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Tomato bacterial spots, caused by Xanthomonas campestris pv. vesicatoria (Xcv1) and X. euvesicatoria (Xe2), as well as bacterial specks, caused by two strains of Pseudomonas syringae pv. tomato (Pst1 and Pst2), represent significant threats to tomato production in the El-Sharkia governorate, often resulting in substantial yield losses. The objective of this study was to evaluate the efficacy of various biocontrol culture filtrates, including bacteria and fungi agents, in managing the occurrence and severity of these diseases, while also monitoring physiological changes in tomato leaves, including antioxidant enzymes, phenolics, and pigment content. The culture filtrates from examined Trichoderma species (T. viride, T. harzianum, and T. album), as well as the tested bacteria (Bacillus subtilis, Pseudomonas fluorescens, and Serratia marcescens) at concentrations of 25%, 50%, and 100%, significantly inhibited the proliferation of pathogenic bacteria In vitro. For the In vivo experiments, we used specific doses of 5 mL of spore suspension per plant for the fungal bioagents at a concentration of 2.5 × 107 spores/mL. The bacterial bioagents were applied as a 10 mL suspension per plant at a concentration of 1 × 108 CFU/mL. Spraying the culture filtrates of the tested bioagents two days before infection In vivo significantly reduced disease incidence and severity. Trichoderma viride exhibited the highest efficacy among the fungal bioagents, followed by T. harzianum and T. album. Meanwhile, the culture filtrate of B. subtilis emerged as the most potent among the bacterial bioagents, followed by P. fluorescens. Furthermore, applying these culture filtrates resulted in elevated levels of chitinase, peroxidase, and polyphenol oxidase activity. This effect extended to increased phenol contents, as well as chlorophyll a, chlorophyll b, and carotenoids in sprayed tomato plants compared to the control treatment. Overall, these findings underscore the potential of these biocontrol strategies to effectively mitigate disease incidence and severity while enhancing plant defense mechanisms and physiological parameters, thus offering promising avenues for sustainable disease management in tomato production.

The time fractional Schrödinger equation contributes to our understanding of complex quantum systems, anomalous diffusion processes, and the application of fractional calculus in physics and cubic B-spline is a versatile tool in numerical analysis and computer graphics. This paper introduces a numerical method for solving the time fractional Schrödinger equation using B-spline functions and the Atangana-Baleanu fractional derivative. The proposed method employs a finite difference scheme to discretize the fractional derivative in time, while a θ-weighted scheme is used to discretize the space directions. The efficiency of the method is demonstrated through numerical results, and error norms are examined at various values of the non-integer parameter, temporal directions, and spatial directions.

The aim of the present study is to identify multiple soliton solutions to the nonlinear coupled Broer-Kaup-Kupershmidt (BKK) system, including beta, conformable, local-fractional, and M-truncated derivatives. The coupled Broer-Kaup-Kupershmidt system is employed for modelling nonlinear wave evolution in mathematical models of fluid dynamics, plasmic, optical, dispersive, and nonlinear long-gravity waves. The travelling wave solutions to the above model are found using the Unified and generalised Bernoulli sub-ODE techniques. By modifying certain parameter values, we may create bright soliton, squeezed bell-shaped wave, expanded v-shaped soliton, W-shaped wave, singular soliton, and periodic solutions. The four distinct kinds of derivatives are compared quite effectively using 2D line graphs. Also, contour plots and 3D graphics are given by using Mathematica 10. Lastly, any pair of propagating wave solutions has symmetrical geometrical forms.

Three-dimensional (3D) bioprinting is one of the most promising methodologies that are currently in development for the replacement of animal experiments. Bioprinting and most alternative technologies rely on animal-derived materials, which compromises the intent of animal welfare and results in the generation of chimeric systems of limited value. The current study therefore presents the first bioprinted liver model that is entirely void of animal-derived constituents. Initially, HuH-7 cells underwent adaptation to a chemically defined medium (CDM). The adapted cells exhibited high survival rates (85–92%) after cryopreservation in chemically defined freezing media, comparable to those preserved in standard medium (86–92%). Xeno-free bioink for 3D bioprinting yielded liver models with high relative cell viability (97–101%), akin to a Matrigel-based liver model (83–102%) after 15 days of culture. The established xeno-free model was used for toxicity testing of a marine biotoxin, okadaic acid (OA). In 2D culture, OA toxicity was virtually identical for cells cultured under standard conditions and in CDM. In the xeno-free bioprinted liver model, 3-fold higher concentrations of OA than in the respective monolayer culture were needed to induce cytotoxicity. In conclusion, this study describes for the first time the development of a xeno-free 3D bioprinted liver model and its applicability for research purposes.

