Green and sensitive detection of olopatadine in aqueous humor using a signal-on fluorimetric approach: GREEnness assessment.

Olopatadine (OLP) is widely utilized as an effective antihistaminic drug for alleviating ocular itching associated with allergic conjunctivitis. With its frequent usage in pharmacies, there arises a pressing need for a cost-effective, easily implementable, environmentally sustainable detection method with high sensitivity. This study presents a novel signal-on fluorimetric method for detecting OLP in both its pure form and aqueous humor. The proposed approach depends on enhancing the weak intrinsic fluorescence emission of OLP, achieving a remarkable increase of up to 680% compared to its intrinsic fluorescence. This enhancement is achieved by forming micelles around protonated OLP using an acetate buffer (pH 3.6) and incorporating a solution of sodium dodecyl sulfate (SDS) surfactant. A strong correlation (R = 0.9996) is observed between the concentration of OLP and fluorescence intensities ranging from 1.0 to 100.0 ng mL-1 with a limit of detection of 0.22 ng mL-1. This described method is successfully employed for quantifying OLP in both its powder form and pharmaceutical eye drops. Furthermore, it demonstrates robust performance in determining OLP in artificial aqueous humor with a percentage recovery of 99.05 ± 1.51, with minimal interference from matrix interferents. Moreover, the greenness of the described method was evaluated.

The winged helix domain of MORF binds CpG islands and the TAZ2 domain of p300.

Acetylation of histones by lysine acetyltransferases (KATs) provides a fundamental mechanism by which chromatin structure and transcriptional programs are regulated. Here, we describe a dual binding activity of the first winged helix domain of human MORF KAT (MORFWH1) that recognizes the TAZ2 domain of p300 KAT (p300TAZ2) and CpG rich DNA sequences. Structural and biochemical studies identified distinct DNA and p300TAZ2 binding sites, allowing MORFWH1 to independently engage either ligand. Genomic data show that MORF/MOZWH1 colocalizes with H3K18ac, a product of enzymatic activity of p300, on CpG rich promoters of target genes. Our findings suggest a functional cooperation of MORF and p300 KATs in transcriptional regulation.

Nanoscale Luminescence Imaging/Detection of Single Particles: State-of-the-Art and Future Prospects.

Single-particle-level measurements, during the reaction, avoid averaging effects that are inherent limitations of conventional ensemble strategies. It allows revealing structure-activity relationships beyond averaged properties by considering crucial particle-selective descriptors including structure/morphology dynamics, intrinsic heterogeneity, and dynamic fluctuations in reactivity (kinetics, mechanisms). In recent years, numerous luminescence (optical) techniques such as chemiluminescence (CL), electrochemiluminescence (ECL), and fluorescence (FL) microscopies have been emerging as dominant tools to achieve such measurements, owing to their diversified spectroscopy principles, noninvasive nature, higher sensitivity, and sufficient spatiotemporal resolution. Correspondingly, state-of-the-art methodologies and tools are being used for probing (real-time, operando, in situ) diverse applications of single particles in sensing, medicine, and catalysis. Herein, we provide a concise and comprehensive perspective on luminescence-based detection and imaging of single particles by putting special emphasis on their basic principles, mechanistic pathways, advances, challenges, and key applications. This Perspective focuses on the development of emission intensities and imaging based individual particle detection. Moreover, several key examples in the areas of sensing, motion, catalysis, energy, materials, and emerging trends in related areas are documented. We finally conclude with the opportunities and remaining challenges to stimulate further developments in this field.

Serum MicroRNA-146b Expression for Malignancy Prediction in Euthyroid Patients with Indeterminate Thyroid Nodules.

