Search

BACKGROUND: The elastic scattering spectroscopy (ESS) device (DermaSensor Inc., Miami, FL) is a noninvasive, painless, adjunctive tool for skin cancer detection. OBJECTIVES: To investigate the performance of the ESS device in the detection of melanoma. METHODS: A prospective, investigator-blinded, multicenter study was conducted at 8 United States (US) and 2 Australian sites. All eligible skin lesions were clinically concerning for melanoma, examined with the ESS device, subsequently biopsied according to dermatologists standard of care, and evaluated with histopathology. A total of 311 participants with 440 lesions were enrolled, including 44 melanomas (63.6% in situ and 36.4% invasive) and 44 severely dysplastic nevi. RESULTS: The observed sensitivity of the ESS device for melanoma detection was 95.5% (95% CI, 84.5% to 98.8%, 42 of 44 melanomas), and the observed specificity was 32.5% (95% CI, 27.2% to 38.3%). The positive and negative predictive values were 16.0% and 98.1%, respectively. LIMITATIONS: The device was tested in a high-risk population with lesions selected for biopsy based on clinical and dermoscopic assessments of board-certified dermatologists. Most enrolled lesions were pigmented. CONCLUSION: The ESS devices high sensitivity and NPV for the detection of melanoma suggest the device may be a useful adjunctive, point-of-care tool for melanoma detection.

Nano‐sized tridentate transition metal(II) chelates, specifically [M(FONS)Cl] with H‐FONS = ligand and M = Cu(II) (C1), Ni(II) (C2), Pd(II) (C3), and Pt(II) (C4), underwent synthesis and subsequent characterization. The HOMO–LUMO energy gaps (ΔE) were used to create theoretical models for the structure and confirmation barriers in molecular systems for the ligand (H‐FONS) and metal chelates. It was found that the Cu(II), Ni(II), Pd(II), and Pt(II) chelates have lower values for HOMO–LUMO energy gaps (ΔE), indicating that they are more stable than the H‐FONS 1igand.The metal formed four coordinated with the tridentate NOS donor Schiff base to form square‐planar geometry chelates. The results of TEM, EDX, AFM, and x‐ray diffraction calculations for the bivalent metal chelates indicated sharp and intense diffraction peaks, confirming their crystalline nature and nanoscale particle size. The interaction between calf thymus DNA (CT‐DNA) and the chelates was examined utilizing the UV–Vis spectroscopic method, revealing their capacity to bind with CT‐DNA via intercalation mode. Nano‐sized metal(II) chelates show a higher viscous nature than H‐FONS. The cytotoxicity of H‐FONS and its metal(II) chelates in nano form against the liver cancer cell line (HepG2) was evaluated by studying in vitro cell proliferation using the MTT assay. The findings demonstrated that all compounds exhibited anticancer properties, displaying a dose‐dependent response. Our flow cytometry data indicate significant levels of cell cycle arrest in the liver cancer cell line. By molecular docking study, it was found that the Cu(II) chelate (C1) showed the highest and better binding affinity (−8.2 and −8.7 kcal/mol) than other 1igand (H‐FONS) and comp1exes (C2–C4) for the BCL2 and PBP3 proteins central activities. [ABSTRACT FROM AUTHOR]

Three gold(III) nanostructured complexes of nicotinamide (nta), picolinic acid (pica), and isonicotinic acid (inta) were synthesized by the reacted of AuCl3 salt with nta, pica, and inta with 1:2 stoichiometry in the alcoholic medium. The solid products obtained were formulated by comparing experimental and calculated data for microanalytical (C, H, N) and metal. Both produce 1:2 compounds with metal ions. The prepared complexes were characterized by different physico-spectroscopic techniques. The FTIR, and 1H NMR spectral analysis, morphological analysis (scanning electron microscopy SEM, transmittance TEM, and X-ray powder diffraction XRD) of these complexes have been discussed. The conductive behavior of the complexes indicates that all of them behave as electrolytic behavior. The mononuclear gold(III) complexes have formulated as [Au(nta)2(Cl)2].Cl, [Au(pica)2].Cl and [Au(inta)2].Cl. The shifts of the ν(N-H) amino, ν(C=N) pyridine, and ν(C=O) carboxylic stretches have been monitored to find out the donor sites of the ligands. According to the experimental data, the three complexes can be characterized in the solid state as mononuclear, with a four-coordinate stereochemistry. [ABSTRACT FROM AUTHOR]

New remains of a Taymyr mammoth, including bones, bone collagen, hairs, skin, and soft (muscle and fat) tissues were studied comprehensively by mineralogical, spectroscopic, chromatographic, and isotope-geochemical methods. The results were used to infer the mammoth's biological age and diet, paleoclimatic conditions, and the mechanisms and degree of fossilization of the remains. [ABSTRACT FROM AUTHOR]

Molecular interactions and controlled expression of enzymatic activities are fundamental to all cellular functions in an organism. The active polyphenol in turmeric known as curcumin (CCM) is known to exhibit diverse pharmacological activities. Ribonucleases (RNases) are the hydrolytic enzymes that plays important role in ribonucleic acid (RNA) metabolism. Uncontrolled and unwanted cleavage of RNA by RNases may be the cause of cell death leading to disease states. The protein ribonuclease A (RNase A) in the superfamily of RNases cleaves the RNA besides its role in different diseases like autoimmune diseases, and pancreatic disorders. Interaction of CCM with RNase A have been reported along with the possible role of CCM to inhibit the RNase A enzymatic activity. The interaction strength was found to be 104 M−1 order from spectroscopic results. Quenching of RNase A fluorescence by CCM was 104 M−1 order. Non-radiative energy transfer from RNase A (donor) to CCM (acceptor) suggested a distance of 2.42 nm between the donor–acceptor pair. Circular dichroism studies revealed no structural changes in RNase A after binding. Binding-induced conformational variation in protein was observed from synchronous fluorescence studies. Agarose gel electrophoresis revealed a partial inhibition of the RNase A activity by CCM though not significant. Molecular docking and molecular dynamics studies suggested the residues of RNase A involved in the interaction with supporting the experimental finding for the partial inhibition of the enzyme activity. This study may help in designing new CCM analogues or related structures to understand their differential inhibition of the RNase A activity. [ABSTRACT FROM AUTHOR]

