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A digital instructional game with embedded multimedia was believed not limited to allowing the learner to visualize chemistry concepts while playing but enable them to collect relevant information that connects the understanding of the other. The subject was described as a core science area with multiple macroscopic, submicroscopic, and symbolic representations. Thus, the study intended to investigate the effectiveness of the instructional game in enhancing students' cognitive development in learning chemical symbols and periodicity of elements. An instructional tool called Symperiod Board Game) The study was designed and developed, containing 20 test items distributed in three different levels in order of complexity from simple to complex. The between-group experimental research design was adopted for this study in which 20 Form IV students distributed into four groups was selected. The alpha value 0.830 of the Pearson correlation coefficient determines the strength of the instrument's reliability, hence used for data collection. The data obtained were analyzed using descriptive statistics, and the results indicated that the cognitive development of the respondents' increases as students play the instructional game from level 1 to 3. Thus, the study reveals that a learner cannot understand a concept if he/she does not first remember it; similarly, he/she cannot apply knowledge and concepts if he/she does not understand them. It is imperative to conclude that the poor performance of students in chemistry can be associated with the quality of instruction provided by the teacher during classroom instructions.

Introduction: Cardiac diseases emerge as the primary culprits behind sudden and unexplained deaths. Morphological evaluation through autopsy is invaluable in establishing the prevalence of cardiac lesions and coronary atherosclerosis within the general population. It provides healthcare researchers with valuable insights to develop preventive measures and early detection strategies crucial for improving survival rates. Aim: To estimate the prevalence of cardiac lesions in postmortem specimens of the heart from autopsies of sudden and unexplained deaths. Materials and Methods: The present cross-sectional study was conducted in the Department of Pathology, Government Medical College (a public sector hospital), Cochin, Kerala, India, from January to December 2021 on 140 specimens of the heart. Medicolegal autopsies were performed in the Department of Forensic Medicine, with specimens forwarded to the Pathology Department for histopathological examination. Hearts dissected by the modified Virchow’s method were examined for gross pathology in the cardiac wall, chambers, valves, coronaries and aorta. Microscopy findings were documented and the grading of coronary atherosclerosis was done using the Modified American Heart Association (AHA) criteria. Proportions were analysed from the compiled data using a Chi-square test. Statistical analysis was done using Statistical Package for the Social Sciences (SPSS) software version 21.0 software. Results: In the study encompassing 140 adult autopsies, the mean age of the study population was 45.98 with a Standard Deviation (SD) of 15.82 years and the male to female ratio was 3.5:1. The prevalence of cardiac lesions was as follows: coronary artery atherosclerosis (80.70%), Ischaemic Heart Disease (IHD) (44.28%), cardiac hypertrophy and hypertension (10%), pericarditis (6.42%) and myocarditis (3.50%). The male-to-female ratio for coronary atherosclerosis was 4.4:1, with triple vessel disease observed in 42.90% of cases. Atherosclerosis severity grades included early non atheromatous lesions (19.3%), Pathological Intimal Thickening (PIT) (23.6%), and advanced atherosclerotic lesions (37.80%). Among cases associated with Coronavirus Disease 2019 (COVID-19)-related deaths (10.7%), changes noted included myocarditis, microhaemorrhages, oedema, capillary dilatation, fibrin deposition and inflammatory infiltrates. Conclusion: The present study revealed a high prevalence of coronary atherosclerosis affecting all three vessels, particularly among the younger population. This underscores the significance of screening for cardiovascular risk factors and implementing preventive measures from an early age.

Cryptococcus neoformans, a saprophyte, is commonly found in soil contaminated with pigeon droppings but has also been isolated from the wood of several tree species in South America and India, including the flowers and bark of eucalyptus trees. Inhalation of small, encapsulated yeasts may lead to an initial pulmonary infection. However, this is usually short-lived and frequently silent, especially in immunocompetent individuals. Immunocompromised patients are usually tested for Cryptococcus as a causative agent when presenting with features of meningitis, but when dealing with immunocompetent patients, it is seldom considered. This report presented a case of a 39-year-old male who was apparently immunocompetent, yet developed cryptococcal meningitis. He had no prior history of any chronic illness, malignancy, immunosuppressive medication, or steroid use. Routine blood investigations were within normal limits. Autoimmune workup and viral markers were negative. He had raised Intracranial Pressure (ICP), Cerebrospinal Fluid (CSF) leukocytosis, and encapsulated yeast forms consistent with cryptococcal meningitis initially demonstrated by CSF cytology examination with Papanicolaou stain and May-Grunwald-Giemsa, and further confirmed by special stains. This case highlights the role of initial cytological workup in detecting cryptococcal infection through morphological and special stain studies in an immunocompetent host.

Abstract Atomically thin indium selenide (InSe) exhibits a sombrero-like valence band, leading to distinctive excitonic behaviors. It is known that the indirect band gap of atomically thin InSe leads to a weak emission from the lowest-energy excitonic state (A peak). However, the A peak emission of monolayer (ML) InSe was observed to be either absent or very weak, rendering the nature of its excitonic states largely unknown. Intriguingly, we demonstrate that ML InSe exhibits pronounced PL emission because of the efficient brightening of the momentum-indirect dark excitons. The mechanism is attributed to acoustic phonon-assisted radiative recombination facilitated by strong exciton-acoustic phonon coupling and extended wavefunction in momentum space. Systematic analysis of layer-, power-, and temperature-dependent PL demonstrates that a carrier localization model can account for the asymmetric line shape of the lowest-energy excitonic emission for atomically thin InSe. Our work reveals that atomically thin InSe is a promising platform for manipulating the tightly bound dark excitons in two-dimensional semiconductor-based optoelectronic devices.

Pseudomonas sp. SBMCH11 was newly isolated from maritime soil samples which was identified by morphological, biochemical, and 16S rRNA gene sequencing. The isolated Pseudomonas sp. SBMCH11 had significant antibacterial activity against clinical bacterial strains including Pseudomonas aeruginosa and Staphylococcus aureus. Subsequently, high concentrations of antibacterial substances were achieved by optimizing the following parameters: pH (7.0), carbon (1 %), nitrogen sources (casein 0.2 %), NaCl (10 %), and incubation time (120 hrs). Furthermore, the extracted component from the Pseudomonas sp. SBMCH11 was shown to have a significant inhibitory effect on tested clinical pathogens. On the other hand, the extracted compound was confirmed as 2,4 di-tertbutylphenol (2,4 DTBP) by GC–MS with a molecular weight of 206.5 Daltons. Based on these findings, the isolated 2,4 DTBP could be recognized as a promising bioactive molecule for further antibacterial medication development. Compounds identified in the maritime environment from microorganisms, especially Pseudomonas sp. SBMCH11 could be regarded as a potential bio-factory for the synthesis of antibacterial compounds to suppress large numbers of pathogenic bacteria in the natural environment.

