The 2023 MDPI Annual Report has
been released!
 
14 pages, 9051 KiB  
Article
Carbonic Anhydrase 2 Deletion Delays the Growth of Kidney Cysts Whereas Foxi1 Deletion Completely Abrogates Cystogenesis in TSC
by Sharon Barone, Kamyar Zahedi, Marybeth Brooks and Manoocher Soleimani
Int. J. Mol. Sci. 2024, 25(9), 4772; https://doi.org/10.3390/ijms25094772 (registering DOI) - 27 Apr 2024
Abstract
Tuberous sclerosis complex (TSC) presents with renal cysts and benign tumors, which eventually lead to kidney failure. The factors promoting kidney cyst formation in TSC are poorly understood. Inactivation of carbonic anhydrase 2 (Car2) significantly reduced, whereas, deletion of Foxi1 completely abrogated [...] Read more.
Tuberous sclerosis complex (TSC) presents with renal cysts and benign tumors, which eventually lead to kidney failure. The factors promoting kidney cyst formation in TSC are poorly understood. Inactivation of carbonic anhydrase 2 (Car2) significantly reduced, whereas, deletion of Foxi1 completely abrogated the cyst burden in Tsc1 KO mice. In these studies, we contrasted the ontogeny of cyst burden in Tsc1/Car2 dKO mice vs. Tsc1/Foxi1 dKO mice. Compared to Tsc1 KO, the Tsc1/Car2 dKO mice showed few small cysts at 47 days of age. However, by 110 days, the kidneys showed frequent and large cysts with overwhelming numbers of A-intercalated cells in their linings. The magnitude of cyst burden in Tsc1/Car2 dKO mice correlated with the expression levels of Foxi1 and was proportional to mTORC1 activation. This is in stark contrast to Tsc1/Foxi1 dKO mice, which showed a remarkable absence of kidney cysts at both 47 and 110 days of age. RNA-seq data pointed to profound upregulation of Foxi1 and kidney-collecting duct-specific H+-ATPase subunits in 110-day-old Tsc1/Car2 dKO mice. We conclude that Car2 inactivation temporarily decreases the kidney cyst burden in Tsc1 KO mice but the cysts increase with advancing age, along with enhanced Foxi1 expression. Full article
(This article belongs to the Special Issue A Molecular Perspective on the Genetics of Kidney Diseases)
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25 pages, 917 KiB  
Article
Adoption of Green Mark Criteria toward Construction Management Sustainability
by Hai Chien Pham, Vu Hong Son Pham and Trong Kich Than
Buildings 2024, 14(5), 1242; https://doi.org/10.3390/buildings14051242 (registering DOI) - 27 Apr 2024
Abstract
Sustainable construction plays a significant role in developing countries. However, the adoption of sustainable buildings has faced diverse challenges. Therefore, this research investigates the benefits and challenges of adopting the Green Mark in green building projects. After a literature review and a pilot [...] Read more.
Sustainable construction plays a significant role in developing countries. However, the adoption of sustainable buildings has faced diverse challenges. Therefore, this research investigates the benefits and challenges of adopting the Green Mark in green building projects. After a literature review and a pilot study with construction experts, an industry-wide survey was conducted to collect 148 valid responses. The data were analyzed in depth, with 24 barriers and 10 benefits, using the Statistical Package for the Social Science (SPSS) software. After this, the collected data were analyzed using the analytic hierarchy process (AHP) method to prioritize critical factors. The preliminary findings revealed significant practical implications and offered valuable insights to support the adoption of Green Mark criteria for construction management sustainability. Furthermore, practical solutions were proposed to foster the widespread adoption of green buildings toward sustainable construction in the future. Full article
12 pages, 1503 KiB  
Article
Contemporary Prevalence of Oral Clefts in the US: Geographic and Socioeconomic Considerations
by Hilliard T. Brydges, Matteo Laspro, Alexandra N. Verzella, Andre Alcon, Jill Schechter, Michael F. Cassidy, Bachar F. Chaya, Eduardo Iturrate and Roberto L. Flores
J. Clin. Med. 2024, 13(9), 2570; https://doi.org/10.3390/jcm13092570 (registering DOI) - 27 Apr 2024
Abstract
Background: Socio-economic status, living environments, and race have been implicated in the development of different congenital abnormalities. As orofacial clefting is the most common anomaly affecting the face, an understanding of its prevalence in the United States and its relationship with different determinants [...] Read more.
Background: Socio-economic status, living environments, and race have been implicated in the development of different congenital abnormalities. As orofacial clefting is the most common anomaly affecting the face, an understanding of its prevalence in the United States and its relationship with different determinants of health is paramount. Therefore, the purpose of this study is to determine the modern prevalence of oral–facial clefting in the United States and its association with different social determinants of health. Methods: Utilizing Epic Cosmos, data from approximately 180 US institutions were queried. Patients born between November 2012 and November 2022 were included. Eight orofacial clefting (OC) cohorts were identified. The Social Vulnerability Index (SVI) was used to assess social determinants of health. Results: Of the 15,697,366 patients identified, 31,216 were diagnosed with OC, resulting in a prevalence of 19.9 (95% CI: 19.7–20.1) per 10,000 live births. OC prevalence was highest among Asian (27.5 CI: 26.2–28.8) and Native American (32.8 CI: 30.4–35.2) patients and lowest among Black patients (12.96 CI: 12.5–13.4). Male and Hispanic patients exhibited higher OC prevalence than female and non-Hispanic patients. No significant differences were found among metropolitan (20.23/10,000), micropolitan (20.18/10,000), and rural populations (20.02/10,000). SVI data demonstrated that OC prevalence was positively associated with the percentage of the population below the poverty line and negatively associated with the proportion of minority language speakers. Conclusions: This study examined the largest US cohort of OC patients to date to define contemporary US prevalence, reporting a marginally higher rate than previous estimates. Multiple social determinants of health were found to be associated with OC prevalence, underscoring the importance of holistic prenatal care. These data may inform clinicians about screening and counseling of expectant families based on socio-economic factors and direct future research as it identifies potential risk factors and provides prevalence data, both of which are useful in addressing common questions related to screening and counseling. Full article
(This article belongs to the Special Issue Cleft Lip and Palate: Current Treatment and Future Options)
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10 pages, 2307 KiB  
Article
Elasticity of the Cervix in Relation to Uterus Position
by Anjeza Xholli, Ambrogio Pietro Londero, Umberto Scovazzi and Angelo Cagnacci
J. Clin. Med. 2024, 13(9), 2572; https://doi.org/10.3390/jcm13092572 (registering DOI) - 27 Apr 2024
Abstract
Strain elastography allows the evaluation of tissue elasticity. Background/Objectives: Tissue elasticity depends on the content and distribution of collagen fibers and is shaped by the applied tensile forces that may differ in uteri with a different angle of flexion of the corpus on [...] Read more.