This review concerns the growth process, characterization methods, and potential applications of amino acid and chloride derivatives. Derivatives of amino acids are an ideal option for nonlinear device use. Single-crystal, powder-X-ray diffraction, and high resolution-X-ray diffraction (HRXRD) analyses evaluated the crystal structure and crystalline perfection. Most of the chlorides of amino acid compounds were solidified into monoclinic and orthorhombic crystal structures. The FT-IR and NMR methods were deployed to identify the reported compounds' functional groups and molecular identities. The UV and photoluminescence investigations were performed to investigate the optical characteristics of the reported compounds. Bis-glycine hydrogen chloride showed higher second harmonic generation (SHG) abilities. Laser damage threshold (LDT) and Z-scan analyses are briefly discussed. Dielectric spectroscopy was applied to study the dielectric features related to the applied frequency. Thermal investigations revealed that most crystals exhibited significant thermal stability, making them appropriate for device usage. [ABSTRACT FROM AUTHOR]

Background: This study was conducted to assess the usefulness of diffusion weighted imaging and magnetic resonance spectroscopy in diagnosing intracranial peripherally enhancing lesions. Methods: This was a hospital-based observational prospective study conducted among 68 patients with the diagnosis of cerebral ring enhancing lesions at the Department of Radiodiagnosis at Shri B.M. Patil Medical College, Hospital and Research Centre, BLDE (DU), situated at Vijayapura, Karnataka, from September 2022 to April 2024, after obtaining clearance from the institutional ethics committee and written informed consent from the study participants. Results: In the distribution of patients showing different metabolites on MR spectroscopy in various ring enhancing lesions of the brain, NAA was decreased in 50% of patients with metastasis, neurocysticercosis, in 71% of patients with primary brain tumors, and in 52.6% of patients with tuberculoma, and increased in 50% of patients with cerebral abscess. There was a significant difference in NAA change with respect to diagnosis. Cho was increased in 50% of patients with cerebral abscess and metastasis, in 100% of patients with neurocysticercosis and primary brain tumors, and in 78.9% of patients with tuberculomas. There was a significant difference in Cho with respect to the diagnosis. Similarly, Lip-Lac was increased in 100% of patients with cerebral abscess and tuberculoma, 30% of patients with metastasis and primary brain tumors, and 50% of patients with neurocysticercosis. There was a significant difference in lip-lac change with respect to diagnosis. Creatine was decreased in 12.9% of subjects with primary brain tumors and 10.5% of patients with tuberculoma. There was a significant difference in creatine change with respect to diagnosis. Metabolite ratios in various intracranial ring-enhancing lesions: the mean Cho/Cr ratio was high in primary brain tumors [4.3 ± 0.36], followed by metastasis and tuberculoma. The mean Cho/NAA ratio was high in primary brain tumors [1.7 ± 1.3], followed by tuberculoma and metastasis. The mean NAA/Cho ratio was high in cerebral abscess [1.65± 0.06] and low in primary tumors. The mean NAA/Cr ratio was high in cerebral abscess [2.2± 0.06], followed by metastasis. There was a significant difference in the mean Cho/Cr, Cho/NAA ratio, NAA/Cho, and NAA/Cr with respect to diagnosis. Conclusion: MRS is not the only criteria for diagnosing ring enhancing lesions. The combination of MRS and diffusion weighted imaging has yielded synergetic potency in detecting various ring-enhancing lesions, leading to accurate diagnosis and thus helping in management and prognosis. [ABSTRACT FROM AUTHOR]

Stingless bee honeys are appreciated in the world market due to their nutritional and biological properties. In Argentina, the most commercially exploited species of stingless bee is Tetragonisca fiebrigi whose honey is the only one of its kind incorporated into the Argentine Food Code. The value of stingless bee honeys has been increasing in recent years, making them more prone to adulteration. However, there are no methodologies available to perform adequate controls to verify their authenticity. Therefore, the objective of this work was to develop and validate a UV–Vis spectroscopy and chemometric combined methodology to detect and quantify adulterations of Tetragonisca fiebrigi honeys produced in Argentina. The adulterants analyzed included Apis mellifera honey, three commercial sugar syrups (glucose, extra glucose, maltodex40) and three laboratory-formulated sugar syrups (sucrose, fructose and high fructose). The results showed that through principal component analysis it is possible to differentiate pure honey from adulterated honey. Through linear discriminant analysis and partial least squares regression, unknown mixtures could be classified by determining the degree of adulteration and identifying the type of adulterant used. The method allows detecting the addition of up to 64% of Apis mellifera honey, while the maximum amount of detectable added syrup varies between 51 and 70%, depending on the type of syrup. Highlights: The adulteration of stingless bees honeys has increased due to its economic value. The Argentine Food Code does not define methodology for detection. In Argentina, Tetragonisca fiebrigi is the most widespread species of stingless bee. A method was developed to detect and quantify adulterations. The results demonstrate the effectiveness of the method to determine adulteration. [ABSTRACT FROM AUTHOR]

Stellar activity cycles on magnetically active stars can be estimated by molecular absorption bands. We have previously introduced a molecular index which compares absorptional line strength of the T i O λ 567 n m with its nearby continuum has previously been introduced. In this work we use this indicator to evaluation long-term activity variations for Proxima Centauri star, using spectroscopic data from HARPS. The results indicate periodicity with an activity period of 2873 − 53.9 + 47.4 days, which is similar to the previous measurements from other indicators. [ABSTRACT FROM AUTHOR]