Phosphorus (P) availability in soil is paradoxical, with a significant portion of applied P accumulating in the soil, potentially affecting plant production. The impact of biochar (BR) and fishpond sediments (FPS) as fertilizers on P fixation remains unclear. This study aimed to determine the optimal ratio of BR, modified biochar (MBR), and FPS as fertilizer replacements. A pot experiment with maize evaluated the transformation of P into inorganic (Pi) and organic (Po) fractions and their contribution to P uptake. Different percentages of FPS, BR, and MBR were applied as treatments (T1–T7), T1 [(0.0)], T2 [FPS (25.0%)], T3 [FPS (25.0%) + BR (1%)], T [FPS (25%) +MBR (3%)], T5 [FPS (35%)], T6 [FPS (35%) +BR (1%)], and T7 [FPS (35%) + MBR (1%)]. Using the modified Hedley method and the Tiessen and Moir fractionation scheme, P fractions were determined. Results showed that various rates of MBR, BR, and FPS significantly increased labile and moderately labile P fractions (NaHCO3-Pi, NaHCO3-Po, HClD-Pi, and HClC-Pi) and residual P fractions compared with the control (T1). Positive correlations were observed between P uptake, phosphatase enzyme activity, and NaHCO3-Pi. Maximum P uptake and phosphatase activity were observed in T6 and T7 treatments. The addition of BR, MBR, and FPS increased Po fractions. Unlike the decline in NaOH-Po fraction, NaHCO3-Po and HClc-Po fractions increased. All Pi fractions, particularly apatite (HClD-Pi), increased across the T1–T7 treatments. HClD-Pi was the largest contributor to total P (40.7%) and can convert into accessible P over time. The T5 treatment showed a 0.88% rise in residual P. HClD-Pi and residual P fractions positively correlated with P uptake, phosphatase activity, NaOH-Pi, and NaOH-Po moderately available fractions. Regression analysis revealed that higher concentrations of metals such as Ca, Zn, and Cr significantly decreased labile organic and inorganic P fractions (NaHCO3-Pi, R2 = 0.13, 0.36, 0.09) and their availability (NaHCO3-Po, R2 = 0.01, 0.03, 0.25). Excessive solo BR amendments did not consistently increase P availability, but optimal simple and MBR increased residual P contents in moderately labile and labile forms (including NaOH-Pi, NaHCO3-Pi, and HClD-Pi). Overall, our findings suggest that the co-addition of BR and FPS can enhance soil P availability via increasing the activity of phosphatase enzyme, thereby enhancing plant P uptake and use efficiency, which eventually maintains the provision of ecosystem functions and services.

Polymorphism is a prevalent occurrence in pharmaceutical solids and demands thorough investigation during product development. This paper delves into the crystal growth and structure of a newly synthesized polymorph (TPT)2[CoII(NCS)4], (1), where TPT is triphenyl tetrazolium. The study combines experimental and theoretical approaches to elucidate the 3D framework of the crystal structure, characterized by hydrogen-bonded interactions between (TPT)+ cations and [Co(NCS)4]2− anions. Hirshfeld surface analysis, along with associated two-dimensional fingerprints, is employed to comprehensively investigate and quantify intermolecular interactions within the structure. The enrichment ratio is calculated for non-covalent contacts, providing insight into their propensity to influence crystal packing interactions. Void analysis is conducted to predict the mechanical behavior of the compound. Utilizing Bravais-Friedel, Donnay-Harker (BFDH), and growth morphology (GM) techniques, the external morphology of (TPT)2[CoII(NCS)4] is predicted. Experimental observations align well with BFDH predictions, with slight deviations from the GM model. Quantum computational calculations of the synthesized compounds is performed in the ground state using the DFT/UB3LYP level of theory. These calculations assess the molecule’s stability and chemical reactivity, including the computation of the HOMO-LUMO energy difference and other chemical descriptors. The study provides a comprehensive exploration of the newly synthesized polymorph, shedding light on its crystal structure, intermolecular interactions, mechanical behavior, and external morphology, supported by both experimental and computational analyses.