Thyroid nodules are frequently found, but the vast majority of them are benign. The difficulty in managing thyroid nodules is correctly diagnosing the minority of those who have malignancy. Thyroid fine-needle aspiration cytology (FNAC) with indeterminate cytology continues to raise doubts about the presence of thyroid cancer, leading to an unnecessary thyroidectomy. Circulating miRNAs may be useful as diagnostic and prognostic markers for a variety of cancers, including thyroid cancer. The goal of the present study was to determine the predictive value of serum miRNA-146b expression level for thyroid cancer by estimating its level in a group of euthyroid patients with thyroid nodules with indeterminate FNAC results. This cross-sectional study included 45 euthyroid patients with indeterminate thyroid nodules who visited the Endocrine Outpatient Clinic and Endocrine Surgical Ward at Ain Shams University Hospitals. For all patient thyroid profiles, ultrasound of the thyroid gland and FNAC of the thyroid nodule were performed. In addition, preoperative assessment of serum microRNA-146b expression by real-time PCR was achieved and the results correlated with post-operative thyroid histopathology. There was no difference in serum miRNA-146b expression between patients with benign thyroid nodules versus patients with malignant nodules (p= 0.789). The risk of malignancy increased with the increase in size of the dominant thyroid nodules, as larger nodules had a higher risk of malignancy (p= 0.027). In conclusion, in euthyroid patients with indeterminate thyroid nodules, serum miRNA-146b is a poor predictor of thyroid malignancy, however, the larger the nodule size, the higher the risk of cancer.

Data mining and library generation to search electron-rich and electron-deficient building blocks for the designing of polymers for photoacoustic imaging.

Photoacoustic imaging is a good method for biological imaging, for this purpose, materials with strong near infrared (NIR) absorbance are required. In the present study, machine learning models are used to predict the light absorption behavior of polymers. Molecular descriptors are utilized to train a variety of machine learning models. Building blocks are searched from chemical databases, as well as new building blocks are designed using chemical library enumeration method. The Breaking Retrosynthetically Interesting Chemical Substructures (BRICS) method is employed for the creation of 10,000 novel polymers. These polymers are designed based on the input of searched and selected building blocks. To enhance the process, the optimal machine learning model is utilized to predict the UV/visible absorption maxima of the newly designed polymers. Concurrently, chemical similarity analysis is also performed on the selected polymers, and synthetic accessibility of selected polymers is calculated. In summary, the polymers are all easy to synthesize, increasing their potential for practical applications.

Generation of Chemical Space of Compounds for Prostate Cancer Treatment: Biological Activity Prediction, Clustering, and Visualization of Chemical Space.

Designing molecules for pharmaceutical purposes has been a significant focus for several decades. The pursuit of novel drugs is an arduous and financially demanding undertaking. Nevertheless, the integration of computer-assisted frameworks presents a swift avenue for designing and screening drug-like compounds. Within the context of this research, we introduce a comprehensive approach for the design and screening of compounds tailored to the treatment of prostate cancer. To forecast the biological activity of these compounds, we employed machine learning (ML) models. Additionally, an automated process involving the deconstruction and reconstruction of molecular building blocks leads to the generation of novel compounds. Subsequently, the ML models were utilized to predict the biological activity of the designed compounds, and the t-SNE method was employed to visualize the chemical space covered by the novel compounds. A meticulous selection process identified the most promising compounds, and their potential for synthesis was assessed, offering valuable guidance to experimental chemists in their investigative endeavors. Furthermore, fingerprint and heatmap analysis were conducted to evaluate the chemical similarity among the selected compounds. This multifaceted approach, encompassing predictive modeling, compound generation, visualization, and similarity assessment, underscores our commitment to refining the process of identifying potential candidates for further exploration in prostate cancer treatment.

Ubiquitin-specific protease 11 structure in complex with an engineered substrate mimetic reveals a molecular feature for deubiquitination selectivity.

Ubiquitin-specific proteases (USPs) are crucial for controlling cellular proteostasis and signaling pathways but how deubiquitination is selective remains poorly understood, in particular between paralogues. Here, we developed a fusion tag method by mining the Protein Data Bank and trapped USP11, a key regulator of DNA double-strand break repair, in complex with a novel engineered substrate mimetic. Together, this enabled structure determination of USP11 as a Michaelis-like complex that revealed key S1 and S1' binding site interactions with a substrate. Combined mutational, enzymatic, and binding experiments identified Met77 in linear diubiquitin as a significant residue that leads to substrate discrimination. We identified an aspartate "gatekeeper" residue in the S1' site of USP11 as a contributing feature for discriminating against linear diubiquitin. When mutated to a glycine, the corresponding residue in paralog USP15, USP11 acquired elevated activity toward linear diubiquitin in-gel shift assays, but not controls. The reverse mutation in USP15 confirmed that this position confers paralog-specific differences impacting diubiquitin cleavage rates. The results advance our understanding of the molecular basis for the higher selectivity of USP11 compared to USP15 and may aid targeted inhibitor development. Moreover, the reported carrier-based crystallization strategy may be applicable to other challenging targets.