Strain elastography allows the evaluation of tissue elasticity. Background/Objectives: Tissue elasticity depends on the content and distribution of collagen fibers and is shaped by the applied tensile forces that may differ in uteri with a different angle of flexion of the corpus on the cervix. The objective was to investigate whether the angle of uterine flexion is related to cervical tissue elasticity. Methods: The anterior angle between the longitudinal axis of the uterus corpus and that of the cervix was measured in 275 non-pregnant young women by transvaginal ultrasonography and considered both as an absolute value or categorized as ≤150°, between >150° and ≤210°, and >210°. Strain elastography was used to assess tissue elasticity by placing the probe in the anterior vaginal fornix. Tissue elasticity was evaluated in the middle of the anterior cervical compartment (ACC), in the middle of the posterior cervical compartment (PCC), in the middle portion of the cervical canal (MCC), and at the internal cervical os (ICO). In a sagittal plane MCC was evaluated across the cervical canal, and ACC and PCC at a distance equal between the cervical canal and the outer anterior or posterior part of the cervix. MCC, ACC and PCC were evaluated at equal distance between the ICO and the external cervical os. Elasticity was expressed as a color score ranging from 0.1 (low elasticity) to 3 (high elasticity). Results: The angle of uterine flexion show a negative linear relation with the elasticity of the ACC (p = 0.001) and MCC (p = 0.002) and a positive relation with the elasticity of the PCC (p = 0.054). In comparison to uteri with an angle of flexion of <150°, those with an angle of flexion of >210° had lower elasticity of the ACC (p = 0.001) and MCC (p = 0.001) and higher elasticity of the PCC (p = 0.004). The ACC/PCC and PCC/MCC elasticity ratios were also significantly different (p = 0.001). Conclusions: The angle of uterine flexion is associated with changes in cervix elasticity. Retroflexion is associated with stiffer ACC and MCC and a more elastic PCC. Differences in tissue elasticity suggest structural changes of the cervix that may have implication in variate obstetric and gynecological conditions. Full article
(This article belongs to the Section Obstetrics & Gynecology)
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15 pages, 2889 KiB  
Article
Effects of High-Dose Cyclophosphamide on Ultrastructural Changes and Gene Expression Profiles in the Cardiomyocytes of C57BL/6J Mice
by Takuro Nishikawa, Emiko Miyahara, Ieharu Yamazaki, Kazuro Ikawa, Shunsuke Nakagawa, Yuichi Kodama, Yoshifumi Kawano and Yasuhiro Okamoto
Diseases 2024, 12(5), 85; https://doi.org/10.3390/diseases12050085 (registering DOI) - 27 Apr 2024
Abstract
The pathogenesis of cyclophosphamide (CY)-induced cardiotoxicity remains unknown, and methods for its prevention have not been established. To elucidate the acute structural changes that take place in myocardial cells and the pathways leading to myocardial damage under high-dose CY treatments, we performed detailed [...] Read more.
The pathogenesis of cyclophosphamide (CY)-induced cardiotoxicity remains unknown, and methods for its prevention have not been established. To elucidate the acute structural changes that take place in myocardial cells and the pathways leading to myocardial damage under high-dose CY treatments, we performed detailed pathological analyses of myocardial tissue obtained from C57BL/6J mice subjected to a high-dose CY treatment. Additionally, we analysed the genome-wide cardiomyocyte expression profiles of mice subjected to the high-dose CY treatment. Treatment with CY (400 mg/kg/day intraperitoneally for two days) caused marked ultrastructural aberrations, as observed using electron microscopy, although these aberrations could not be observed using optical microscopy. The expansion of the transverse tubule and sarcoplasmic reticulum, turbulence in myocardial fibre travel, and a low contractile protein density were observed in cardiomyocytes. The high-dose CY treatment altered the cardiomyocyte expression of 1210 genes (with 675 genes upregulated and 535 genes downregulated) associated with cell–cell junctions, inflammatory responses, cardiomyopathy, and cardiac muscle function, as determined using microarray analysis (|Z-score| > 2.0). The expression of functionally important genes related to myocardial contraction and the regulation of calcium ion levels was validated using real-time polymerase chain reaction analysis. The results of the gene expression profiling, functional annotation clustering, and Kyoto Encyclopedia of Genes and Genomes pathway functional-classification analysis suggest that CY-induced cardiotoxicity is associated with the disruption of the Ca2+ signalling pathway. Full article
(This article belongs to the Section Oncology)
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12 pages, 269 KiB  
Article
Detectable Virological Load and Associated Factors among People Living with HIV on Antiretroviral Treatment: A Retrospective Study
by Pierpaolo Congedo, Raffaella Sedile, Marcello Guido, Federico Banchelli and Antonella Zizza
Pathogens 2024, 13(5), 359; https://doi.org/10.3390/pathogens13050359 (registering DOI) - 27 Apr 2024
Abstract
The complete and prolonged suppression of viral load is the primary objective of HAART in people living with HIV. Some people may experience therapeutic failure, while others may achieve virological suppression but are unable to maintain it, developing persistent or single detection of [...] Read more.