The treatment of N-Phenylmorpholine-4-carbothioamide (HPMCT) with bivalent metal ions in a 2:1 mol ratio without a base present affords [MCl2(κ1S-HPMCT)2] {M = Cu(1), Pd(2), Pt(3), and Hg(4)} in a good yield. Furthermore, the reaction of two equivalents of HPMCT and one equivalent of bivalent metal ions in the presence of Et3N has afforded [M(κ2S,N-PMCT)2] {M = Ni(5), Cu(6), Pd(7), Pt(8), Zn(9), Cd(10), and Hg(11)}. Infrared, 1H, 13C Nuclear Magnetic Resonance molar conductivity, and elemental analysis were used to characterize the synthesized complexes. The results suggest that HPMCT is bonded as monodentate via an S atom in Complexes (1–4), whereas linkage as a bidentate chelating ligand via S and N atoms gives two chelate rings. Moreover, the synthesized ligand and the complexes were screened for antibacterial activity, which displayed that the very best antibacterial activities for Complexes (1), (6), and (3). In addition, the cytotoxic activity of the HPMCT ligand, [PdCl2(HPMCT)2] (2), and [PtCl2(HPMCT)2] (3) were screened on breast cancer cell lines (MCF-7), and Complex (3) reveals the most promising activity with an IC50 value 12.72 ± 0.4 μM. Using the B3LYP method and 6-311++G(d,p) basis sets for the ligand and the SDD basis set for the central metal, the synthesized complexes utilizing the prepared ligand were optimized. Various quantum parameters such as hardness, electron affinity, dipole moment, vibrational frequencies, and ionization energy for the ligand and its complexes have been calculated. In general, a favorable agreement was found between the experimental results and the obtained theoretical results.

Sugar beet productivity is highly constrained by the root-knot nematode (RKN) Meloidogyne incognita. Eight sugar beet genotypes were screened under greenhouse conditions for their susceptibility to M. incognita according to an adapted quantitative scheme for assignment Canto-Saenz’s host suitability (resistance) designations (AQSCS). Besides, the degree of susceptibility or tolerance of the examined genotypes was recorded by the modified host-parasite index (MHPI) scale based on yield performance. In addition, single nucleotide polymorphism (SNP) was also determined. Sugar beet genotypes have been classified into four categories for their susceptibility or tolerance according to the AQSCS scale. The first category, the moderately resistant (MR) group implies only one variety named SVH 2015, which did not support nematode reproduction (RF≤1), and had less root damage (GI≈2). Second, the tolerant group (T) involving Lilly and Halawa KWS supported fairly high nematode reproduction (RF>1) with relatively plant damage (GI≤2). Whereas the susceptible (S) category involved four varieties, FARIDA, Lammia KWS, Polat, and Capella, which supported nematode reproduction factor (RF>1) with high plant damage (GI>2). The fourth category refers to the highly susceptible (HYS) varieties such as Natura KWS that showed (RF≤1) and very high plant damage (GI>2). However, the MHPI scale showed that Lammia KWS variety was shifted from the (S) category to the (T) category. Results revealed significant differences among genotypes regarding disease severity, yield production, and quality traits. The SVH 2015 variety exhibited the lowest disease index values concerning population density with 800/250 cm3 soils, RF=2, root damage/gall index (GI=1.8), gall size (GS=2.3), gall area (GA=3.7), damage index (DI=3.4), susceptibility rate (SR=2.4), and MHP index (MHPI=2.5). However, Lammia KWS showed the highest disease index values regarding population density with 8890/250 cm3 soils, RF= 22.2, GI= 4.8, and SR= 14.1. Meanwhile, Natura KWS the highest GS, GA and MHPI with 7.1, 8 and 20.9, respectively. The lowest DI was achieved by Capella (DI= 6) followed by Lammia KWS (DI= 5.9). For yield production, and quality traits, SVH 2015 exhibited the lowest reductions of sugar yields/beet's root with 11.1%. While Natura KWS had the highest reduction with 79.3%, as well as it showed the highest reduction in quality traits; including sucrose, T.S.S, and purity with 65, 27.3, and 51.9%, respectively. The amino acid alignment and prediction of the DNA sequences revealed the presence of five SNPs among all sugar beet verities.

