules in the distal and B-cell zones (blister-like cells) by 16.83 and 34.89%, respectively, compared to the control. This study revealed that BFT could be used as a natural feed without artificial diets, which influenced the gut microbiota of shrimp, increased digestive enzyme activities, as well as improved the histological structure of the hepatopancreas of shrimp. However, the success of this conditions under high stocking density still needs more investigation.
Integrating Genetic Alterations and the Hippo Pathway in Head and Neck Squamous Cell Carcinoma for Future Precision Medicine
Authors: Ando Toshinori , Okamoto Kento , Shintani Tomoaki , Yanamoto Souichi , Miyauchi Mutsumi , Gutkind J. Silvio , Kajiya Mikihito
Published: September 2022

Genetic alterations and dysregulation of signaling pathways are indispensable for the initiation and progression of cancer. Understanding the genetic, molecular, and signaling diversities in cancer patients has driven a dynamic change in cancer therapy. Patients can select a suitable molecularly targeted therapy or immune checkpoint inhibitor based on the driver gene alterations determined by sequencing of cancer tissue. This “precision medicine” approach requires detailed elucidation of the mechanisms connecting genetic alterations of driver genes and aberrant downstream signaling pathways. The regulatory mechanisms of the Hippo pathway and Yes-associated protein/transcriptional co-activator with PDZ binding motif (YAP/TAZ) that have central roles in cancer cell proliferation are not fully understood, reflecting their recent discovery. Nevertheless, emerging evidence has shown that various genetic alterations dysregulate the Hippo pathway and hyperactivate YAP/TAZ in cancers, including head and neck squamous cell carcinoma (HNSCC). Here, we summarize the latest evidence linking genetic alterations and the Hippo pathway in HNSCC, with the aim of contributing to the continued development of precision medicine.
Cognitive Processes during Recovery: Moving toward Personalized Spine Surgery Outcomes
Authors: Schwartz Carolyn E. , Rapkin Bruce D. , Borowiec Katrina , Finkelstein Joel A.
Published: September 2022

This paper focuses on a novel application of personalized medicine: the ways one thinks about health (i.e., appraisal processes) as relevant predictors of spine-surgery response. This prospective longitudinal cohort study (n = 235) investigated how appraisal processes relate to outcomes of spinal decompression and/or fusion surgery, from pre-surgery through one-year post-surgery. Patient-reported outcomes assessed spine-specific disability (Oswestry Disability Index (ODI)), mental health functioning (Rand-36 Mental Component Score (MCS)), and cognitive appraisal processes (how people recall past experiences and to whom they compare themselves). Analysis of Variance examined the appraisal-outcomes association in separate models at pre-surgery, 3 months, and 12 months. We found that appraisal processes explained less variance at pre-surgery than later and were differentially relevant to health outcomes at different times in the spine-surgery recovery trajectory. For the ODI, recall of the seriousness of their condition was most prominent early in recovery, and comparing themselves to positive standards was most prominent later. For the MCS, not focusing on the negative aspects of their condition and/or on how others see them was associated with steady improvement and higher scores at 12 months. Appraisal processes are relevant to both spine-specific disability and mental-health functioning. Such processes are modifiable objects of attention for personalizing spine-surgery outcomes.
Modern MRI Diagnostics of Upper-Extremity-Related Nerve Injuries—A Prospective Multi-Center Study Protocol for Diagnostics and Follow Up of Peripheral Nerve Injuries
Authors: Aman Martin , Schwarz Daniel , Stolle Annette , Bergmeister Konstantin Davide , Boecker Arne H. , Daeschler Simeon , Bendszus Martin , Kneser Ulrich , Harhaus Leila
Published: September 2022

(1) Background: Peripheral nerve injuries are severe injuries with potentially devastating impairment of extremity function. Correct and early diagnosis as well as regular regeneration observation is of utmost importance for individualized reconstruction and the best possible results. Currently, diagnoses and follow-up examinations are based on clinical examinations supported with electroneurography, which often causes delays in treatment and can result in impaired healing. However, there is currently no diagnostic device that can reliably correlate the anatomic–pathological parameters with the functional–pathological changes initially and during therapy. With new technologies such as MR neurography (MRN), precise visualization of potential nerve damage and visualization of the reinnervation processes is assumed to accelerate clinical decision making and accompaniment of individualized treatment. (2) Methods/Design: This prospective clinical study will examine 60 patients after peripheral nerve lesion aged 18–65 years from trauma timepoint onward. Patients should be observed over a period of 18–24 months with regular clinical examinations, electroneurography, and ultrasound to compare the potential of MRN to current gold-standard diagnostic tools. Furthermore, 20 patients with the same inclusion criteria stated above, with an internal fixation and osteosyntheses of humerus fractures, will be examined to determine the visibility of peripheral nerve structures in close proximity to metal. (3) Discussion: Peripheral nerve injuries are often accompanied with severe, expensive, and long-lasting impairment of extremity function. An early and precise diagnosis of the nerve lesion, as well as the healing course, is crucial to indicate the right therapy as soon as possible to save valuable time for nerve regeneration. Here, new technologies such as MRN aim to visualize nerve injuries on fascicular level, providing not only early diagnosis and therapy decisions, but also providing a precise tool for monitoring of reinnervation processes. As severe injuries of a nerve are often accompanied with bone fractures and internal fixation, we also aim to evaluate the visualization feasibility of nerves in close proximity to metal, and ultimately improve the outcome and extremity function of patients after a peripheral nerve injury.
The Narrative Bodies of James Baldwin: A Discussion of Literary and Sartorial Style
Authors: Covington Sha’Mira
Published: September 2022

