Fragment Mass Research Articles

Study on Construction Optimization Method of Tunnel Crossing Fault Fracture Zone

When a highway tunnel intersects a fault fracture zone, the excavation process disrupts the surrounding weak and fragmented rock mass, compromising the stability of the fault zone. This study compares the deformation and stress distribution of the surrounding rock using the reserved core soil method, central diaphragm (CD) method, and cross diaphragm (CRD) method during tunnel excavation through fault fracture zones. Among these, the CRD method is identified as the safest construction technique. Additionally, to address the significant deformation of the surrounding rock when tunneling through fault zones, the impact of various pre-support and advance reinforcement techniques on rock mass deformation is analyzed. By comparing the full-ring grouting method with the optimized reinforcement zone approach, the findings demonstrate that optimized grouting significantly reduces disturbance to the fault fracture zone during excavation, thereby enhancing the overall stability of the surrounding rock mass.

BiomiX, a user-friendly bioinformatic tool for democratized analysis and integration of multiomics data

BackgroundInterpreting biological system changes requires interpreting vast amounts of multi-omics data. While user-friendly tools exist for single-omics analysis, integrating multiple omics still requires bioinformatics expertise, limiting accessibility for the broader scientific community.ResultsBiomiX tackles the bottleneck in high-throughput omics data analysis, enabling efficient and integrated analysis of multiomics data obtained from two cohorts. BiomiX incorporates diverse omics data, using DESeq2/Limma packages for transcriptomics, and quantifying metabolomics peak differences, evaluated via the Wilcoxon test with the False Discovery Rate correction. The metabolomics annotation for Liquid Chromatography-Mass Spectrometry untargeted metabolomics is additionally supported using the mass-to-charge ratio in the CEU Mass Mediator database and fragmentation spectra in the TidyMass package. Methylomics analysis is performed using the ChAMP R package. Finally, Multi-Omics Factor Analysis (MOFA) integration identifies shared sources of variation across omics data. BiomiX also generates statistics, report figures and integrates EnrichR and GSEA for biological process exploration and subgroup analysis based on user-defined gene panels enhancing condition subtyping. BiomiX fine-tunes MOFA models, to optimize factors number selection, distinguishing between cohorts and providing tools to interpret discriminative MOFA factors. The interpretation relies on innovative bibliography research on Pubmed, which provides the articles most related to the discriminant factor contributors. Furthermore, discriminant MOFA factors are correlated with clinical data, and the top contributing pathways are explored, all with the aim of guiding the user in factor interpretation.ConclusionsThe analysis of single-omics and multi-omics integration in a standalone tool, along with MOFA implementation and its interpretability via literature, represents significant progress in the multi-omics field in line with the “Findable, Accessible, Interoperable, and Reusable” data principles. BiomiX offers a wide range of parameters and interactive data visualization, allowing for personalized analysis tailored to user needs. This R-based, user-friendly tool is compatible with multiple operating systems and aims to make multi-omics analysis accessible to non-experts in bioinformatics.

Characterization of Anthocyanins Including Acetylated Glycosides from Highbush Blueberry (Vaccinium corymbosum L.) Cultivated in Korea Based on UPLC-DAD-QToF/MS and UPLC-Qtrap-MS/MS

In this study, anthocyanin glycosides from nine cultivars of highbush blueberries grown in Korea were characterized using UPLC-DAD-QToF/MS and UPLC-Qtrap-MS/MS. A total of twenty-two derivatives were identified, consisting of mono-glycosides and acetyl-glycosides attached to aglycones, such as cyanidin, peonidin, delphinidin, petunidin, and malvidin. Among them, seven acetylated glycosides were tentatively determined by comparing the related authentic standards and previous reports and presented mass fragmentation, in which the acetyl group remained as the form attached to the sugar without de-esterification in positive ionization mode. The mid-season cultivar ‘New Hanover’ showed the highest total anthocyanin content (1011.7 mg/100 g dry weight) with predominant malvidin and delphinidin glycosides. Particularly, the ‘Patriot’ (early season) recorded the highest proportion of acetylated glycosides (19.7%). Multivariate analysis showed a distinct separation between early and mid-seasons with Draper. Especially, delphinidin 3-O-galactoside (VIP = 1.94) was identified as a marker for mid-season, and malvidin 3-O-glucoside (VIP = 1.79) was identified as a marker for early season. These comprehensive anthocyanin profiles of Korean blueberries will serve as fundamental data for breeding superior cultivars, evaluating and developing related products as well as clinical and metabolomic research.