Simple Summary: Tomato bacterial spots and specks, caused by various strains of Xanthomonas campestris and Pseudomonas syringae, lead to significant yield losses in the El-Sharkia governorate. This study tested the efficacy of biocontrol culture filtrates from Trichoderma fungi (T. viride, T. harzianum, T. album) and bacterial agents (Bacillus subtilis, Pseudomonas fluorescens, Serratia marcescens) in controlling these diseases. In vitro, the culture filtrates significantly inhibited pathogenic bacterial growth. In vivo, spraying bioagents prior to infection reduced disease incidence and severity. T. viride was the most effective fungal bioagent, while B. subtilis was the top bacterial bioagent. Tomato plants that were treated with bioagents also had more phenols and chlorophyll than control plants. They also had more enzyme activity, including chitinase, peroxidase, and polyphenol oxidase. These findings suggest that biocontrol strategies could be a sustainable solution for managing tomato diseases and improving plant defense. Tomato bacterial spots, caused by Xanthomonas campestris pv. vesicatoria (Xcv1) and X. euvesicatoria (Xe2), as well as bacterial specks, caused by two strains of Pseudomonas syringae pv. tomato (Pst1 and Pst2), represent significant threats to tomato production in the El-Sharkia governorate, often resulting in substantial yield losses. The objective of this study was to evaluate the efficacy of various biocontrol culture filtrates, including bacteria and fungi agents, in managing the occurrence and severity of these diseases, while also monitoring physiological changes in tomato leaves, including antioxidant enzymes, phenolics, and pigment content. The culture filtrates from examined Trichoderma species (T. viride, T. harzianum, and T. album), as well as the tested bacteria (Bacillus subtilis, Pseudomonas fluorescens, and Serratia marcescens) at concentrations of 25%, 50%, and 100%, significantly inhibited the proliferation of pathogenic bacteria In vitro. For the In vivo experiments, we used specific doses of 5 mL of spore suspension per plant for the fungal bioagents at a concentration of 2.5 × 107 spores/mL. The bacterial bioagents were applied as a 10 mL suspension per plant at a concentration of 1 × 108 CFU/mL. Spraying the culture filtrates of the tested bioagents two days before infection In vivo significantly reduced disease incidence and severity. Trichoderma viride exhibited the highest efficacy among the fungal bioagents, followed by T. harzianum and T. album. Meanwhile, the culture filtrate of B. subtilis emerged as the most potent among the bacterial bioagents, followed by P. fluorescens. Furthermore, applying these culture filtrates resulted in elevated levels of chitinase, peroxidase, and polyphenol oxidase activity. This effect extended to increased phenol contents, as well as chlorophyll a, chlorophyll b, and carotenoids in sprayed tomato plants compared to the control treatment. Overall, these findings underscore the potential of these biocontrol strategies to effectively mitigate disease incidence and severity while enhancing plant defense mechanisms and physiological parameters, thus offering promising avenues for sustainable disease management in tomato production. [ABSTRACT FROM AUTHOR]

The time fractional Schrödinger equation contributes to our understanding of complex quantum systems, anomalous diffusion processes, and the application of fractional calculus in physics and cubic B-spline is a versatile tool in numerical analysis and computer graphics. This paper introduces a numerical method for solving the time fractional Schrödinger equation using B-spline functions and the Atangana-Baleanu fractional derivative. The proposed method employs a finite difference scheme to discretize the fractional derivative in time, while a θ-weighted scheme is used to discretize the space directions. The efficiency of the method is demonstrated through numerical results, and error norms are examined at various values of the non-integer parameter, temporal directions, and spatial directions. [ABSTRACT FROM AUTHOR]