Unraveling Therapeutic Opportunities and the Diagnostic Potential of microRNAs for Human Lung Cancer.

Lung cancer is a major public health problem and a leading cause of cancer-related deaths worldwide. Despite advances in treatment options, the five-year survival rate for lung cancer patients remains low, emphasizing the urgent need for innovative diagnostic and therapeutic strategies. MicroRNAs (miRNAs) have emerged as potential biomarkers and therapeutic targets for lung cancer due to their crucial roles in regulating cell proliferation, differentiation, and apoptosis. For example, miR-34a and miR-150, once delivered to lung cancer via liposomes or nanoparticles, can inhibit tumor growth by downregulating critical cancer promoting genes. Conversely, miR-21 and miR-155, frequently overexpressed in lung cancer, are associated with increased cell proliferation, invasion, and chemotherapy resistance. In this review, we summarize the current knowledge of the roles of miRNAs in lung carcinogenesis, especially those induced by exposure to environmental pollutants, namely, arsenic and benzopyrene, which account for up to 1/10 of lung cancer cases. We then discuss the recent advances in miRNA-based cancer therapeutics and diagnostics. Such information will provide new insights into lung cancer pathogenesis and innovative diagnostic and therapeutic modalities based on miRNAs.

Zirconium-Directed Supramolecular Self-Assembly of Coenzyme A@GNCs with Enhanced Phosphorescence for Developing Ultrasensitive Tracer Probe of Dipicolinic Acid, a Biomarker of Bacterial Spores.

Luminescent gold nanoclusters (GNCs) are a class of attractive quantum-sized nanomaterials bridging the gap between organogold complexes and gold nanocrystals. They typically have a core-shell structure consisting of a Au(I)-organoligand shell-encapsulated few-atom Au(0) core. Their luminescent properties are greatly affected by their Au(I)-organoligand shell, which also supports the aggregation-induced emission (AIE) effect. However, so far, the luminescent Au nanoclusters encapsulated with the organoligands containing phosphoryl moiety have rarely been reported, not to mention their AIE. In this study, coenzyme A (CoA), an adenosine diphosphate (ADP) analogue that is composed of a bulky 5-phosphoribonucleotide adenosine moiety connected to a long branch of vitamin B5 (pantetheine) via a diphosphate ester linkage and ubiquitous in all living organisms, has been used to synthesize phosphorescent GNCs for the first time. Interestingly, the synthesized phosphorescent CoA@GNCs could be further induced to generate AIE via the PO32- and Zr4+ interactions, and the observed AIE was found to be highly specific to Zr4+ ions. In addition, the enhanced phosphorescent emission could be quickly turned down by dipicolinic acid (DPA), a universal and specific component and also a biomarker of bacterial spores. Therefore, a Zr4+-CoA@GNCs-based DPA biosensor for quick, facile, and highly sensitive detection of possible spore contamination has been developed, showing a linear concentration range from 0.5 to 20 µM with a limit of detection of 10 nM. This study has demonstrated a promising future for various organic molecules containing phosphoryl moiety for the preparation of AIE-active metal nanoclusters.

Regenerable sensor based on tris(4,7'-diphenyl-1,10-phenanthroline)ruthenium (II) for anodic and cathodic electrochemiluminescence applications.

Tris(4,7'-diphenyl-1,10-phenanthroline) ruthenium (II) dichloride [Ru(dpp)32+] was used for the first time to construct a regenerable electrochemiluminescence (ECL) sensor. The Ru(dpp)32+-modified carbon paste electrode (CPE) showed several unique features in comparison with commonly studied Ru(bpy)32+-modified electrodes. On the one hand, a quite reversible reduction peak was observed at -0.96 V where no obvious hydrogen evolution occured, enabling the sensitive detection of S2O82-. Moreover, our proposed S2O82- sensor showed a good linear range from 3 × 10-9 to 3 × 10-4 M with a detection limit of 2 nM, indicating higher sensitivity for the same analyte than previously reported ECL methods by about two orders of magnitude. On the other hand, the Ru(dpp)32+-modified electrode showed an irreversible oxidation peak because electrogenerated Ru(dpp)33+ is very reactive in aqueous solutions, while Ru(bpy)32+-modified electrode showed a reversible oxidation peak. Moreover, the present sensor showed a good linear range from 10-7 M to 10-3 M for oxalate with a detection limit of 60 nM. It detected oxalate in urine samples with nice recoveries. The regenerable ECL sensor presented good characteristics, such as low cost, simple fabrication procedure and fast response time. The Ru(dpp)32+ based regenerable sensor is an attractive alternative to Ru(bpy)32+-based regenerable sensor, as it can be used for both anodic and cathodic ECL analysis with high sensitivity in aqueous media.