For the determination of tin(II) traces, an extractive spectrophotometric approach is devised. The applied method serves a powerful tool for determination of tin(II), involves the formation of yellow colored complex after the binding of 6-bromo-3-hydroxy-2-(5-methylfuran-2-yl)-4H-chromen-4-one (BHMF) and tin(II) in 1:2 stiochiometry in a slightly acidic medium (HCl). The complex shows absorbance at 434 nm with respect of the blank reagent. The outcomes of spectral investigation for complexation showed a Beer's range of 0–1.3 μg Sn mL−1, molar absorptivity, specific absorptivity and Sandell's complex sensitivity are 9.291 × 104 L mol−1 cm−1, 0.490 mL g−1 cm−1 and 0.002040 μg cm−2 at 434 nm that was stable for two days. The interferences study results showed that this method is free from interferences, when tested with metal ions including Ag, Be, Bi, Ca, Cd, Ce, Co, Hg, Mo, Re, Pt, Se,Ti, U, V, W and other common cations, anions, and complexing agents. The applied method is quite simple, highly selective, and sensitive with good re-producibility. This method has been satisfactorily by utilizing the proposed procedure, and its applicability has been tested by analyzing synthetic samples and an alloy sample of gunmetal. The procedure assumes this because of the scarcity of better methods for determining tin(II). The results are in good agreement with the certified value. [ABSTRACT FROM AUTHOR]

This article presents research work on a spectroscopic survey telescope. Our idea is as follows: for such a telescope, a pure reflecting optical system is designed, which should have an aperture and a field of view (FOV) both as large as possible and excellent image quality, and then a strip lensm (lens-prism) atmospheric dispersion corrector (S-ADC) is added, only for correcting the atmospheric dispersion. Given the fund limitation and the simplicity of scaling up, some 12-m telescopes are designed as examples. Su, Korsch, and Meinel put forward the four-mirror Nasmyth systems I and II, which are used in this paper. FOVs of 1.5°, 2°, and 2.5° are selected. For all systems, the image qualities are excellent. Because the S-ADC relaxes the optical glass size restriction, this 12-m telescope with a FOV of 2.5° can be magnified in proportion to a 16-m telescope. Its etendue (from French étendue) and focal surface will now be the largest in the world. In such a telescope, a pure reflecting optical system can also be obtained. A subsequent coudé system is designed with excellent image quality. [ABSTRACT FROM AUTHOR]

AbstractChlorophyll (Chl) is a natural pigment, widely distributed ranging from photosynthetic prokaryotes to higher plants, with an annual yield of up to 1.2 billion tons worldwide. Five types of Chls are observed in nature, that can be distinguished and identified using spectroscopy and mass spectrometry. Chl is also used in the food industry owing to its bioactivities, including obesity prevention, inflammation reduction, viral infection inhibition, anticancer effects, anti-oxidation, and immunostimulatory properties. It has great potential of being applied as a colorant and dietary supplement in the food industry. However, Chl is unstable under various enzymatic, acidic, heat, and light conditions, which limit its application. Although some strategies, such as aggregation with other food components, microencapsulation, and metal cation replacement, have been proposed to overcome these limitations, they are still not enough to facilitate its widespread application. Therefore, stabilization strategies and bioactivities of Chl need to be expected to expand its application in various fields, thereby aiding in the sustainable development of mankind. [ABSTRACT FROM AUTHOR]

RW Aurigae is a young stellar system containing a classical T Tauri star as the primary component. It shows deep, irregular dimmings, first detected in 2010. At the University Observatory Jena, we carried out optical follow‐up observations. We performed multiband (BVRI) photometry of the system with the Cassegrain‐Teleskop‐Kamera II and the Schmidt‐Teleskop‐Kamera between September 2016 and April 2019, as well as spectroscopy, using the Fibre Linked ÉCHelle Astronomical Spectrograph between September 2016 and April 2018. We present the apparent photometry of RW Aur, which is consistent with and complementary to photometric data from the American Association of Variable Star Observers. The V‐band magnitude of RW Aur changed by up to three magnitudes during the timespan of our monitoring campaign. For the observing epochs 2016/2017 and 2017/2018 we report a decreasing brightness, while in the epoch 2018/2019 the system remained in a relatively constant bright state. In the color‐magnitude diagram, we see that RW Aur lies close to a track for grey extinction. The spectra show a decreasing equivalent width (EW) of the Hα$$ \mathrm{H}\alpha $$ emission line for decreasing brightness, whereas the EW of the [OI]$$ \left[\mathrm{O}I\right] $$ line increases, indicating an increased outflow activity during the obscuration. Both give further evidence for the favored theory that the obscurations are caused by a hot dusty wind emerging from the inner disk. [ABSTRACT FROM AUTHOR]

The Chang'E‐5 (CE‐5) lunar mineralogical spectrometer (LMS) obtained an in situ multiangular spectral data set, with which this work aims to study the photometric properties of the lunar surface in the CE‐5 sampling area. We first converted the LMS Level 2B radiance data to reflectance, and then spliced it and processed thermal correction. We also used a millimeter‐scale digital elevation model (DEM) to re‐calculate local illumination and observation conditions considering the high‐resolution topography at the landing site. We analyzed the multiangular reflectance data set with a Hapke modeling approach aimed at characterizing the scattering properties of the surface. In particular, we found that the surface exhibits a spectral signature typical of mafic materials and is close to the mature mare lunar soil. The position of the in situ photometric parameters in the hockey stick diagram indicates that CE‐5 lunar soil particles are forward scattering, irregular and with a low density of internal scatters. Furthermore, we found that all the in situ data (including CE‐3/4/5) and laboratory measurements exhibit forward scattering properties, but the orbiter remote sensing measurements are backward scattering. We attribute this discrepancy to the different resolution of the two data sets: the in situ analysis focuses on the individual particles, whereas remote sensing approach is sensitive to the particle complex. The Hapke parameters we derived can provide a reference for the further comprehensive analysis of remote sensing and in situ spectral data, especially, caution is advised when applying the photometric parameters derived from in situ or laboratory spectra to the remote sensing data. Plain Language Summary: The photometric properties of particles are the external manifestation of their physical properties. The photometric parameters of particles can be retrieved by the reflectance spectra of particles, and then their physical properties can be studied. Currently, scientists have accumulated a wealth of spectral data in the study of the moon, including remote sensing detection, in situ detection, as well as laboratory measurements of lunar samples and simulants. The Chang'E‐5 (CE‐5) mission is China's first lunar sample return task. The lunar mineralogical spectrometer (LMS) onboard CE‐5's lander collected a rare in situ multiangular spectral data set. We used this data set to analyze the photometric properties of the lunar soils at the CE‐5 landing site. We found that the lunar soil particles are forward scattering, which is different from the conclusions induced from remote sensing spectral data. We attribute this discrepancy to the difference in resolution: the remote sensing spectra have a lower resolution (hundreds of meters), and its fundamental scattering unit is different from that of in situ lunar soil particles, but the particle complex composed of these particles. These findings can provide a reference for the further comprehensive analysis of remote sensing and in situ spectral data. Key Points: Thermal and topographic corrections are processed on the in situ multiangular spectral data set obtained by the CE‐5Photometric analysis of the in situ spectra indicates that CE‐5 lunar soil particles are forward scatteringCaution is advised when applying the photometric parameters derived from in situ or laboratory spectra to the remote sensing data [ABSTRACT FROM AUTHOR]