Tomato is a globally important fruit crop, which is easily susceptible to infection by plant-parasitic nematodes during growth. In this study, selenium nanoparticles were biosynthesized through the selenite reduction pathway in a wild-type Pseudomonas stutzeri BB19 and were characterized by uniform nanostructured needle-like forms with an average size of 95.2 nm. The nematicidal effect of biosynthesized selenium nanoparticles (BioSeNPs) at different concentrations (2, 6, and 10 ppm) during the pre- or post-infection of tomato root-knot nematode (RKN), Meloidogyne incognita, was assessed under greenhouse conditions. The BioSeNPs were applied as a foliar spray or a soil drench, compared to ethoprophos nematicide (100 mL/pot). The results showed that the ethoprophos nematicide significantly reduced the number of galls, egg mass, and eggs/egg mass of M. incognita by 94.2, 92.8, and 49.8%, respectively. BioSeNPs, as foliar sprays, significantly reduced the number of galls in post-treated infected tomato plants at 10 ppm and in pre-treated infected tomato plants at 2 ppm by 91.9 and 91.4%, respectively. Concerning the egg mass, BioSeNPs significantly reduced it in pre-treated infected tomato plants at 2 ppm as a foliar spray by 90.9%. Moreover, BioSeNPs significantly reduced the eggs/egg mass in pre-treated infected tomato plants at 2 ppm as a soil drench by 43.3%. On the other hand, the BioSeNPs considerably improved tomato growth, chlorophyll a and b, carotenoid content, and enzymes (i.e., catalase and peroxidase) activity compared to untreated infected tomato plants (negative control). Hence, the BioSeNPs show a significant application potential as a cost-effective and environmentally friendly biocontrol agent for RKN management in tomato plants.

Mixed ligand complexes of Pd(II) and Cd(II) with N-picolyl-amine dithiocarbamate (PAC-dtc) as primary ligand and tertiary phosphine ligand as secondary ligands have been synthesized and characterized via elemental analysis, molar conductance, NMR (1H and 31P), and IR techniques. The PAC-dtc ligand displayed in a monodentate fashion via sulfur atom whereas diphosphine ligands coordinated as a bidentate mode to afford a square planner around the Pd(II) ion or tetrahedral around the Cd(II) ion. Except for complexes [Cd(PAC-dtc)2(dppe)] and [Cd(PAC-dtc)2(PPh3)2], the prepared complexes showed significant antimicrobial activity when evaluated against Staphylococcus aureus, Pseudomonas aeruginosa, Candida albicans and Aspergillus niger. Moreover, DFT calculations were performed to investigate three complexes {[Pd(PAC-dtc)2(dppe)](1), [Cd(PAC-dtc)2(dppe)](2), [Cd(PAC-dtc)2(PPh3)2](7)}, and their quantum parameters were evaluated using the Gaussian 09 program at the B3LYP/Lanl2dz theoretical level. The optimized structures of the three complexes were square planar and tetrahedral geometry. The calculated bond lengths and bond angles showed a slightly distorted tetrahedral geometry for [Cd(PAC-dtc)2(dppe)](2) compared to [Cd(PAC-dtc)2(PPh3)2](7) due to the ring constrain in the dppe ligand. Moreover, the [Pd(PAC-dtc)2(dppe)](1) complex showed higher stability compared to Cd(2) and Cd(7) complexes which can be attributed to the higher back-donation of Pd(1) complex.

The reaction between [PtCl2(L-L)] (L-L = dppe, dppp, dppb, dppf, Phen and Bipy) or [PtCl2(PPh3)2] with 1-benzyl-3-phenylthiourea (H2BPT) in a basic medium (CHCl3/EtOH) created new coordinated square planner Pt(II) complexes with [Pt(BPT)(L-L)] (1–4,6,7) and [Pt(BPT)(PPh3)2] (5) types. These complexes were fully characterized by analytical and spectroscopic techniques (i.e., IR, UV. Vis., 1H, and 31P NMR). The results indicated that the thiourea derivative ligand act as a dianion ligand bonded through both S and N atoms in a chelating mode or as a mono-anion ligand coordinated through a sulfur atom with Pt(II) ion. Cytotoxicity activity was performed by the MTT assay to determine anti-cancer activities against MCF-7 breast cancer cells. The study indicated that IC50 values for MCF-7 cells were 10.96–78.90 µM. Additionally, the complexes [Pt(BPT)(dppe)] (1), [Pt(BPT)(PPh3)2] (5), and [Pt(BPT)2(Bipy)] (7) were investigated theoretically, where their quantum parameters were evaluated using the Gaussian 09 program using the theory of B3LYP/Def2TZVP//B3LYP/Lanl2dz. The calculation results confirmed the optimized structures of the complexes square planar geometry. However, the calculated bond lengths and angles showed a slightly distorted square planar geometry due to the trans influence of the sulfur atom. Additionally, complexes of [Pt(BPT)(dppe)] (1) and [Pt(BPT)(PPh3)2] (5) showed higher stability compared to [Pt(BPT)2(Bipy)] (7), which can be attributed to the higher back-donation of (1) and (5) complexes. Furthermore, among the three complexes, the [Pt(BPT)2(Bipy)] (7) complex possessed the lowest HOMO–LUMO gap, which may be a good candidate as the photo-catalyst material.

