structural

Identification and Infrared Spectroscopic Study of Lapachol, β-Lapachone and Hydroxy-hydrolapachol

Published on: 6th July, 2023

Metabolites of Brazilian Cerrado species are considered an immense font of biologically active compounds The diversity of organic compounds generated by the secondary metabolism of various Cerrado plants draws attention especially because many of these compounds have the capacity to be structurally modified and, consequently, produce other very interesting derivatives for pharmacological purposes. Despite this, little is described in the literature about fast, easy, and accessible identification methods for any laboratory, such as infrared spectroscopy. In this sense, this work demonstrates the synthesis and elucidation through spectroscopic techniques of lapachol and its synthetic derivatives. Through quick and simple extractions or reactions, lapachol, β-lapachone, and hydroxy-hydrolapachol were obtained with adequate yields. From this, the main FTIR absorptions of the mentioned naphthoquinones are described, which facilitates the identification of these metabolites with high biological potential. The present work contributes could become a simpler source of data for extraction, synthesis, and spectroscopic characterization by FTIR of the compounds.
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Utilization of Molecular Simulation Applications for Stability Testing of Anthocyanin Compounds in Black Elderberry

Published on: 1st September, 2023

Recently, many studies on the molecular activity of compounds have been carried out using simulations through computer programs or in silico simulations. Anthocyanins are one of the compounds that are often used as food coloring agents and can function as antioxidants to prevent blockage of blood vessels, as an anti-cancer that can prevent the development of cancer cells and tumors and have anti-inflammatory effects. The purpose of the research is to determine the stability of anthocyanins using molecular simulations and determine the best mixing sequence of ingredients to produce the most stable anthocyanin mixture. Based on the results of the simulations carried out, it can be proven that the final 3 sets (the modeled compound belonging to namely AP and AZ followed by a number based on the simulation order) selected are AP17, AP18, and AZ17. The AP17 set had the lowest potential energy at the end of molecular dynamics simulations, but molecular visualization showed structural instability indicated by the formation of gaps in the molecular conformation. The AP18 set had the second lowest potential energy at the end of molecular dynamics simulations and molecular visualization showed molecular conformation that tended to be stable during molecular simulations with no change in structure. The AZ17 set had the highest potential energy of the final 3 sets selected and molecular visualization showed a gap in the conformation at the beginning of the simulation, but over time the gap became denser, indicating that the molecule became more stable over time. Based on the research results, the AP18 set was chosen because it has relatively low potential energy and it can be proven that the structure visualization of this set tends to be more stable over time during molecular dynamics simulations.
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Determination of the Effect of Zinc Acetate as a Doped Substance on the Properties of Cadmium Sulfide Nanomaterials by using a Hydrothermal Interaction Technique

Published on: 14th September, 2023

In the current work, cadmium sulfide nanoparticles (CdS) NPs were synthesized via the hydrothermal interaction technique. Especially, the deviation in zinc Acetate Zn(CH3CO2)2 with 0.5% 1.5%, and 2.25% was examined for its part in nanoparticles size. The nanoparticle size seems to reduce from 149.7 nm to 116.3 nm by enhancing the zinc acetate Zn(CH3CO2)2. With increasing zinc acetate Zn(CH3CO2)2 in CdS (Cadmium Sulfide) small lattice phase changes appeared due to angle peaks of diffraction shifting toward higher angle. The standard crystallite size and lattice parameters were analyzed through X-ray diffraction (XRD) characterization. The average crystallite size and volume unit cell were found to increment with increasing Zinc acetate Zn(CH3CO2)2 concentrations. Absorption peaks in the UV visible spectra corresponding to zinc acetate Zn(CH3CO2)2 of CdS (Cadmium Sulfide) were analyzed at various wavelengths of 368 nm and 369 and 371nm. These findings show the tuning ability of structural, and optical characteristics of cadmium sulfide (CdS) NPs.
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Interconnection and Communication between Bone Marrow - The Central Immune System - And the Central Nervous System