The present work focused on molecular structure and various spectroscopic studies of 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy] acetic acid is also called as Ethacrynic acid (EA). The B3LYP/6-311G(d,p) level of theory was adopted to compute the molecular geometry (monomer and dimer) for EA molecule, the computed geometrical parameters are well coincided with related XRD data. The Natural Bond Orbital (NBO) was calculated to find donor-acceptor interaction. The vibrational modes of EA molecule was computed by B3LYP/6-311G(d,p) method and assignments were carried out by finding Potential Energy Distribution (PED) using VEDA software. The deviation in wavenumber of O-H vibrations (in COOH) group evident the intermolecular hydrogen bond interaction is possible between nearby molecules. The Gauge Independent Atomic Orbital (GIAO) method is used to find 1H and 13C NMR chemical shift and correlated with recorded NMR spectrum. The Time-Dependent density functional theory (TD-DFT) is used to determine the various electronic parameters. The intra, inter molecular and non covalent interactions of the EA molecule are examined by Atoms in Molecules (AIM), ELF, LOL and RDG analysis. From AIM analysis the EA molecule form C-H…...Cl hydrogen bond of energies 1.2863 and 1.1922 Kcal/mol in both monomer and dimer were determined. Mulliken atomic charge analysis is used find the electronegativity equalization and charge transfer in the molecular system. Fukui function carried out to identify electrophilic and nucleophilic attack in the EA molecule. Thermal (DTA) and thermogravimetric (TG) analyzes adopted to determine the thermal behavior of compound which denote the compound dissociate around 122.5 °C. The thermodynamic parameters for different temperature were also calculated by B3LYP/6-311G(d,p) method. The EA compound was monitor to the antibacterial activity by agar well diffusion method. Molecular docking analysis carried out using Autodock software with protein inhibit thyroid and breast cancer show binding energies of -4.79 and -3.99 Kcal/mol.

Citrus reticulata dropped fruits are generally discarded as waste, causing environmental pollution and losses to farmers. In the present study, column chromatography has been used to isolate quinic acid (1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid) from the ethyl acetate fraction of a methanol extract of citrus fruits dropped in April. Quinic acid is a ubiquitous plant metabolite found in various plants and microorganisms. It is an important precursor in the biosynthesis of aromatic natural compounds. It was further derivatized into 3,4-o-isopropylidenequinic acid 1,5-lactone (QA1), 1,3,4,5-tetraacetoxycyclohexylaceticanhydride (QA2), and cyclohexane-1,2,3,5-tetraone (QA3). These compounds were further tested for their antibacterial potential against the foodborne pathogens Staphylococcus aureus, Bacillus spp., Yersinia enterocolitica, and Escherichia coli. QA1 exhibited maximum antibacterial potential (minimum inhibitory concentration; 80–120 μg/mL). QA1 revealed synergistic behavior with streptomycin against all the tested bacterial strains having a fractional inhibitory concentration index ranging from 0.29 to 0.37. It also caused a significant increase in cell constituent release in all the tested bacteria compared to the control, along with prominent biofilm reduction. The results obtained were further checked with computational studies that revealed the best docking score of QA1 (−6.30 kcal/mol, −5.8 kcal/mol, and −4.70 kcal/mol) against β-lactamase, DNA gyrase, and transpeptidase, respectively. The absorption, distribution, metabolism, excretion, and toxicity (ADMET) analysis revealed that the drug-like properties of QA1 had an ideal toxicity profile, making it a suitable candidate for the development of antimicrobial drugs.

Abstract The application of machine learning (ML) models to optimize antibody affinity to an antigen is gaining prominence. Unfortunately, the small and biased nature of the publicly available antibody-antigen interaction datasets makes it challenging to build an ML model that can accurately predict binding affinity changes due to mutations (ΔΔG). Recognizing these inherent limitations, we reformulated the problem to ask whether an ML model capable of classifying deleterious vs non-deleterious mutations can guide antibody affinity maturation in a practical setting. To test this hypothesis, we developed a Random Forest classifier (Antibody Random Forest Classifier or AbRFC) with expert-guided features and integrated it into a computational-experimental workflow. AbRFC effectively predicted non-deleterious mutations on an in-house validation dataset that is free of biases seen in the publicly available training datasets. Furthermore, experimental screening of a limited number of predictions from the model (

Abstract This paper deals with the evaluation of novel imidazole molecules for their antimicrobial and larvicidal activities. A series of imidazole derivatives 1(a–f) and 2(a–e) were prepared by the Mannich base technique using a Cu(II) catalyst. The Cu(phen)Cl2 catalyst was found to be more effective than other methods. FTIR, elemental analyses, mass spectrometry, 1H NMR, and 13C NMR spectroscopy were performed to elucidate the structures of the synthesised compounds. Antimicrobial and larvicidal activities were investigated for all compounds. The antibacterial activity of compounds (2d) and (2a) were highly active in S.aureus (MIC: 0.25 μg/mL) and K.pneumoniae (MIC: 0.25 μg/mL) compared to ciprofloxacin. Compound (1c) was significantly more effective than clotrimazole in C.albicans (MIC: 0.25 μg/mL). Molecular docking studies of compound 2d showed a higher binding affinity for the 1BDD protein (− 3.4 kcal/mol) than ciprofloxacin (− 4.4 kcal/mol). Compound 1c had a higher binding affinity (− 6.0 kcal/mol) than clotrimazole (− 3.1 kcal/mol) with greater frontier molecular orbital energy and reactivity properties of compound 1c (∆E gap = 0.13 eV). The activity of compound 1a (LD50: 34.9 μg/mL) was more effective in the Culex quinquefasciatus than permethrin (LD50: 35.4 μg/mL) and its molecular docking binding affinity for 3OGN protein (− 6.1 kcal/mol). These newly synthesised compounds can act as lead molecules for the development of larvicides and antibiotic agents.