Design, Synthesis, Antiproliferative Screening, and In Silico Studies of Some Pyridinyl‐Pyrimidine Candidates

ABSTRACTUsing pyrimidinethione, a new series of pyridinyl‐pyrimidine candidates was prepared by reacting with diverse carbon‐centered electrophiles like hydrazonoyl chloride, N‐arylchloroacetamide, ethyl chloroacetate, and enaminone derivatives. Some heteroannulated compounds, such as triazolopyrimidine and thiazolopyrimidine derivatives were obtained. The mass fragmentation pathways were investigated by the electron impact mass spectrometry (EI‐MS), and the molecular ion peaks (M+.) were recorded at different intensities. The in vitro antiproliferative efficacy of the prepared compounds against MCF7 and HCT116 cancer cell lines showed the highest potency of pyrimidinethione 2, triazolopyrimidine 4, and thiazolopyrimidine 10. Also, in silico studies were performed to recognize these findings. A molecular docking simulation towards the EGFR enzyme showed the best docking score of thiazolopyrimidine 10 through H‐bonding and hydrophobic interactions in comparison to the interactions of co‐crystallized ligand and doxorubicin. With DFT calculations, compound 10 exhibited the lowest energy gap and the highest softness. Among ADME simulation, compounds 7, 8, 9, and 11 exhibited desirable lead‐likeness. It is hoped that this work may affect advancing new effective antiproliferative agents.

DECOMPOSITION MECHANISM OF ALKYLIDENE BRIDGED TETRAZOLES WITH DIFFERENT CARBON CHAIN LENGTHS.

Nitrogen-rich heterocycles, particularly tetrazole-based high-energy density materials (HEDMs) offer high performance, low sensitivity, and are eco-friendly. Despite the diversity of nitrogen-rich energetic heterocycles, many are sensitive to external stimuli, and the introduction of a methylene, ethylene, or C-C linkage between nitrogen-rich heterocycles is a successful strategy to improve mechanical sensitivity and thermal stability. Understanding the potential anomalous thermal or kinetic behavior of such molecules is crucial for the design of new HEDMs and practical applications of these molecules. We have investigated the influence of introducing an alkylidene bridge between the energetic nitrogen heterocycles on the decomposition mechanism and pathway of different bridged tetrazoles, namely 5,5'-Bis-1H-tetrazole, 1,2-Bis(5-tetrazolo)methane, and 1,2-Bis(5-tetrazolo)ethane, using thermal experiments, mass spectrometry, and computational analysis. Kinetic parameters were evaluated using a non-linear integral method, and decomposition pathways were proposed based on mass fragmentation data. Stability comparisons were made using HOMO-LUMO gap and electrostatic potential (ESP) values from computational calculations.

Correlated measurement of neutron multiplicity, fission fragment mass, and total kinetic energy distributions: Reaction dynamics of different fission modes

Correlated measurement of neutron multiplicity, fission fragment mass, and total kinetic energy distributions: Reaction dynamics of different fission modes

Optimizing the Appropriate Mode of the Pulse-modulated Holmium Laser in a Pop-dusting Benchtop Model.

To investigate the effectiveness of different holmium:yttrium-aluminum-garnet (Ho:YAG) laser modes for lithotripsy in the "dusting era" and identify the optimal laser mode for producing stone fragments measuring ≤0.5mm. We used plaster of Paris-made artificial stones crushed into 2-3 mm pieces, weighing 1g in total. The primary endpoint was the mass of stone fragments ≤0.5mm produced by different laser modes. The secondary endpoints were size categories, fragment mass, and changes in irrigation fluid temperature. The Lumenis Pulse 120H Ho:YAG laser, with a 200-μm fiber, was used in 3 modes (Moses contact [MC], Moses distance [MD], and long pulse [LP], all at 0.5J×80Hz). Laser lithotripsy involved a 20-second exposure with a 10-second pause for 15 cycles, conducted 7 times per mode while measuring the maximum irrigation fluid temperatures for each cycle. The MC mode demonstrated superior performance in producing fragments ≤0.5mm (P =.0034) compared with the MD mode. No notable differences were observed for other size categories. The MD and LP modes showed higher rates of mass loss in fluid (MD, P =.023; LP, P =.046) compared with the MC mode. In addition, the increase in irrigation fluid temperature was more pronounced in the MD and LP modes than in the MC mode (MD, P =.015; LP, P =.010). In renal stone lithotripsy during the "dusting era," the MC mode is preferable for generating smaller stone fragments ≤0.5mm. These insights are valuable for optimizing stone fragmentation techniques.