The complete and prolonged suppression of viral load is the primary objective of HAART in people living with HIV. Some people may experience therapeutic failure, while others may achieve virological suppression but are unable to maintain it, developing persistent or single detection of low-level viremia. This study aims to evaluate the determinants of a detectable viral load among patients on HAART to identify and address them promptly. In this retrospective study, all patients referring to the Infectious Disease Operative Unit of the Vito Fazzi Hospital in Lecce, Puglia, older than 18 years, receiving HAART for at least 12 months as of 30 June 2022, were included. For each patient, demographic characteristics such as age, sex, educational level, stable relationship, cohabitation, employment status, and information relating to habits and lifestyles such as physical activity, use of drugs, and substances or supplements for sport, abuse of alcohol, and smoking were collected. Degree of comorbidity was quantified according to the Charlson Comorbidity Index, and the presence of obesity and the COVID-19 infection was also considered. Univariable and multivariable logistic regression models were used to assess the association between patients’ characteristics and the outcome. In the multivariable logistic regression model, the odds were lower for the duration of therapy (OR: 0.96; p = 0.0397), prescriber’s perception of adherence to therapy (OR: 0.50; p < 0.0001), and Nadir CD4+ T-cell count (OR: 0.85; p = 0.0329), and higher for the presence of AIDS (OR: 1.89; p = 0.0423) and COVID-19 (OR: 2.31; p = 0.0182). Our findings support the early initiation of HAART to achieve virological suppression. Additionally, measures to improve adherence to therapy should be adopted to ensure better outcomes for patients. Full article
15 pages, 3179 KiB  
Article
Reactive Force Field Molecular Dynamics Investigation of NH3 Generation Mechanism during Protein Pyrolysis Process
by Shuai Guo, Yu Wang, Shujun Zhu, Hongwei Qu, Deng Zhao, Xingcan Li and Yan Zhao
Molecules 2024, 29(9), 2016; https://doi.org/10.3390/molecules29092016 (registering DOI) - 27 Apr 2024
Abstract
The mechanism of ammonia formation during the pyrolysis of proteins in biomass is currently unclear. To further investigate this issue, this study employed the AMS 2023.104 software to select proteins (actual proteins) as the model compounds and the amino acids contained within them [...] Read more.
The mechanism of ammonia formation during the pyrolysis of proteins in biomass is currently unclear. To further investigate this issue, this study employed the AMS 2023.104 software to select proteins (actual proteins) as the model compounds and the amino acids contained within them (assembled amino acids) as the comparative models. ReaxFF molecular dynamics simulations were conducted to explore the nitrogen transformation and NH3 generation mechanisms in three-phase products (char, tar, and gas) during protein pyrolysis. The research results revealed several key findings. Regardless of whether the model compounds are actual proteins or assembled amino acids, NH3 is the primary nitrogen-containing product during pyrolysis. However, as the temperature rises to higher levels, such as 2000 K and 2500 K, the amount of NH3 decreases significantly in the later stages of pyrolysis, indicating that it is being converted into other nitrogen-bearing species, such as HCN and N2. Simultaneously, we also observed significant differences between the pyrolysis processes of actual proteins and assembled amino acids. Notably, at 2000 K, the amount of NH3 generated from the pyrolysis of assembled amino acids was twice that of actual proteins. This discrepancy mainly stems from the inherent structural differences between proteins and amino acids. In proteins, nitrogen is predominantly present in a network-like structure (NH-N), which shields it from direct external exposure, thus requiring more energy for nitrogen to participate in pyrolysis reactions, making it more difficult for NH3 to form. Conversely, assembled amino acids can release NH3 through a simpler deamination process, leading to a significant increase in NH3 production during their pyrolysis. Full article
(This article belongs to the Special Issue Renewable Energy, Fuels and Chemicals from Biomass)
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30 pages, 2251 KiB  
Article
Sorption Behavior of Azo Dye Congo Red onto Activated Biochar from Haematoxylum campechianum Waste: Gradient Boosting Machine Learning-Assisted Bayesian Optimization for Improved Adsorption Process
by Diego Melchor Polanco Gamboa, Mohamed Abatal, Eder Lima, Francisco Anguebes Franseschi, Claudia Aguilar Ucán, Rasikh Tariq, Miguel Angel Ramírez Elías and Joel Vargas
Int. J. Mol. Sci. 2024, 25(9), 4771; https://doi.org/10.3390/ijms25094771 (registering DOI) - 27 Apr 2024
Abstract
This work aimed to describe the adsorption behavior of Congo red (CR) onto activated biochar material prepared from Haematoxylum campechianum waste (ABHC). The carbon precursor was soaked with phosphoric acid, followed by pyrolysis to convert the precursor into activated biochar. The [...] Read more.
This work aimed to describe the adsorption behavior of Congo red (CR) onto activated biochar material prepared from Haematoxylum campechianum waste (ABHC). The carbon precursor was soaked with phosphoric acid, followed by pyrolysis to convert the precursor into activated biochar. The surface morphology of the adsorbent (before and after dye adsorption) was characterized by scanning electron microscopy (SEM/EDS), BET method, X-ray powder diffraction (XRD), and Fourier-transform infrared spectroscopy (FTIR) and, lastly, pHpzc was also determined. Batch studies were carried out in the following intervals of pH = 4–10, temperature = 300.15–330.15 K, the dose of adsorbent = 1–10 g/L, and isotherms evaluated the adsorption process to determine the maximum adsorption capacity (Qmax, mg/g). Kinetic studies were performed starting from two different initial concentrations (25 and 50 mg/L) and at a maximum contact time of 48 h. The reusability potential of activated biochar was evaluated by adsorption–desorption cycles. The maximum adsorption capacity obtained with the Langmuir adsorption isotherm model was 114.8 mg/g at 300.15 K, pH = 5.4, and a dose of activated biochar of 1.0 g/L. This study also highlights the application of advanced machine learning techniques to optimize a chemical removal process. Leveraging a comprehensive dataset, a Gradient Boosting regression model was developed and fine-tuned using Bayesian optimization within a Python programming environment. The optimization algorithm efficiently navigated the input space to maximize the removal percentage, resulting in a predicted efficiency of approximately 90.47% under optimal conditions. These findings offer promising insights for enhancing efficiency in similar removal processes, showcasing the potential of machine learning in process optimization and environmental remediation. Full article
17 pages, 2698 KiB  
Article
A Ship Trajectory Prediction Method Based on an Optuna–BILSTM Model
by Yipeng Zhou, Ze Dong and Xiongguan Bao
Appl. Sci. 2024, 14(9), 3719; https://doi.org/10.3390/app14093719 (registering DOI) - 27 Apr 2024
Abstract
In the field of maritime traffic management, overcoming the challenges of low prediction accuracy and computational inefficiency in ship trajectory prediction is crucial for collision avoidance. This paper presents an advanced solution using a deep bidirectional long- and short-term memory network (BILSTM) and [...] Read more.