Glutathione-S-transferases (GST) enzymes detoxify xenobiotics and are implicated in response to anticancer therapy. This study evaluated the association of GST theta 1 (GSTT1), GSTT2, and GSTT2B with Mycobacterium bovis Bacillus Calmette–Guérin (BCG) response in non-muscle-invasive bladder cancer treatment. In vitro assessments of GSTT2 knockout (KO) effects were performed using cell lines and dendritic cells (DCs) from GSTT2KO mice. Deletion of GSTT2B, GSTT1, and single-nucleotide polymorphisms in the promoter region of GSTT2 was analysed in patients (n = 205) and healthy controls (n = 150). Silencing GSTT2 expression in MGH cells (GSTT2BFL/FL) resulted in increased BCG survival (p < 0.05) and decreased cellular reactive oxygen species. In our population, there are 24.2% with GSTT2BDel/Del and 24.5% with GSTT2BFL/FL. With ≤ 8 instillations of BCG therapy (n = 51), 12.5% of GSTT2BDel/Del and 53.8% of GSTT2BFL/FL patients had a recurrence (p = 0.041). With ≥9 instillations (n = 153), the disease recurred in 45.5% of GSTT2BDel/Del and 50% of GSTT2BFL/FL. GSTT2FL/FL patients had an increased likelihood of recurrence post-BCG therapy (HR 5.5 [1.87–16.69] p < 0.002). DCs from GSTT2KO mice produced three-fold more IL6 than wild-type DCs, indicating a robust inflammatory response. To summarise, GSTT2BDel/Del patients respond better to less BCG therapy and could be candidates for a reduced surveillance regimen.

Quantitative assessment of nucleophosmin 1 (NPM1) mutation status is integral to evaluating measurable residual disease (MRD) in NPM1-mutated acute myeloid leukemia (AML) patients. In a retrospective study, leftover peripheral blood (PB) specimens (n = 40) which were collected for routine clinical diagnostic evaluations of AML disease burden were tested by both a novel automated RT-qPCR quantitative NPM1 assay (Xpert NPM1 mutation assay) and the NPM1 mutA, mutB&D MutaQuant kit. Based on a Deming regression analysis, there was a high correlation (slope = 0.92; intercept = 0.12; Pearson’s r = 0.982) between the quantitative results of the Xpert NPM1 mutation assay and the NPM1 mutA, mutB&D MutaQuant kit. The Xpert test quantitative results are thus highly correlated with the comparator method and the former has potential as a useful alternative for the monitoring of AML patients with a known NPM1 mutation.

Anhydrous milk fat, a household staple in domestic India, faces the threat of adulteration due to its high cost. Vanaspati ghee (hydrogenated vegetable oil) is one such adulterant that has been reported in ghee. The presence of vanaspati ghee (hydrogenated vegetable oil) in anhydrous milk fat was investigated using ATR-FTIR spectroscopy in combination with chemometric techniques. Spectral data were collected for pure ghee, vanaspati ghee, and ghee samples spiked with vanaspati ghee at different levels (1 %, 3 %, 5 %, 7 %, 9 %, 12 %, and 15 %), encompassing the wavenumber range of 4000–500 cm−1. PCA analysis revealed distinct clustering patterns in specific wavenumber regions (1120–1080 cm−1 and 985–955 cm−1) at a significance level of 5 %, effectively distinguishing pure ghee from adulterated samples. SIMCA showed 100 % classification efficiency for pure and vanaspati ghee samples. Additionally, the developed PLS and PCR models exhibited high R2 values (∼1), indicating robust predictive accuracy for detecting vanaspati ghee adulteration in ghee at different concentrations. Thus, ATR-FTIR and chemometrics successfully enabled the detection of vanaspati ghee in milk fat, with a sensitivity as high as 1 %.

The grindstone process, which uses tyrosinase as a catalyst, was used to create analogues of geranylacetone. Tyrosinase was used to prepare the Mannich base under favourable reaction conditions, resulting in a high yield. All synthesized compounds were characterized using FTIR, Nuclear magnetic resonance, and mass spectral analyses. The active geranylacetone derivatives (1a-l) were investigated for larvicidal activity against Culex quinquefasciatus; compound 1b (LD50:20.7 μg/mL) was noticeably more effective than geranylacetone (LD50: >100 μg/mL) and permethrin (LD50: 24.4 μg/mL) lead compounds because of their ability to kill larvae and use them as pesticides. All compounds (1a-1l) were found to be low toxic, whereas compounds 1b, 1d, and 1k were screened for antifeedant screening of non -aquatic target for the toxicity measurement against marine fish Oreochromis mossambicus at 100 μg/mL caused 0% mortality in within 24 h. Molecular docking studies of synthesised compound 1b and permethrin docked with 3OGN, compound 1b demonstrated a greater binding affinity (−9.6 kcal/mol) compared to permethrin (−10.5 kcal/mol). According to these results, the newly synthesised geranylacetone derivatives can serve as lead molecules of larvicides agents.

High–speed, high–power photodiodes play a key role in wireless communication systems for the generation of millimeter wave (MMW) and terahertz (THz) waves based on photonics–based techniques. Uni–traveling–photodiode (UTC–PD) is an excellent candidate, not only meeting the above–mentioned requirements of broadband (3 GHz~1 THz) and high–frequency operation, but also exhibiting the high output power over mW–level at the 300 GHz band. This paper reviews the fundamentals of high–speed, high–power photodiodes, mirror–reflected photodiodes, microstructure photodiodes, photodiode–integrated devices, the related equivalent circuits, and design considerations. Those characteristics of photodiodes and the related photonic–based devices are analyzed and reviewed with comparisons in detail, which provides a new path for these devices with applications in short–range wireless communications in 6G and beyond.

