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9 pages, 753 KiB  
Article
Combined Genetic and Transcriptional Study Unveils the Role of DGAT1 Gene Mutations in Congenital Diarrhea
by Jingqing Zeng, Jing Ma, Lan Wang, Zhaohui Deng and Ruen Yao
Biomedicines 2025, 13(8), 1897; https://doi.org/10.3390/biomedicines13081897 - 4 Aug 2025
Abstract
Background: Congenital diarrhea is persistent diarrhea that manifests during the neonatal period. Mutations in DGAT1, which is crucial for triglyceride synthesis and lipid absorption in the small intestine, are causal factors for congenital diarrhea. In this study, we aimed to determine [...] Read more.
Background: Congenital diarrhea is persistent diarrhea that manifests during the neonatal period. Mutations in DGAT1, which is crucial for triglyceride synthesis and lipid absorption in the small intestine, are causal factors for congenital diarrhea. In this study, we aimed to determine the value of tissue RNA sequencing (RNA-seq) for assisting with the clinical diagnosis of some genetic variants of uncertain significance. Methods: We clinically evaluated a patient with watery diarrhea, vomiting, severe malnutrition, and total parenteral nutrition dependence. Possible pathogenic variants were detected using whole-exome sequencing (WES). RNA-seq was utilized to explore the transcriptional alterations in DGAT1 variants identified by WES with unknown clinical significance, according to the American College of Medical Genetics guidelines. Systemic examinations, including endoscopic and histopathological examinations of the intestinal mucosa, were conducted to rule out other potential diagnoses. Results: We successfully diagnosed a patient with congenital diarrhea and protein-losing enteropathy caused by a DGAT1 mutation and reviewed the literature of 19 cases of children with DGAT defects. The missense mutation c.620A>G, p.Lys207Arg located in exon 15, and the intronic mutation c.1249-6T>G in DGAT1 were identified by WES. RNA-seq revealed two aberrant splicing events in the DGAT1 gene of the patient’s small intestinal tissue. Both variants lead to loss-of-function consequences and are classified as pathogenic variants of congenital diarrhea. Conclusions: Rare DGAT1 variants were identified as pathogenic evidence of congenital diarrhea, and the detection of tissue-specific mRNA splicing and transcriptional effects can provide auxiliary evidence. Full article
(This article belongs to the Section Molecular and Translational Medicine)
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14 pages, 857 KiB  
Review
Human Anisakidosis with Intraoral Localization: A Narrative Review
by Stylianos Papadopoulos, Vasileios Zisis, Konstantinos Poulopoulos, Christina Charisi and Athanasios Poulopoulos
Parasitologia 2025, 5(3), 41; https://doi.org/10.3390/parasitologia5030041 (registering DOI) - 4 Aug 2025
Abstract
Objectives: Anisakidosis is an emerging, cosmopolitan, and underdiagnosed parasitic disease caused by the accidental ingestion of third-stage anisakid larvae when consuming raw or improperly prepared seafood. Within hours to days of consuming infected raw seafood, patients may develop acute gastrointestinal symptoms including pain, [...] Read more.
Objectives: Anisakidosis is an emerging, cosmopolitan, and underdiagnosed parasitic disease caused by the accidental ingestion of third-stage anisakid larvae when consuming raw or improperly prepared seafood. Within hours to days of consuming infected raw seafood, patients may develop acute gastrointestinal symptoms including pain, nausea, vomiting, diarrhea and/or constipation, as live anisakid larvae attach to the gastric, or more rarely, the intestinal mucosa. Cases have been reported in which the nematodes succeed at migrating from the stomach upwards to the esophagus and then the oral cavity. Therefore, the purpose of the present literature review is to collect, analyze, summarize and present the relevant epidemiological, clinical, diagnostic, parasitological, therapeutic, and prognostic data concerning anisakidosis localized inside the oral cavity. Methods: An electronic search of the PubMed, Scopus, and Ovid databases was performed with them being accessed for the last time on 29 March 2025. Results: The present literature review identified 13 individual case reports of oral mucosa anisakidosis, which were published in the period 1971–2022. Conclusions: Our review aims to summarize the relevant epidemiological, clinical, diagnostic, parasitological, therapeutic, and prognostic data regarding the oral localization of anisakidosis, a helminthic infection caused by the accidental ingestion of live anisakid larvae and which manifests mainly with gastrointestinal symptoms. Its localization in the oral mucosa appears to be exceptionally rare and, in most cases, occurs with a characteristic clinical picture, defined by the onset of acute mouth or throat pain immediately after the consumption of raw seafood and by the observation of one or more larvae, either lying on or penetrating the oral mucosa. Despite its rarity, dental health professionals and other clinicians should be aware of this disease and the possibility of its intraoral localization, since environmental factors on the one hand, and the adoption of foreign dietary habits on the other, will likely make anisakidosis a much more common disease worldwide in the near future. Full article
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18 pages, 8099 KiB  
Article
Machine Learning-Based Recursive Prediction and Application of Green’s Function of Water-Wave Radiation and Diffraction
by Minmin Zheng, Xinsheng Fan, Chuanqing Li, Jianpeng Li, Duolun He and Renchuan Zhu
J. Mar. Sci. Eng. 2025, 13(8), 1488; https://doi.org/10.3390/jmse13081488 - 1 Aug 2025
Viewed by 96
Abstract
The frequency-domain free-surface Green’s function method is widely used in solving ship hydrodynamic problems, with its core challenge lying in the computation of the Green’s function and its partial derivatives. This study analyzes the relationship between the free-surface Green’s function and its derivatives, [...] Read more.
