bluuebunny/crossref_metadata_2025 huggingface dataset:
Severe colic in a newborn dairy calf caused by a large colostrum curd: a case report
Authors: Sockett Donald C. , Pohly Andrea E. , Deering Kathleen M. , Breuer Ryan M.
Published: June 2024

A newborn female, Holstein calf weighing approximately 38.5 kg developed severe, persistent colic caused by a large colostrum curd located within the calf’s abomasum. Based upon 10% body weight, the calf had been fed 4 liters (L) of first-milking colostrum approximately 30 min after birth and an additional 2 L of first-milking colostrum 6 h after the first feeding. Both the first and second feedings used an esophageal tube feeder to deliver the colostrum. Colic developed shortly after the second colostrum feeding. The affected calf did not respond to on-farm supportive medical therapy and was humanely euthanized by a penetrating captive bolt approximately 22 h after the onset of colic. This on-farm colostrum feeding protocol is routinely observed in the current dairy industry. This case demonstrates calves that are fed large volumes of colostrum during a relatively short window of time may develop a large, firm colostrum curd within the abomasum that causes abdominal distension, colic, and occasional death. There is an urgent need for prospective analytical studies that determine the optimal immunoglobulin mass (g/L) and the ideal volume of colostrum fed to newborn calves for both the first and second colostrum feedings within the most beneficial time frame. Guidelines should be developed that minimize complications that adversely affect calf health and well-being while ensuring the successful transfer of passive immunity.
Parsing Unranked Tree Languages, Folded Once
Authors: Berglund Martin , Björklund Henrik , Björklund Johanna
Published: June 2024

A regular unranked tree folding consists of a regular unranked tree language and a folding operation that merges (i.e., folds) selected nodes of a tree to form a graph; the combination is a formal device for representing graph languages. If, in the process of folding, the order among edges is discarded so that the result is an unordered graph, then two applications of a fold operation are enough to make the associated parsing problem NP-complete. However, if the order is kept, then the problem is solvable in non-uniform polynomial time. In this paper, we address the remaining case, where only one fold operation is applied, but the order among the edges is discarded. We show that, under these conditions, the problem is solvable in non-uniform polynomial time.
Factors Associated with High Parent- and Youth-Rated Irritability Score in Early-Onset Mood Disorders: A Cross-Sectional Study with the Affective Reactivity Index (ARI)
Authors: Serra Giulia , Apicella Massimo , Andracchio Elisa , Della Santa Giorgia , Lanza Caterina , Trasolini Monia , Iannoni Maria Elena , Maglio Gino , Vicari Stefano
Published: June 2024

Correct classification of irritability is extremely important to assess prognosis and treatment indications of juvenile mood disorders. We assessed factors associated with low versus high parent- and self-rated irritability using the affective reactivity index (ARI) in a sample of 289 adolescents diagnosed with a bipolar or a major depressive disorder. Bivariate analyses were followed by multilinear logistic regression model. Factors significantly and independently associated with high versus low parent-rated ARI score were: more severe emotional dysregulation and bipolar disorders diagnosis. Factors significantly and independently associated with high versus low self-rated ARI score were: lower children depression rating scale (CDRS-R) difficulty of having fun item score, greater children depression inventory (CDI-2) self-report score, more severe emotional dysregulation, and greater CDRS-R appetite disturbance item score. High parent-rated irritability was strictly related with a bipolar disorder diagnosis, whereas high youth-rated irritability was related to depressive phenotype characterized by appetite/food-intake dysregulation, mood lability, and less anhedonia and apathy.
Cerebral Intraparenchymal Hemorrhage due to Implantation of Electrodes for Deep Brain Stimulation: Insights from a Large Single-Center Retrospective Cross-Sectional Analysis
Authors: Sajonz Bastian E. A. , Brugger Timo S. , Reisert Marco , Büchsel Martin , Schröter Nils , Rau Alexander , Egger Karl , Reinacher Peter C. , Urbach Horst , Coenen Volker A. , Kaller Christoph P.
Published: June 2024

Cerebral intraparenchymal hemorrhage due to electrode implantation (CIPHEI) is a rare but serious complication of deep brain stimulation (DBS) surgery. This study retrospectively investigated a large single-center cohort of DBS implantations to calculate the frequency of CIPHEI and identify patient- and procedure-related risk factors for CIPHEI and their potential interactions. We analyzed all DBS implantations between January 2013 and December 2021 in a generalized linear model for binomial responses using bias reduction to account for sparse sampling of CIPHEIs. As potential risk factors, we considered age, gender, history of arterial hypertension, level of invasivity, types of micro/macroelectrodes, and implanted DBS electrodes. If available, postoperative coagulation and platelet function were exploratorily assessed in CIPHEI patients. We identified 17 CIPHEI cases across 839 electrode implantations in 435 included procedures in 418 patients (3.9%). Exploration and cross-validation analyses revealed that the three-way interaction of older age (above 60 years), high invasivity (i.e., use of combined micro/macroelectrodes), and implantation of directional DBS electrodes accounted for 82.4% of the CIPHEI cases. Acquired platelet dysfunction was present only in one CIPHEI case. The findings at our center suggested implantation of directional DBS electrodes as a new potential risk factor, while known risks of older age and high invasivity were confirmed. However, CIPHEI risk is not driven by the three factors alone but by their combined presence. The contributions of the three factors to CIPHEI are hence not independent, suggesting that potentially modifiable procedural risks should be carefully evaluated when planning DBS surgery in patients at risk.
Imaging in Vulval Cancer
Authors: Ha Minah , Eva Lois
Published: June 2024