Novel damage criterion in database form based on component-level vulnerability assessment

Abstract Target vulnerability assessments commonly involve large and complex components such as engines exhibiting a lack of systematic and comprehensive representation of damage criteria. This study presents a novel approach to characterizing the damage criteria of large and complex components when impacted by fragments in the form of a database. The damage criteria are formulated based on component-level vulnerability assessments and presented in tabular format, providing information on the component damage probability under the impact of fragments with different velocities, masses, and directions, as well as the residual velocity and mass data for fragments passing through the component. A servo is chosen as a representative component to establish damage criteria in the form of a database. Steel fragments, with masses ranging from 4 g to 7 g and velocities from 100 m/s to 1800 m/s, are employed to impact the servo component from 26 different directions. A total of 1144 sets of vulnerability data for the component are collected, including the damage probability of the servo and the residual mass and velocity of fragments. These data serve as comprehensive damage criteria for the servo component. A comparison between these component damage criteria in a database form with those derived using an equivalent target method shows that the former approach offers greater accuracy and adequacy in representing the damage characteristics exhibited by large and complex components than the latter. the proposed method in this study to represent damage criteria for large complex components in the form of a vulnerability database has broad application prospects and provides new ideas for future research on damage criteria for components.

The mass distribution of behind-armor debris generated during the normal penetration of an explosively formed projectile on rolled homogeneous armor steel

Abstract To obtain the mass distribution law of behind-armor debris(BAD) produced by EFP vertically penetrating armored steel, the numerical simulation calculation of EFP vertically penetrating targets with different thicknesses (30mm ∼ 70mm) at different impact velocities (1600m/s ∼ 2000m/s) was carried out by using the numerical simulation method verified by experiments. Several classical natural fragment mass distribution models are used to study the mass distribution of the BAD generated by EFP and the target plate. The results show that the classical Mott formula is not suitable for describing the mass-quantity distribution of the BAD generated by warhead penetration, while the two-parameter Weibull distribution is a good fit for the mass distribution of the BAD, but both of them depend on the total number of fragments, and it is impossible to ensure that small debris is completely collected in the test. Therefore, it is often impossible to determine the total number of debris. In contrast, the Held distribution does not depend on the total number of debris, and the correlation coefficient of fitting results for the mass distribution of BAD is closest to 1, indicating that the Held distribution is the most suitable for describing the mass distribution of BAD. According to the variation of the characteristic parameter of Held distribution with the thickness of the target plate and EFP impact velocity, the mathematical expression between the characteristic parameter of Held formula and the dimensionless initial condition is established. Based on the Held distribution, a prediction model of the mass distribution of the BAD is established, which takes into account the impact velocity of EFP and the thickness of the target plate. The model estimation is in good agreement with the simulation results, which proves the accuracy of the established model.

Development and Application of a Rope Core Hydraulic Closed-Core Mechanism for Loose and Broken Strata

When employing the wire-line core drilling technology in loose strata, the core recovery rate is often low due to fragmented rock masses and the erosive effect of flushing fluids, severely affecting core quality and drilling efficiency. To address this, the paper designs a hydraulic closed-core cutting mechanism and water-sealed protective core bit compatible with traditional S75 wire-line core drilling tools. Comprehensive analysis and optimization of the design mechanism’s force, flow field patterns, and operational mechanisms have been conducted through numerical simulations, laboratory tests, and field applications. Studies indicate (1) the hydraulic cutting mechanism can smoothly close under flushing fluid action, with stress and strain within safe limits and the sealing area of the core barrel exceeding 75%; (2) post-optimization, the vortex flow within the flushing fluid flow control valve is significantly reduced, with the flow rate at the core after passing through the water-sealed protective core bit being less than 0.6 m/s, effectively protecting the core from being eroded by flushing fluids; (3) the hydraulic cutting mechanism has proven feasible through laboratory testing, with a recommended standard core claw with a 95% protective rate. In actual loose strata, the average core recovery rate reached 97.83%, an 88.13% increase compared to traditional drilling tools, demonstrating high engineering promotion value.