Ice-nucleating particles (INPs) in the Southern Ocean (SO) atmosphere have significant impacts on cloud radiative and microphysical properties. Yet, INP prediction skill in climate models remains poorly understood, in part because of the lack of long-term measurements. Here we show, for the first time, how model-simulated INP concentrations compare with year-round INP measurements during the Macquarie Island Cloud Radiation Experiment (MICRE) campaign from 2017–2018. We simulate immersion-mode INP concentrations using the Energy Exascale Earth System Model version 1 (E3SMv1) by combining simulated aerosols with recently developed deterministic INP parameterizations and the native classical nucleation theory (CNT) for mineral dust in E3SMv1. Because MICRE did not collect aerosol measurements of super-micron particles, which are more effective ice nucleators, we evaluate the model's aerosol fields at other high-latitude sites using long-term in situ observations of dust and sea spray aerosol. We find that the model underestimates dust and overestimates sea spray aerosol concentrations by 1 to 2 orders of magnitude for most of the high-latitude sites in the Southern Hemisphere. We next compare predicted INP concentrations with concentrations of INPs collected on filter samples (typically for 2 or 3 d) and processed offline using the Colorado State University ice spectrometer (IS) in immersion freezing mode. We find that when deterministic parameterizations for both dust and sea spray INPs are used, simulated INPs are within a factor of 10 of observed INPs more than 60 % of the time during summer. Our results also indicate that the E3SM's current treatment of mineral dust immersion freezing in the SO is impacted by compensating biases – an underprediction of dust amount was compensated by an overprediction of its effectiveness as INPs. We also perform idealized droplet freezing experiments to quantify the implications of the time-dependent behavior assumed by the E3SM's CNT-parameterization and compare with the ice spectrometer observations. We find that the E3SM CNT 10 s diagnostic used in this study is a reasonable approximation of the exact formulation of CNT, when applied to ice spectrometer measurements in low-INP conditions similar to Macquarie Island. However, the linearized 10 s diagnostic underestimates the exact formula by an order of magnitude or more in places with high-INP conditions like the Sahara. Overall, our findings suggest that it is important to correct the biases in E3SM's simulated dust life cycle and update E3SM's INP parameterizations. INP prediction errors of 2 to 3 orders of magnitude can have considerable impacts on the simulated cloud and radiative properties in global climate models. On comparing INP concentrations during MICRE against ship-based campaigns, Measurements of Aerosols, Radiation, and Clouds over the Southern Ocean (MARCUS) and Antarctic Circumnavigation Expedition (ACE), we find that INPs from the latter are significantly higher only in regions closer to Macquarie Island. This alludes to the fact that physical, chemical and biological processes affecting INP concentrations as stimulated by the island could be partly responsible for the high INP concentrations observed at Macquarie Island during the MICRE campaign. Therefore, improvements to both aerosol simulation and INP parameterizations are required to adequately simulate INPs and their cloud impacts in E3SM. It will be helpful to include a parallel measurement of the size-resolved aerosol composition and explore opportunities for long-term measurement platforms in future field campaigns studying INP sources in remote marine regions.

Pyran-4-one and chromenone are well known bioactive compounds, particularly antimicrobial activity. Present study investigation antibacterial activity of pyranone connected chromenone derivatives. New synthesis of pyrano[3,2-g]chromene-4,6-dione derivatives were synthesized via catalysis free eco-friendly method. Synthesized compounds were characterized by FTIR, 1H NMR, 13C NMR, and mass spectral analysis. An entirely new synthesis of pyrano[3,2-g]chromene-4,6-dione derivatives (1a–o) were studied for their in vitro antibacterial properties. The gram-positive bacterium B. cereus was thought to be the most sensitive of the studied microorganisms, and compounds 1f, 1 g, 1 k, 1 l, and 1o demonstrated the best antibacterial action. The results of the antibacterial activities would suggest that 1 g was more effective against B. cereus (MIC: 0.5 μg/mL) than other compounds and Ciprofloxacin (MIC: 2 μg/mL). Against B. cereus bacterial pathogens, compound 1 g demonstrated exceptional antibacterial activity. The compound 1 g and Ciprofloxacin docked with 5V8E protein action of compound 1 g (-7.2 kcal/mol) and ciprofloxacin (-3.2 kcal/mol) is quite potent, and it also showed greater binding affinity. DFT calculation was well support the performance of energy gap between low and highly active compounds for 1 k (ΔE gap = 0.15 eV) and 1 g (ΔE gap = 0.16 eV), respectively. The lead molecules were used for antibacterial agent.

Peripheral nerve injuries (PNIs) occur frequently and can lead to devastating and permanent sensory and motor function disabilities. Systemic tacrolimus (FK506) administration has been shown to hasten recovery and improve functional outcomes after PNI repair. Unfortunately, high systemic levels of FK506 can result in adverse side effects. The localized administration of FK506 could provide the neuroregenerative benefits of FK506 while avoiding systemic, off-target side effects. This study investigates the utility of a novel FK506-impregnated polyester urethane urea (PEUU) nerve wrap to treat PNI in a previously validated rat infraorbital nerve (ION) transection and repair model. ION function was assessed by microelectrode recordings of trigeminal ganglion cells responding to controlled vibrissae deflections in ION-transected and -repaired animals, with and without the nerve wrap. Peristimulus time histograms (PSTHs) having 1 ms bins were constructed from spike times of individual single units. Responses to stimulus onsets (ON responses) were calculated during a 20 ms period beginning 1 ms after deflection onset; this epoch captures the initial, transient phase of the whisker-evoked response. Compared to no-wrap controls, rats with PEUU-FK506 wraps functionally recovered earlier, displaying larger response magnitudes. With nerve wrap treatment, FK506 blood levels up to six weeks were measured nearly at the limit of quantification (LOQ ≥ 2.0 ng/mL); whereas the drug concentrations within the ION and muscle were much higher, demonstrating the local delivery of FK506 to treat PNI. An immunohistological assessment of ION showed increased myelin expression for animals assigned to neurorrhaphy with PEUU-FK506 treatment compared to untreated or systemic-FK506-treated animals, suggesting that improved PNI outcomes using PEUU-FK506 is mediated by the modulation of Schwann cell activity.

An innovative strategy has been developed to activate the basal planes in molybdenum disulfide (MoS2) to improve their electrocatalytic activity by controlling surface electron accumulation (SEA) through aging, annealing, and nitrogen-plasma treatments. The optimal hydrogen evolution reaction (HER) performance was obtained on the surface treated with nitrogen-plasma for 120 s. An overpotential of 0.20 V and a Tafel slope of 120 mV dec−1 were achieved for the optimized condition. The angle-resolved photoemission spectroscopy measurement confirmed the HER efficiency enhanced by the SEA conjugated with the sulfur vacancy active sites in the MoS2 basal planes. This study provides new insight into optimizing MoS2 catalysts for energy applications.