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.

In the present study, a binary biofuel blend was prepared by blending soy methyl ester (SME100) and methyl oleate (MO) SME50-M50 with diesel. The physiochemical properties of blended fuels were also investigated. The performance and emissions characteristics of all fuel blends were estimated using a common-rail direct injection (CRDI) engine. The outcomes demonstrate a reduction in brake-specific fuel consumption (BSFC) when enriched biodiesel is used in comparison to SME100, nonetheless by the virtue of viscosity and heating value there is an increase in the BSFC value when compared to diesel. The average BSFC values were obtained as 5.3% (E25), 10.6% (E50), 17.5% (E75), 30% (SME100) and 14.9% (SME50-M50) higher than that of diesel. BTE was found to be highest for E25 and lowest for SME100 among all the blends. NOx emissions with blended biodiesel were slightly higher than diesel on account of MO being unsaturated, resulting in shorter ignition delay. The average NOx values obtained were higher than that of diesel and the corresponding values are 2.91% (E25), 4.1% (E50), 5.8% (E75), 8.3% (SME100) and 15.8% (SME50-M50). As a result of the increased oxygen content of the fuel, the concentrations of UHC and CO depreciated with the rise in concentration of soy methyl ester and MO (SME50-M50). Currently, Euro 6.2, which is the most recent emission regulation, uses 10% biofuel (B10); however, the results of this study establishes that E25, as an alternate fuel, complies with the contemporary engines without requiring any engine modifications.

Background: Habb-E-Shifa, Hamdard Sualin, and Hamdard Joshanda traditional herbal medicines may promote host resistance against infection by bacteria, viruses, and fungi which are easily accessible at inexpensive with no complexity. These herbal medicines are used to cure sore throat, cough, fever, lung cancer, and asthma patients in developing South Asian countries. These traditional herbal medicines acted a crucial role in the prevention and control of coronavirus disease 2019 (COVID-19). Aims and Objectives: This research article aimed at conducting phytochemistry, antimicrobial activity, COVID-19 docking and some spectroscopic (Infrared, Ultraviolet, 13C-Nuclear Magnetic Resonance (13C-NMR), 1H-NMR, and Mass Spectra) characterizations of the polyherbal drugs were carried out. Additionally, In-vitro and In-silico analyses were performed to measure activity against COVID-19. High Performance - Liquid Chromatography (HPLC), Gas Chromatography - Mass Spectrometry (GC-MS), antimicrobial, and docking studies were carried out. The preliminary phytochemical assay and bioactive compounds were screened using HPLC and GC-MS. The study is an attempt to assess the promising effects of selected polyherbal indigenous drugs such as Habb-E-Shifa, Hamdard Sualin, and Hamdard Joshanda phytoconstituents against the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2). Materials and Methods: The extract of the selected polyherbal formulations showed high-to-moderate preventive effects on the growth inhibition in the pathogenic bacterium, namely Streptococcus oralis, Staphylococcus aureus, Propionibacterium acnes, Pseudomonas aeruginosa, Escherichia coli, and Proteus vulgaris, and three fungal Candida albicans, Aspergillus fumigatus, and Aspergillus niger. Further docking study evaluates the pharmacological activity of bioactive chemical compounds with SARS-CoV-2 NSP5 (PDB ID: 7nxh) and SARS-CoV-2 Omicron spike protein with human angiotensin-converting enzyme 2 (ACE-2) (PDB ID: 7wk6). Results: In this study, for the first time, we attempted to examine some spectroscopic characterization of selected herbals. The total phenol content (1.66, 1.55, and 1.13 mg/mL) and total flavonoid content (4.92, 0.49, and 0.50 mg/mL) were present in the extracted samples of Habb-E-Shifa (H), Hamdard Joshanda (J), and Hamdard Sualin (S). Studies on COVID-19 docking infer the affinity of the herb's chemical components toward COVID-19 protease and ACE-2 receptor by establishing excellent binding capacity in complex formation. The results confirmed that polyherbal drugs harbor biological activities and thereby highlight that these extracts can serve as a remedy for antimicrobial and COVID-19. Conclusions: The research article confirms the remarkable potential in exhibiting antimicrobial activity against Gram-positive, Gram-negative bacteria and fungi. These herbal medicines such as Habb-E-Shifa (H), Hamdard Joshanda (J), and Hamdard Sualin (S) showed a vital role against SARS-CoV-2 Omicron spike protein with human ACE2 (7wk6) and amino acids of SARS-CoV-2 NSP5 (7nxh). Our study provides obvious evidence supporting dietary therapy and herbal medicine as potentially effective against SARS-CoV-2. Based on present studies, these herbal products can be introduced as preventive and therapeutic agents fight against coronavirus.