Application of UHPLC-ESI-MS/MS to Identify Free Radicals via Spin Trapping with BMPO.

Free radicals play an important role in many chemical and biological processes, but due to their highly reactive and short-lived nature, they evade most analytical techniques, limiting our understanding of their formation and reactivity. Spin trapping molecules can react with free radicals to form radical adducts with lifetimes long enough for analysis. Mass spectrometry is an attractive way to identify radical adducts, but due to their radical nature, they form untraditional oxidized [M]+ and reduced [M+2H]+ ions, which complicates the interpretation of mass spectrometry analysis. This work uses simplified mixtures of radicals generated in both water and dimethyl sulfoxide (DMSO) with spin trap 5-tert-butoxycarbonyl-5-methyl-1-pyrroline-N-oxide (BMPO), to elucidate the behavior of nitroxide spin traps in electrospray ionization (ESI) mass spectrometry (MS) interfaced with liquid chromatography (LC). This study proposes a disproportionation mechanism to explain the formation of the oxidized and reduced BMPO adducts detected by LC-ESI-MS and explores the formation of "di-adducts" through radical recombination. We finally present a framework for differentiating between the different types of ions using collision induced fragmentation mass spectra (MS/MS). This work offers a comprehensive investigation into the behavior of radical adducts in ESI-MS to streamline the identification of organic radicals and advance understanding of radical chemistry.

Quantitative proteomic analysis of residual host cell protein retention across adeno-associated virus affinity chromatography

To better understand host cell protein (HCP) retention in adeno-associated virus (AAV) downstream processes, sequential window acquisition of all theoretical fragment ion mass spectra (SWATH-MS) was used to quantitatively profile residual HCPs for four AAV serotypes (AAV2, -5, -8, and -9) produced with HEK293 cells and purified using POROS CaptureSelect AAVX affinity chromatography. A broad range of residual HCPs were detected in affinity eluates after purification (N total = 2,746), and HCP profiles showed universally present species (N universal = 1,117) and species unique to one or more AAV serotype. SWATH-MS revealed that HCP persistence was dominated by high-abundance conserved species (HACS), which appeared across all serotype conditions studied. Due to the notable contribution of these species to overall residual HCP levels, physical and functional characteristics of HACS were examined to determine trends that coincide with persistence. Subnetwork interaction mapping and Gene Ontology function enrichment analysis revealed extensive physical interactions between these proteins and significant enrichment for biological processes, molecular functions, and reactome pathways related to protein folding, nucleic acid binding, and cellular stress. The abundant and conserved nature of these HCPs and their functions offers a new perspective for mechanistic evaluations of impurity retention for AAV downstream processes.

Enhanced Payload Localization in Antibody-Drug Conjugates Using a Middle-Down Mass Spectrometry Approach with Proton Transfer Charge Reduction.

Antibody-drug conjugates (ADCs) represent a novel class of immunoconjugates with growing therapeutic relevance, since they combine the efficacy of cytotoxic drugs with the specificity of antibodies. However, by design, ADCs introduce structural features into the monoclonal antibody scaffold that complicate their analysis. Payload attachment to cysteine or lysine residues can often result in product heterogeneity, regarding both the number of attached drug molecules and their conjugation site, necessitating the use of state-of-the-art MS instrumentation to elucidate their complexity. In middle-down mass spectrometry (MD MS), the gas-phase sequencing of ∼25 kDa ADC subunits with different ion activation techniques generally produces rich fragmentation mass spectra; however, spectral congestion can cause some fragment ions to go undetected, including those that can pinpoint the exact location of payload conjugation sites. Proton transfer charge reduction (PTCR) can substantially simplify fragment ion spectra, thereby unveiling the presence of product ions whose signals were previously suppressed. Herein, we present an MD MS strategy relying on the use of PTCR to investigate a cysteine-based ADC mimic with a variable drug-to-antibody ratio, targeting the unambiguous localization of payload conjugation sites. Unlike traditional tandem MS experiments (MS2), which could not provide a complete map of conjugation sites, a single PTCR-based experiment (MS3) proved to be sufficient to achieve this goal across all variably modified ADC subunits, including isomeric ones. Combining the results obtained from orthogonal ion activation techniques followed by PTCR further strengthened the confidence in the assignments.