Polyamines (PAs) are plant growth regulators that attenuate the destructive impacts of water deficit on sesame plants, particularly in arid regions under abrupt climate change. Limited information is available on the physiological, biochemical, anatomical, and agronomic responses of sesame to exogenous application of PAs under water deficit under field conditions. Thus, a two-season field trial was carried out to assess the impact of exogenously sprayed spermine (Spm), spermidine (Spd), and putrescine (Put) on physio-biochemical and anatomical parameters and their influences on agronomic performance and crop water productivity of sesame plants. The sesame plants were assessed under three irrigation regimes; full irrigation (100% ETc), mild drought (75% ETc), and severe drought (50% ETc) conditions. Drought stress displayed negative impacts on all evaluated parameters. However, exogenously applied Pas, especially Put, restricted the destructive effects of water deficit. The application of PAs exhibited highly significant enhancement in photosynthetic pigments (chlorophyll a, b, and carotenoids), gas exchange (net photosynthetic rate, stomatal conductance, and rate of transpiration), water relations (relative water content, membrane stability index, excised leaf water retention), and plant nutrient content (N, P, and K) compared to untreated plants, particularly under severe drought stress. Moreover, PA application displayed highly significant amelioration in osmoprotectants (free proline, soluble sugars, α-Tocopherol, ascorbate, and glutathione), and antioxidant enzyme activities (catalase, peroxidase, superoxide dismutase, ascorbate peroxidase, and glutathione reductase). In addition, foliar nourishing with PAs exhibited a highly significant reduction in oxidative stress markers (malondialdehyde, electrolyte leakage, superoxide, and hydrogen peroxide). These positive impacts of PA application under drought stress were reflected in highly significant improvement in anatomical characteristics (midrib length and width, vascular bundle length and width, thickness of phloem, xylem and collenchyma, vessel diameter, and number of xylem rows in midvein bundle), and yield-related traits (plant height, leaf area, number of capsules per plant, 1000-seed weight, seed yield, and oil content). Consequently, exogenous application of PAs (in particular, Put) could be exploited to enhance the crop water productivity and yield traits of sesame plants under low water availability in arid regions.

The study of modified nonlinear Schrödinger equation plays a significant role in the description of wave propagation through optical waveguides and rogue waves in ocean. The main aim of this work is to obtain solitons as well as other types of exact wave solutions to the modified nonlinear Schrödinger equation. The accurate traveling wave solutions are obtained using the (exp (− χ (ε))) -exponential expansion method and the modified auxiliary equation method. Consequently, soliton solutions and periodic wave solutions have been retrieved. The graphical illustrations of the results are provided for suitable values of the parameters involved in the solutions to explain the dynamical nature of the considered equation. [ABSTRACT FROM AUTHOR]

This paper explores a dual inhibition of main protease (Mpro) and nonstructural protein 10/nonstructural protein 16 (NSP16) methyltransferase complex as the key targets for COVID-19 therapy. These are based on the new Schiff-base ligand that was obtained from the condensation of (4-chloro-3-methyl phenyl) hydrazine with 2-pyridine-carboxaldehyde and its novel Schiff-base metal complexes. These include Ni(II), Pd(II), Pt(II), Zn(II), and Hg(II). The newly synthesized compounds have been characterized using FT-IR, 1H NMR, 13C NMR, and elemental analysis. The results suggested that the Schiff-base ligand is coordinated as a bidentate ligand through the nitrogen atoms of the azomethine group and pyridyl ring. In addition, the biological activity of the prepared complexes was examined against Pseudomonas aeruginosa and Staphylococcus aureus, and the results showed that the Zn(II) complex has the highest activity compared with other compounds. The active sites were found by looking at the molecular electrostatic potential (MEP) maps of the above ligands and complexes. The activity of the compound and its Ni(II) and Zn(II) complexes against Mpro and NSP10/ NSP16 was investigated using a molecular docking approach. They showed excellent binding energies ranging from −5.9 to −7.2 kcal/mol and −5.8 to −7.2 for Mpro and NSP16, respectively. All conformers of the metal complexes were docked with the active site of the NSP16 receptor, showing a binding affinity of 100%. According to our knowledge, this was the first report of these metal complexes as dual inhibitors for Mpro and NSP16 of SARS-CoV-2.