Published on: 25th September, 2023

Bone marrow and the central nervous system are both protected by bone. The two systems are interconnected not only structurally but also functionally. In both systems specialized cells communicate through synapses. There exists a tridirectional communication within the neuroimmune network, including the hormonal system, the immune system, and the nervous system. Bone marrow is a priming site for T cell responses to blood-borne antigens including those from the central nervous system. In cases of auto (self) antigens, the responses lead to immune tolerance while in cases of neo (non-self) antigens, the responses lead to neoantigen-specific T cell activation, immune control, and finally to the generation of neoantigen-specific immunological memory. Bone marrow has an important function in the storage and maintenance of immunological memory. It is a multifunctional and very active cell-generating organ, constantly providing hematopoiesis and osteogenesis in finely-tuned homeostasis. Clinical perspectives include mesenchymal stem cell transplantation for tissue repair within the central nervous system.
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Durability of Lumber Pretreatment Compared to Posttreatment Processes

Published on: 3rd October, 2023

Aim of study: In terms of treatment, it is essential to consider the correct use of preservatives and epoxy resin. Lumber pretreated with these substances can protect the wood from biodegradation or insect attack for exceeding three-year life expectation periods.Methods: To further increase durability and structural integrity, Posttreatment like painting or lamination on wood surfaces helps keep moisture out and carries a higher yield compared to traditional methods. In addition, chemical treatments to make timber resistant to fungal infestations as well has been gaining traction recently which makes it possible for lumber to be used in even more applications safely than ever before. Results: Thus, proper treatment plays a major role when considering the implications of using lumber as a resource both structurally and functionally over time. Conclusion: Lumber remains one of the most sought-after resources due to its versatility; likewise finding ways how impart maximum longevity necessitates research into new treatments available so that we can optimally exploit such abundant supplies without compromising the durable nature of good quality timber source.
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Qualitative Identification of Secondary Metabolites and Determination of the Toxicity of Extracts Obtained from the Flower of Kalanchoe Pinnata

Published on: 17th October, 2023

Kalanchoe pinnata, also known as air leaf or life leaf, is a plant used in traditional medicine in different world regions. In Mexico, it is included in the Atlas de la Medicina Tradicional Mexicana with a wide variety of applications, such as antimicrobial, anti-inflammatory, anticancer, and antihistamine, among others. However, neither a secondary metabolite profile of the flower has been reported nor information on its possible toxicity. The latter is the purpose of this work. A phytochemical profile of extracts with solvents of different polarity (aqueous, methanol, ethanol, and ether) was carried out. In this profile, the structural compounds could be qualitatively determined by chemical reactions, and some changes in coloring or precipitation were observed. The acute toxicity test of the extracts was performed with an aquatic organism, Artemia sp, and a terrestrial organism Eisenia foetida, as well as the evaluation of the antioxidant capacity of the extracts in the organism of Eisenia foetida. The ABTS radical method and TROLOX were applied as synthetic antioxidants for the evaluation of the inhibition percentage. Most important secondary metabolites were qualitatively identified in the extracts of K. pinnata flowers. Mainly in the alcoholic extracts (methanol and ethanol) tannins, alkaloids, and flavonols were found. As mentioned above, they are reported to have toxicological effects. The toxicity and antioxidant activity tests confirm the preliminary results obtained in the identification of secondary metabolites. It is therefore concluded that the flower of Kalanchoe pinnata contains secondary metabolites that may be of great therapeutic interest.
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Rare Case of Dense Deposition Disease with Combined C3 and C4d Deposits with MYH9-related Mutation

Published on: 14th November, 2023

Background: The C3 glomerulopathies are a group of rare forms of glomerulonephritis with an incidence of 1-2 cases per million. It is mainly characterized by dysregulation of the alternative complement pathway. It is further classified morphologically based on electron microscopy ultrastructural findings into Dense Deposition Disease (DDD) and C3 glomerulonephritis. DDD is normally characterised by C3 Deposits. Case: We report a rare case of a young Emirati male who presented with sub nephrotic proteinuria and microscopic haematuria on routine evaluation. Renal biopsy showed features of DDD with combined C3 and C4 deposits. The retinal evaluation showed features of Drusen classically seen in DDD. Genomic study showed heterozygous mutation in c.5842G>C (p.Asp1948His) variant of uncertain significance in MYH9 gene. Discussion: C3 Glomerulopathy is a type of immune mediated disease previously classified as membranoproliferative glomerulonephritis. DDD is mainly characterised by C3 deposits in the glomerular basement Membrane. Our case has both C3 and C4d deposits, which is a rare entity. It shows the activation of both classical and alternate pathways. Conclusion: Dense deposition disease is a rare complement mediated glomerulopathy. It is characterised by C3 deposits. Dense deposition disease with combined C3 and C4d deposits is a new entity. The treatment and prognosis of such cases will be different and unique compared to the normal cases of DDD.
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Exploring the Complexity of Protein Structure Determination Through X-ray Diffraction