Construction of a deterministic mathematical model for the spatial-mass distribution of random fragments produced by cased charge explosion

To evaluate the destructive effects of fragment impacts on structures or personnel, it is crucial to assess the velocity, mass, size, and impact location of the fragments, as well as establish the correlation between these factors. This paper presents the experimental measurement of fragment velocities produced by the explosion of a cased charge, the fragments resulting from the explosion are collected and steel plates are used to record the impact locations and sizes of the fragments. Based on the experimental results, the calculation models of fragment velocity, fragment mass distribution and fragment scattering angle are corrected, the spatial distribution models of fragment size and number are established, and the functional relationship between fragment mass and size is constructed. Given the aforementioned research findings, the fragment spatial-mass distribution models based on the size distribution function and based on the mass distribution function are constructed, and the fragment space-mass distributions corresponding to the number of impact regions of 1, 5 and 10 are analyzed, and the effect of the number of impact location divisions on the fragment space-mass distribution is explored. The research results show that, for the current test charge, the fragment spatial-mass distribution model based on the size distribution function aligns most accurately with experimental results when the impact regions is divided into 10. The number of impact locations designated within each region is directly proportional to the number of fragments in that specific region. Notably, the impact location of the largest fragment occurs at 0.8 times the length of the impact region, whereas the peak fragment impact density occurs at 0.743 times the length of the impact region. The spatial-mass distribution model proposed in this paper successfully correlates the velocity, mass, size and impact location of the fragments, providing a realistic theoretical representation of the spatial geometric distribution of the fragments.

Effects of bedding angles on rockburst proneness of layered anisotropic phyllites

To examine the effect of bedding angle upon burst proneness in terms of energy, phyllites with seven various bedding angles are selected for conventional uniaxial compression and single-cyclic loading–unloading uniaxial compression tests. The ejection and failure during compression process of phyllites are monitored in real-time by high-speed camera system. The results demonstrate that the phyllites with different bedding angles all consistently follow the linear energy storage and dissipation (LESD) law during compression. The ultimate energy storage of phyllites with varying bedding angles can be calculated precisely via using the LESD law. Based on this, four kinds of energy-based rockburst indices are applied to quantitatively assess the burst proneness for phyllites. Combined with the recorded images of high-speed camera system, ejection distance, and mass of rock fragments and powder, the burst proneness for phyllites with various bedding angles is qualitatively evaluated adopting the far-field ejection mass ratio. Next, burst proneness of anisotropic phyllites is assessed quantitatively and qualitatively. It is found that phyllites with bedding angles of 0°, 15°, and 90° have a high burst proneness, and that with bedding angle of 30° has a medium burst proneness, whereas the ones with bedding angles of 45°, 60°, and 75° have a low burst proneness. Finally, the published experimental data of shale and sandstone specimens with different bedding angles are extracted, and it is preliminarily verified that the bedding angle does not change the LESD law of rocks.

Chemical Composition, In vitro and In silico Evaluation of Essential Oil Extracted from Mentha Piperita L. for Lung Cancer