Introduction: Breast cancer is the second leading cause of cancer deaths in women after lung cancer. Breast cancer survival varies by racial and ethnic factors, stage at diagnosis, tumour grade, molecular subtypes and the treatment received. Molecular subtyping provides prognostic and predictive information about the risk of recurrence and is an essential tool in formulating guidelines in therapy. Aim: To identify the histopathological variants of Carcinoma (Ca) breast in women and to determine the various molecular subtypes by Immunohistochemistry (IHC). Materials and Methods: A cross-sectional study from January 2019 to December 2020 was done on 100 cases of invasive carcinoma breast at the Department of Pathology in a tertiary care center of Government Medical College, Ernakulam, Kerala. IHC was done on paraffin processed tissue sections of tumour using anti-Oestrogen Receptor (ER), anti-Progesterone Receptor (PR), anti-Human Epidermal growth factor Receptor 2 (HER2/neu) and Ki-67 antibodies. Molecular subtypes of Luminal-A, Luminal-B, HER2 enriched and triple negative (basal-like) were determined. The association between molecular subtypes and tumour grade, size, stage was analysed using IBM Statistical Package for the Social Sciences (SPSS) version 21.0 software. Chi-square test used for categorical variables, p-value

Produced water, also known as oily wastewater, is one of the major wastes in the oil and gas industry. During the hydrocarbon production, formation of emulsion takes place such as oil-in-water emulsion which has a huge financial effect on the sector. Oil and gas industry seeks highly effective and reasonable demulsifying chemicals to separate the oil-in-water emulsions into water and crude oil. Thus, in this publication, resin alkoxylate, cationic polyamine, cationic surfactant and ethylene oxide/propylene oxide (EO/PO) block copolymers are utilized to resolve the oil-in-water emulsion from a gas condensate field. According to the findings of preliminary screening, a unique demulsifier DB was formulated by incorporating resin alkoxylate and cationic surfactant at an optimal weight percentage ratio. Demulsification efficiency (De) of 96 % based on measurement of turbidity was attained after treating the oil-in-water (O/W) emulsion with demulsifier DB at a dosage of 7 ppm. To determine the demulsifier's efficiency further, the oil-in-water content (OiW) of the produced water was evaluated after the treatment with demulsifier DB. Oil removal efficiency (ORe) of 90% was achieved as the formulated demulsifier DB reduced the oil-in-water content (OiW) of O/W emulsion from 1008.3 ppm to 97.1 ppm within 15 minutes at the dosage of 7 ppm. Furthermore, interfacial tension (IFT) and Turbiscan analysis were performed to further study the demulsification process of blank sample and the addition of the demulsifier DB at the optimized dosage of 7 ppm. At demulsifier DB dosage of 7 ppm, the interfacial tension between oil and water reduced significantly compared to blank sample from 24.98 mN/m to 9.38 mN/m. The produced water sample after treatment with 7 ppm of demulsifier DB resulted in a significant increase of Turbiscan Stability Index (TSI) value of 8 which indicates the rate at which the separation of oil and water occurred. The attained results of IFT and Turbiscan analysis further validate that mixed surfactant system is more efficient than single surfactant system. By combining surfactants with different functional groups, mixed surfactant systems can exhibit greater surface activity than single surfactants.

Introduction: Fine Needle Aspiration Cytology (FNAC) is a valuable diagnostic aid for evaluation of lymph node pathology. The new Sydney System (2020) for classification and reporting of lymph node FNAC has put forth guidelines for a categorical classification using uniform terminology and morphologic criteria, a major step towards standardisation. Aim: The study was aimed to evaluate cytopathology of lymph node lesions during 2 year period by applying the proposed Sydney system and to assess the category wise Risk Of Malignancy (ROM) by comparing with histopathology diagnosis in available cases. Materials and Methods: A retrospective observational study was conducted in 2021 December, on lymph node aspirates obtained during two-year period from January 2018 till January 2020 in the department of Pathology of a tertiary care centre. FNAC of 250 lymph node aspirates were evaluated. Smears were reviewed and categorised as per the Sydney System of reporting as, L1: non diagnostic/inadequate, L2: benign, L3: atypical cells/atypical lymphoid cells of undetermined significance, L4: suspicious for malignancy, L5: malignant. The diagnostic accuracy of cytology and ROM in each category was assessed comparing with the gold standard histopathology diagnosis where available. Results: Category wise distribution of 250 cytological diagnosis of lymphadenopathy reclassified in Sydney system were L1-14 (5.60%); L2-159 (63.60%); L3-04 (1.60%); L4-05 (2%); and L5-68 (27.20%) cases. Using histopathology as gold standard available in 53 cases, the ROM in each category was found to be 0%, 3%, 66.66%, 100% and 100%, respectively. The sensitivity, specificity, Positive Predictive Value (PPV), Negative Predictive Value (NPV) and diagnostic accuracy of cytological diagnosis was found to be 95.65%, 96.29%, 95.65%, 96.29% and 96%, respectively. Reactive lymphadenitis in 86 (34.40%) and metastatic carcinoma in 61 (24.40%) cases were the most common benign and malignant lesions respectively. Conclusion: The Sydney system of structured reporting in lymph node cytology provides a clear-cut terminology, uniformity, and reproducibility of reports. It enhances the role of FNAC by alerting the clinician for follow-up and ancillary studies in atypical and equivocal cases. In the non diagnostic L1 category, repeat procedure or biopsy should be recommended to avoid False Negative (FN) diagnosis.

Critical Infrastructure Security Showdown 2021—Online (CISS2021-OL) represented the fifth run of iTrust’s international technology assessment exercise. During this event, researchers and experts from the industry evaluated the performance of technologies designed to detect and mitigate real-time cyber-physical attacks launched against the operational iTrust testbeds and digital twins. Here, we summarize the performance of an anomaly detection mechanism, named AICrit, that was used during the exercise. AICrit utilizes the plant’s design to determine the models to be created using machine learning, and hence is referred to as a “design-enhanced” anomaly detector. The results of the validation in this large-scale exercise reveal that AICrit successfully detected 95.83% of the 27 launched attacks. Our analysis offers valuable insights into AICrit’s efficiency in detecting process anomalies in a water treatment plant under a continuous barrage of cyber-physical attacks.