Vulval cancer is a rare gynaecological cancer, accounting for 3% of all gynaecological malignancies, with 47,000 cases in 2022 globally. Various imaging modalities are widely used in conjunction with clinical assessment in the diagnosis and staging of vulval cancers; however, there is significant heterogeneity in which modalities are recommended in international guidelines, reflecting the paucity of evidence in this area. We reviewed the current evidence for the role of imaging in vulval cancer. A systematic search of the literature was performed on the PubMed database using the MeSH terms ‘vulval neoplasm’ and ‘diagnostic imaging’. We found that there is insufficient evidence to support the routine use of imaging for primary vulval tumours. For nodal assessment, there is no ideal imaging modality with sensitivity or specificity that is superior to other modalities. For distant metastases, CT CAP and FDG-PET/CT have the most evidence to support their use. In conclusion, the evidence for role of imaging in vulval cancer is limited by the heterogeneity of the study design and diagnostic criteria used in each study and the small sample size and retrospective nature of most studies.
Predictive and Prognostic Factors in Melanoma Central Nervous System Metastases—A Cohort Study
Authors: Serra Estefania , Abarzua-Araya Álvaro , Arance Ana , Martin-Huertas Roberto , Aya Francisco , Olondo María Lourdes , Rizo-Potau Daniel , Malvehy Josep , Puig Susana , Carrera Cristina , Podlipnik Sebastian
Published: June 2024

Background: Melanoma is the cancer with the highest risk of dissemination to the central nervous system (CNS), one of the leading causes of mortality from this cancer. Objective: To identify patients at higher risk of developing CNS metastases and to evaluate associated prognostic factors. Methods: A cohort study (1998–2023) assessed patients who developed CNS melanoma metastases. Multivariate logistic regression was used to identify predictive factors at melanoma diagnosis for CNS metastasis. Cox regression analysis evaluated the CNS-independent metastasis-related variables impacting survival. Results: Out of 4718 patients, 380 (8.05%) developed CNS metastases. Multivariate logistic regression showed that a higher Breslow index, mitotic rate ≥ 1 mm2, ulceration, and microscopic satellitosis were significant risk factors for CNS metastasis development. Higher patient age and the location of the primary tumor in the upper or lower extremities were protective factors. In survival analysis, post-CNS metastasis, symptomatic disease, prior non-CNS metastases, CNS debut with multiple metastases, elevated LDH levels, and leptomeningeal involvement correlated with poorer survival. Conclusion: Predictive factors in the primary tumor independently associated with brain metastases include microscopic satellitosis, ulceration, higher Breslow index, and trunk location. Prognostic factors for lower survival in CNS disease include symptomatic disease, multiple CNS metastases, and previous metastases from different sites.
The Culprit behind the Mass Death of Mangroves: Egrets or Rats (Rattus losea)?
Authors: Xue Yunhong , Liu Wenai , Pan Lianghao , Tao Yancheng , Liao Xin , Liang Qiuxia , Wu Huiying , Jiang Weiguo
Published: June 2024

Mangroves play a crucial role in maintaining coastal ecological balance. This study focused on the impact of branch-breaking behavior on the mortality of Rhizophora stylosa in the Guangxi Shankou Mangrove Reserve. However, we found mangrove mortality in areas devoid of egret habitation, prompting a reevaluation of our research hypothesis. Further investigation suggested that nesting behavior was the primary cause of mangrove mortality. A comparison of the data from areas with egrets (Egretta garzetta, Ardea intermedia) and lesser rice-field rats (Rattus losea) activity indicated significant mechanical damage caused by rats to mangroves as the main cause of mortality. Additionally, we found that the biological characteristics of R. stylosa, particularly its stunted growth and recovery abilities after branch breaking, were key factors affecting its survival. These findings imply that rat-induced mortality may not occur in other less susceptible mangrove species. The results contradict assumptions regarding the impact of egret behavior and highlight the importance of the biological characteristics of R. stylosa. This offers fresh insights into mangrove conservation and management, emphasizing the need for ongoing observation and hypotheses verification. Future studies should explore the influence of lesser rice-field rats’ activity and the intrinsic characteristics of R. stylosa on the ecosystem’s long-term stability.
Spatio-Temporal Assessment of Heterogeneity by Logging Intensity in a Federal Concession Area in the Brazilian Amazon
Authors: Oliveira Afonso Henrique Moraes , Freitas Lucas José Mazzei de , Magliano Mauro Mendonça , Chaves José Humberto , Dias Carlos Tadeu dos Santos , Martorano Lucieta Guerreiro
Published: June 2024

The logging intensity often does not take into account the spatial heterogeneity of the forest volume of commercial native species in the Brazilian Amazon. This study aims to evaluate the spatio-temporal heterogeneity distribution by assessing logging intensity and its effects on the volumetric stock and abundance of commercial species, with a focus on sustainable management practices. This study was conducted in the Saracá-Taquera National Forest in the Brazilian Amazon. Forest inventory data, elevation, and PlanetScope satellite images were integrated into a geographic information system. The information was aggregated into regular 1-hectare cells for the times before, during, and after logging (t0, t1, and t2). The unsupervised classification algorithm k-means with four clusters was used to analyze heterogeneity. Before logging, areas with higher commercial volumes were distant from water bodies, while areas with lower elevation had lower wood stocks. Logging intensity was generally low, concentrating on a few trees per hectare. Logging in the study area revealed a heterogeneous spatial distribution by intensifying in areas with the highest wood stocks. These results suggest that, in addition to the recommended logging intensity according to legislation, forest heterogeneity should be considered by the manager, promoting adaptive strategies to ensure the conservation of forest resources.
Social Media Influencers: Customer Attitudes and Impact on Purchase Behaviour
Authors: Ilieva Galina , Yankova Tania , Ruseva Margarita , Dzhabarova Yulia , Klisarova-Belcheva Stanislava , Bratkov Marin
Published: June 2024