Background: Mentha piperita, a naturally occurring herb, is utilized in medicinal formulations. It possesses abundant bioactive elements, including flavonoids and phenolic acid compounds,that exhibit various properties such as antioxidants, anti-inflammatory and anti-cancer. Objective: In the present study, chemical constituents of essential oil extracted from Mentha piperita were analyzed and identified through GC-MS. In vitro antiproliferative activity was performed on A549 lung cancer cell line lines. In silico study was conducted by Schrodinger’s Maestro’s software to identify chemical constituents in the plant as potential EGFR (Epidermal Growth Factor Receptors) inhibitors Methods: Hydro-distilled essential oil was analyzed by GC-MS to identify chemical components based on the retention index and mass fragmentation pattern, which was then tested for its antiproliferative activity by MTT assay against human lung cancer cell lines. All the identified constituents were investigated in silico for their affinity towards EGFR (Epidermal Growth Factor Receptors). Results: A total of thirty constituents were identified where D-carvone (56.69%), L-limonene (12.36%), squalene (3.36%), cis-carveol (2.93%), and α-amorphene (2.36%) were observed as major constituents of the essential oil. The essential mentha oil also exhibited antiproliferative activity against lung cancer cell lines with an IC50 value of 86.05 µg/ml. Furthermore, from the in silico study, five constituents were identified to have a better affinity for EGFR (Epidermal Growth Factor Receptors) than that of the standard drug Osimertinib. Conclusion: In the present study, the aerial part of the plant Mentha piperita was hydrodistilled.Thirty phytoconstituents were identified through GC-MS data. An in-silico study was performed using Schrodinger software, and a further in vitro study was performed in which essential oil showedgood antiproliferative activity against the A549 cancer cell line.

Re-investigation of the interplay of fission modes and non-equilibrium fission processes in heavy actinide nuclei 249Bk and 257Md

Measurements of mass and angular distributions of fission fragments from actinide nuclei 249Bk and 257Md, produced in fusion reactions 11B and 19F + 238U, are presented. Experimentally observed mass ratio distributions indicate “multi-chance fission” through the interplay of fission modes in the fission process, and they agree well with predictions from calculations using the GEF (“GEneral description of Fission observables”) model code. Furthermore, to test the signatures of events from non-compound nuclear processes in the fission of 249Bk and 257Md nuclei, Monte Carlo statistical decay model calculations using GEMINI++ were performed for the measured mass distribution at all energies. For comparison purposes, the fission fragment mass distributions of neighboring heavy actinide nuclei, previously measured in the fission of 250Cf and 254Fm nuclei produced by 12C and 16O projectiles on a 238U target, are also presented. The measured angular anisotropy data for the 19F + 238U reaction differ from the results of the Transition State Model (TSM) at energies below the fusion barrier. As a result of the present study, we suggest considering the interplay between K relaxation time, dynamic dissipation, and their influence on shell correction to understand the evolution of fission dynamics in heavy-ion-induced actinide nuclei.

Simultaneous qualitative and quantitative analysis for evaluating constituents of Atractylodis macrocephalae rhizome by UPLC-QTOF-MS

AbstractAtractylodis macrocephalae rhizome (AMR) belongs to medicine food homology. Its' clinical application of invigorating the spleen-stomach of AMR was applied to various diseases. In this research, a UPLC-QTOF-MS method was developed for qualitative and quantitative analysis of AMR, simultaneously. A Waters Acquity BEH C18 column (2.1 mm × 100 mm, 1.7 μm particle size) was used for separation of AMR multi-components. The column was eluted with a mobile phase of 0.1% formic acid-water and 0.1% formic acid-acetonitrile. Electron spray ionization with positive-ion mode and external standard method was utilized for quantifying the nine analytes in AMR. Constituents of AMR were scanned by UPLC-QTOF-MS and then identified by mass fragments and chromatographic information compared with the published literature and reference standards. Under positive mode, a total of 61 chemical compositions including 16 terpenoids, 8 polyacetylenes, 6 aromatics, 5 flavonoids, 5 coumarins, 5 organic acids, 4 amino acids, 3 fatty acids, 3 aliphatics, 2 steroids, and 2 alkenes, a nucleoside and an aldehyde were identified. Simultaneously, the contents of three amino acids (L-tyrosine, L-phenylalanine, and L-tryptophan), three sesquiterpenoids (atractylenolide Ⅲ, atractylenolide Ⅱ, and atractylenolide Ⅰ), a flavonoid (rutin), an organic acid (ferulic acid), and a pentacyclic triterpenoid (oleanolic acid) were determined in seventeen AMR batches. Amino acids and triterpenoid were quantified for the first time in AMR. The UPLC-QTOF-MS method developed in this article was reliable, practical, and useful for qualitative and quantitative evaluation of AMR multi-components.