Melatonin is widely present in Nature. It has pleiotropic activities, in part mediated by interactions with high-affinity G-protein-coupled melatonin type 1 and 2 (MT1 and MT2) receptors or under extreme conditions, e.g., ischemia/reperfusion. In pharmacological concentrations, it is given to counteract the massive damage caused by MT1- and MT2-independent mechanisms. The aryl hydrocarbon receptor (AhR) is a perfect candidate for mediating the latter effects because melatonin has structural similarity to its natural ligands, including tryptophan metabolites and indolic compounds. Using a cell-based Human AhR Reporter Assay System, we demonstrated that melatonin and its indolic and kynuric metabolites act as agonists on the AhR with EC50’s between 10−4 and 10−6 M. This was further validated via the stimulation of the transcriptional activation of the CYP1A1 promoter. Furthermore, melatonin and its metabolites stimulated AhR translocation from the cytoplasm to the nucleus in human keratinocytes, as demonstrated by ImageStream II cytometry and Western blot (WB) analyses of cytoplasmic and nuclear fractions of human keratinocytes. These functional analyses are supported by in silico analyses. We also investigated the peroxisome proliferator-activated receptor (PPAR)γ as a potential target for melatonin and metabolites bioregulation. The binding studies using a TR-TFRET kit to assay the interaction of the ligand with the ligand-binding domain (LBD) of the PPARγ showed agonistic activities of melatonin, 6-hydroxymelatonin and N-acetyl-N-formyl-5-methoxykynuramine with EC50’s in the 10−4 M range showing significantly lower affinities that those of rosiglitazone, e.g., a 10−8 M range. These interactions were substantiated by stimulation of the luciferase activity of the construct containing PPARE by melatonin and its metabolites at 10−4 M. As confirmed by the functional assays, binding mode predictions using a homology model of the AhR and a crystal structure of the PPARγ suggest that melatonin and its metabolites, including 6-hydroxymelatonin, 5-methoxytryptamine and N-acetyl-N-formyl-5-methoxykynuramine, are excellent candidates to act on the AhR and PPARγ with docking scores comparable to their corresponding natural ligands. Melatonin and its metabolites were modeled into the same ligand-binding pockets (LBDs) as their natural ligands. Thus, functional assays supported by molecular modeling have shown that melatonin and its indolic and kynuric metabolites can act as agonists on the AhR and they can interact with the PPARγ at high concentrations. This provides a mechanistic explanation for previously reported cytoprotective actions of melatonin and its metabolites that require high local concentrations of the ligands to reduce cellular damage under elevated oxidative stress conditions. It also identifies these compounds as therapeutic agents to be used at pharmacological doses in the prevention or therapy of skin diseases.

The optimization of the oxide and fluoride content, crystallinity and rare earth ion concentration in oxyfluoride glass ceramics (GCs) are of great importance in obtaining high photoluminescence quantum yield (PLQY) for optical refrigeration applications. Presented herein are the important advancements in the development of a novel oxyfluoride GCS of the composition (SiO2-Al2O3)(100-a) (YLiF4)b: (YbF3)b (a = 35 and 40; in mol %, b = 1 and 2 mol%) with the corresponding parent glasses with an in-depth investigation on enhancing the optical performance for laser cooling. Depending on the oxide/fluoride (O/F) ratio and ytterbium content the internal quantum yield (iQY) varied between 70 and 99% in glass ceramics at several excitation wavelengths. The optical properties of GCs containing YLiF4 and YF3 nanocrystals obtained from the same initial composition (modulated by time and fusion temperature) were compared to find the optimal composition for optical refrigeration. Low fluorine content led to the generation of YLiF4 as a major phase after ceramization and high fluorine content helped in the generation of the YF3 phase. An increase in the radiative lifetime of YF3 GCs compared to YLiF4 GCs has been found to coincide with the enhancement of the PLQY, which is beneficial for laser cooling. The temperature change (ΔT) change measured using a fiber Bragg grating (FBG) in the glass and glass-ceramic samples with different pump wavelengths showed significant heat mitigation near ∼1030 nm. The observed enhanced PL intensity, iQY and lifetime after purification of YLiF4 glasses imply that the purity of the material plays a paramount role in lowering the background absorption and enhancing the quantum yield. Looking ahead, we see a bright future for oxyfluoride GCs in applications requiring the ultimate levels of thermal, mechanical and optical performance, especially for the development of cryocooler devices, which are still technologically challenging and expensive. The usage of GCs will open up new possibilities in optical cooling technology, enabling cooling devices of any size and shape.

Gelatin-based hydrogels are highly desirable biomaterials for use in wound dressing, drug delivery, and extracellular matrix components due to their biocompatibility and biodegradability. However, insufficient and uncontrollable mechanical properties and degradation are the major obstacles to their application in medical materials. Herein, we present a simple but efficient strategy for a novel hydrogel by incorporating the synthetic hydrogel monomer polyethylene glycol diacrylate (PEGDA, offering high mechanical stability) into a biological hydrogel compound (gelatin) to provide stable mechanical properties and biocompatibility at the resulting hybrid hydrogel. In the present work, PEGDA/gelatin hybrid hydrogels were prepared by electron irradiation as a reagent-free crosslinking technology and without using chemical crosslinkers, which carry the risk of releasing toxic byproducts into the material. The viscoelasticity, swelling behavior, thermal stability, and molecular structure of synthesized hybrid hydrogels of different compound ratios and irradiation doses were investigated. Compared with the pure gelatin hydrogel, 21/9 wt./wt. % PEGDA/gelatin hydrogels at 6 kGy exhibited approximately up to 1078% higher storage modulus than a pure gelatin hydrogel, and furthermore, it turned out that the mechanical stability increased with increasing irradiation dose. The chemical structure of the hybrid hydrogels was analyzed by Fourier-transform infrared (FTIR) spectroscopy, and it was confirmed that both compounds, PEGDA and gelatin, were equally present. Scanning electron microscopy images of the samples showed fracture patterns that confirmed the findings of viscoelasticity increasing with gelatin concentration. Infrared microspectroscopy images showed that gelatin and PEGDA polymer fractions were homogeneously mixed and a uniform hybrid material was obtained after electron beam synthesis. In short, this study demonstrates that both the presence of PEGDA improved the material properties of PEGDA/gelatin hybrid hydrogels and the resulting properties are fine-tuned by varying the irradiation dose and PEGDA/gelatin concentration.