The frequency-domain free-surface Green’s function method is widely used in solving ship hydrodynamic problems, with its core challenge lying in the computation of the Green’s function and its partial derivatives. This study analyzes the relationship between the free-surface Green’s function and its derivatives, proposing a machine learning-based recursive prediction method termed the pulsating source recursive prediction method. The accuracy and efficiency of this method under various parameter settings are investigated, and its application to the hydrodynamic calculations of container ship S175 and a bulk carrier is demonstrated. Results show that the predicted Green’s function achieves an accuracy of 3–6 decimals, with computational efficiency surpassing numerical methods and matching analytical approaches. The hydrodynamic results are reliable, confirming the method’s practical value. Full article
(This article belongs to the Special Issue Advancements in Marine Hydrodynamics and Structural Optimization)
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32 pages, 4311 KiB  
Article
Proteomics-Based Prediction of Candidate Effectors in the Interaction Secretome of Trichoderma harzianum and Pseudocercospora fijiensis
by Jewel Nicole Anna Todd, Karla Gisel Carreón-Anguiano, Gabriel Iturriaga, Roberto Vázquez-Euán, Ignacio Islas-Flores, Miguel Tzec-Simá, Miguel Ángel Canseco-Pérez, César De Los Santos-Briones and Blondy Canto-Canché
Microbiol. Res. 2025, 16(8), 175; https://doi.org/10.3390/microbiolres16080175 - 1 Aug 2025
Viewed by 100
Abstract
Microbe–microbe interactions have been explored at the molecular level to a lesser degree than plant–pathogen interactions, primarily due to the economic impact of crop losses caused by pathogenic microorganisms. Effector proteins are well known for their role in disease development in many plant–pathogen [...] Read more.
Microbe–microbe interactions have been explored at the molecular level to a lesser degree than plant–pathogen interactions, primarily due to the economic impact of crop losses caused by pathogenic microorganisms. Effector proteins are well known for their role in disease development in many plant–pathogen pleinteractions, but there is increasing evidence showing their involvement in other types of interaction, including microbe–microbe interactions. Through the use of LC-MS/MS sequencing, effector candidates were identified in the in vitro interaction between a banana pathogen, Pseudocercospora fijiensis and a biological control agent, Trichoderma harzianum. The diverse interaction secretome revealed various glycoside hydrolase families, proteases and oxidoreductases. T. harzianum secreted more proteins in the microbial interaction compared to P. fijiensis, but its presence induced the secretion of more P. fijiensis proteins that were exclusive to the interaction secretome. The interaction secretome, containing 256 proteins, was screened for effector candidates using the algorithms EffHunter and WideEffHunter. Candidates with common fungal effector motifs and domains such as LysM, Cerato-platanin, NPP1 and CFEM, among others, were identified. Homologs of true effectors and virulence factors were found in the interaction secretome of T. harzianum and P. fijiensis. Further characterization revealed a potential novel effector of T. harzianum. Full article
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15 pages, 4972 KiB  
Article
In Vivo Biocompatibility Assessment of a Novel Cyanoacrylate–Polylactic Acid Hemostatic Patch
by Alexandru Ilie-Ene, Victor P. Tosa, Luciana M. Gherman, Lorena M. Hantig, Madalin M. Onofrei, Lavinia P. Mocan, Carmen M. Mihu, Catalin O. Popa and George C. Dindelegan
Materials 2025, 18(15), 3581; https://doi.org/10.3390/ma18153581 - 30 Jul 2025
Viewed by 242
Abstract
Background and Objectives: Although cyanoacrylate–polylactic acid (CA + PLA) patches shorten the time to hemostasis after partial hepatectomy, their long-term biocompatibility remains uncertain. We compared the 5-month histopathological footprint of a novel CA + PLA patch (Study group) with a licensed fibrinogen/thrombin matrix [...] Read more.