Social media marketing has become a crucial component of contemporary business strategies, significantly influencing brand visibility, customer engagement, and sales growth. The aim of this study is to investigate and determine the key factors guiding customer attitudes towards social media influencers, and, on that basis, to explore their effects on purchase intentions regarding advertised products or services. A total of 376 filled-in questionnaires from an online survey were analysed. The main characteristics of digital influencers’ behaviour that affect consumer perceptions have been systematized and categorized through a combination of both traditional and advanced data analysis methods. Structural equation modelling (SEM), machine learning and multi-criteria decision-making (MCDM) methods were selected to uncover the hidden dependencies between variables from the perspective of social media users. The developed models elucidate the underlying relationships that shape the acceptance mechanism of influencers’ messages. The obtained results provide specific recommendations for stakeholders across the social media marketing value chain. Marketers can make informed decisions and optimize influencer marketing strategies to enhance user experience and increase conversion rates. Working collaboratively, marketers and influencers can create impactful and successful marketing campaigns that resonate with the target audience and drive meaningful results. Customers benefit from more tailored and engaging influencer content that aligns with their interests and preferences, fostering a stronger connection with brands and potentially affecting their purchase decisions. As the perception of customer satisfaction is an individual and evolving process, stakeholders should organize regular evaluations of influencer marketing data and explore the possibilities to ensure the continuous improvement of this e-marketing channel.
Research on Spatial Magnetic Field Distribution of Magnetic Fluids Based on Microstructure
Authors: Zhang Bin , Zhang Yapeng
Published: June 2024

This study focuses on the spatial magnetic field distribution of magnetic fluids, an extraordinary class of fluids composed of magnetic nanoparticles (MNPs), employing the Monte Carlo method to simulate the microstructure of magnetic fluids under an external magnetic field. On that basis, a model was established through magnetic dipole theory to delve into the spatial magnetic field distribution of magnetic fluids. The findings reveal that the application of a magnetic field leads to the formation of chain-like structures within the magnetic fluids, resulting in inhomogeneous spatial magnetic field distribution. The size and concentration of MNPs are crucial determinants that significantly affect the microstructure of magnetic fluid and its spatial magnetic field distribution. Furthermore, environmental conditions such as external magnetic field strength or temperature can also regulate the positions of MNPs within magnetic fluids and the spatial magnetic field distribution of the magnetic fluids. These observations enrich the comprehension of the fundamental mechanisms of magnetic fluids and their response to diverse factors, advancing the growing comprehension on the characteristics and applications of these remarkable magnetic fluids.
Digital Light Processing of 19F MRI-Traceable Gelatin-Based Biomaterial Inks towards Bone Tissue Regeneration
Authors: Szabó Anna , Kolouchova Kristyna , Parmentier Laurens , Herynek Vit , Groborz Ondrej , Van Vlierberghe Sandra
Published: June 2024

Gelatin-based photo-crosslinkable hydrogels are promising scaffold materials to serve regenerative medicine. They are widely applicable in additive manufacturing, which allows for the production of various scaffold microarchitectures in line with the anatomical requirements of the organ to be replaced or tissue defect to be treated. Upon their in vivo utilization, the main bottleneck is to monitor cell colonization along with their degradation (rate). In order to enable non-invasive visualization, labeling with MRI-active components like N-(2,2-difluoroethyl)acrylamide (DFEA) provides a promising approach. Herein, we report on the development of a gelatin-methacryloyl-aminoethyl-methacrylate-based biomaterial ink in combination with DFEA, applicable in digital light processing-based additive manufacturing towards bone tissue regeneration. The fabricated hydrogel constructs show excellent shape fidelity in line with the printing resolution, as DFEA acts as a small molecular crosslinker in the system. The constructs exhibit high stiffness (E = 36.9 ± 4.1 kPa, evaluated via oscillatory rheology), suitable to serve bone regeneration and excellent MRI visualization capacity. Moreover, in combination with adipose tissue-derived stem cells (ASCs), the 3D-printed constructs show biocompatibility, and upon 4 weeks of culture, the ASCs express the osteogenic differentiation marker Ca2+.
Advanced Packaging Techniques—A Mini-Review of 3D Printing Potential
Authors: Witek-Krowiak Anna , Szopa Daniel , Anwajler Beata
Published: June 2024

Packaging and packaging technology constitute a pivotal industry deeply intertwined with our daily lives and prevalent in various settings, including grocery stores, supermarkets, restaurants, and pharmacies. The industry is constantly evolving thanks to technological advances. This article delves into the dynamic landscape of 3D printing in packaging, exploring its profound implications and potential. While this article highlights the advantages of traditional packaging approaches, it also highlights the many benefits of 3D printing technology. It describes how 3D printing enables personalization, rapid prototyping, and low-cost production, streamlining packaging design and manufacturing processes. Offering innovative solutions in design, functionality, and accessibility, the potential of 3D printing in packaging is promising.
Radio-Frequency Conductivity Characteristics and Corresponding Mechanism of Graphene/Copper Multilayer Structures
Authors: Guo Chongxiao , Song Jian , Ni Jiamiao , Liu Yue , Fan Tongxiang
Published: June 2024