We present a framework for estimating concentrations of episodically elevated high-temperature marine ice nucleating particles (INPs) in the sea surface microlayer and their subsequent emission into the atmospheric boundary layer. These episodic INPs have been observed in multiple ship-based and coastal field campaigns, but the processes controlling their ocean concentrations and transfer to the atmosphere are not yet fully understood. We use a combination of empirical constraints and simulation outputs from an Earth system model to explore different hypotheses for explaining the variability of INP concentrations, and the occurrence of episodic INPs, in the marine atmosphere. In our calculations, we examine the following two proposed oceanic sources of high-temperature INPs: heterotrophic bacteria and marine biopolymer aggregates (MBPAs). Furthermore, we assume that the emission of these INPs is determined by the production of supermicron sea spray aerosol formed from jet drops, with an entrainment probability that is described by Poisson statistics. The concentration of jet drops is derived from the number concentration of supermicron sea spray aerosol calculated from model runs. We then derive the resulting number concentrations of marine high-temperature INPs (at 253 K) in the atmospheric boundary layer and compare their variability to atmospheric observations of INP variability. Specifically, we compare against concentrations of episodically occurring high-temperature INPs observed during field campaigns in the Southern Ocean, the Equatorial Pacific, and the North Atlantic. In this case study, we evaluate our framework at 253 K because reliable observational data at this temperature are available across three different ocean regions, but suitable data are sparse at higher temperatures. We find that heterotrophic bacteria and MBPAs acting as INPs provide only a partial explanation for the observed high INP concentrations. We note, however, that there are still substantial knowledge gaps, particularly concerning the identity of the oceanic INPs contributing most frequently to episodic high-temperature INPs, their specific ice nucleation activity, and the enrichment of their concentrations during the sea–air transfer process. Therefore, targeted measurements investigating the composition of these marine INPs and drivers for their emissions are needed, ideally in combination with modeling studies focused on the potential cloud impacts of these high-temperature INPs.

This work reports on the photocatalytic activity of tin oxide (SnO2)-doped magnesium (Mg) and fluorine (F) nanoparticles for methyl orange and safranin dye degradation under sunlight irradiation. Nanocatalysis-induced dye degradation was examined using UV–visible spectroscopy and a pseudo-first-order kinetics model. The results indicate that the prepared nanoparticles exhibit superior photocatalytic activity, and the degradation of methyl orange (MO) dye is approximately 82%. In contrast, the degradation of safranin dye is 96% in the same time interval of 105 min. The calculated crystallite size of the SnO2–Mg–F nanocomposite is 29.5 nm, which respects the particle size found in the DLS analysis with a tetragonal structure and spherical morphology affirmed. The optical characteristics were assessed, and their respective bandgap energies were determined to be 3.6 eV. The influence of F in Mg and SnO2 is recognized with the XRD and FT-IR spectra of the prepared particles.

We reported the photoconduction properties of tungsten disulfide (WS2) nanoflakes obtained by the mechanical exfoliation method. The photocurrent measurements were carried out using a 532 nm laser source with different illumination powers. The results reveal a linear dependence of photocurrent on the excitation power, and the photoresponsivity shows an independent behavior at higher light intensities (400–4000 Wm−2). The WS2 photodetector exhibits superior performance with responsivity in the range of 36–73 AW−1 and a normalized gain in the range of 3.5–7.3 10−6 cm2V−1 at a lower bias voltage of 1 V. The admirable photoresponse at different light intensities suggests that WS2 nanostructures are of potential as a building block for novel optoelectronic device applications.

MnO2 is the most favorable material in power storage due to its technological significance and potential applications in pseudocapacitance (due to various oxidative states allowing efficient charge transfer to meet energy demands), where its properties are considerably influenced by its structure and surface morphology. In the present study, a facile hydrothermal route was used to produce different phases of MnO2 (α, β, and γ) with different morphologies. The electrochemical performance of the synthesized phases was studied in aqueous sodium sulfate as an electrolyte. X-ray diffraction, UV–Vis spectroscopy, and Fourier-transform infrared spectroscopy were used to characterize the synthesized material. The surface morphology and topography were examined using field-emission scanning electron microscopy. The direct band gap of α-, β-, and γ-MnO2 was found to be 1.86 eV, 1.08 eV, and 1.68 eV, lying in the semiconducting range, further enhancing the electrochemical performance. It was found that α-MnO2 had a maximum specific capacitance of 138 F/g at 1 A/g, and the symmetric device fabricated using α-MnO2 had a specific capacitance of 86 F/g at 1 A/g.

Abstract Metal‐free organic molecules with structurally diverse aggregation‐induced emission (AIE) behavior and new functional photophysical properties reveal unique structure–property relationships, especially bright luminescence, and have attracted extensive attention in the past few decades. Despite tremendous progress on fluorescent molecules development, the extended π‐conjugated organic AIE probes with their nanorange self‐assembly, coassembly, unique morphology, high biocompatibility, and light‐harvesting capabilities enable them as potential candidates in numerous translational application perspectives. In particular, a few important classes of AIE light up small molecules, supramolecules, oligomers, polymers, including nanoparticles and photosensitizer molecules, with their emerging properties of thermally activated delayed fluorescence, room temperature phosphorescence, including emission switching stimuli‐responsive behavior and multifunctional properties, have been boosted by the rare features of aggregation at their condensed or solid states. This review highlights salient features of AIE‐based emitters, encompassing molecular design strategies, stimulating photophysical properties, mechanistic aspects, and their efficacy in various electronic and biomedical applications, broadly covering properties of small molecules to oligomers, macromolecules to polymers.

Squeeze casting was used to prepare aluminium alloy-6061/titanium diboride (TiB2) to create a composite with varied TiB2 quantities. The composite's metallographic structure, tensile strength, and hardness have been explored. The tensile strength and hardness of produced metal matrix composites increased when a particle of TiB2 was increased from 5 to 10 vol.%. This study uses electrical discharge machining (EDM) to investigate the output response tool wear rate (TWR). Variables in EDM operation were investigated, such as current, pulse on time, and voltage gap. The experiments were designed using the Box–Behnken strategy. Statistical approaches were used to analyse the experiments. At ideal settings for TiB2 concentrations of 5 and 10 vol.%, TWR was 0.2146 and 0.1749 mm3 min-1 and surface roughness was 2.47 and 3.03 µm, respectively. TiB2 is utilized in automobile disc brakes, an industry where components slide against each other. The alu­minium alloy-6061/titanium diboride has many applications as a biomaterial and is a good prospect.