Background and Objectives: Although cyanoacrylate–polylactic acid (CA + PLA) patches shorten the time to hemostasis after partial hepatectomy, their long-term biocompatibility remains uncertain. We compared the 5-month histopathological footprint of a novel CA + PLA patch (Study group) with a licensed fibrinogen/thrombin matrix (TachoSil® group) and electrocautery (Control group). Methods: Thirty-three male Wistar rats underwent a 3 × 1.5 cm hepatic segment resection and were randomized to the Control (n = 5), Study (n = 14), or TachoSil® (n = 14) group. The animals were sacrificed on postoperative day (POD) 50, 100, or 150. Blinded semiquantitative scoring (0–3) was used to capture inflammation intensity, and the number of neutrophils (PMNs), lymphocytes (Ly’s), isolated histiocytes, and foreign-body giant cells (FBGCs). Results: The proportions of animals in each group across the different sacrifice time points were homogeneous (χ2 = 4.34, p = 0.36). The median inflammation remained mild (2 [IQR 1–2]) in the Control and Study groups but lower in the TachoSil® group (1 [1–2], p = 0.47). The FBGC scores differed markedly (score ≥ 2: 64% in Study, 0% in Control, 14% in TachoSil®; p < 0.001). Fibrosis occurred almost exclusively in the Study group (79% vs. 0%; χ2 = 22.4, p < 0.001). Mature vessels were most frequently observed in the TachoSil® group (50%, aOR = 5.1 vs. Study, p = 0.04). Abscesses only developed in the Study group (29%, p = 0.046). Within the TachoSil® group, inflammation (ρ = −0.62, p = 0.019) and Ly infiltration (ρ = −0.76, p = 0.002) declined with time; no significant temporal trends emerged in the Study group. Conclusions: At the five-month follow-up, there was an exuberant foreign-body reaction, dense collagen deposition, and a higher abscess rate around the CA + PLA patch compared with both TachoSil® and cautery. Conversely, TachoSil® evolved toward a mature, well-vascularized scar with waning inflammation. These findings underscore the importance of chronic-phase evaluation before clinical adoption of new hemostatic biomaterials. Full article
(This article belongs to the Special Issue Materials for Drug Delivery and Medical Engineering)
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27 pages, 18566 KiB  
Article
Geochemical Characteristics and Controlling Factors of Lower Cretaceous Lacustrine Hydrocarbon Source Rocks in the Erdengsumu Sag, Erlian Basin, NE China
by Juwen Yao, Zhanli Ren, Kai Qi, Jian Liu, Sasa Guo, Guangyuan Xing, Yanzhao Liu and Mingxing Jia
Processes 2025, 13(8), 2412; https://doi.org/10.3390/pr13082412 - 29 Jul 2025
Viewed by 179
Abstract
This study analyzes the lacustrine hydrocarbon source rocks of the Lower Cretaceous in the Erdengsumu sag of the Erlian Basin, evaluating their characteristics and identifying areas with oil resource potential, while also investigating the ancient lake environment, material source input, and controlling factors, [...] Read more.