Correction: In situ synthesis of chiral AuNCs with aggregation-induced emission using glutathione and ceria precursor nanosheets for glutathione biosensing.

Correction for 'In situ synthesis of chiral AuNCs with aggregation-induced emission using glutathione and ceria precursor nanosheets for glutathione biosensing' by Mohamed Ibrahim Halawa et al., Analyst, 2022, https://doi.org/10.1039/d2an00939k.

Serum IgG4 level for malignancy prediction in indeterminate thyroid nodules among patients with or without autoimmune thyroid disease.

The incidence of thyroid nodules (TNs) has increased nowadays, and it is critical to properly differentiate between malignant and benign nodules to prevent unneeded thyroidectomy as well as complications related to surgery. IgG4 significantly contributes to various cancer-associated processes. The present study aimed to assess the value of serum IgG4 level in predicting malignancies in indeterminate thyroid nodules (ITN) among patients with and without autoimmune thyroid disease (AITD). A total of 67 patients with indeterminate cytology thyroid nodules (Bethesda III and IV, according to Bethesda system for reporting thyroid cytopathology) were selected. Preoperative serum thyroid profile, IgG4, anti-thyroglobulin (TG) and anti-thyroid peroxidase (TPO) antibody levels were determined. After total thyroidectomy, patients were categorized based on the postoperative histopathology outcome into two groups. Group (I): confirmed benign nodules (n=55) and Group (II): confirmed malignant TNs (n=12). IgG4 levels were significantly elevated among malignant TNs patients than in benign TNs patients, with a median (IQR) of 194.5 mg/dl (183 - 214) vs. 91 mg/dl (60 - 113), respectively (P=0.001). The cut-off value for differentiation between malignant and benign TNs was >180 mg/dl with a sensitivity of 75% and specificity of 100%. There was a significant positive correlation between thyroid antibodies and IgG4 levels (P=0.001). AITD patients had significantly higher level of IgG4 compared with those without AITD 189 mg/dl (153 - 208) vs 89 mg/dl (58 - 112), respectively (P =0.001). Eighty percent (12/15) of patients with AITD had malignant TNs with IgG4 >180 mg/dl, while 20% (3/15) of patients with benign TNs showed IgG4 levels < 180 mg/dl. In conclusion, IgG4 level can be proposed as a predictor of malignant TNs.

In situ synthesis of chiral AuNCs with aggregation-induced emission using glutathione and ceria precursor nanosheets for glutathione biosensing.

In the present study, a mediator release test (MRT) strategy has been designed for the photoluminescent sensing of glutathione (GSH). On the basis of the redox reaction of GSH and cerium-based nanosheets (Ce(CO3)2 NSs), Ce3+ ions were released to act as a mediator for the photoluminescence emission of the Au-thiolate complexes through an aggregation-induced emission (AIE) process. Remarkably, AIE was also accompanied by high chirality for the in situ synthesis of AuNCs using Ce(CO3)2 NSs as a template and GSH as a releaser for oligomeric Au-thiolate complexes. Multiple characterization techniques, including high-resolution transmission electron microscopy (HRTEM), atomic force microscopy (AFM), selected-area electron diffraction (SAED), X-ray powder diffraction (XRD), and X-ray photoelectron spectroscopy (XPS), were employed to check the structure and morphology of the Ce(CO3)2 NSs as well as the successful in situ fabrication of the AuNCs. Using this new MRT strategy, an eco-friendly, selective, biocompatible and label-free AIE probe was established for the sensitive sensing of GSH with a limit of detection (LOD) of 1.02 µM. Moreover, this switch-on luminescent nanoplatform of the conjugate probe of Au-thiolate/Ce-based NSs was successfully applied for the selective and reliable GSH detection in human serum samples.

An ultrasensitive chemiluminescent biosensor for tracing glutathione in human serum using BSA@AuNCs as a peroxidase-mimetic nanozyme on a luminol/artesunate system.