High-radio-frequency (RF) conductivity is required in advanced electronic materials to reduce the electromagnetic loss and power dissipation of electronic devices. Graphene/copper (Gr/Cu) multilayers possess higher conductivity than silver under direct current conditions. However, their RF conductivity and detailed mechanisms have rarely been evaluated at the micro scale. In this work, the RF conductivity of copper–copper (P-Cu), monolayer-graphene/copper (S-Gr/Cu), and multilayer-graphene/copper (M-Gr/Cu) multilayer structures were evaluated using scanning microwave impedance microscopy (SMIM) and dielectric resonator technique. The results indicated that the order of RF conductivity was M-Gr/Cu < P-Cu < S-Gr/Cu at 3 GHz, contrasting with P-Cu < M-Gr/Cu < S-Gr/Cu at DC condition. Meanwhile, the same trend of M-Gr/Cu < P-Cu < S-Gr/Cu was also observed using the dielectric resonator technique. Based on the conductivity-related Drude model and scattering theory, we believe that the microwave radiation can induce a thermal effect at S-Gr/Cu interfaces, leading to an increasing carrier concentration in S-Gr. In contrast, the intrinsic defects in M-Gr introduce additional carrier scattering, thereby reducing the RF conductivity in M-Gr/Cu. Our research offers a practical foundation for investigating conductive materials under RF conditions.
Synthesis of Novel Nitro-Halogenated Aryl-Himachalene Sesquiterpenes from Atlas Cedar Oil Components: Characterization, DFT Studies, and Molecular Docking Analysis against Various Isolated Smooth Muscles
Authors: Edder Youssef , Louchachha Issam , Faris Abdelmajid , Maatallah Mohamed , Azzaoui Khalil , Zerrouk Mohammed , Saadi Mohamed , El Ammari Lahcen , Berraho Moha , Merzouki Mohammed , Boualy Brahim , Hammouti Belkheir , Sabbahi Rachid , Karim Abdallah , Alanazi Mohammed M. , Ayerdi Gotor Alicia , Rhazi Larbi
Published: June 2024

We report the synthesis of two novel halogenated nitro-arylhimachalene derivatives: 2-bromo-3,5,5,9-tetramethyl-1-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulene (bromo-nitro-arylhimachalene) and 2-chloro-3,5,5,9-tetramethyl-1,4-dinitro-6,7,8,9-tetrahydro-5H-benzo[7]annulene (chloro-dinitro-arylhimachalene). These compounds were derived from arylhimachalene, an important sesquiterpene component of Atlas cedar essential oil, via a two-step halogenation and nitration process. Characterization was performed using 1H and 13C NMR spectrometry, complemented by X-ray structural analysis. Quantum chemical calculations employing density functional theory (DFT) with the Becke3-Lee-Yang-parr (B3LYP) functional and a 6-31++G(d,p) basis set were conducted. The optimized geometries of the synthesized compounds were consistent with X-ray structure data. Frontier molecular orbitals and molecular electrostatic potential (MEP) profiles were identified and discussed. DFT reactivity indices provided insights into the compounds’ behaviors. Moreover, Hirshfeld surface and 2D fingerprint analyses revealed significant intermolecular interactions within the crystal structures, predominantly H–H and H–O contacts. Molecular docking studies demonstrate strong binding affinities of the synthesized compounds to the active site of protein 7B2W, suggesting potential therapeutic applications against various isolated smooth muscles and neurotransmitters.
Oxymatrine Attenuates Ulcerative Colitis through Inhibiting Pyroptosis Mediated by the NLRP3 Inflammasome
Authors: Sun Jing , Wang Shuai , Zhao Zhengtian , Lu Jiaqi , Zhang Yiming , An Wen , Li Wei , Yang Li , Tong Xiaowei
Published: June 2024

Ulcerative colitis (UC) is difficult to cure and easy to relapse, leading to poor quality of life for patients. Oxymatrine (OMT) is one of the main alkaloids of Sophora flavescens Aiton, which has many effects, such as anti-inflammation, anti-oxidative stress, and immunosuppression. This study aimed to investigate whether OMT could attenuate ulcerative colitis by inhibiting the NOD-like receptor family pyrin domain containing three (NLRP3) inflammasome-mediated pyroptosis. In this study, the UC rat models were established by 2,4,6-Trinitrobenzenesulfonic acid (TNBS) in vivo, while RAW264.7 cells and peritoneal macrophages were stimulated with Lipopolysaccharides/Adenosine Triphosphate (LPS/ATP) in vitro to simulate pyroptosis models, and Western blotting (WB) and other detection techniques were applied to analyze proteins involved in the NLRP3 inflammasome pathway. Our results showed that OMT alleviated colitis ulcers and pathological damage in the TNBS-induced UC rats and exhibited an inhibitory effect on pyroptosis at the early stage of UC. In the model group, the pyroptosis reached the peak at 24 h after modeling with the contents of active-cysteine-aspartic proteases-1 (caspase-1), Gasdermin D (GSDMD)-N, and cleaved-interleukin-1 beta (IL-1β) to the highest expression level. Meanwhile, we found that OMT (80 mg kg−1) remarkably decreased the expression levels of NLRP3, active-caspase-1, and cleaved-IL-1β at 24 h in the lesion tissue from UC rats. Further experiments on cells demonstrated that OMT at concentrations of 100 and 250 μM significantly inhibited cell death caused by NLRP3 inflammasome activation (p < 0.05), downregulated caspase-1, GSDMD, and decreased the levels of active-caspase-1, GSDMD-N, cleaved-IL-1β in RAW326.7 cells, and peritoneal macrophages. In summary, these results indicated that OMT could attenuate ulcerative colitis through inhibiting pyroptosis mediated by the NLRP3 inflammasome. The inhibition of the NLRP3 inflammasome may be a potential strategy for UC.
Five Underutilized Ecuadorian Fruits and Their Bioactive Potential as Functional Foods and in Metabolic Syndrome: A Review
Authors: Duarte-Casar Rodrigo , González-Jaramillo Nancy , Bailon-Moscoso Natalia , Rojas-Le-Fort Marlene , Romero-Benavides Juan Carlos
Published: June 2024