This study analyzes the lacustrine hydrocarbon source rocks of the Lower Cretaceous in the Erdengsumu sag of the Erlian Basin, evaluating their characteristics and identifying areas with oil resource potential, while also investigating the ancient lake environment, material source input, and controlling factors, ultimately developing a sedimentary model for lacustrine hydrocarbon source rocks. The findings suggest the following: (1) The lower Tengger Member (K1bt1) and the Aershan Formation (K1ba) are the primary oil-producing strata, with an effective hydrocarbon source rock exhibiting a lower limit of total organic carbon (TOC) at 0.95%. The Ro value typically remains below 0.8%, indicating that high-maturity oil production has not yet been attained. (2) The oil generation threshold depths for the Dalestai and Sayinhutuge sub-sags are 1500 m and 1214 m, respectively. The thickness of the effective hydrocarbon source rock surpasses 200 m, covering areas of 42.48 km2 and 88.71 km2, respectively. The cumulative hydrocarbon generation intensity of wells Y1 and Y2 is 486 × 104 t/km2 and 26 × 104 t/km2, respectively, suggesting that the Dalestai sub-sag possesses considerable petroleum potential. The Aershan Formation in the Chagantala sub-sag has a maximum burial depth of merely 1800 m, insufficient to attain the oil generation threshold depth. (3) The research area’s productive hydrocarbon source rocks consist of organic matter types I and II1. The Pr/Ph range is extensive (0.33–2.07), signifying a reducing to slightly oxidizing sedimentary environment. This aligns with the attributes of small fault lake basins, characterized by shallow water and robust hydrodynamics. (4) The low ratio of ∑nC21−/∑nC22+ (0.36–0.81), high CPI values (>1.49), and high C29 sterane concentration suggest a substantial terrestrial contribution, with negligible input from aquatic algae–bacterial organic matter. Moreover, as sedimentation duration extends, the contribution from higher plants progressively increases. (5) The ratio of the width of the deep depression zone to the width of the depression in the Erdengsumu sag is less than 0.25. The boundary fault scale is small, its activity is low, and there is not much input from the ground. Most of the source rocks are in the reducing sedimentary environment of the near-lying gently sloping zone. Full article
(This article belongs to the Topic Petroleum and Gas Engineering, 2nd edition)
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18 pages, 6852 KiB  
Article
A Novel Anti-BoNT/A Neutralizing Antibody Possessed Overlapped Epitope with SV2 and Had Prolonged Half-Life In Vivo
by Shangde Peng, Naijing Hu, Fenghao Peng, Huirong Mu, Zihan Yi, Cong Xing, Liang Zhang, Wen Hu, Xinyi Zhou, Yan Wen, Jiannan Feng and Chunxia Qiao
Toxins 2025, 17(8), 376; https://doi.org/10.3390/toxins17080376 - 29 Jul 2025
Viewed by 262
Abstract
The C-terminus of the BoNT/A heavy chain (BoNT/AHC) mediates binding to its receptor, SV2, a critical step for toxicity. Antibody inhibition of this interaction enhances neuronal survival. We previously identified a functional anti-BoNT/AHC nanobody, HM. To extend its in vivo half-life, we designed [...] Read more.
The C-terminus of the BoNT/A heavy chain (BoNT/AHC) mediates binding to its receptor, SV2, a critical step for toxicity. Antibody inhibition of this interaction enhances neuronal survival. We previously identified a functional anti-BoNT/AHC nanobody, HM. To extend its in vivo half-life, we designed and prepared two Fc-optimized nanoparticles, HM-Fc5 and HM-Fc6. Structural modeling (homology/docking) of the HM Fv-AHC complex predicted that HM engages key AHC residues (Tyr1155, Phe1160, Ile1161, Val1184, Asn1188, Lys1189, Glu1190), which overlap with the SV2 binding site. This suggests HM’s protective mechanism involves blocking toxin-receptor binding and cellular entry. HM-Fc5 and HM-Fc6 retained the stability and function of the parental HM antibody while exhibiting prolonged in vivo half-life. These optimized nanobodies offer economical candidates potentially enabling longer dosing intervals, beneficial for prophylaxis or chronic disease treatment. Significance Statement: The purpose of the study is to design and prepare two Fc optimized nanoparticles, HM-Fc5 and HM-Fc6, and predict the key residues involved in the interaction between HMs and AHC. The experimental results showed that HM-Fc5 and HM-Fc6 have the same stability as the parent HM antibody but have a longer half-life in vivo. The key residues Tyr1155, Phe1160, Ile1161, Val1184, Asn1188, Lys1189, and Glu1190 overlap with the SV2 binding site. Our experimental results indicate that these nanobody candidates are not only more economical and convenient, but may also have longer dosing intervals, providing strong evidence and reference for prolonging the in vivo half-life of nanomaterials. Full article
(This article belongs to the Section Bacterial Toxins)
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12 pages, 680 KiB  
Communication
Epidemiology and Genomic Characterization of Trichophyton mentagrophytes over a Period of 4 Years in Northern Italy
by Luca Rossi, Annarita Sorrentino, Caterina Signoretto and Paolo Gaibani
J. Fungi 2025, 11(8), 566; https://doi.org/10.3390/jof11080566 - 29 Jul 2025
Viewed by 263
Abstract
Dermatophytes are keratinophilic fungi that cause a wide range of superficial infections in humans and animals. The Trichophyton mentagrophytes species complex is one of the most clinically important groups due to its broad host range, widespread distribution, and increasing involvement in antifungal-resistant infections. [...] Read more.