Due to the novel physicochemical properties of polymeric nanocomposites (PNCs), a remarkable role of PNCs has been accomplished in plenty of flexible optoelectronic applications. Solution cast procedure has been performed to prepare different contents (0.1, 0.5, 1.0, 5.0, and 10 wt%) of Ag1.6Cu0.2S (ACS) incorporated in PVP/PVA blend. Fourier transforms infrared and scanning electron microscope measurements were carried out to investigate the influence of ACS on PVP/PVA structure and morphology. UV–visible spectrophotometry technique was applied to examine PVP/PVA optical properties modifications. Spectroscopic analysis reveals that direct/indirect optical bandgap of PVP/PVA host shrinks from 5.21/4.95 eV (PVP/PVA0) to 4.87/4.54 eV (PVP/PVA10). Moreover, obvious enrichments in the whole linear/nonlinear optical parameters are achieved by ACS doping. For example, refractive index and dielectric constants of PVP/PVA are increased from 1.69 and 2.87 to 1.91 and 3.63 (PVP/PVA10). While two orders of magnetite enhancement in nonlinear third‐order susceptibility are achieved via 10% ACS doping. The electrical performance of ACS PNCs has been explored, which discloses remarkable enrichments in PVP/PVA DC‐electrical conductivity (σDC) and activation energy. The obtained structural, spectroscopic and electrical investigations prove that ACS PNCs could play an efficient role in plenty of optoelectronic applications. Highlights: Solution casting was used to prepare PVP/PVA loaded with Ag/CuS (ACS) NPs.FT‐IR analysis reveals successful incorporation of ACS in PVP/PVA structure.Enrichments in linear/nonlinear optical parameters are achieved by ACS doping.Electrical performance of ACS PNCs has greatly been enhanced.ACS PNCs could play an efficient role in plenty of optoelectronic applications. [ABSTRACT FROM AUTHOR]

A new azo dye was produced by mixing 1-(4-sulfophenyl)-3-methyl-5-pyrazolone with diazonium salt from luminol. The produced dye was assessed using the FT-IR, ¹HNMR, and UV-Visible spectroscopy techniques. This dye was dissolved in five polar solvents, and its UV-visible absorption spectra were measured and spectroscopically analysed at room temperature. Additionally, an atomic force microscope (AFM) was used to measure the enhancement of CO3O4 and ZrO2 nanoparticles in luminol azo 1-(4 -sulfophenyl)-3-methyl-5- pyrazolone solutions in aqueous solution. [ABSTRACT FROM AUTHOR]

A novel series of metal complexes of Co(II), Ni(II), Cu(II), Zn(II) and Pd(II) with 4-((4-isopropoxybenzylidene)amino)-5-methyl-4H-1,2,4-triazole-3-thiol(IBMT) was synthesized and characterized by various physicochemical and spectroscopic techniques. The novel Schiff base (IBMT) was explored using IR, 1H, 13C-NMR and mass spectroscopy. The metal complexes were characterized via FT-IR, proton NMR, elemental analysis, ESR and electronic spectral studies. Magnetic moments and electrochemical behavior (Cyclic Voltammetry) of prepared complexes were also investigated. Thermogravimetric analysis revealed the number of coordinated water molecules and the thermal stability of metal complexes. In addition, various thermodynamic and kinetic parameters were determined using the thermal data. The fluorescence spectra of IBMT and all the coordinated complexes were also explored in different solvents of varying polarity. Based on the analytical and spectroscopic analysis, octahedral (Co, Ni, Zn) and square planner (Cu, Pd) environments were proposed and the novel complexes were formulated as [M(IBMT)(OAc)(H2O)n], M = Co, Ni, Cu, Zn, Pd and n = 1, 3 for 1:1 (M:IBMT) and [M(IBMT)2(H2O)n] n = 0, 2 for 1:2 (M:IBMT). Further, biological evaluation of Schiff base ligand and its complexes was also done against two gram-positive and two gram-negative bacterial strains and three fungal strains (C. Albicans, A. Niger and A. Clavatus). The newly synthesized complexes showed better or comparable antibacterial behavior (MIC = 50–250 μg/mL) than the standard drugs against E. Coli. The synthesized complexes, along with the ligand, were screened for in vitro antimalarial activity using chloroquine as a standard drug. [ABSTRACT FROM AUTHOR]

Potassium aluminium gadolinium phosphate (KAGP) doped with difference contents of Sm3+ ion were synthesized by melt-quenching technique. The samples were further used to measure some physical, optical and luminescence properties. Absorption spectra show the hypersensitive transitions 6H5/2 → 6P3/2 and 6H5/2 → 6F7/2 at the wavelengths 402 and 1233 nm respectively. The photoluminescence spectra were recorded under 401 nm excitation, displayed the emission bands at 562, 597, 644 and 703 nm that corresponding to the transitions 4G5/2 → 6HJ (J = 5/2, 7/2, 9/2, 11/2) respectively, and the concentration quenching of Sm3+ showed at 1.0 mol%. Using the highest concentration of Sm3+ for emission spectra, Judd–Ofelt (J–O) analysis was performed to calculate the various radiative properties such as transition probabilities (AR), radiative lifetimes (τR), branching ratios (βR) and stimulated emission cross-section (σ(λp)) for different excited states. From the results of J–O parameter found to be Ω2 > Ω6 > Ω4 and the highest value of radiative properties was 4G5/2 → 6H7/2 transition. The decay curve for lower concentration was single exponential and became non-exponential for higher concentrations of the 4G5/2 level. According to the chromaticity coordinates (Commission Internationale de l′Eclairage), it indicated that the KAGP glass doped Sm3+ ion at 1.0 mol% lies in orange region. The KAGP glass doped concentration of Sm3+ at 1.0 mol% has potential application in developing the orange laser and suitable for optical device also. [ABSTRACT FROM AUTHOR]

In recent years, the problem of food adulteration has become increasingly rampant, seriously hindering the development of food production, consumption, and management. The common analytical methods used to determine food authenticity present challenges, such as complicated analysis processes and time-consuming procedures, necessitating the development of rapid, efficient analysis technology for food authentication. Spectroscopic techniques, ambient ionization mass spectrometry (AIMS), electronic sensors, and DNA-based technology have gradually been applied for food authentication due to advantages such as rapid analysis and simple operation. This paper summarizes the current research on rapid food authenticity analysis technology from three perspectives, including breeds or species determination, quality fraud detection, and geographical origin identification, and introduces chemometrics method adapted to rapid analysis techniques. It aims to promote the development of rapid analysis technology in the food authenticity field.