The Ecuadorian Amazon harbors numerous wild and cultivated species used as food, many of which are underutilized. This review explores the bioactive potential of five such fruits—Borojó (Alibertia patinoi); Chonta (Bactris gasipaes); Arazá (Eugenia stipitata); Amazon grape (Pourouma cecropiifolia), a wild edible plant; and Cocona (Solanum sessiliflorum)—and their applications against metabolic syndrome. This study highlights their health-promoting ingredients and validates traditional medicinal properties, emphasizing their significance in improving health and mitigating the effects of the Western diet. These fruits, integral to Ecuadorian cuisine, are consumed fresh and processed. Chonta is widely cultivated but less prominent than in pre-Hispanic times, Borojó is known for its aphrodisiac properties, Cocona is traditional in northern provinces, Arazá is economically significant in food products, and Amazon grape is the least utilized and researched. The fruits are rich in phenolics (A. patinoi, E. stipitata) and carotenoids (B. gasipaes, E. stipitata), which are beneficial in controlling metabolic syndrome. This study advocates for more research and product development, especially for lesser-known species with high phenolic and anthocyanin content. This research underscores the economic, cultural, and nutritional value of these fruits, promoting their integration into modern diets and contributing to sustainable agriculture, cultural preservation, and public health through functional foods and nutraceuticals.
Copper (II) Level in Musts Affects Acetaldehyde Concentration, Phenolic Composition, and Chromatic Characteristics of Red and White Wines
Authors: Errichiello Francesco , Picariello Luigi , Forino Martino , Blaiotta Giuseppe , Petruzziello Ernesto , Moio Luigi , Gambuti Angelita
Published: June 2024

Copper (II), a vital fungicide in organic viticulture, also acts as a wine oxidation catalyst. However, limited data are currently available on the impact that maximum allowed copper (II) ion doses in wine grapes at harvest can have on aged wine quality. This was the focus of the present study. We investigated the copper (II) effects by producing both white and red wines from musts containing three initial metal concentrations according to the limits set for organic farming. In detail, the influence of copper (II) on fermentation evolution, chromatic characteristics, and phenolic compounds was evaluated. Interestingly, the white wine obtained with the highest permitted copper (II) dose initially exceeded the concentration of 1.0 mg/L at fermentation completion. However, after one year of storage, the copper (II) content fell below 0.2 ± 0.01 mg/L. Conversely, red wines showed copper (II) levels below 1.0 mg/L at the end of fermentation, but the initial copper (II) level in musts significantly affected total native anthocyanins, color intensity, hue, and acetaldehyde concentration. After 12-month aging, significant differences were observed in polymeric pigments, thus suggesting a potential long-term effect of copper (II) on red wine color stability.
Stereoselective Solid-State Synthesis of Biologically Active Cyclobutane and Dicyclobutane Isomers via Conformation Blocking and Transference
Authors: Qin Zhen , Gu Yunqiong , Young Davidjames , Hu Feilong , Luo Zhirong
Published: June 2024

Conformations in the solid state are typically fixed during crystallization. Transference of “frozen” C=C conformations in 3,5-bis((E)-2-(pyridin-4-yl)vinyl)methylbenzene (CH3-3,5-bpeb) by photodimerization selectively yielded cyclobutane and dicyclobutane isomers, one of which (Isomer 2) exhibited excellent in vitro anti-cancer activity towards T-24, 7402, MGC803, HepG-2, and HeLa cells.
EMPDTA: An End-to-End Multimodal Representation Learning Framework with Pocket Online Detection for Drug–Target Affinity Prediction
Authors: Huang Dingkai , Xie Jiang
Published: June 2024

Accurately predicting drug–target interactions is a critical yet challenging task in drug discovery. Traditionally, pocket detection and drug–target affinity prediction have been treated as separate aspects of drug–target interaction, with few methods combining these tasks within a unified deep learning system to accelerate drug development. In this study, we propose EMPDTA, an end-to-end framework that integrates protein pocket prediction and drug–target affinity prediction to provide a comprehensive understanding of drug–target interactions. The EMPDTA framework consists of three main modules: pocket online detection, multimodal representation learning for affinity prediction, and multi-task joint training. The performance and potential of the proposed framework have been validated across diverse benchmark datasets, achieving robust results in both tasks. Furthermore, the visualization results of the predicted pockets demonstrate accurate pocket detection, confirming the effectiveness of our framework.
Exploring the Antitumor Efficacy of N-Heterocyclic Nitrilotriacetate Oxidovanadium(IV) Salts on Prostate and Breast Cancer Cells
Authors: Chmur Katarzyna , Tesmar Aleksandra , Zdrowowicz Magdalena , Rosiak Damian , Chojnacki Jarosław , Wyrzykowski Dariusz
Published: June 2024