Inspired by Terry Newman’s literary and sartorial analysis of writers in her book Legendary Authors and the Clothes They Wore, I analyze James Baldwin’s literary and sartorial style using excerpts from his works and archival photography. I also add a signifier/signified analysis using social semiotic theory. According to De Saussure, there are two main parts to any sign, the signifier, which connotes any material thing, and the signified, which is the meaning that is made of that thing by the receiver. Social semiotics changes the focus from the sign to the way people use semiotic resources to produce communicative artifacts, collectively. In the semiotic tradition, I extend the literary text (Go Tell it on the Mountain, Another Country, and Just Above My Head) to a larger reading of the culture in which it was created and to the more universal structures that are inherent within it. Clothing is also considered a critical semiotic resource because it is viewed as a sign that signifies a particular meaning. In my analysis, I illuminate how Baldwin’s sartorial style is a mirror (signifier) to reflect his literary style and reflects the creative and spiritual (signified) essence of his work, connected to and with collective Black narratives of style.
Potential of Nitrided and PVD-MoS2:Ti-Coated Duplex System for Dry-Running Friction Contacts
Authors: Lenz Bastian , Hoja Stefanie , Sommer Michaela , Hasselbruch Henning , Mehner Andreas , Steinbacher Matthias
Published: September 2022

Self-lubricating coatings can be used to increase the service life of machine parts which are subjected to high mechanical loads. The present work is concerned with the combination of nitriding and a subsequent Ti-doped MoS2 coating. The focus of the investigations is on the impact of the compound layer on the wear behavior of the coating since the changes in the surface topography due to compound layer growth and pore formation inside the compound layers are expected to have an impact of the adhesion strength and the wear behavior. For this purpose, compound layers with varying thickness and porosity were formed in the surface area of the material EN31CrMoV9 by gas nitriding. A MoS2:Ti PVD monolayer was applied directly on the compound layers. The wear behavior was evaluated using the pin-on-disc test. The MoS2:Ti solid lubricant coatings show good adhesion on the compound layers without any interlayer. Compared with the nitrided reference state, the coating significantly improved the wear behavior of the surface treated material.
Dynamic Mechanical Properties of Rolled Thin-Walled Steel Plates (TWSPs) Used for W-Beam Guardrails under Low and Medium Strain Rates
Authors: Liu Fangfang , Cheng Xiaowei , Li Yi , Yang Manjuan , Zhou Yujing
Published: September 2022

Accurately considering the dynamic mechanical properties of rolled thin-walled steel plates (TWSPs) under low and medium strain rates is the basis of numerical simulations of W-beam guardrails subjected to vehicle impact. Uniaxial tensile tests were conducted on specimens extracted from different locations (flat TWSPs without cold rolling treatment, and the cross-sectional centers and slopes of rolled TWSPs) and under different strain rates (ε˙ = 0.00025, 0.01, and 50 s−1). Based on experimental and numerical results, the cross-sectional center of a rolled TWSP is recommended as the representative sampling location for uniaxial tensile tests. Additional uniaxial tensile tests with wider strain rates of 10, 100, and 200 s−1 were also conducted on specimens at the recommended sampling location (cross-sectional center) of rolled TWSPs. It was found that the Cowper–Symonds model with parameters of C = 40 s−1 and p = 5 recommend by Symonds significantly overestimated the strain rate effects of the rolled TWSP material in the low and medium strain-rate region. The model with calibrated parameters of C = 4814 s−1 and p = 2.9 was recommended for considering the influences of strain rate effects on the dynamic mechanical properties of rolled TWSP at low to medium strain rates.
High and Ultra-High Coercive Materials in Spring-Exchange Systems—Review, Simulations and Perspective
Authors: Chrobak Artur
Published: September 2022

The paper refers to the spring-exchange magnetic systems containing magnetically soft and hard phases. This work consists of two parts. The first part is a brief review of hard magnetic materials, with special attention paid to ultra-high coercive compounds, as well as selected spring-exchange systems. The second part is a theoretical discussion based on the Monte Carlo micromagnetic simulations about the possible enhancement of the hard magnetic properties of systems composed of magnetically soft, as well as high and ultra-high coercive, phases. As shown, the analyzed systems reveal the potential for improving the |BH|max parameter, filling the gap between conventional and Nd-based permanent magnets. Moreover, the carried-out simulations indicate the advantages and limitations of the spring-exchange composites, which could lead to a reduction in rare earth elements in permanent magnet applications.