In the field of maritime traffic management, overcoming the challenges of low prediction accuracy and computational inefficiency in ship trajectory prediction is crucial for collision avoidance. This paper presents an advanced solution using a deep bidirectional long- and short-term memory network (BILSTM) and the Optuna hyperparameter automatic optimized framework. Utilizing automatic identification system (AIS) data to analyze ship navigation patterns, the study applies Optuna to fine-tune the hyperparameters of the BILSTM network to improve prediction accuracy and efficiency. The developed Optuna–BILSTM model shows a remarkable 7% increase in prediction accuracy over traditional back propagation (BP) neural networks and standard BILSTM models. These results not only improve ship navigation and safety but also have significant implications for the development of autonomous ship collision avoidance systems, marking a significant step toward safer and more efficient maritime traffic management. Full article
(This article belongs to the Section Marine Science and Engineering)
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27 pages, 45608 KiB  
Article
Characterization of Grape Pomace Extract Microcapsules: The Influence of Carbohydrate Co-Coating on the Stabilization of Goat Whey Protein as a Primary Coating
by Gabriela Perković, Josipa Martinović, Gordana Šelo, Ana Bucić-Kojić, Mirela Planinić and Rita Ambrus
Foods 2024, 13(9), 1346; https://doi.org/10.3390/foods13091346 (registering DOI) - 27 Apr 2024
Abstract
Both grape pomace and whey are waste products from the food industry that are rich in valuable ingredients. The utilization of these two by-products is becoming increasingly possible as consumer awareness of upcycling increases. The biological activities of grape pomace extract (GPE) are [...] Read more.
Both grape pomace and whey are waste products from the food industry that are rich in valuable ingredients. The utilization of these two by-products is becoming increasingly possible as consumer awareness of upcycling increases. The biological activities of grape pomace extract (GPE) are diverse and depend on its bioavailability, which is influenced by processes in the digestive system. In this work, goat whey protein (GW) was used as the primary coating to protect the phenolic compounds of GPE during the spray drying process. In addition, trehalose (T), sucrose (S), xylose (X), and maltodextrin (MD) were added to the goat whey proteins as co-coatings and protein stabilizers. All spray drying experiments resulted in microcapsules (MC) with a high encapsulation efficiency (77.6–95.5%) and yield (91.5–99.0%) and almost 100% recovery of phenolic compounds during the release test. For o-coumaric acid, the GW-coated microcapsules (MC) showed a bioavailability index of up to 731.23%. A semi-crystalline structure and hydrophilicity were characteristics of the MC coated with 10% T, S, X, or 5% MD. GW alone or in combination with T, S, MD, or X proved to be a promising carrier for polyphenols from grape pomace extract and ensured good bioavailability of these natural antioxidants. Full article
(This article belongs to the Section Food Engineering and Technology)
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11 pages, 294 KiB  
Article
The Impact of Diagnosis of Human Papillomavirus (HPV) Infection and Electrosurgical Excision Procedure (LEEP) for Cervical Intraepithelial Neoplasia 3 (CIN3) on Women’s Sexual Lives
by Maria Teresa Bruno, Giuseppe Caruso, Elena Torrisi, Raffaela Grimaldi, Biagio Abate, Francesco Saverio Luciani, Susanna Basile and Marco Marzio Panella
Diagnostics 2024, 14(9), 911; https://doi.org/10.3390/diagnostics14090911 (registering DOI) - 27 Apr 2024
Abstract
The aim of the study was to assess sexual health in women who underwent Loop Electrosurgical Excisional Procedure (LEEP) for the treatment of cervical intraepithelial neoplasia 3 (CIN 3). One hundred thirty-one women were enrolled, and the Female Sexual Function Index (FSFI) questionnaire [...] Read more.
The aim of the study was to assess sexual health in women who underwent Loop Electrosurgical Excisional Procedure (LEEP) for the treatment of cervical intraepithelial neoplasia 3 (CIN 3). One hundred thirty-one women were enrolled, and the Female Sexual Function Index (FSFI) questionnaire was administered before LEEP and 6 months after the procedure. In almost all of the participants, data revealed a statistically significant worsening in sexual quality of life after LEEP. Therefore, clinicians should be aware of these possible negative effects on sexual behavior, and provide women with appropriate, wide-ranging, and detailed counseling. The data obtained in the present study should help to plan appropriate counseling from communicating HPV diagnosis and medical treatment to CIN3 surgical procedure. Full article
(This article belongs to the Section Diagnostic Microbiology and Infectious Disease)
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18 pages, 732 KiB  
Article
Absorption and Fluorescence Emission Investigations on Supramolecular Assemblies of Tetrakis-(4-sulfonatophenyl)porphyrin and Graphene Quantum Dots
by Mariachiara Sarà, Salvatore Vincenzo Giofrè, Salvatore Abate, Mariachiara Trapani, Rosaria Verduci, Giovanna D’Angelo, Maria Angela Castriciano, Andrea Romeo, Giovanni Neri and Luigi Monsù Scolaro
Molecules 2024, 29(9), 2015; https://doi.org/10.3390/molecules29092015 (registering DOI) - 27 Apr 2024
Abstract
The one-pot synthesis of N-doped graphene quantum dots (GQDs), capped with a positively charged polyamine (trien), has been realized through a microwave-assisted pyrolysis on solid L-glutamic acid and trien in equimolar amounts. The resulting positively charged nanoparticles are strongly emissive in aqueous solutions [...] Read more.