Published on: 21st November, 2023

The determination of a protein structure by using X-ray diffraction encompasses a series of sequential steps (including gene identification and cloning, protein expression and purification, crystallization, phasing model building, refinement, and validation), which need the application of several methodologies derived from molecular biology, bioinformatics, and physical sciences. This article thoroughly examines the complicated procedure of elucidating protein structures within plant biology, using X-ray diffraction as the primary methodology. Commencing with the gene identification process and progressing toward crystallography, this article explores the many obstacles and achievements in acquiring diffraction pictures and their subsequent conversion into electron density maps. The ensuing phases of model construction, refinement, and structural validation are thoroughly examined, providing insight into the inherent complexity associated with each stage. The paper also discusses the critical component of understanding the resultant model and scrutinizing its biological significance. By comprehensively examining these stages, this article presents a nuanced comprehension of the intricate procedure in ascertaining protein structures within plant biology. It offers valuable insights into the obstacles encountered and the biological importance of the acquired structural data.
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A Water-soluble Form of Dihydroquercetin Reduces LPS-induced Astrogliosis, Vascular Remodeling, and mRNA VEGF-A Levels in the Substantia Nigra of Aged Rats

Published on: 16th February, 2024

Background: The age-dependent sporadic form of PD is characterized by the degeneration of dopaminergic (DA) neurons in the Substantia Nigra (SN), gliosis, and vascular changes. Vascular changes may contribute to the onset of the disease and exacerbate the neurodegenerative process, as some vascular changes occur before the onset of neuronal loss. To demonstrate the anti-neuroinflammatory efficacy of a new compound, a water-soluble form of dihydroquercetin (DHQ-WF), we studied the structural changes of microcirculatory vasculature, astroglial GFAP, and vascular endothelial growth factor –A (VEGF-A) mRNA expression in the SN of young and old rats after unilateral nigral treatment by lipopolysaccharide (LPS) and oral administration of DHQ-WF.Materials and methods: The experiments were performed on 18 young (8 weeks - 10 weeks old; 250 g - 320 g) and 18 old (18 months - 19 months old; 390 g - 450 g) male Vistar rats. Young and adult rats from the experimental groups were stereotactically injected with 2 μL LPS solution (LPS from Escherichia coli; 0,01 μL/mL) into one side of the SN. Control young and old rats were similarly injected with 2 μL sterile saline. Half of the animals in both the control and experimental groups (6 animals in each group) received a 2 ml solution containing DHQ-WF at a concentration of 3 mg/ml orally every day. After 8 weeks, brains were harvested and serial cryostat sections were prepared for histochemical (FITC-labeled tomato lectin), immunohistochemical (anti-GFAP Antibody, Cy3 Conjugate) staining, and real-time PCR (mRNA VEGF-A).Results: Eight weeks after LPS injection into the SN, a significant excess of areas occupied by cell bodies and processes of astroglial cells, the density of microcirculatory vessels, and mRNA VEGF-A expression was observed in old animals compared to control old animals and young LPS-treated rats.  Oral administration of DHQ-WF to LPS-treated rats resulted in a significant reduction of these parameters in old animals.Conclusion: Injection of LPS into rat SN induces neuroinflammation and vascular angiogenesis, maximally expressed in old animals.  Administration of DHQ-WF for 8 weeks significantly reduces these LPS-induced changes. DHQ-WF may be an effective treatment for reducing the effects of neuroinflammation in the aging brain.
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Comparison of RGB Indices used for Vegetation Studies based on Structured Similarity Index (SSIM)

