Aeolian transportation mechanics and mass movement of surficial beach sands – a case study on Bendi-BaruvaMineral Sand Deposit, Srikakulam District, Andhra Pradesh

Surficial sediment transportation studies carried out in the beach zone of Bendi-Baruva mineral sand deposit show that sand grains are transported by wind (saltation and suspension) beyond the high water line. The sand population of the study area contains heavy mineral sands (~20%) like ilmenite, garnet and sillimanite which covers 95% of the heavy mineral distribution with subordinate amounts of monazite, rutile, and zircon whereas light mineral sands (~80%) contain mostly quartz. Due to the sorted nature of these beach and dune sands the whole spectra falls within a specific range of grain size which shows a bi-modal distribution, primary mode at 0.025cm and secondary at 0.015cm. Due to this variation in density and grain size, mass of these sand particles vary resulting in differential transportation in any energy regime. In the study area, on the beach near the frontal dunes, surficial concentration of garnet grains are observed in patches having an average thickness 0.2cm i.e. around ten times of the dominant grain diameter. This surficial enrichment of garnet grains resting on a semi-uniform sand surface is the result of differential transportation of the dominant mineral grains. As more than 80% of the grain size population show a dominant grain size of 0.025cm, the wind flow parameters for the whole population is standardized with mean grain diameter (D) of 0.025cm. Mass of dominant individual minerals arrived from the grain counting technique was tallied with the theoretical mass considering spherical shape of the grains indicates a difference of mass to be within 5%. For ease of calculation and generalization the grains were considered to be spherical and their theoretical masses were taken into consideration in calculations. Considering the whole spectra of mineralogical distribution, a theoretical mass group distribution for dominant different minerals of different dominant grain sizes were formulated and total six mass groups were identified. Because quartz (~80%), ilmenite, sillimanite and garnet (together ~20%) are the most abundant, their positions were identified specifically in the theoretical mass groups and only these are considered for further discussion. To analyse wind velocity and pressure at different heights from the surface, a sediment trap was fabricated using piezo-electric sensors. A tail was attached to orient the device parallel to the wind flow so that the piezo surfaces always face the wind flow at 900 angle. The device records pressure data and converts those into voltage. Using the velocity data, macroscopic physical quantities of aeolian transportation were calculated for the study area, which empirically show the effect of mass in differential transportation of the dominant minerals that gives rise to these surficial garnet patches.

Relationship between the Plasma Proteome and Changes in Inflammatory Markers after Bariatric Surgery

Severe obesity is a disease associated with multiple adverse effects on health. Metabolic bariatric surgery (MBS) can have significant effects on multiple body systems and was shown to improve inflammatory markers in previous short-term follow-up studies. We evaluated associations between changes in inflammatory markers (CRP, IL6 and TNFα) and circulating proteins after MBS. Methods: Sequential window acquisition of all theoretical mass spectra (SWATH-MS) proteomics was performed on plasma samples taken at baseline (pre-surgery) and 6 and 12 months after MBS, and concurrent analyses of inflammatory/metabolic parameters were carried out. The change in absolute abundances of those proteins, showing significant change at both 6 and 12 months, was tested for correlation with the absolute and percentage (%) change in inflammatory markers. Results: We found the following results: at 6 months, there was a correlation between %change in IL-6 and fold change in HSPA4 (rho = −0.659; p = 0.038) and in SERPINF1 (rho = 0.714, p = 0.020); at 12 months, there was a positive correlation between %change in IL-6 and fold change in the following proteins—LGALS3BP (rho = 0.700, p = 0.036), HSP90B1 (rho = 0.667; p = 0.05) and ACE (rho = 0.667, p = 0.05). We found significant inverse correlations at 12 months between %change in TNFα and the following proteins: EPHX2 and ACE (for both rho = −0.783, p = 0.013). We also found significant inverse correlations between %change in CRP at 12 months and SHBG (rho = −0.759, p = 0.029), L1CAM (rho = −0.904, p = 0.002) and AMBP (rho = −0.684, p = 0.042). Conclusion: Using SWATH-MS, we identified several proteins that are involved in the inflammatory response whose levels change in patients who achieve remission of T2DM after bariatric surgery in tandem with changes in IL6, TNFα and/or CRP. Future studies are needed to clarify the underlying mechanisms in how MBS decreases low-grade inflammation.

Medical Peat Waste Upcycling to Carbonized Solid Fuel in the Torrefaction Process

Peat is the main type of peloid used in Polish cosmetic/healing spa facilities. Depending on treatment and origin, peat waste can be contaminated microbiologically, and as a result, it must be incinerated in medical waste incineration plants without energy recovery (local law). Such a situation leads to peat waste management costs increase. Therefore, in this work, we checked the possibility of peat waste upcycling to carbonized solid fuel (CSF) using torrefaction. Torrefaction is a thermal treatment process that removes microbiological contamination and improves the fuel properties of peat waste. In this work, the torrefaction conditions (temperature and time) on CSF quality were tested. Parallelly, peat decomposition kinetics using TGA and torrefaction kinetics with lifetime prediction using macro-TGA were determined. Furthermore, torrefaction theoretical mass and energy balance were determined. The results were compared with reference material (wood), and as a result, obtained data can be used to adjust currently used wood torrefaction technologies for peat torrefaction. The results show that torrefaction improves the high heating value of peat waste from 19.0 to 21.3 MJ × kg−1, peat main decomposition takes place at 200–550 °C following second reaction order (n = 2), with an activation energy of 33.34 kJ × mol−1, and pre-exponential factor of 4.40 × 10−1 s−1. Moreover, differential scanning calorimetry analysis revealed that peat torrefaction required slightly more energy than wood torrefaction, and macro-TGA showed that peat torrefaction has lower torrefaction constant reaction rates (k) than wood 1.05 × 10−5–3.15 × 10−5 vs. 1.43 × 10−5–7.25 × 10−5 s−1.