Dermatophytes are keratinophilic fungi that cause a wide range of superficial infections in humans and animals. The Trichophyton mentagrophytes species complex is one of the most clinically important groups due to its broad host range, widespread distribution, and increasing involvement in antifungal-resistant infections. Here, we described the epidemiology of T. mentagrophytes over a period of 4 years detected in the northeastern part of Italy and provided the genomic characterization of clinical isolates. ITS sequence analysis revealed that among the 13 strains studied, 11 belonged to the T. mentagrophytes complex. In detail, nine were classified as genotype I/II and two as genotype VII. Analysis of the SQLE gene revealed that nine strains harbored a wild-type gene, while two carried a Lys276Asn mutation. Genomic analysis was performed on three clinical T. mentagrophytes strains that belonged to genotype I/II, revealing the presence of different virulence factors including MEP-1, MEP-2, MEP-3, and MEP-5. Phylogenetic analysis based on core-genome SNPs demonstrated that the two genomes included in this study were clonally related to a T. mentagrophytes strain isolated in China in 2024. In conclusion, our study highlights the importance of genomic characterization in order to trace the epidemiology of dermatophytes worldwide and to characterize emerging strains. Full article
(This article belongs to the Collection Superficial Fungal Infections)
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24 pages, 5313 KiB  
Article
The Influence of Gravity Gradient on the Inertialess Stratified Flow and Vortex Structure over an Obstacle in a Narrow Channel
by Karanvir Singh Grewal, Roger E. Khayat and Kelly A. Ogden
Fluids 2025, 10(8), 195; https://doi.org/10.3390/fluids10080195 - 29 Jul 2025
Viewed by 194
Abstract
The current study examines the influence of a varying gravity field and its interaction with density stratification. This represents a novel area in baroclinic flow analysis. The classical vortex and internal wave structures in stratified flows are shown to be significantly modified when [...] Read more.
The current study examines the influence of a varying gravity field and its interaction with density stratification. This represents a novel area in baroclinic flow analysis. The classical vortex and internal wave structures in stratified flows are shown to be significantly modified when gravity varies with height. Vortices may shift, stretch, or weaken depending on the direction and strength of gravity variation, and internal waves develop asymmetries or damping that are not present under constant gravity. We examine the influence of gravity variation on the flow of both homogeneous and density-stratified fluids in a channel with topography consisting of a Gaussian obstacle lying at the bottom of the channel. The flow is without inertia, induced by the translation of the top plate. Both the density and gravity are assumed to vary linearly with height, with the minimum density at the moving top plate. The narrow-gap approach is used to generate the flow field in terms of the pressure gradient along the top plate, which, in turn, is obtained in terms of the bottom topography and the three parameters of the problem, namely, the Froude number and the density and gravity gradients. The resulting stream function is a fifth-order polynomial in the vertical coordinate. In the absence of stratification, the flow is smooth, affected rather slightly by the variable topography, with an essentially linear drop in the pressure induced by the contraction. For a weak stratified fluid, the streamlines become distorted in the form of standing gravity waves. For a stronger stratification, separation occurs, and a pair of vortices generally appears on the two sides of the obstacle, the size of which depends strongly on the flow parameters. The influence of gravity stratification is closely coupled to that of density. We examine conditions where the coupling impacts the pressure and the velocity fields, particularly the onset of gravity waves and vortex flow. Only a mild density gradient is needed for flow separation to occur. The influence of the amplitude and width of the obstacle is also investigated. Full article
(This article belongs to the Section Geophysical and Environmental Fluid Mechanics)
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8 pages, 1696 KiB  
Case Report
Topical Chlormethine Gel in the Treatment of Lymphomatoid Papulosis: A Case Report and Literature Review
by Miriam Teoli, Martina Caviglia, Federica Rega, Luca Barbieri, Marco Ardigò and Victor Desmond Mandel
J. Clin. Med. 2025, 14(15), 5338; https://doi.org/10.3390/jcm14155338 - 29 Jul 2025
Viewed by 305
Abstract
Background: Lymphomatoid papulosis (LyP) is a primary cutaneous CD30-positive T-cell lymphoproliferative disorder presenting with self-healing erythematous papulonodular lesions that may ulcerate and scar. Treatment varies by lesion extent, location, and severity. Case Report: We describe a 57-year-old man with acral LyP [...] Read more.