Published on: 27th February, 2024

Remote sensing methods are receiving more and more attention during vegetation studies, thanks to the rapid development of drones. The use of indices created using different bands of the electromagnetic spectrum is currently a common practice in agriculture e.g. normalized vegetation index (NDVI), for which, in addition to the red (R), green (G) and blue (B) bands, in different infrared (IR) ranges used bands are used. In addition, there are many indices in the literature that can only be calculated from the red, green, blue (RGB) bands and are used for different purposes. The aim of our work was to objectively compare and group the RGB indices found in the literature (37 pcs) using an objective mathematical method (structured similarity index; SSIM), as a result of which we classified the individual RGB indices into groups that give the same result. To do this, we calculated the 37 RGB indexes on a test image, and then compared the resulting images in pairs using the structural similarity index method. As a result, 28 of the 37 indexes examined could be narrowed down to 7 groups - that is, the indexes belonging to the groups are the same - while the remaining 9 indexes showed no similarity with any other index.
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Harmonizing Artificial Intelligence Governance; A Model for Regulating a High-risk Categories and Applications in Clinical Pathology: The Evidence and some Concerns

Published on: 18th March, 2024

The Canadian healthcare system, grappling with issues like systemic and intelligently established structural anti-black racism, including indigenous nations; even within Pathology and Laboratory Medicine Communities: and deteriorating outcomes, sees potential in AI to address challenges, though concerns exist regarding exacerbating discriminatory practices. In clinical pathology, AI demonstrates superior diagnostic accuracy compared to pathologists in a study, emphasizing its potential to improve healthcare. However, AI governance is crucial to navigating ethical, legal, and societal concerns. The Royal College of Physicians of Canada acknowledges the transformative impact of AI in healthcare but stresses the need for responsible AI tools co-developed by diverse teams. Despite positive attitudes towards AI in healthcare, concerns about patient safety, privacy, and autonomy highlight the necessity for comprehensive education, engagement, and collaboration. Legal concerns, including liability and regulation, pose challenges, emphasizing the need for a robust regulatory framework. AI application in healthcare is categorized as high-risk, demanding stringent regulation to ensure safety, efficacy, and fairness. A parallel is drawn to drug regulation processes, suggesting a similar approach for AI. The lack of transparency in AI-based decision-making raises ethical questions, necessitating measures to address biases and ensure patient privacy. Social accountability is crucial to prevent AI from exacerbating health disparities and harming marginalized communities. In conclusion, while AI offers potential benefits in clinical pathology, a cautious approach with comprehensive governance measures is essential to mitigate risks and ensure ethical AI integration into healthcare.
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Non-invasive Serological Markers of Hepatic Fibrosis – Mini Review

Published on: 14th May, 2024

Aim: This study examines the pathological outcomes of chronic liver injuries, with a focus on liver fibrosis. It emphasizes understanding the structural changes within the liver that may lead to cirrhosis and functional impairments, crucial for developing targeted antifibrotic therapies.Methods: Our approach reviews existing literature detailing the use of traditional diagnostic methods—biochemical and serological tests alongside liver biopsies. Additionally, we evaluate the reliability and efficacy of non-invasive techniques such as serological test panels and imaging examinations. These methods are compared to understand their viability as supplementary or alternative diagnostic tools to liver biopsy.Significance: Liver fibrosis, if unmanaged, can progress to severe conditions such as cirrhosis and hepatocellular carcinoma, making it vital to understand its progression and treatment options. This study underscores the need for precise and non-invasive diagnostic tools in the clinical management of liver fibrosis, providing insight into the progression of chronic liver diseases and potential therapeutic targets.Conclusion and future perspectives: The research confirms that while liver biopsy remains the definitive method for staging liver fibrosis, its risks and limitations necessitate the use of enhanced non-invasive diagnostic techniques. These methods have shown promising results in accuracy and are critical for broadening clinical applications and patient safety.It is recommended that the scientific community continue to develop and validate non-invasive diagnostic tools. Enhancing the accuracy and reliability of these tools can provide a cost-effective, accessible, and safer alternative for large-scale screening and management of liver fibrosis in asymptomatic populations. Additionally, integrating advancements in radiologic and serological markers can further refine these diagnostic methods, improving overall patient outcomes.
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Structural Morphology of Organic Waste-derived Fiber in X–band Frequency