The one-pot synthesis of N-doped graphene quantum dots (GQDs), capped with a positively charged polyamine (trien), has been realized through a microwave-assisted pyrolysis on solid L-glutamic acid and trien in equimolar amounts. The resulting positively charged nanoparticles are strongly emissive in aqueous solutions and are stable for months. The interaction with the anionic tetrakis(4-sulphonatophenyl)porphyrin (TPPS4) has been investigated at neutral and mild acidic pH using a combination of UV/vis absorption spectroscopy together with static and time-resolved fluorescence emission. At pH = 7, the experimental evidence points to the formation of a supramolecular adduct mainly stabilized by electrostatic interactions. The fluorescence emission of the porphyrin is substantially quenched while GQDs remain still emissive. On decreasing the pH, protonation of TPPS4 leads to formation of porphyrin J-aggregates through the intermediacy of the charged quantum dots. Full article
(This article belongs to the Section Physical Chemistry)
24 pages, 1059 KiB  
Article
Studies on the Thermal Decomposition Course of Nitrogen-Rich Heterocyclic Esters as Potential Drug Candidates and Evaluation of Their Thermal Stability and Properties
by Marta Worzakowska, Krzysztof Sztanke and Małgorzata Sztanke
Int. J. Mol. Sci. 2024, 25(9), 4768; https://doi.org/10.3390/ijms25094768 (registering DOI) - 27 Apr 2024
Abstract
Drug candidates must undergo thermal evaluation as early as possible in the preclinical phase of drug development because undesirable changes in their structure and physicochemical properties may result in decreased pharmacological activity or enhanced toxicity. Hence, the detailed evaluation of nitrogen-rich heterocyclic esters [...] Read more.
Drug candidates must undergo thermal evaluation as early as possible in the preclinical phase of drug development because undesirable changes in their structure and physicochemical properties may result in decreased pharmacological activity or enhanced toxicity. Hence, the detailed evaluation of nitrogen-rich heterocyclic esters as potential drug candidates, i.e., imidazolidinoannelated triazinylformic acid ethyl esters 13 (where R1 = 4–CH3 or 4–OCH3 or 4–Cl, and R2 = –COOC2H5) and imidazolidinoannelated triazinylacetic acid methyl esters 46 (where R1 = 4–CH3 or 4–OCH3 or 4–Cl, and R2 = –CH2COOCH3)—in terms of their melting points, melting enthalpy values, thermal stabilities, pyrolysis, and oxidative decomposition course—has been carried out, using the simultaneous thermal analysis methods (TG/DTG/DSC) coupled with spectroscopic techniques (FTIR and QMS). It was found that the melting process (documented as one sharp peak related to the solid–liquid phase transition) of the investigated esters proceeded without their thermal decomposition. It was confirmed that the melting points of the tested compounds increased in relation to R1 and R2 as follows: 2 (R1 = 4–OCH3; R2 = –COOC2H5) < 6 (R1 = 4–Cl; R2 = –CH2COOCH3) < 5 (R1 = 4–OCH3; R2 = –CH2COOCH3) < 3 (R1 = 4–Cl; R2 = –COOC2H5) < 1 (R1 = 4–CH3; R2 = –COOC2H5) < 4 (R1 = 4–CH3; R2 = –CH2COOCH3). All polynitrogenated heterocyclic esters proved to be thermally stable up to 250 °C in inert and oxidising conditions, although 13 were characterised by higher thermal stability compared to 46. The results confirmed that both the pyrolysis and the oxidative decomposition of heterocyclic ethyl formates/methyl acetates with para-substitutions at the phenyl moiety proceed according to the radical mechanism. In inert conditions, the pyrolysis process of the studied molecules occurred with the homolytic breaking of the C–C, C–N, and C–O bonds. This led to the emission of alcohol (ethanol in the case of 13 or methanol in the case of 46), NH3, HCN, HNCO, aldehydes, CO2, CH4, HCl, aromatics, and H2O. In turn, in the presence of air, cleavage of the C–C, C–N, and C–O bonds connected with some oxidation and combustion processes took place. This led to the emission of the corresponding alcohol depending on the analysed class of heterocyclic esters, NH3, HCN, HNCO, aldehydes, N2, NO/NO2, CO, CO2, HCl, aromatics, and H2O. Additionally, after some biological tests, it was proven that all nitrogen-rich heterocyclic esters—as potential drug candidates—are safe for erythrocytes, and some of them are able to protect red blood cells from oxidative stress-induced damage. Full article
(This article belongs to the Special Issue Techniques and Strategies in Drug Design and Discovery, 2nd Edition)
15 pages, 7380 KiB  
Article
Preparation of a Polymeric Phosphoramide Flame-Retardant and Its Effect on the Flame-Retardant Properties of Epoxy Resin
by Hao Wang, Yinjie Wang, Yan Su, Chuang Yu, Jia Han and Jiping Liu
Polymers 2024, 16(9), 1224; https://doi.org/10.3390/polym16091224 (registering DOI) - 27 Apr 2024
Abstract
The flammability of epoxy resins and knowing how to achieve curing are particularly important factors during use. A novel approach for enhancing the fire resistance and reducing the smoke emission of epoxy resin during the curing process is suggested, which involves the utilization [...] Read more.
The flammability of epoxy resins and knowing how to achieve curing are particularly important factors during use. A novel approach for enhancing the fire resistance and reducing the smoke emission of epoxy resin during the curing process is suggested, which involves the utilization of a three-source integrated polymerization intumescent flame-retardant. In this study, the synthesis of poly 4,4-diaminodiphenylsulfone spirocyclic pentaerythritol bisphosphonate (PCS) is achieved through using solution polymerization, utilizing 4,4′-diaminodiphenylsulfone (DDS) and spirocyclic pentaerythritol bisphosphorate disphosphoryl chloride (SPDPC) as initial components. Following that, the EP underwent the inclusion of PCS to examine its resistance to heat, its ability to prevent flames, its effectiveness in reducing smoke and its curing effect. Compared to the unmodified epoxy resin, the addition of PCS can not only cure the epoxy resin, but also decompose before the epoxy resin and has a good carbonization effect. With the addition of 7 wt.% PCS, the LOI value can achieve 31.2% and successfully pass the UL-94 test with a V-0 rating. Moreover, the cone calorimeter experiment demonstrated a noteworthy decline of 59.7% in the maximum heat release rate (pHRR), 63.7% in overall heat release (THR), and 42.3% in total smoke generation (TSP). Based on the examination of TG-FTIR and SEM findings, there is ample evidence to suggest that PCS, functioning as a phosphorus-nitrogen intumescent flame-retardant that combines three origins, has the potential to exhibit a favorable flame-retardant impact in both its gas and condensed phases. Full article
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19 pages, 4351 KiB  
Article
Advancing Urban Building Energy Modeling: Building Energy Simulations for Three Commercial Building Stocks through Archetype Development
by Md. Uzzal Hossain, Isabella Cicco and Melissa M. Bilec
Buildings 2024, 14(5), 1241; https://doi.org/10.3390/buildings14051241 (registering DOI) - 27 Apr 2024
Abstract
Urban building energy models (UBEMs), developed to understand the energy performance of building stocks of a region, can aid in key decisions related to energy policy and climate change solutions. However, creating a city-scale UBEM is challenging due to the requirements of diverse [...] Read more.