Influence of explosive type and constant γ in Mott’s stochastic model on terminal-ballistics parameters of high-explosive warheads using numerical simulations

The research examined the use of numerical simulations for high-explosive (HE) munitions. Lagrange and Euler solvers from Ansys Autodyn, whose brief theoretical synopsis is given, were utilized. Numerical program modeling of materials under dynamic loads (explosives and solid bodies) is also explained. The study also provides a brief summary of relevant research works that address numerical simulations of the fragmentation of HE projectiles (warheads). First, using data from other authors, the numerical model in this paper was effectively validated. The original research in the publication included an evaluation of the influence of explosive type on mass distribution, as well as velocity and the kinetic energy of fragments on cylindrical warheads, along with some recommendations and findings. Results show that ordered by values of initial fragment velocity are explosives: Trinitrotoluen (TNT), H6, Comp. B, Octol, PBX-9404-3, and LX-10-1. Explosives LX-10-1 and PBX-9404-3 showed similar performance because both explosives are HMX-based mixtures, with LX-10-1 having 0.5% more Octogen (HMX). The greatest (fastest) expansion of fragments (for the given time frame of 150 µs) is present in the most potent explosives (LX-10-1 and PBX-9404-3) since they have the largest detonation velocities. In the configurations with stronger explosives (Octol, LX-10-1, PBX-9404-3), the front and rear cover of the cylinder is more fragmented than in the case of weaker explosives. The highest number of fragments is obtained with PBX-9404-3 explosive, 142% higher than using TNT charge. Also, as part of the original research in the paper, an assessment of the influence of the constant γ in Mott’s stochastic fragmentation model on the mass distribution of fragments and their kinetic energy was made. Results indicate that constant γ has the greatest influence on the number of very small fragments, which can be used when calibrating this constant with experimental data. The masses of fragments are relatively uniform (for all γ values) up to the mass group of 50–100 g, above which the most massive fragments are obtained when γ = 5. Most of the fragments have relatively high energy where that is, fragments of mass 0.5–2 g have an average kinetic energy of 470–650 J, while fragments of masses 50–100 g have an average kinetic energy of 50–85 kJ. Described numerical simulations are a valuable tool for HE warhead designers, as they can minimize the time and expense associated with optimizing HE munition design and effectiveness evaluation when used in conjunction with available analytical techniques and experimentation procedures.

Proteomic analysis of post-COVID condition: Insights from plasma and pellet blood fractions

BackgroundPersistent symptoms extending beyond the acute phase of SARS-CoV-2 infection, known as Post-COVID condition (PCC), continue to impact many individuals years after the COVID-19 pandemic began. This highlights an urgent need for a deeper understanding and effective treatments. While significant progress has been made in understanding the acute phase of COVID-19 through omics-based approaches, the proteomic alterations linked to the long-term effects of the infection remain underexplored. This study aims to investigate these proteomic changes and develop a method for stratifying disease severity. MethodsUsing Sequential Window Acquisition of All Theoretical Fragment Ion Mass Spectra (SWATH-MS) technology, we performed comprehensive proteomic profiling of blood samples from 65 PCC patients. Both plasma and pellet (cellular components) fractions were analyzed to capture a wide array of proteomic changes associated with PCC. ResultsProteomic profiling revealed distinct differences between symptomatic and asymptomatic PCC patients. In the plasma fraction, symptomatic patients exhibited significant upregulation of proteins involved in coagulation, immune response, oxidative stress, and various metabolic processes, while certain immunoglobulins and proteins involved in cellular stress responses were downregulated. In the pellet fraction, symptomatic patients showed upregulation of proteins related to immune response, coagulation, oxidative stress, and metabolic enzymes, with downregulation observed in components of the complement system, glycolysis enzymes, and cytoskeletal proteins. A key outcome was the development of a novel severity scale based on the concentration of identified proteins, which correlated strongly with the clinical symptoms of PCC. This scale, derived from unsupervised clustering analysis, provides precise quantification of PCC severity, enabling effective patient stratification. ConclusionsThe identified proteomic alterations offer valuable insights into the molecular mechanisms underlying PCC, highlighting potential biomarkers and therapeutic targets. This research supports the development of tailored clinical interventions to alleviate persistent symptoms, ultimately enhancing patient outcomes and quality of life. The quantifiable measure of disease severity aids clinicians in understanding the condition in individual patients, facilitating personalized treatment plans and accurate monitoring of disease progression and response to therapy.