Background: Lymphomatoid papulosis (LyP) is a primary cutaneous CD30-positive T-cell lymphoproliferative disorder presenting with self-healing erythematous papulonodular lesions that may ulcerate and scar. Treatment varies by lesion extent, location, and severity. Case Report: We describe a 57-year-old man with acral LyP successfully treated with chlormethine gel (CG). The patient experienced impaired second finger mobility for over 3 months due to an ulcerated nodular mass. After 3 months of CG treatment, complete remission, symptom resolution, and full joint recovery were achieved. Six months post-treatment, the patient remained in remission. Conclusions: This case underscores the effectiveness of CG in achieving sustained remission in acral LyP, suggesting its potential as a treatment option for this rare condition. Full article
(This article belongs to the Section Dermatology)
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16 pages, 2943 KiB  
Article
Long Short-Term Memory-Based Fall Detection by Frequency-Modulated Continuous Wave Millimeter-Wave Radar Sensor for Seniors Living Alone
by Yun Seop Yu, Seongjo Wie, Hojin Lee, Jeongwoo Lee and Nam Ho Kim
Appl. Sci. 2025, 15(15), 8381; https://doi.org/10.3390/app15158381 - 28 Jul 2025
Viewed by 206
Abstract
In this study, four types of fall detection systems for seniors living alone using x-y scatter and Doppler range images measured from frequency-modulated continuous wave (FMCW) millimeter-wave (mmWave) sensors were introduced. Despite advancements in fall detection, existing long short-term memory (LSTM)-based approaches often [...] Read more.
In this study, four types of fall detection systems for seniors living alone using x-y scatter and Doppler range images measured from frequency-modulated continuous wave (FMCW) millimeter-wave (mmWave) sensors were introduced. Despite advancements in fall detection, existing long short-term memory (LSTM)-based approaches often struggle with effectively distinguishing falls from similar activities of daily living (ADLs) due to their uniform treatment of all time steps, potentially overlooking critical motion cues. To address this limitation, an attention mechanism has been integrated. Data was collected from seven participants, resulting in a dataset of 669 samples, including 285 falls and 384 ADLs with walking, lying, inactivity, and sitting. Four LSTM-based architectures for fall detection were proposed and evaluated: Raw-LSTM, Raw-LSTM-Attention, HOG-LSTM, and HOG-LSTM-Attention. The histogram of oriented gradient (HOG) method was used for feature extraction, while LSTM networks captured temporal dependencies. The attention mechanism further enhanced model performance by focusing on relevant input features. The Raw-LSTM model processed raw mmWave radar images through LSTM layers and dense layers for classification. The Raw-LSTM-Attention model extended Raw-LSTM with an added self-attention mechanism within the traditional attention framework. The HOG-LSTM model included an additional preprocessing step upon the RAW-LSTM model where HOG features were extracted and classified using an SVM. The HOG-LSTM-Attention model built upon the HOG-LSTM model by incorporating a self-attention mechanism to enhance the model’s ability to accurately classify activities. Evaluation metrics such as Sensitivity, Precision, Accuracy, and F1-Score were used to compare four architectural models. The results showed that the HOG-LSTM-Attention model achieved the highest performance, with an Accuracy of 95.3% and an F1-Score of 95.5%. Optimal self-attention configuration was found at a 2:64 ratio of number of attention heads to channels for keys and queries. Full article
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22 pages, 5405 KiB  
Article
Effects of Foliar and Root Application of Different Amino Acids on Mini-Watermelon
by Huiyu Wang, Hongxu Wang, Jing Zong, Jinghong Hao, Jin Xu, Mingshan Qu, Ting Li and Yingyan Han
Horticulturae 2025, 11(8), 877; https://doi.org/10.3390/horticulturae11080877 - 28 Jul 2025
Viewed by 340
Abstract
Biostimulants, particularly single amino acids, can increase plant growth and crop quality, gaining significant attention. This study investigates the effects of 10 amino acids via root/foliar application on the growth, quality, taste, and volatile flavor of mini-watermelons and compares the differences between the [...] Read more.