The FT-IR and FT-Raman spectra was recorded within the range of 4000 -500 cm−1 and compared with the theoretically obtained spectra. The 13C and 1H NMR chemical shifts have been calculated using the GIAO technique, and the output has been compared with experimental data. The optimized molecular structure and stability analysis of the aztreonam compound have been calculated by the DFT/B3LYP/6–311++G(d,p) level of theory. The molecular electrostatic potential, chemical descriptors, and HOMO-LUMO energies were also calculated. The in silico pharmacological evaluation shows that the title molecule exhibit drug-likeness, and ADMET properties. The ADMET results also indicate that the molecule can be employed in anti-tuberculosis treatments to discover new drugs. Furthermore, molecular docking analyses have been performed to understand the most active binding sites of the compound with the target protein. The molecules are docked with the PknB protein, with free binding energy values of Aztreonam is -7.25 and Mitoxantrone is -6.79 kcal/mol.

Green synthesis of nanoparticles (NPs) has attracted the researcher's attention due to its rapid, cost-effective, sustainable and eco-friendly nature. Current studies were carried out to perform and investigate the green synthesis of NiO NPs with aqueous (NiO(aqueous)) and ethanolic extracts (NiO(ethanolic)) of Acacia nilotica leaves, respectively. The NPs were characterized by spectroscopic, microscopic and thermometric techniques including FTIR, Raman, XRD, SEM, TGA and DSC. The electrochemical properties, antibacterial potential and haemolytic activities of the synthesized NPs were also examined. XRD patterns revealed the face-centred cubic structures of NiO NPs and a high degree of crystallinity. The average crystallite size of NiO(aqueous) NPs was significantly smaller (16 nm) than that of NiO(ethanolic) NPs (28 nm). SEM images show that NiO NPs are spherical. The synthesized NiO NPs demonstrate good electrochemical stability at an operating potential of −0.5-0.5 V. The inhibition effect of NiO NPs(ethanol) against B. subtilis, was comparable to the ciprofloxacin.

The recently discovered Gaia BH1 binary system, a Sun-like star and a dark object (presumably a black hole), may significantly change our understanding of the population of binaries. The paper presents the components mass ratio (q) distributions of binary systems of different observational classes. They all show a significant shortage of low-q systems. In this work, I demonstrate (quantitatively) how our ignorance extends, and point out the importance of discovering and studying systems like Gaia BH1. In addition, an approximate mass–temperature relation and mass ratio–magnitude difference relation for main-sequence stars are presented here. [ABSTRACT FROM AUTHOR]

Oxide glasses are dielectric materials with potential applications in high‐frequency communications; hence, their dielectric properties in the gigahertz to terahertz frequency range should be investigated. In this study, the dielectric properties of silica glass and five single alkali silicate glasses were measured at 0.5–10 THz using terahertz time‐domain spectroscopy and far‐infrared spectroscopic ellipsometry. At 0.5–10 THz, the silica glass exhibited low dielectric dispersion with a low dielectric constant and loss. By contrast, the alkali silicate glasses exhibited high dielectric dispersion, and the dielectric constant and loss were higher than those of the silica glass. The shape of the dielectric dispersion profile depended on the alkali‐metal ions; it was broader for lighter ions such as Li ions and sharper for heavier ions such as Cs ions. The peak dielectric loss shifted toward a lower frequency as the weight of the alkali‐metal ions in the alkali‐silicate glass increased. To understand the dielectric dispersion, the complex permittivity was calculated using molecular dynamics simulations. The theoretical results qualitatively agreed with the experimental data. Ion dynamics analysis revealed that alkali‐metal ions vibrate and migrate under an applied electric field, which affects the dielectric constant and loss of alkali‐silicate glasses at gigahertz to terahertz frequencies. To fabricate filter devices at low temperatures, alkali metals should be added to silicate glass; therefore, a minimum amount of light alkali metals should be used to minimize the dielectric loss of the glass materials while maintaining productivity. [ABSTRACT FROM AUTHOR]

In this study, quantum chemical and spectroscopic techniques were used to investigate (E)-1-(1H-imidazol-1-yl) and (3- (1H-indol-2-yl))prop-2-en-1-one. Density functional theory simulations at the B3LYP/6-31++G(d,p) level of theory were performed to analyse the geometrical characteristics, NLO activity, and frontier molecular orbitals of synthesised substances. Frontier molecular orbitals (FMOs) analysis was done to determine the kinetic stability of the synthesised compound. The dipole moment and initial hyperpolarizabilities of the investigated compounds demonstrate their suitability as potential nonlinear optical materials. Moreover, molecular structure, vibrational assignments, 1H and 13C NMR chemical shift values were also taken and analysed for the titled compound. [ABSTRACT FROM AUTHOR]

The Andromeda Galaxy was surveyed for monochromatic sources by using an objective prism optical telescope. The survey consisted of capturing 150 images of the entire galaxy using exposure times of only 10 to 20 sec, giving optical spectra of every point within the galaxy. The goal was to detect any sources, including transients lasting less than 10 s, that emit a narrow range of wavelengths (<3 nm) inconsistent with known astrophysical emission lines. Two different cameras were employed, having pixel sizes of 11 and 3.7 microns, the latter offering superior cosmic ray discrimination from monochromatic light. The 150 images revealed no monochromatic emission, neither short-lived (under 20 s) nor lasting the 30-minute duration of the sequence of exposures. Injection and recovery of synthetic monochromatic sources verified that lasers could be detected and yielded a detection threshold of 1 photon per second. At the Andromeda Galaxy, that detection threshold corresponds to a laser having a power of roughly 100 Terawatts for a benchmark 10-meter laser launcher that is diffraction-limited. Any lasers more powerful and directed toward Earth would have been detected. None were found. [ABSTRACT FROM AUTHOR]