The crystal structures of two newly synthesized nitrilotriacetate oxidovanadium(IV) salts, namely [QH][VO(nta)(H2O)](H2O)2 (I) and [(acr)H][VO(nta)(H2O)](H2O)2 (II), were determined. Additionally, the cytotoxic effects of four N-heterocyclic nitrilotriacetate oxidovanadium(IV) salts—1,10-phenanthrolinium, [(phen)H][VO(nta)(H2O)](H2O)0.5 (III), 2,2′-bipyridinium [(bpy)H][VO(nta)(H2O)](H2O) (IV), and two newly synthesized compounds (I) and (II)—were evaluated against prostate cancer (PC3) and breast cancer (MCF-7) cells. All the compounds exhibited strong cytotoxic effects on cancer cells and normal cells (HaCaT human keratinocytes). The structure–activity relationship analysis revealed that the number and arrangement of conjugated aromatic rings in the counterion had an impact on the antitumor effect. The compound (III), the 1,10-phenanthrolinium analogue, exhibited the greatest activity, whereas the acridinium salt (II), with a different arrangement of three conjugated aromatic rings, showed the lowest toxicity. The increased concentrations of the compounds resulted in alterations to the cell cycle distribution with different effects in MCF-7 and PC3 cells. In MCF-7 cells, compounds I and II were observed to block the G2/M phase, while compounds III and IV were found to arrest the cell cycle in the G0/G1 phase. In PC3 cells, all compounds increased the rates of cells in the G0/G1 phase.
Nutritional Status of Adolescents in Eastern Sudan: A Cross-Sectional Community-Based Study
Authors: Ahmed Mohammed Ahmed A. , Al-Nafeesah Abdullah , Alfaifi Jaber , AlEed Ashwaq , Adam Ishag
Published: June 2024

Background: Malnutrition among adolescents is a major public health issue. This problem is particularly pressing in Sudan, an African country where there is scarce published data on the nutritional status of adolescents. In this study, we aimed to assess the nutritional status of adolescents in eastern Sudan. Methods: A community-based cross-sectional survey was carried out in Gadarif, eastern Sudan. A questionnaire was used to collect sociodemographic data, and the anthropometric measurements (weight and height) of adolescent participants were recorded. Height-for-age and body mass index-for-age Z-scores were calculated using the WHO anthropometric standards. Binary and multivariate multinomial regression analyses were performed. Results: A total of 388 adolescents were included in this survey, 207 (53.4%) were female, and 181 (46.6%) were male. The median (interquartile) age was 13.9 (12.0–16.0) years. The results showed that a total of 29 (7.5%), 93 (24.0%), 33 (8.5%), and 16 (4.1%) adolescents were stunted, thin, overweight, and obese, respectively. None of the investigated factors (age, sex, parents’ education levels, and occupation) were associated with stunting. In the multivariate multinomial analysis, the male sex was associated with thinness (OR = 2.41, 95.0% CI = 1.47–3.94). Moreover, adolescents whose mothers had an education lower than secondary level were at a lower risk of overweight/obesity (OR = 0. 0.35, 95.0% CI = 0. 0.35). Conclusions: While both undernutrition and overnutrition exist in eastern Sudan, undernutrition is more common. Male sex and mothers’ education levels are associated with malnutrition.
Assessment of Skin Autofluorescence and Its Association with Glycated Hemoglobin, Cardiovascular Risk Markers, and Concomitant Chronic Diseases in Children with Type 1 Diabetes
Authors: Jankowska Marta , Szadkowska Agnieszka , Pietrzak Iwona , Chrzanowski Jędrzej , Sołek Julia , Fendler Wojciech , Mianowska Beata
Published: June 2024

Skin autofluorescence (sAF) measurement is a non-invasive method used to assess tissue advanced glycation end product (AGE) accumulation. This study aims to characterize sAF’s association with (1) glycated hemoglobin (HbA1c) values, (2) cardiovascular risk markers, and (3) common comorbidities (autoimmune thyroiditis, celiac disease) in children with type 1 diabetes (T1D). Materials and methods: A total of 348 children with T1D aged 3–18 years and 85 age- and gender-matched control subjects were enrolled. sAF was quantified using an AGE Reader (Diagnoptics BV, The Netherlands). The analysis covered HbA1c, blood lipid, and C-reactive protein (CRP) levels, ambulatory blood pressure monitoring records, and body composition parameters. The associations between variables and sAF were assessed using the Mann–Whitney U test and Spearman correlation. Results: We observed significantly higher sAF values in the T1D group compared to the control (1.40 [1.27–1.53] vs. 1.20 [1.07–1.30, AU]; p = 0.004), consistent across all tested age groups. In the T1D group, sAF was positively correlated with current HbA1c, mean of historical HbA1c values, and T1D duration (r values, respectively: 0.27, 0.22, 0.14, all p < 0.01). Percentage of body fat was positively correlated with sAF (r = 0.120; p = 0.044). No significant correlations were found between sAF and lipid fractions, Z-score of BMI, parameters from 24 h ambulatory blood pressure monitoring, or the amount of albumin excreted in urine. sAF was positively correlated with CRP (r = 0.17, p < 0.05). sAF was significantly higher in patients with concomitant celiac disease (1.53 [1.43–1.63] vs. 1.40 [1.27–1.53, AU], p = 0.001). Conclusion: Among young T1D patients with relatively brief diabetes duration, sAF effectively mirrors prior glycemic control, as presented by historical average HbA1c. However, associations with conventional CV risk markers are not evident. The higher sAF values in patients with celiac disease warrant further exploration.
Nutritional Quality of the Mid-Afternoon Snack of Schooled Children between the Ages of 3 and 12 Years in Three Areas in Spain
Authors: González-Campins Cristina , Soler Laura Ferrer , Guasch-Niubó Olívia , San Onofre Nadia , Aguilar Martínez Alicia , Martínez-García Alba , Manera Maria , Salvador Gemma , Bach-Faig Anna
Published: June 2024