Published on: 5th June, 2024

Sawdust is a by-product or waste product of woodworking such as cutting, sanding, machining, planning, and routing. Saw dust consists of small woodcutting intending to study the structural morphology of organic waste fiber derived in an X-band frequency and synthesis of the rice dust and sawdust. The solid-state method was employed to mix the husk, to obtain the fine power, and the Fourier-transform infrared spectroscope was used to determine the sample absorption rate. The FTIR results show that the best samples are 6.5 g and 6.5 g rice bark and sawdust, with an absorbance rate of 86% and 14% transmission, which will be used for the manufacture of electronic and communication devices.
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A Study on Nuclear Physics Fission using the Relativistic Time-dependent Density Functional Theory Approach

Published on: 18th June, 2024

A thorough knowledge of the stationary characteristics of the nuclei of atoms, their stimulation wavelengths, how they react to outside factors, and how they disintegrate is the aim of nuclear structural science. Although achieving these objectives within just one structure is difficult and prevents the existence of a nuclear "standard model," it is evident that radioactive Density Functional Theory (DFT) offers perhaps the broadest variety of applications to date. We attempt to place DFT in a larger perspective in this study by making frequent allusions to electrical DFT. We also provide a brief overview of the numerous uses and an explanation of the connections between beginning techniques and Useful Field Concepts (EFTs) in particular. The article tries to promote collaborations with different scientific fields while being published from a subjective and perhaps biased point of view.
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MRI-based Tumor Habitat Analysis for Treatment Evaluation of Radiotherapy on Esophageal Cancer

Published on: 24th June, 2024

Introduction: We aim to evaluate the performance of pre-treatment MRI-based habitat imaging to segment tumor micro-environment and its potential to identify patients with esophageal cancer who can achieve pathological complete response (pCR) after neoadjuvant chemoradiotherapy (nCRT).Material and methods: A total of 18 patients with locally advanced esophageal cancer (LAEC) were recruited into this retrospective study. All patients underwent MRI before nCRT and surgery using a 3.0 T scanner (Ingenia 3.0 CX, Philips Healthcare). A series of MR sequences including T2-weighted (T2), diffusion-weighted imaging (DWI), and Contrast Enhance-T1 weighted (CE-T1) were performed. A clustering algorithm using a two-stage hierarchical approach groups MRI voxels into separate clusters based on their similarity. The t-test and receiver operating characteristic (ROC) analysis were used to evaluate the predictive effect of pCR on habitat imaging results. Cross-validation of 18 folds is used to test the accuracy of predictions.Results: A total of 9 habitats were identified based on structural and physiologic features. The predictive performance of habitat imaging based on these habitat volume fractions (VFs) was evaluated. Students’ t-tests identified 2 habitats as good classifiers for pCR and non-pCR patients. ROC analysis shows that the best classifier had the highest AUC (0.82) with an average prediction accuracy of 77.78%.Conclusion: We demonstrate that MRI-based tumor habitat imaging has great potential for predicting treatment response in LAEC. Spatialized habitat imaging results can also be used to identify tumor non-responsive sub-regions for the design of focused boost treatment to potentially improve nCRT efficacy.
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Review of AI in Civil Engineering

Published on: 8th July, 2024

This paper reviews the transformative impact of Artificial Intelligence (AI) on civil engineering. It explores AI's fundamental concepts and its applications across structural analysis, construction management, transportation, geotechnical engineering, and sustainability. The review highlights AI's role in automating tasks, predicting outcomes, and optimizing designs throughout project lifecycles. Recent advancements in AI-driven technologies for structural health monitoring, predictive maintenance, and risk assessment are discussed, along with challenges like data quality and model interpretability. Future trends such as autonomous construction and digital twins are examined, emphasizing the need for continued research and interdisciplinary collaboration. In conclusion, this paper offers insights for leveraging AI to address evolving challenges and opportunities in civil engineering, fostering innovation, sustainability, and resilience in infrastructure development.
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Transition to Cellular Nutrition as a Solution to Reduce Threats to Environmental Stability

Published on: 4th July, 2024

Nutrition is the process of supplying the organism with substances that have certain useful characteristics for the organism. It is through the process of nutrition that the organism receives the necessary amount of energy required for normal life activity. The cell is a structural and functional unit of the human body, and it is from a set of similar formations that tissue, organ, and organ systems are formed. Consequently, each cell of the body must receive the necessary supply of nutrients in order to continue its normal functioning. Cellular nutrition is the ability of each cell of the human body to consume nutrient molecules in the amount they need. In this case, the object of the study is just that nutrition, which begins with the nourishment of an individual cell. This article presents the results obtained by analyzing the data regarding the process of making the cell's consumption of the right nutrients while taking into account how the transition to cellular nutrition affects the environment and its constituents.
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Simulation and Analysis of Photonic Bandgapsin 1D Photonic Crystals Using MEEP