In this work, a nanosensor chemiluminescent (CL) probe for sensing glutathione (GSH) was developed, for the first time, based on its inhibition of the intrinsic peroxidase-mimetic effect of BSA@AuNCs. The endoperoxide linkage of artesunate could be hydrolyzed by BSA@AuNCs resulting in the release of reactive oxygen species (ROS), and the consequent generation of strong CL emission. By virtue of the strong covalent interactions of -S⋯Au-, GSH could greatly suppress the peroxidase-mimetic effect of BSA@AuNCs, leading to a drastic CL quenching. The CL quenching efficiency increased proportionally to the logarithm of GSH concentration through the linearity range of 50.0-5000.0 nM with a limit of detection of 5.2 nM. This CL-based strategy for GSH tracing demonstrated the advantages of ultrasensitivity, high selectivity and simplicity. This strategy was successfully utilized to measure GSH levels in human serum with reasonable recovery results of 98.71%, 103.18%, and 101.68%, suggesting that this turn-off CL sensor is a promising candidate for GSH in biological and clinical samples.

Detection of ascorbic acid based on its quenching effect on luminol-artemisinin chemiluminescence.

We find that luminol can react with artemisinin (ART) to produce chemiluminescence (CL) in the absence of a catalyst and ascorbic acid (AA) can quench luminol-ART CL. Based on its efficient inhibition effect on luminol-ART CL, a new AA detection method is established. The calibration curve for the determination of AA is in the linear range of 5 × 10-7 M to 1 × 10-4 M with a detection limit of 50 nM, which is more sensitive than many other reported methods. This CL approach was utilized to detect AA in vitamin C tablets by applying the standard addition method, and the recoveries of 104.0%, 96.8% and 103.4% were obtained, respectively, at concentrations of 1 µM, 5 µM and 10 µM with a RSD value of less than 3.6%. This developed method for AA assay is distinguished by its fastness, reproducibility, easy operation and good selectivity.

The impact of vitamin D supplementation on peripheral neuropathy in a sample of Egyptian prediabetic individuals.

Background: Vitamin D deficiency is seen more frequently in diabetic patients with distal symmetrical polyneuropathy. Unfortunately, there is a shortage of data concerning prediabetic individuals with peripheral neuropathy (PN). Therefore, we aimed to study the association of vitamin D deficiency with PN severity and to determine the effect of vitamin D supplementation on PN in prediabetics. Methods: A case-control study was conducted consisting of 89 prediabetic individuals with PN and a control group of prediabetics without PN, recruited from the outpatient department of the National Institute of Diabetes and Endocrinology, Cairo, Egypt. All patients were screened for PN using clinical examination and Douleur Neuropathique 4 diagnostic questionnaire (DN4). Group A (with PN) was assessed for neuropathic severity using the Short-Form McGill Pain Questionnaire (SF-MPQ). In addition, 25-hydroxyvitamin D, ionized calcium, phosphorus, parathyroid hormone (PTH), glycated hemoglobin (HbA1c), fasting blood glucose (FBG), 2-hour post 75g glucose (2h-PPBG) and lipid profile were measured for both groups. Prediabetic patients with PN were given vitamin D3 200.000 IU IM monthly for three months. After three months, clinical assessment, DN4, SF-MPQ and all laboratory measures were repeated. Results: Vitamin D was not associated with the severity of PN patients. However, supplementation of vitamin D resulted in a highly significant improvement in glycemic parameters , p≤0.001. Interestingly, neuropathy score and severity before vitamin D supplementation were (6.4±1.6 and 28.3±7.2) and after became (2.5±0.9 and 17±6.3, p≤0.001). Conclusion: Correction of vitamin D deficiency in prediabetics with PN as well as hypovitaminosis D, improves glycemic parameters, PN score and severity.

Structural assessment of SARS-CoV2 accessory protein ORF7a predicts LFA-1 and Mac-1 binding potential.

ORF7a is an accessory protein common to SARS-CoV1 and the recently discovered SARS-CoV2, which is causing the COVID-19 pandemic. The ORF7a protein has a structural homology with ICAM-1 which binds to the T lymphocyte integrin receptor LFA-1. As COVID-19 has a strong immune component as part of the disease, we sought to determine whether SARS-CoV2 would have a similar structural interaction with LFA-1. Using molecular docking simulations, we found that SARS-CoV2 ORF7a has the key structural determinants required to bind LFA-1 but also the related leukocyte integrin Mac-1, which is also known to be expressed by macrophages. Our study shows that SARS-CoV2 ORF7a protein has a conserved Ig immunoglobulin-like fold containing an integrin binding site that provides a mechanistic hypothesis for SARS-CoV2's interaction with the human immune system. This suggests that experimental investigation of ORF7a-mediated effects on immune cells such as T lymphocytes and macrophages (leukocytes) could help understand the disease further and develop effective treatments.