Biostimulants, particularly single amino acids, can increase plant growth and crop quality, gaining significant attention. This study investigates the effects of 10 amino acids via root/foliar application on the growth, quality, taste, and volatile flavor of mini-watermelons and compares the differences between the application methods. Here, we employed electronic noses, electronic tongues, and gas chromatography–ion mobility spectrometry to investigate these effects. Root application excels in fruit growth and pectin accumulation, while foliar application boosts soluble protein and specific nutrients. Specifically, root application (except for Val) significantly increases fruit weight, with Gly being most effective for longitudinal diameter, while most amino acids (except Val/Lys) promote transverse diameter. Pectin content shows bidirectional regulation: root application of Glu/Gly/Lys/Pro/Trp/Val enhances pectin, whereas foliar application inhibits it. For taste indices, most treatments improve soluble solids (except Glu root/Arg-Leu foliar), and Ala/Asp/Glu/Gly reduce titratable acids, optimizing the sugar–acid ratio. Foliar application is more efficient for soluble protein accumulation (Ala/Glu/Gly/Pro/Leu). For nutritional quality, except for Lys, all treatments increase vitamin C and widely promote total phenolics and lycopene, with only minor exceptions, and only Arg foliar application enhances ORAC. Additionally, the results revealed that root-applied lysine and valine greatly raised the levels of hexanal and 2-nonenal, whereas foliar-applied valine significantly increased n-nonanal and (Z)-6-nonenal. Overall, we found that amino acids can considerably improve mini-watermelon production, quality, taste, and antioxidant capacity, providing theoretical and practical references for their widespread use in agriculture. Full article
(This article belongs to the Special Issue Effects of Biostimulants on Horticultural Crop Production)
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22 pages, 2394 KiB  
Article
Synthesis and Molecular Modeling of Antioxidant and Anti-Inflammatory Five-Membered Heterocycle–Cinnamic Acid Hybrids
by Konstantinos Theodoridis, Eleftherios Charissopoulos, Dimitra Tsioumela and Eleni Pontiki
Molecules 2025, 30(15), 3148; https://doi.org/10.3390/molecules30153148 - 27 Jul 2025
Viewed by 614
Abstract
In this study, the design and synthesis of a novel series of cinnamic acid and 1,2,4-triazole hybrids were reported, aiming to enhance antioxidant and lipoxygenase inhibitory activities through pharmacophore combination. Cinnamic acid derivatives and 1,2,4-triazoles exhibit a broad spectrum of biological activities; therefore, [...] Read more.
In this study, the design and synthesis of a novel series of cinnamic acid and 1,2,4-triazole hybrids were reported, aiming to enhance antioxidant and lipoxygenase inhibitory activities through pharmacophore combination. Cinnamic acid derivatives and 1,2,4-triazoles exhibit a broad spectrum of biological activities; therefore, by synthesizing hybrid molecules, we would like to exploit the beneficial characteristics of each scaffold. The general synthetic procedure comprises three synthetic steps, starting from the reaction of appropriate substituted cinnamic acid with hydrazine monohydrate in acetonitrile with cyclohexane and resulting in the formation of hydrazides. Consequently, the hydrazides reacted with phenylisothiocyanate under microwave irradiation conditions. Then, cyclization proceeded to the 1,2,4-triazole after the addition of NaOH solution and microwave irradiation. All the synthesized derivatives have been studied for their ability (a) to interact with the free radical DPPH, (b) inhibit lipid peroxidation induced by AAPH, and (c) inhibit soybean lipoxygenase. The synthesized derivatives have shown significant antioxidant activity and have been proved to be very good lipoxygenase inhibitors. Compounds 4b and 4g (IC50 = 4.5 μM) are the most potent within the series followed by compound 6a (IC50 = 5.0 μM). All the synthesized derivatives have been subjected to docking studies related to soybean lipoxygenase. Compound 4g exhibited a docking score of −9.2 kcal/mol and formed hydrophobic interactions with Val126, Tyr525, Lys526, Arg533, and Trp772, as well as a π−cation interaction with Lys526. Full article
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17 pages, 1725 KiB  
Article
Ring Opening upon Valence Shell Excitation in β-Butyrolactone: Experimental and Theoretical Methods
by Pedro A. S. Randi, Márcio H. F. Bettega, Nykola C. Jones, Søren V. Hoffmann, Małgorzata A. Śmiałek and Paulo Limão-Vieira
Molecules 2025, 30(15), 3137; https://doi.org/10.3390/molecules30153137 - 26 Jul 2025
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Abstract
The valence-shell electronic state spectroscopy of β-butyrolactone (CH3CHCH2CO2) is comprehensively investigated by employing experimental and theoretical methods. We report a novel vacuum ultraviolet (VUV) absorption spectrum in the photon wavelength range from 115 to 320 nm (3.9–10.8 [...] Read more.