Urban building energy models (UBEMs), developed to understand the energy performance of building stocks of a region, can aid in key decisions related to energy policy and climate change solutions. However, creating a city-scale UBEM is challenging due to the requirements of diverse geometric and non-geometric datasets. Thus, we aimed to further elucidate the process of creating a UBEM with disparate and scarce data based on a bottom-up, physics-based approach. We focused on three typically overlooked but functionally important commercial building stocks, which are sales and shopping, healthcare facilities, and food sales and services, in the region of Pittsburgh, Pennsylvania. We harvested relevant local building information and employed photogrammetry and image processing. We created archetypes for key building types, designed 3D buildings with SketchUp, and performed an energy analysis using EnergyPlus. The average annual simulated energy use intensities (EUIs) were 528 kWh/m2, 822 kWh/m2, and 2894 kWh/m2 for sales and shopping, healthcare facilities, and food sales and services, respectively. In addition to variations found in the simulated energy use pattern among the stocks, considerable variations were observed within buildings of the same stock. About 9% and 11% errors were observed for sales and shopping and healthcare facilities when validating the simulated results with the actual data. The suggested energy conservation measures could reduce the annual EUI by 10–26% depending on the building use type. The UBEM results can assist in finding energy-efficient retrofit solutions with respect to the energy and carbon reduction goal for commercial building stocks at the city scale. The limitations highlighted may be considered for higher accuracy, and the UBEM has a high potential to integrate with urban climate and energy models, circular economy, and life cycle assessment for sustainable urban planning. Full article
(This article belongs to the Section Construction Management, and Computers & Digitization)
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24 pages, 16242 KiB  
Article
Investigation into the Failure Characteristics and Mechanism of Rock with Single Elliptical Defects under Ultrasonic Vibrations
by Zhijun Niu, Xufeng Wang, Lei Zhang, Jiyao Wang, Zechao Chang, Chenlong Qian and Xuyang Chen
Fractal Fract. 2024, 8(5), 261; https://doi.org/10.3390/fractalfract8050261 (registering DOI) - 27 Apr 2024
Abstract
In order to investigate the effects of elliptical defects on rock failure under ultrasonic vibrations, ultrasonic vibration tests and PFC2D numerical simulations were conducted on rocks with single elliptical defects. The research results indicated that the fracture fractal dimension, axial strain, and [...] Read more.
In order to investigate the effects of elliptical defects on rock failure under ultrasonic vibrations, ultrasonic vibration tests and PFC2D numerical simulations were conducted on rocks with single elliptical defects. The research results indicated that the fracture fractal dimension, axial strain, and crack depth of specimens with elliptical defects at 45° and 90° were the smallest and largest, respectively. The corresponding strain and fractal dimension showed a positive linear and logarithmic function relationship with time. The maximum crack depth of 46.50 mm was observed on the specimens with an elliptical defect angle of 90°. Specimens with elliptical defects at 0°, 30°, 75°, and 90° exhibited more dense and frequent acoustic emission events than those with elliptical defects at 15°, 45°, and 60°. During the ultrasonic vibration process, the maximum total energy (87.86 kJ) and energy consumption coefficient (0.963) were observed on specimens with elliptical defect angles of 30° and 45°, respectively. The difference in the stress field led to varying degrees of plastic strain energy in the specimens, resulting in different forms of crack propagation and triggering differential acoustic emission events, ultimately leading to specimen failure with different crack shapes and depths. The fractal dimensions of elliptical defect specimens under ultrasonic vibration have a high degree of consistency with the changes in axial strain and failure depth, and the fractal dimension of defect specimens is positively correlated with the degree of failure of defect specimens. Full article
(This article belongs to the Special Issue Applications of Fractal Analysis in Underground Engineering)
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21 pages, 4151 KiB  
Article
Formation Control of Multiple Autonomous Mobile Robots Using Turkish Natural Language Processing
by Kadir Aram, Gokhan Erdemir and Burhanettin Can
Appl. Sci. 2024, 14(9), 3722; https://doi.org/10.3390/app14093722 (registering DOI) - 27 Apr 2024
Abstract
People use natural language to express their thoughts and wishes. As robots reside in various human environments, such as homes, offices, and hospitals, the need for human–robot communication is increasing. One of the best ways to achieve this communication is the use of [...] Read more.
People use natural language to express their thoughts and wishes. As robots reside in various human environments, such as homes, offices, and hospitals, the need for human–robot communication is increasing. One of the best ways to achieve this communication is the use of natural languages. Natural language processing (NLP) is the most important approach enabling robots to understand natural languages and improve human–robot interaction. Also, due to this need, the amount of research on NLP has increased considerably in recent years. In this study, commands were given to a multiple-mobile-robot system using the Turkish natural language, and the robots were required to fulfill these orders. Turkish is classified as an agglutinative language. In agglutinative languages, words combine different morphemes, each carrying a specific meaning, to create complex words. Turkish exhibits this characteristic by adding various suffixes to a root or base form to convey grammatical relationships, tense, aspect, mood, and other semantic nuances. Since the Turkish language has an agglutinative structure, it is very difficult to decode its sentence structure in a way that robots can understand. Parsing of a given command, path planning, path tracking, and formation control were carried out. In the path-planning phase, the A* algorithm was used to find the optimal path, and a PID controller was used to follow the generated path with minimum error. A leader–follower approach was used to control multiple robots. A platoon formation was chosen as the multi-robot formation. The proposed method was validated on a known map containing obstacles, demonstrating the system’s ability to navigate the robots to the desired locations while maintaining the specified formation. This study used Turtlebot3 robots within the Gazebo simulation environment, providing a controlled and replicable setting for comprehensive experimentation. The results affirm the feasibility and effectiveness of employing NLP techniques for the formation control of multiple mobile robots, offering a robust and effective method for further research and development on human–robot interaction. Full article
(This article belongs to the Special Issue Natural Language Processing: Trends and Challenges)
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12 pages, 620 KiB  
Article
Sex Disparity in the Association of Metabolic Syndrome with Cognitive Impairment
by Yi-Min Chang, Chia-Lin Lee and Jun-Sing Wang
J. Clin. Med. 2024, 13(9), 2571; https://doi.org/10.3390/jcm13092571 (registering DOI) - 27 Apr 2024
Abstract
Background/Objectives: Metabolic syndrome (MS) is a constellation of several cardiometabolic risk factors. We investigated sex disparity in the associations between MS and cognitive impairment using cross-sectional data from Taiwan Biobank. Methods: We determined the associations of MS and its five components with cognitive [...] Read more.