Published on: 23rd August, 2024

This study presents a comprehensive simulation and analysis of photonic band gaps in one-dimensional (1D) photonic crystals using the open-source software MEEP. Photonic crystals, with their periodic structures, exhibit photonic bandgaps that prevent the propagation of specific wavelengths of light, making them crucial for various optical applications. Unlike previous studies that primarily focused on theoretical and experimental methods, this research introduces a novel computational approach that enhances the accuracy and flexibility of modeling these bandgaps. Through detailed simulations, we explore the impact of different structural parameters on the photonic bandgap properties, providing valuable insights into optimizing these crystals for practical use. Our findings demonstrate significant improvements in the design and understanding of 1D photonic crystals, particularly in tailoring bandgaps for specific applications in optical devices. This work contributes to the advancement of photonic crystal technology by offering a robust framework for their analysis and application.
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Improving the Concrete Compressive and Flexural Strength with a Low Fraction Addition of Carboxylated Nitro-oxidized Cellulose Nanofibrils from Banana Rachis

Published on: 17th September, 2024

Conventionally, concrete strength depends on the bonding interface, especially in hydrated products such as calcium silicate hydrate (CSH). As a result, concrete is sensitive under tensile load. With its unique properties, a low fraction of carboxylated nitro-oxidized cellulose nanofibrils (NOCNF) from the banana rachis is employed to improve the mechanical performance of the concrete nano structurally. Compressive and flexural strength using the NOCNF content at 0, 0.05, and 0.1 wt. % cured in 7 and 28 days were evaluated. Notably, the compressive strength increased by 16% and flexural strength by 13% at 0.1% NOCNF compared to plain concrete after the 28 curing days. A low NOCNF fraction achieved a good, albeit impossible, performance with the microscale fibers. The nanostructured effect was discussed twofold: an excellent interaction between the NOCNF and the hydrated products and the carboxylic groups on the NOCNF surface enhanced the cement hydration. These data are better than the literature based on the small-diameter cellulose nanofibrils without the carboxyl groups. As a sustainable nanocomponent, NOCNF could be a perfect candidate to improve concrete performance under mechanical load.
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Distinguishing Traditional and Internal Craze Lines in Human Enamel

Published on: 18th September, 2024

Objectives: This study aims to introduce and differentiate between traditional craze lines and a newly identified type of line in enamel, termed an “internal craze line.” This novel classification enhances diagnostic precision and carries significant clinical implications for treatment strategies. The goal is to provide a clear description of these two types of lines, discuss their unique clinical implications, and highlight their differing appearances and staining characteristics, contributing to improved understanding and management of enamel anomalies.Method and materials: Four extracted teeth exhibiting visible and internal craze lines were selected and examined using a stereo microscope to observe the structural characteristics of the lines. Cross-sections of the coronal parts of the teeth were prepared to document the differences between traditional craze lines (extending from the dentin-enamel junction [DEJ] to the enamel surface) and internal craze lines (originating at the DEJ but terminating midway through the enamel). Additionally, intraoral observations were conducted under high magnification to identify the visual differences between the two types of lines, noting that traditional craze lines can be stained while internal craze lines cannot.Results: Microscopic examination revealed two distinct types of lines: traditional craze lines extending from the DEJ to the enamel surface and internal craze lines terminating within the enamel. Intraoral observations confirmed that these lines could be distinguished under high magnification. Traditional craze lines appear as continuous lines reaching the enamel surface and can be stained, whereas internal craze lines are shorter, do not extend to the surface, and cannot be stained.Conclusion: The identification of internal craze lines presents significant clinical implications. Differentiating between traditional and internal craze lines can enhance diagnostic accuracy and inform treatment decisions. Recognizing internal craze lines might indicate different etiologies or risk profiles compared to traditional craze lines, influencing preventive and therapeutic strategies in dental practice. Further research is needed to explore the prevalence, causes, and long-term impacts of internal craze lines.
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