The valence-shell electronic state spectroscopy of β-butyrolactone (CH3CHCH2CO2) is comprehensively investigated by employing experimental and theoretical methods. We report a novel vacuum ultraviolet (VUV) absorption spectrum in the photon wavelength range from 115 to 320 nm (3.9–10.8 eV), together with ab initio quantum chemical calculations at the time-dependent density functional (TD-DFT) level of theory. The dominant electronic excitations are assigned to mixed valence-Rydberg and Rydberg transitions. The fine structure in the CH3CHCH2CO2 photoabsorption spectrum has been assigned to C=O stretching, v7a, CH2 wagging, v14a, C–O stretching, v22a, and C=O bending, v26a modes. Photolysis lifetimes in the Earth’s atmosphere from 0 km up to 50 km altitude have been estimated, showing to be a non-relevant sink mechanism compared to reactions with the OH radical. The nuclear dynamics along the C=O and C–C–C coordinates have been investigated at the TD-DFT level of theory, where, upon electronic excitation, the potential energy curves show important carbonyl bond breaking and ring opening, respectively. Within such an intricate molecular landscape, the higher-lying excited electronic states may keep their original Rydberg character or may undergo Rydberg-to-valence conversion, with vibronic coupling as an important mechanism contributing to the spectrum. Full article
(This article belongs to the Special Issue Advances in Density Functional Theory (DFT) Calculation)
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Article
The Inhibitory Effect and Adsorption Properties of Testagen Peptide on Copper Surfaces in Saline Environments: An Experimental and Computational Study
by Aurelian Dobriţescu, Adriana Samide, Nicoleta Cioateră, Oana Camelia Mic, Cătălina Ionescu, Irina Dăbuleanu, Cristian Tigae, Cezar Ionuţ Spînu and Bogdan Oprea
Molecules 2025, 30(15), 3141; https://doi.org/10.3390/molecules30153141 - 26 Jul 2025
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Abstract
Experimental and theoretical studies were applied to investigate the adsorption properties of testagen (KEDG) peptide on copper surfaces in sodium chloride solution and, implicitly, its inhibition efficiency (IE) on metal corrosion. The tetrapeptide synthesized from the amino acids lysine (Lys), glutamic acid (Glu), [...] Read more.
Experimental and theoretical studies were applied to investigate the adsorption properties of testagen (KEDG) peptide on copper surfaces in sodium chloride solution and, implicitly, its inhibition efficiency (IE) on metal corrosion. The tetrapeptide synthesized from the amino acids lysine (Lys), glutamic acid (Glu), aspartic acid (Asp), and glycine (Gly), named as H-Lys-Glu-Asp-Gly-OH, achieved an inhibition efficiency of around 86% calculated from electrochemical measurements, making KEDG a promising new copper corrosion inhibitor. The experimental data were best fitted to the Freundlich adsorption isotherm. The standard free energy of adsorption (ΔGadso) reached the value of −30.86 kJ mol−1, which revealed a mixed action mechanism of tetrapeptide, namely, chemical and physical spontaneous adsorption. The copper surface characterization was performed using optical microscopy and SEM/EDS analysis. In the KEDG presence, post-corrosion, SEM images showed a network surface morphology including microdeposits with an acicular appearance, and EDS analysis highlighted an upper surface layer consisting of KEDG, sodium chloride, and copper corrosion compounds. The computational study based on DFT and Monte Carlo simulation confirmed the experimental results and concluded that the spontaneous adsorption equilibrium establishment was the consequence of the contribution of noncovalent (electrostatic, van der Waals) interactions and covalent bonds. Full article
(This article belongs to the Section Computational and Theoretical Chemistry)
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