Purpose High-contrast tissue characterization of thermal ablation has been desired to evaluate therapeutic outcomes accurately. This paper presents a photoacoustic (PA) characterization of thermal tissue ablation in the visible spectrum, in which higher light absorbance can produce spectral contrast starker than in the near-infrared range. Methods Ex vivo experiments were performed to measure visible PA spectra (480–700 nm) from fresh porcine liver tissues that received a thermal dose in a range of cumulative equivalent minutes at 43°C (CEM43). The local hemoglobin lobe area between 510–600 nm and whole-spectral area under the curve were evaluated to represent the transition of hemoglobin into methemoglobin (MetHb) in the target tissue. Results The thermal process below an estimated therapeutic CEM43 threshold (80–340 minutes) presented a progressive elevation of the PA spectrum and an eventual loss of local hemoglobin peaks in the visible spectrum, closer to the MetHb spectrum. Interestingly, an excessive CEM43 produced a substantial drop in the PA spectrum. In the spectral analysis, the visible spectrum yielded 13.9–34.1 times higher PA sensitivity and 1.42 times higher contrast change than at a near-infrared wavelength. Conclusion This novel method of PA tissue characterization in the visible spectrum could be a potential modality to evaluate various thermal therapeutic modalities at high-contrast resolution.

Five novel bright orange color emitting Sm(III) complexes (C1-C5) have been synthesized via energy efficient and cost effective solution precipitation method with 5-phenyl 2-furoic acid as primary organic sensitizer and nitrogen donor neocuproine, 2, 2- bipyridyl, bathophenanthroline, and 1,10-phenanthroline as secondary ligands. All the newly synthesized metal complexes are thoroughly characterize to examine the appropriateness of the organic ligand for the sensitization process. All the outcomes of the various advanced and fundamental spectroscopic techniques validate the bonding of carboxylate group with the Sm(III) ion. The luminescence spectra reflects the dominance of magnetic dipole transition which designate the occurrence of harmonized chemical environment in the coordination sphere which is further validated by enhanced values of intensity ratio. These complexes possess suitable thermal stability with excellent photoluminescent features as confirmed by thermogravimetric analysis and photoluminescence studies. The luminescence lifetime of samarium complexes [C2-C5] is relatively long due to the synergistic effect presented by ancillary ligands. The emission color of the synthesized complexes show shift from orange to bright orange red color which is displayed through CIE color coordinates. [ABSTRACT FROM AUTHOR]

In the present paper, we performed the optical, astrometric and spectroscopic studies for the open star cluster NGC 6475 using Gaia DR3 data. Using the radial density profile, we estimated the radius of the cluster to be equal to 1.44°. It is located at a distance of 279 ± 17 pc and has a service life of 224 ± 26 Myr. The mean proper motions in RA are 268.50 ± 0.80 mas yr−1 and in DEC, they are −34.83 ± 0.70 mas yr−1. Using spectroscopic radial velocity data of Gaia DR3, the median radial velocity is −14.47 ± 1.92 km s−1. We determined the physical parameters (Teff, log g and V sin i) for 11 possible members of the B-type stars in the open cluster NGC 6475, using the Barbier–Chalonge–Divan (BCD) spectrophotometry system. We also determined the projected rotational velocity of the stars by matching them with the theoretical LTE model and located our studied stars over the HR diagram. From the 11 studied B-type stars, we found six members from them. [ABSTRACT FROM AUTHOR]

Previous studies pointed out that many observed samples of short-period binaries display a cut-off period, P cut, such that almost all binaries with periods shorter than P cut have circular orbits. This feature is probably due to long-term circularization processes induced by tidal interaction between the two stars of each binary. It seemed as if coeval main-sequence (MS) samples of open clusters display P cut that depends on the sample age. Using the unprecedentedly large sample of MS spectroscopic orbits recently released by Gaia , we have found that the P cut does not depend on the stellar age but, instead, varies with stellar temperature, decreasing linearly from 6.5 d at T eff ∼ 5700 K to ∼2.5 d at 6800 K. P cut was derived by a new algorithm that relied on clear upper envelopes displayed in the period-eccentricity diagrams. Our P cut determines both the border between the circular and eccentric binaries and the location of the upper envelope. The results are inconsistent with the theory, which assumes circularization occurs during the stellar MS phase, a theory that was adopted by many studies. The circularization has probably taken place at the pre-main-sequence phase, as suggested already in 1989 by Zahn and Bouchet, and later by Khaluillin and Khaluillina in 2011. Our results suggest that the weak dependence of P cut on the cluster age is not significant, and/or might be due to the different temperatures of the samples. If indeed true, this has far-reaching implications for the theory of binary and exoplanet circularization, synchronization, and alignment. [ABSTRACT FROM AUTHOR]

The presence of minerals formed under the occurrence of liquid water during the first billion years on Mars was a key discovery, but there is still a large number of open issues that make the study of these mineral deposits a main focus of remote sensing and laboratory studies. Moreover, even though there is extensive research related to the study of the spectral behavior of mixtures, we still lack a full understanding of the problem. The main goal of this work is the analysis of the detection limits of hydrated and carbonate phases within mixtures with basaltic-like fine regolith in the spectral region 1.0–5.5 µm (1818–10,000 cm−1). We selected two different basalt samples and mixed them with two carbonate phases: a dolomite and a calcite. Spectral features have been investigated isolating the main carbonate absorption features and overtones; deriving trends of spectral parameters such as band depth, band area, full-width-half-maximum; percentage and grain size variations. The results obtained in this work show how the presence of a basaltic component can strongly influence the appearance of the hydrated and carbonate features showing different trends and intensities depending on the grain size and percentage of the carbonate components. [ABSTRACT FROM AUTHOR]