Background: The aim of this study was to analyze the nutritional quality of mid-afternoon snacks for schooled children aged 3 to 12 years in three areas of Catalonia (Spain). Methods: A descriptive observational study collected information on habits and the mid-afternoon snack of 782 schooled children aged 3 to 12 years in three cities, Barcelona, Girona, and Lleida, located in Catalonia (Spain). The children’s families voluntarily agreed to complete an online questionnaire that collected information about demographic data and snacking habits in the afternoon, as well as a record of mid-afternoon snack intake over three school days. Results: A total of 2163 mid-afternoon snacks were analyzed from a sample of 764 families with 3 to 12 year-old children. Sandwiches emerged as the most prevalent choice, accounting for 41.89%, followed by pastries at 23.86%, fruit at 14.38%, and a combination of fruit and pastries at 6.29%. Of the mid-afternoon snacks recorded, 22.19% were healthy, 20.90% were quite healthy, 12.85% were quite unhealthy, and 44.06% were unhealthy. Conclusions: The nutritional quality of mid-afternoon snacks for a large majority of schooled children should be improved. It is essential to develop food education programs to improve the quality of this intake from early childhood and to consider it as an opportunity to adjust the daily dietary requirements of Spanish children.
Microbiome and Metabolite Analysis Insight into the Potential of Shrimp Head Hydrolysate to Alleviate Depression-like Behaviour in Growth-Period Mice Exposed to Chronic Stress
Authors: Hu Lianhua , Ye Weichang , Deng Qi , Wang Chen , Luo Jinjin , Huang Ling , Fang Zhijia , Sun Lijun , Gooneratne Ravi
Published: June 2024

Chronic stress (CS) endangers the physical and mental health of adolescents. Therefore, alleviating and preventing such negative health impacts are a top priority. This study explores the effect of feeding shrimp head hydrolysate (SHH) on gut microbiota, short-chain fatty acids (SCFAs), and neurotransmitters in growing C57BL/6 mice subjected to chronic unpredictable mild stress. Mice in the model group and three SHH groups were exposed to CS for 44 days, distilled water and SHH doses of 0.18, 0.45, 0.90 g/kg·BW were given respectively by gavage daily for 30 days from the 15th day. The results showed that SHH can significantly reverse depression-like behaviour, amino acids degradation, α diversity and β diversity, proportion of Firmicutes and Bacteroidota, abundance of genera such as Muribaculaceae, Bacteroides, Prevotellaceae_UCG-001, Parabacteroides and Alistipes, concentration of five short-chain fatty acids (SCFAs), 5-HT and glutamate induced by CS. Muribaculaceae and butyric acid may be a controlled target. This study highlights the potential and broad application of SHH as an active ingredient in food to combat chronic stress damage.
Advanced Dentistry Biomaterials Containing Graphene Oxide
Authors: Prodan Doina , Moldovan Marioara , Cuc Stanca , Sarosi Codruţa , Petean Ioan , Filip Miuța , Carpa Rahela , Doukeh Rami , Mirica Ioana-Codruta
Published: June 2024

The aim of this study was to obtain three experimental resin-based cements containing GO and HA-Ag for posterior restorations. The samples (S0, S1, and S2) shared the same polymer matrix (BisGMA, TEGDMA) and powder mixture (bioglass (La2O3 and Sr-Zr), quartz, GO, and HA-Ag), with different percentages of graphene oxide (0%, 0.1%, 0.2% GO) and silver-doped hydroxyapatite (10%, 9.9%, 9.8% HA-Ag). The physical–chemical properties (water absorption, degree of conversion), mechanical properties (DTS, CS, FS), structural properties (SEM, AFM), and antibacterial properties (Staphylococcus aureus, Enterococcus faecalis, Streptococcus mutans, Porphyromonas gingivalis, and Escherichia coli) were investigated. The results showed that the mechanical properties, except for the diametral tensile test, increased with the rise in the %GO. After 28 days, water absorption increased with the rise in the %GO. The surface structure of the samples did not show major changes after water absorption for 28 days. The antibacterial effects varied depending on the samples and bacterial strains tested. After increasing the %GO and decreasing the %HA-Ag, we observed a more pronounced antibacterial effect. The presence of GO, even in very small percentages, improved the properties of the tested experimental cements.
Impact of Climate Change on International Tourism Evidence from Baltic Sea Countries
Authors: Atstāja Dzintra , Cakrani Edmira
Published: June 2024