Background/Objectives: Metabolic syndrome (MS) is a constellation of several cardiometabolic risk factors. We investigated sex disparity in the associations between MS and cognitive impairment using cross-sectional data from Taiwan Biobank. Methods: We determined the associations of MS and its five components with cognitive impairment (mini-mental state examination, MMSE < 24) and the five domains of MMSE using logistic regression analyses. Results: A total of 7399 men and 11,546 women were included, and MS was significantly associated with cognitive impairment only in women (adjusted OR 1.48, 95% CI 1.29–1.71, p = 0.001) (p for interaction 0.005). In women, the association with MS was significant in orientation (adjusted OR 1.21, 95% CI 1.07–1.37, p = 0.003), memory (adjusted OR 1.12, 95% CI 1.01–1.25, p = 0.034) and design copying (adjusted OR 1.41, 95% CI 1.23–1.62, p = 0.001) (p value for interaction 0.039, 0.023, and 0.093, respectively). Among the components of MS, a large waist circumference (adjusted OR 1.25, 95% CI 1.08–1.46, p = 0.003), high fasting glucose (adjusted OR 1.16, 95% CI 1.00–1.34, p = 0.046), and low HDL cholesterol (adjusted OR 1.16, 95% CI 1.00–1.34, p = 0.049) were significantly associated with cognitive impairment in women. Conclusions: Our findings suggest that sex has a significant influence on the association between MS and cognitive dysfunction, especially in orientation and memory. Full article
(This article belongs to the Section Endocrinology & Metabolism)
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17 pages, 5837 KiB  
Article
A Comparison of Different Biomass Combustion Mechanisms in the Transient State
by Filipe Neves, Armando A. Soares and Abel Rouboa
Energies 2024, 17(9), 2092; https://doi.org/10.3390/en17092092 (registering DOI) - 27 Apr 2024
Abstract
Different combustion reaction process models were used to numerically study the behavior of the temperature, velocity, and turbulence fields, as well as to gain a better understanding of the differences between the reaction products obtained with each model. Transient-state simulations were conducted for [...] Read more.
Different combustion reaction process models were used to numerically study the behavior of the temperature, velocity, and turbulence fields, as well as to gain a better understanding of the differences between the reaction products obtained with each model. Transient-state simulations were conducted for a gasifier under specific operating conditions. The standard K-epsilon (2eq) turbulence model was utilized, along with the incorporation of species transport, volumetric responses, and eddy dissipation. In this study, the impacts of one-, two-, and four-step reaction mechanisms on the mass fraction of the products of the reactions, as well as the maximum values of velocity, turbulence, and temperature, were examined. The findings demonstrated that for all mechanisms, the greater maximum values of velocity and turbulence are attained at early time steps and decrease with subsequent time steps. The temperature rises as much in the early time steps and nearly stays the same in the late time steps. In all situations examined, the species’ fraction mass varies slightly in the early time steps but becomes nearly constant in the latter time stages. Similar species mass fraction values were found for both one-step and four-step methods. The results also suggest that the lower half of the gasifier is where the highest mass fraction values are found. Full article
(This article belongs to the Section A4: Bio-Energy)
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18 pages, 2603 KiB  
Article
Physiological, Transcriptome, and Metabolome Analyses Reveal the Tolerance to Cu Toxicity in Red Macroalgae Gracilariopsis lemaneiformis
by Xiaojiao Chen, Yueyao Tang, Hao Zhang, Xiaoqian Zhang, Xue Sun, Xiaonan Zang and Nianjun Xu
Int. J. Mol. Sci. 2024, 25(9), 4770; https://doi.org/10.3390/ijms25094770 (registering DOI) - 27 Apr 2024
Abstract
Heavy metal copper (Cu) will inevitably impact the marine macroalgae Gracilariopsis lemaneiformis (G. lemaneiformis), which is a culture of economic importance along China’s coastline. In this study, the detoxification mechanism of Cu stress on G. lemaneiformis was revealed by assessing physiological [...] Read more.
Heavy metal copper (Cu) will inevitably impact the marine macroalgae Gracilariopsis lemaneiformis (G. lemaneiformis), which is a culture of economic importance along China’s coastline. In this study, the detoxification mechanism of Cu stress on G. lemaneiformis was revealed by assessing physiological indicators in conjunction with transcriptome and metabolome analyses at 1 d after Cu stress. Our findings revealed that 25 μM Cu stimulated ROS synthesis and led to the enzymatic oxidation of arachidonic acid residues. This process subsequently impeded G. lemaneiformis growth by suppressing photosynthesis, nitrogen metabolism, protein synthesis, etc. The entry of Cu ions into the algae was facilitated by ZIPs and IRT transporters, presenting as Cu2+. Furthermore, there was an up-regulation of Cu efflux transporters HMA5 and ABC family transporters to achieve compartmentation to mitigate the toxicity. The results revealed that G. lemaneiformis elevated the antioxidant enzyme superoxide dismutase and ascorbate-glutathione cycle to maintain ROS homeostasis. Additionally, metabolites such as flavonoids, 3-O-methylgallic acid, 3-hydroxy-4-keto-gama-carotene, and eicosapentaenoic acid were up-regulated compared with the control, indicating that they might play roles in response to Cu stress. In summary, this study offers a comprehensive insight into the detoxification mechanisms driving the responses of G. lemaneiformis to Cu exposure. Full article
(This article belongs to the Special Issue Advance in Plant Abiotic Stress)
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14 pages, 538 KiB  
Article
The Relationship between miR-5682 and Nutritional Status of Radiotherapy-Treated Male Laryngeal Cancer Patients
by Marcin Mazurek, Anna Brzozowska, Mirosław Maziarz, Teresa Małecka-Massalska and Tomasz Powrózek
Genes 2024, 15(5), 556; https://doi.org/10.3390/genes15050556 (registering DOI) - 27 Apr 2024
Abstract
Background: Nutritional deficiencies are frequently observed in patients with head and neck cancer (HNC) undergoing radiation therapy. microRNAs (miRNAs) were found to play an important role in the development of metabolic disorders throughout regulation of genes involved in inflammatory responses. This study aimed [...] Read more.