Development of luminol-based chemiluminescence approach for ultrasensitive sensing of Hg(II) using povidone-I2 protected gold nanoparticles as an efficient coreactant.

In this work, we fabricated gold nanoparticles (AuNPs) capped with both polyvinyl pyrrolidone (PVP) and iodine (I2) to act as efficient chemiluminescent coreactants for luminol. AuNPs synthesis was based on the direct chemical reduction of Au3+ with NaBH4 in the presence of PVP-I2 complex. The successful synthesis of PVP-I2@AuNPs was confirmed with scanning electron microscopy (SEM) and UV-vis spectrophotometry. Chemiluminescence (CL) intensity of luminol was greatly enhanced, upon its chemical reaction with chemisorbed I2 on AuNPs surfaces owing to the excellent catalytic activity of AuNPs. The PVP-I2@AuNPs/luminol CL sensing system was successfully applied for determination of Hg2+ ions and the results displayed linearity in a wide range from 0.5 to 2000 nM and an ultrasensitive response to 1.0 nM Hg2+. The detection limit of Hg2+ ions was 0.1 nM, which was 100 times lower than the limit value (10 nM) defined by the U.S. Environmental Protection Agency in drinkable water. This ultrasensitive luminogenic system for Hg2+ detection also exhibited excellent selectivity among 13 types of metals, suggesting that the luminol/PVP-I2@AuNPs system is a promising sensor for real-time detection of Hg2+. Graphical abstract.

Value of Sodium-Glucose Co-Transporter 2 Inhibitor Versus Traditional Medication in Microalbuminuric Diabetic Patients.

BACKGROUND: Sodium glucose co-transporter 2 inhibitor (SGLT2i) is a new arment in the prevention and treatment of diabetic kidney disease with a potential effect on reducing and preventing Chronic Kidney Disease (CKD) progression. OBJECTIVE: To evaluate the effect of SGLT2 inhibitor in comparison to traditional medication in diabetic patients with microalbuminuria. METHODS: A total of 60 diabetic patients with microalbuminuria were divided into group I, where 30 patients were treated by traditional medications (RAAS blockers) and group II where 30 patients were treated by Dapagliflozin added to the traditional medications. All patients were followed up for 6 months and their Urine Albumin/Creatinine Ratio (UACR) and eGFR changes were monitered. RESULTS: UACR significantly declined after 6 months of treatment in group II with a p-value <0.001. There were no significant eGFR changes between both groups. Systolic blood pressure decreases in both groups, but the decrease was highly significant in group II (pvalue<0.001). Diastolic blood pressure decreases significantly in both groups (p-value<0.001). Also, bodyweight reduced significantly in group II with a p-value<0.001. CONCLUSION: Dapagliflozin, when added to traditional medications (RAAS Blockers), leads to a significant reduction in microalbuminuria with no significant eGFR changes.

Unsupervised KPIs-Based Clustering of Jobs in HPC Data Centers.

Performance analysis is an essential task in high-performance computing (HPC) systems, and it is applied for different purposes, such as anomaly detection, optimal resource allocation, and budget planning. HPC monitoring tasks generate a huge number of key performance indicators (KPIs) to supervise the status of the jobs running in these systems. KPIs give data about CPU usage, memory usage, network (interface) traffic, or other sensors that monitor the hardware. Analyzing this data, it is possible to obtain insightful information about running jobs, such as their characteristics, performance, and failures. The main contribution in this paper was to identify which metric/s (KPIs) is/are the most appropriate to identify/classify different types of jobs according to their behavior in the HPC system. With this aim, we had applied different clustering techniques (partition and hierarchical clustering algorithms) using a real dataset from the Galician computation center (CESGA). We concluded that (i) those metrics (KPIs) related to the network (interface) traffic monitoring provided the best cohesion and separation to cluster HPC jobs, and (ii) hierarchical clustering algorithms were the most suitable for this task. Our approach was validated using a different real dataset from the same HPC center.