The societal consequences of climate change are still hard to measure, mostly because it is difficult to connect the physical effects of climate change to economic processes and because future climate change and economic estimates are unpredictable. The tourism industry is one of the areas where evaluating the effects of climate change has proven to be especially challenging. The primary influencing environmental elements in the coastal waters of the Baltic Sea are expected to alter as a result of climate change. This study investigates the impact of climate change on the growth of tourism in the Baltic Sea Region, focusing on international tourism. To analyze the possible short-run and long-run impact of climate change on international tourism, a dynamic panel model is used, with data for the period 2005–2022. International tourism is measured through the inbound travel expenditure and the number of overnight visitors. The effect of climate change is captured through the variables of temperature and precipitation, with real GDP and government effectiveness as control variables. Results show a significant negative impact of climate change variables on international tourism in the Baltic Sea countries. There are relatively few studies on the impact of climate change on the tourism industry in the Baltic region; this article complements the existing literature on this very important issue.
Configuring Socio-Environmental Risks in Chile: Institutional Narratives and Complexities in a Risk Society
Authors: Vallejos-Romero Arturo , Sáez Ardura Felipe , Cordoves-Sánchez Minerva , Cisternas César , Lehtonen Markku , Sánchez Galvis Luz Karime , Boso Àlex
Published: June 2024

Living in a society characterized by risk has distinct implications for developing countries, where addressing the socio-environmental issues within established governance structures is challenging. This study aims to investigate the risks identified by the main relevant institutions in Chile based on the narratives of their authorities and how these are configured differently according to the regions and areas involved. Using a qualitative method based on individual interviews conducted with 57 representatives of institutions present in eight regions of the country, a differentiated configuration is identified depending on the institution and the region where they perform their functions. The main findings show that (1) the narrative relevance of the risks in Chile continues to be intensely based on natural hazards, (2) there are clear regional and macro-regional differences in the configuration of socio-environmental risks, showing significant institutional complexity, and (3) the ongoing challenges with deregulated events create high-level uncertainty in matters relevant to society. It is concluded that although the country is experiencing a complex crossroads in terms of the transition towards risk policies, a challenging effort would be to combine regulatory efficiency both in traditional risk problems and in the new criteria of the global development agenda.
Naturally and Anthropogenically Induced Lingulodinium polyedra Dinoflagellate Red Tides in the Galician Rias (NW Iberian Peninsula)
Authors: Prego Ricardo , Bao Roberto , Varela Manuel , Carballeira Rafael
Published: June 2024

Despite the fact that the first red tide reported on the coasts of the Iberian Peninsula was due to Lingulodinium polyedra, knowledge about their frequency and, particularly, about the environmental conditions contributing to bloom initiation is still scarce. For this reason, L. polyedra bloom episodes were observed and studied in three Galician rias during the summer season based on the 1993–2008 record database period; additionally, samples were collected in summer 2008. Proliferations of L. polyedra occurred in the rias of Ares and Barqueiro in June and August, respectively, while in the Ria of Coruña, they persisted from the end of June to early September. Red tides developed when the surface temperature reached 17 °C, with “seasonal thermal window” conditions, and when salinities were ≥30, i.e., an “optimal salinity window”; when these parameters were lower than these thresholds, cyst germination decreased. A cyst transport mechanism from sediments to the surface must also exist; this mechanism was found to be natural (tidal currents) in the ria of Barqueiro or anthropogenic (dredging) in the rias of Ares and Coruña. Surface temperatures during summer were usually favorable for cyst germination (85 to 100%) during the 1993–2008 period; however, water temperatures below 10 m depth only rarely reached the 17 °C threshold (2 to 18%). During this 16-year period, dredging activities could explain 71% (Coruña) and 44% (Ares) of the recorded bloom events. When a bloom episode developed in early summer, favorable conditions did not lead to a new red tide, probably due to the lag period required by cysts for germination. Moreover, blooms did not develop when high densities of diatoms (>1,000,000 cells·L−1) remained in the water column as a result of summer upwelling pulses occurring in specific years. The temperature–sediment disturbance pattern found in this study provides a useful tool for the prevention of eventual risks resulting from red tides of this dinoflagellate.
Assessment of Water Quality of Key Dams in Jordan for Irrigation Purposes with Insights on Parameter Thresholds
Authors: Gharaibeh Mamoun A. , Albalasmeh Ammar A. , Obeidat Mohammad M.
Published: June 2024

Dams play a vital role as a primary water supply for irrigation in Jordan, necessitating an assessment of their water quality. This study aimed to evaluate the suitability of irrigation water in a key number of Jordanian dams, namely Al Kafrain, Al Waala, King Talal (KTD), Mujib, Shuaib, and Sharhabil. Monthly readings of major water parameters (EC, Cl−, SO42−, HCO3−, Na+, Ca2+, and Mg2+) were recorded for seven years (2015–2021) for each dam. The assessment criteria included the sodium adsorption ratio (SAR), soluble sodium percentage (SSP), residual sodium carbonate (RSC), magnesium adsorption ratio (MAR), kelley ratio (KR), total hardness (TH), and water quality index (WQI) using both average (APL) and maximum permissible limits (MPL). Additionally, USSL, Wilcox, Doneen, Piper, and Gibbs diagrams were applied. The findings indicate that all the dams demonstrated suitability for irrigation based on the SAR, SSP, RSC, MAR, and KR values. The USSL diagrams showed most samples falling under C2S1 and C3S1, except KTD, which fell under C3S2. According to the Wilcox diagram, the water was either Excellent to Good or Good to Permissible, while the KTD water was classified as Permissible to Doubtful. Furthermore, the water chemistry was found to be mainly influenced by rock weathering, as revealed in the Gibbs diagram, and has no restriction on permeability, according to the Doneen diagram. The WQI showed that all the dams fall in the Good and Excellent category for irrigation using APL, while applying MPL, all the dams were in the Excellent category, which demonstrates the necessity of considering extreme events and regulatory thresholds.