Determination of Kinetic Properties in Unimolecular Dissociation of Complex Systems from Graph-Theory Based Analysis of an Ensemble of Reactive Trajectories.

<div>We describe and apply a general approach based on graph-theory to obtain kinetic and structural properties from direct dynamics simulations. In particular, we focus on the unimolecular fragmentation of complex systems in which, prior to dissociation, different events can take place, and notably isomerizations and formation of ion-molecule complex.</div><div>3-state and 4-state kinetic models are thus obtained and rate constants for global or specific pathways are obtained from direct counting and flux calculation, both being in agreement.<br />Finally, we show how a theoretical mass spectrum can also be obtained automatically.<br /></div>

Comprehensive Library Generation for Identification and Quantification of Endometrial Cancer Protein Biomarkers in Cervico-Vaginal Fluid

Endometrial cancer is the most common gynaecological malignancy in high-income countries and its incidence is rising. Early detection, aided by highly sensitive and specific biomarkers, has the potential to improve outcomes as treatment can be provided when it is most likely to effect a cure. Sequential window acquisition of all theoretical mass spectra (SWATH-MS), an accurate and reproducible platform for analysing biological samples, offers a technological advance for biomarker discovery due to its reproducibility, sensitivity and potential for data re-interrogation. SWATH-MS requires a spectral library in order to identify and quantify peptides from multiplexed mass spectrometry data. Here we present a bespoke spectral library of 154,206 transitions identifying 19,394 peptides and 2425 proteins in the cervico-vaginal fluid of postmenopausal women with, or at risk of, endometrial cancer. We have combined these data with a library of over 6000 proteins generated based on mass spectrometric analysis of two endometrial cancer cell lines. This unique resource enables the study of protein biomarkers for endometrial cancer detection in cervico-vaginal fluid. Data are available via ProteomeXchange with unique identifier PXD025925

Determination of Kinetic Properties in Unimolecular Dissociation of Complex Systems from Graph-Theory Based Analysis of an Ensemble of Reactive Trajectories.

<div>We describe and apply a general approach based on graph-theory to obtain kinetic and structural properties from direct dynamics simulations. In particular, we focus on the unimolecular fragmentation of complex systems in which, prior to dissociation, different events can take place, and notably isomerizations and formation of ion-molecule complex.</div><div>3-state and 4-state kinetic models are thus obtained and rate constants for global or specific pathways are obtained from direct counting and flux calculation, both being in agreement.<br>Finally, we show how a theoretical mass spectrum can also be obtained automatically.<br></div>

Determination of Kinetic Properties in Unimolecular Dissociation of Complex Systems from Graph-Theory Based Analysis of an Ensemble of Reactive Trajectories.

<div>We describe and apply a general approach based on graph-theory to obtain kinetic and structural properties from direct dynamics simulations. In particular, we focus on the unimolecular fragmentation of complex systems in which, prior to dissociation, different events can take place, and notably isomerizations and formation of ion-molecule complex.</div><div>3-state and 4-state kinetic models are thus obtained and rate constants for global or specific pathways are obtained from direct counting and flux calculation, both being in agreement.<br>Finally, we show how a theoretical mass spectrum can also be obtained automatically.<br></div>

Comparative Analysis of Bursaphelenchus xylophilus Secretome Under Pinus pinaster and P. pinea Stimuli

The pinewood nematode (PWN), Bursaphelenchus xylophilus, the pine wilt disease’s (PWD) causal agent, is a migratory endoparasitic nematode skilled to feed on pine tissues and on fungi that colonize the trees. In order to study B. xylophilus secretomes under the stimulus of pine species with different susceptibilities to disease, nematodes were exposed to aqueous pine extracts from Pinus pinaster (high-susceptible host) and P. pinea (low-susceptible host). Sequential windowed acquisition of all theoretical mass spectra (SWATH-MS) was used to determine relative changes in protein amounts between B. xylophilus secretions, and a total of 776 secreted proteins were quantified in both secretomes. From these, 22 proteins were found increased in the B. xylophilus secretome under the P. pinaster stimulus and 501 proteins increased under the P. pinea stimulus. Functional analyses of the 22 proteins found increased in the P. pinaster stimulus showed that proteins with peptidase, hydrolase, and antioxidant activities were the most represented. On the other hand, gene ontology (GO) enrichment analysis of the 501 proteins increased under the P. pinea stimulus revealed an enrichment of proteins with binding activity. The differences detected in the secretomes highlighted the diverse responses from the nematode to overcome host defenses with different susceptibilities and provide new clues on the mechanism behind the pathogenicity of this plant-parasitic nematode. Proteomic data are available via ProteomeXchange with identifier PXD024011.