The hepatic matrisome is involved in the remodeling phase of liver regeneration. As the gut microbiota has been implicated in liver regeneration, we investigated its role in liver regeneration focusing on gene expression of the hepatic matrisome after partial hepatectomy (PHx) in germ-free (GF) mice, and in GF mice reconstituted with normal gut microbiota (XGF). Liver mass restoration, hepatocyte proliferation, and immune response were assessed following 70% PHx. Hepatic matrisome and collagen gene expression were also analyzed. Reduced liver weight/body weight ratio, mitotic count, and hepatocyte proliferative index at 72 h post PHx in GF mice were preceded by reduced expression of cytokine receptor genes Tnfrsf1a and Il6ra, and Hgf gene at 3 h post PHx. In XGF mice, these indices were significantly higher than in GF mice, and similar to that of control mice, indicating normal liver regeneration. Differentially expressed genes (DEGs) of the matrisome were lower in GF compared to XGF mice at both 3 h and 72 h post PHx. GF mice also demonstrated lower collagen expression, with significantly lower expression of Col1a1, Col1a2, Col5a1, and Col6a2 compared to WT mice at 72 h post PHx. In conclusion, enhanced liver regeneration and matrisome expression in XGF mice suggests that interaction of the gut microbiota and matrisome may play a significant role in the regulation of hepatic remodeling during the regenerative process.

Accumulating evidence highlights protein O-GlcNAcylation as a putative pathogenic contributor of diabetic vascular complications. We previously reported that elevated protein O-GlcNAcylation correlates with increased atherosclerotic lesion formation and VSMC proliferation in response to hyperglycemia. However, the role of O-GlcNAc transferase (OGT), regulator of O-GlcNAc signaling, in the evolution of diabetic atherosclerosis remains elusive. The goal of this study was to determine whether smooth muscle OGT (smOGT) plays a direct role in hyperglycemia-induced atherosclerotic lesion formation and SMC de-differentiation. Using tamoxifen-inducible Myh11-CreERT2 and Ogtfl/fl mice, we generated smOGTWT and smOGTKO mice, with and without ApoE-null backgrounds. Following STZ-induced hyperglycemia, smOGTWT and smOGTKO mice were kept on a standard laboratory diet for the study duration. In a parallel study, smOGTWTApoE-/- and smOGTKOApoE-/- were initiated on Western diet at 8-wks-age. Animals harvested at 14–16-wks-age were used for plasma and tissue collection. Loss of smOGT augmented SM contractile marker expression in aortic vessels of STZ-induced hyperglycemic smOGTKO mice. Consistently, smOGT deletion attenuated atherosclerotic lesion lipid burden (Oil red O), plaque area (H&E), leukocyte (CD45) and smooth muscle cell (ACTA2) abundance in Western diet-fed hyperglycemic smOGTKOApoE-/- mice. This was accompanied by increased SM contractile markers and reduced inflammatory and proliferative marker expression. Further, smOGT deletion attenuated YY1 and SRF expression (transcriptional regulators of SM contractile genes) in hyperglycemic smOGTKOApoE-/- and smOGTKO mice. These data uncover an athero-protective outcome of smOGT loss-of-function and suggest a direct regulatory role of OGT-mediated O-GlcNAcylation in VSMC de-differentiation in hyperglycemia.

New NiSn(OH)6 hexahydroxide nanoparticles were synthesised through a co-precipitation method using various concentrations of Ni2+ and Sn4+ ions (e.g., 1:0, 0:1, 1:2, 1:1, and 2:1; namely, N, S, NS-3, NS-2, and NS-1) with an ammonia solution. The perovskite NiSn(OH)6 was confirmed from powder X-ray diffraction and molecule interactions due to different binding environments of Ni, Sn, O, and water molecules observed from an FT-IR analysis. An electronic transition was detected from tin (Sn 3d) and nickel (Ni 2p) to oxygen (O 2p) from UV-Vis/IR spectroscopy. Photo luminescence spectroscopy (PL) identified that the emission observed at 400–800 nm in the visible region was caused by oxygen vacancies due to various oxidation states of Ni and Sn metals. A spherical nanoparticle morphology was observed from FE-SEM; this was due to the combination of Ni2+ and Sn4+ increasing the size and porosity of the nanoparticle. The elemental (Ni and Sn) distribution and binding energy of the nanoparticle were confirmed by EDAX and XPS analyses. Among the prepared various nanoparticles, NS-2 showed a maximum specific capacitance of 607 Fg−1 at 1 Ag−1 and 56% capacitance retention (338 Fg−1 and 5 Ag−1), even when increasing the current density five times, and excellent cycle stability due to combining Ni2+ with Sn4+, which improved the ionic and electrical conductivity. EIS provided evidence for NS-2’s low charge transfer resistance compared with other prepared samples. Moreover, the NS-2//AC (activated carbon) asymmetric supercapacitor exhibited the highest energy density and high-power density along with excellent cycle stability, making it the ideal material for real-time applications.

Diet influences the pathogenesis and clinical course of inflammatory bowel disease (IBD). The Mediterranean diet (MD) is linked to reductions in inflammatory biomarkers and alterations in microbial taxa and metabolites associated with health. We aimed to identify features of the gut microbiome that mediate the relationship between the MD and fecal calprotectin (FCP) in ulcerative colitis (UC). Weighted gene co-expression network analysis (WGCNA) was used to identify modules of co-abundant microbial taxa and metabolites correlated with the MD and FCP. The features considered were gut microbial taxa, serum metabolites, dietary components, short-chain fatty acid and bile acid profiles in participants that experienced an increase (n = 13) or decrease in FCP (n = 16) over eight weeks. WGCNA revealed ten modules containing sixteen key features that acted as key mediators between the MD and FCP. Three taxa (Faecalibacterium prausnitzii, Dorea longicatena, Roseburia inulinivorans) and a cluster of four metabolites (benzyl alcohol, 3-hydroxyphenylacetate, 3-4-hydroxyphenylacetate and phenylacetate) demonstrated a strong mediating effect (ACME: −1.23, p = 0.004). This study identified a novel association between diet, inflammation and the gut microbiome, providing new insights into the underlying mechanisms of how a MD may influence IBD. See clinicaltrials.gov (NCT04474561).