Background: Nutritional deficiencies are frequently observed in patients with head and neck cancer (HNC) undergoing radiation therapy. microRNAs (miRNAs) were found to play an important role in the development of metabolic disorders throughout regulation of genes involved in inflammatory responses. This study aimed to explore the correlation between pre-treatment miR-5682 expression and parameters reflecting nutritional deficits in laryngeal cancer (LC) patients subjected to radiotherapy (RT). Methods: Expression of miR-5682 was analyzed in plasma samples of 56 male LC individuals. Nutritional status of LC patients was assessed using anthropometric and laboratory parameters, bioelectrical impedance analysis (BIA) and clinical questionnaires. Results: A high expression of miR-5682 was associated with significantly lower values of BMI, fat mass, fat-free mass and plasma albumin at selected periods of RT course. miR-5682 allowed us to distinguish between patients classified with both SGA-C and low albumin level from other LC patients with 100% sensitivity and 69.6% specificity (AUC = 0.820; p < 0.0001). Higher expression of studied miRNA was significantly associated with shorter median overall survival (OS) in LC patients (HR = 2.26; p = 0.008). Conclusions: analysis of miR-5682 expression demonstrates a potential clinical utility in selection of LC patients suffering from nutritional deficiencies developing as a consequence of RT-based therapy. Full article
(This article belongs to the Special Issue Non-coding RNAs in Human Health and Disease)
10 pages, 618 KiB  
Systematic Review
Plasma Exchange in Anti-Signal Recognition Particle Myopathy: A Systematic Review and Combined Analysis of Patient Individual Data
by Pablo Martínez-Rodríguez, María Escribano-Iglesias, Ángel-P. Crisolino-Pozas, Noelia Cubino-Boveda, Miriam López-Parra, Miguel Marcos and Antonio-J. Chamorro
J. Pers. Med. 2024, 14(5), 461; https://doi.org/10.3390/jpm14050461 (registering DOI) - 27 Apr 2024
Abstract
Anti-signal recognition particle myopathy (anti-SRP myopathy) is a rare subtype of immune-mediated inflammatory myopathy characterized by muscle weakness and anti-SRP autoantibodies. Although plasma exchange (PE) is used in severe cases, its role remains unclear. A systematic review was conducted following PRISMA guidelines, identifying [...] Read more.
Anti-signal recognition particle myopathy (anti-SRP myopathy) is a rare subtype of immune-mediated inflammatory myopathy characterized by muscle weakness and anti-SRP autoantibodies. Although plasma exchange (PE) is used in severe cases, its role remains unclear. A systematic review was conducted following PRISMA guidelines, identifying 23 patients with anti-SRP myopathy treated with PE. Data on demographics, clinical features, laboratory findings, treatments, and outcomes were analyzed combining individual patient data if available. Sixteen (69.6%) patients were male, with muscle weakness as the predominant symptom in 100% of cases. After PE, most patients showed improvement in symptoms, and the proportion of patients with muscle weakness was reduced (p = 0.001). Relapse occurred in 17.4% of the cases. The incidence of adverse events was low (8.7%). Despite limitations, including a small sample size and heterogeneous data, our systematic review suggests that PE may be effective in inducing remission and controlling symptoms in anti-SRP myopathy, particularly in severe cases. Since evidence on PE in anti-SRP myopathy is limited, further research, including prospective multicenter studies, is warranted to understand better its efficacy and safety and establish its role in treatment algorithms. Full article
(This article belongs to the Special Issue Clinical Decisions in Connective Tissue Disease)
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21 pages, 637 KiB  
Article
Function-Level Compilation Provenance Identification with Multi-Faceted Neural Feature Distillation and Fusion
by Yang Gao, Lunjin Liang, Yifei Li, Rui Li and Yu Wang
Electronics 2024, 13(9), 1692; https://doi.org/10.3390/electronics13091692 (registering DOI) - 27 Apr 2024
Abstract
In the landscape of software development, the selection of compilation tools and settings plays a pivotal role in the creation of executable binaries. This diversity, while beneficial, introduces significant challenges for reverse engineers and security analysts in deciphering the compilation provenance of binary [...] Read more.
In the landscape of software development, the selection of compilation tools and settings plays a pivotal role in the creation of executable binaries. This diversity, while beneficial, introduces significant challenges for reverse engineers and security analysts in deciphering the compilation provenance of binary code. To this end, we present MulCPI, short for Multi-representation Fusion-based Compilation Provenance Identification, which integrates the features collected from multiple distinct intermediate representations of the binary code for better discernment of the fine-grained function-level compilation details. In particular, we devise a novel graph-oriented neural encoder improved upon the gated graph neural network by subtly introducing an attention mechanism into the neighborhood nodes’ information aggregation computation, in order to better distill the more informative features from the attributed control flow graph. By further integrating the features collected from the normalized assembly sequence with an advanced Transformer encoder, MulCPI is capable of capturing a more comprehensive set of features manifesting the multi-faceted lexical, syntactic, and structural insights of the binary code. Extensive evaluation on a public dataset comprising 854,858 unique functions demonstrates that MulCPI exceeds the performance of current leading methods in identifying the compiler family, optimization level, compiler version, and the combination of compilation settings. It achieves average accuracy rates of 99.3%, 96.4%, 90.7%, and 85.3% on these tasks, respectively. Additionally, an ablation study highlights the significance of MulCPI’s core designs, validating the efficiency of the proposed attention-enhanced gated graph neural network encoder and the advantages of incorporating multiple code representations. Full article
(This article belongs to the Special Issue Machine Learning (ML) and Software Engineering, Volume II)

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