Recent development in remote sensing technology using hyperspectral reflectance or spectroscopic data has enabled rapid and ongoing progression of monitoring, mapping, and surveillance for detection of disease and improved crop management. This study describes a spectroscopy-based methodology to escalate the efficiency of present surveillance practices for detection of disease infestation viz., Alternaria blight in mustard crop. The methodology uses ground-based hyperspectral data across the spectral bands 350-2500 nm at 1 nm intervals. Two different statistical procedures such as sensitivity analysis (correlation between reflectance, 1st and 2nd derivatives with disease severity grades) and continuum removal analysis was implemented for selection of sensitive bands. In this method, we explore the combinations of different selected sensitive spectral bands and regions to separate the disease affected mustard crops from the healthy ones. The objectives of this research is to develop a novel methodology for selection of bands sensitive to Alternaria blight affected crops. The development of such methodology will provide a reliable and stable method for researchers, and remote sensing practitioners to achieve faster technique with higher accuracy to map Alternaria blight affected crops. [ABSTRACT FROM AUTHOR]

Edible mushrooms are healthy food with high nutritional value, which is popular with consumers. With the increase of the problem of mushrooms being confused with the real and pollution in the market, people pay more and more attention to food safety. More than 167 articles of edible mushroom published in the past 20 years were reviewed in this paper. The analysis tools and data analysis methods of identification and quality evaluation of edible mushroom species, origin, mineral elements were reviewed. Five techniques for identification and evaluation of edible mushrooms were introduced and summarized. The macroscopic, microscopic and molecular identification techniques can be used to identify species. Chromatography, spectroscopy technology combined with chemometrics can be used for qualitative and quantitative study of mushroom and evaluation of mushroom quality. In addition, multiple supervised pattern-recognition techniques have good classification ability. Deep learning is more and more widely used in edible mushroom, which shows its advantages in image recognition and prediction. These techniques and analytical methods can provide strong support and guarantee for the identification and evaluation of mushroom, which is of great significance to the development and utilization of edible mushroom. [ABSTRACT FROM AUTHOR]

Azithromycin (AZI) has poor aqueous solubility and very low bioavailability. In this study, two nonionic polymeric surfactants, namely Pluronic L-35, and Pluronic P-123, and their binary micelle was used for entrapment of drug AZI. The drug-encapsulated micelles were characterized by UV-spectrophotometry, FTIR, Cloud point, Partition coefficient, and antibacterial studies. We observed improved solubilization of the drug AZI in the binary micellar formulation than in their single micellar systems. The FTIR studies inferred that there is a stable, strong bond formation of the drug AZI with the binary micelle. The partition coefficient values too pointed towards higher solubility of drug AZI in mixed micellar systems as compared to single micellar systems. The free energy of micellization ∆Gomic as determined from the partition coefficient displayed negative values for all three systems indicating spontaneous binding between the drug AZI with the polymeric micellar systems. The highest negative value (-3192.6 kJ/mol) for AZI in the binary system compared to AZI-L-35 (-1620.3 kJ/mol) and AZI-P-123 (-2752.8 kJ/mol) concludes that the drug AZI is better partitioned in the binary micellar system than in the two single micellar solutions. This study can be considered as a potential solubilizing medium for the drug AZI. This is probably the first report of AZI in binary micellar solution.

Changbai jade is a type of jade ore with good economic value that is found in the tuff of the Upper Triassic Changbai Formation of the Mesozoic period in Jilin Province, China. However, the mineral composition of the kaolinite group in Changbai Jade has not been definitively identified, and there has been a lack of systematic mineralogical and spectral analysis. To analyze the mineralogical and spectroscopic characteristics of Changbai jade, this study utilized several modern testing methods, including X-ray fluorescence spectrometry (XRF), X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectrometry (EDS), Fourier transform infrared absorption spectroscopy (FTIR), Raman spectrum test (Raman), and Ultraviolet visible (UV-vis). Mineralogical and spectroscopic analyses were conducted on Changbai jade ore samples CB21 and CB22. The results indicated that the main metamorphic minerals of the two samples are dickite and the color-causing factor of the yellow part is pyrite. This research provides basic theoretical research data for jade processing technology and the geological origin of Changbai jade.

Recent development in remote sensing technology using hyperspectral reflectance or spectroscopic data was enabled the rapid and ongoing progression of monitoring, mapping, and surveillance/detection of insects tools for better crop management. This study describes a spectroscopic based methodology to escalation the efficiency of present surveillance practices (insect traps and human examinations) for detection pest infestation (e.g., Alternaria blight in mustard crop). The methodology uses ground based hyperspectral data across the spectral bands 350-2500nm at 1 nm interval. Three different statistical procedures such as correlation (between reflectance, 1st and 2nd derivatives with diseased severity grades), continuum removal analysis was implemented for selection of sensitive bands. In this method, we explore the combinations of different selected sensitive spectral bands and regions to separate diseased crops. The objectives of this research is to develop a novel methodology for selection of sensitive bands to Alternaria blight diseased crops. The development of such methodology would provide researchers, Agronomist, and remote sensing practitioners reliable and stable method to achieve faster technique with higher accuracy to mapping of Alternaria blight diseased crops.

Two novel macrocyclic complexes of Cr (III) and Fe (III) were synthesized by template methodology leading to the formation of a complex of type [MLX]X2.yH2O where L is a macrocyclic ligand obtained from Hydrazinecarbothioamide and 2-Sulfanylidene-1,3-diazinane-4,6-dione and X = NO3−y = 2 for Cr(III) and 3 for Fe(III) complexes. The newly prepared complexes were spectroscopically and physicochemically analysed by various techniques like IR, ESI–MS, EPR, CHN, UV–visible, PXRD, magnetic moment, TGA and molar conductance measurements. Antioxidant studies were performed for both metal complexes. In addition to these, compounds were successfully also screened for their biological efficacies against a few pathogenic strains of bacteria and fungi. [ABSTRACT FROM AUTHOR]