Ten mixed‐ligand phenyl mercury(II) complexes containing 1‐methyl‐1H‐tetrazole‐5‐thiol (HmtzS) (1) and phosphine or amine ligands. These complexes fall into two groups: [PhHg(mtzS){Ph2P(CH2)PPh2}]2 (2) and [PhHg(mtzS){Ph2P(CH2)nPPh2}] (3‐6), where n varies, and [PhHg(mtzS)(diamine)] (8‐10), with diamine choices being 2,2′‐bipyridyl (Bipy, 8), 1,10‐phenathroline (Phen, 9), or ethylenediamine (en, 10). These complexes were synthesized with moderate to high yields and characterized using various techniques. Characterization data revealed that the mtzS− ligand coordinates as a monodentate ligand through the thiolate sulfur atom in all complexes, adopting a tetrahedral geometry around the Hg(II) center. Furthermore, complexes [PhHg(mtzS)] (1) and its diamine derivatives (8‐10) were assessed for hydrogen storage at 77 K using the VTI method. Results demonstrated that the incorporation of diamines improves hydrogen storage capacity at low pressure. The precursor stored (1) 2.3 wt.% at 80 bar, while the other complexes showed storage capacities ranging from 2.9 to 3.86 wt.% at pressures of 45‐60 bar. Thermodynamic properties of the [PhHg(mtzS)(Bipy)] complex was calculated at three different temperatures. The results prove that the entropy was equal to 0.50543599 J/mol H2. K while the enthalpy equal to 0.0942638 KJ/(mol H2). [ABSTRACT FROM AUTHOR]

Introduction: Despite the availability of highly efficacious treatments for decades, tuberculosis remains a major public health issue worldwide. In 2017, WHO reported that 10.0 million people developed TB, mainly in developing countries, and that approximately 3.6 million (36%) were not diagnosed or notified to the national authorities. The most widely used method for TB diagnosis is sputum smear microscopy. This test is simple, rapid, and inexpensive but has a relatively low sensitivity, particularly in patients with extrapulmonary TB, children, and in people with HIV. Hence, the development of new diagnostic tools suitable for use in low- and middle-income countries is one of the top priorities for TB control. Materials and Methods: A Prospective study conducted from January 2023- December 2023 (12 months) in the Department of Respiratory Medicine, Gayatri Vidya Parishad Institute of Health Care and Medical Technology, Visakhapatnam). Sputum samples collected from all patients suspected to have pulmonary tuberculosis due to Mycobacterium tuberculosis complex. Samples were collected from those patients who fulfilled the following clinical criteria. Data were analysed using SPSS to determine specificity and sensitivity of LAMP in comparison to culture for detection of Mycobacterium Tuberculosis. The sputum specimens that full filled the criteria were included in this study. Around 50 sputum samples were collected and processed. Results: Hundred sputum samples which were fitted into the criteria were processed. 50 sputum samples male patients 65%, and the remaining 35% were obtained from female patient. It shows majority of presumptive pulmonary tuberculosis patients were males. Among the 50 sputum samples that were received in the laboratory, maximum number of 15 patients fall under the age group 51-60 years, followed by 13 patients in 61-70 years and 9 patients between 41-50 years. Least incidence was seen under the extreme age groups less than 10 years, and greater than 81 years. Conclusion: The sensitivity and specificity of LAMP and Gene Xpert MTB/RIF were almost equal in our study. In comparison to LAMP, Gene Xpert MTB/RIF machine and its consumables (cartridge) are very expensive. Moreover Gene Xpert MTB/RIF requires air conditioning; fluctuation in temperature adversely affects its performance, so it is not feasible to implement in peripheral health centres. LAMP is cost effective (50% lesser cost than Xpert), less time consuming (1.5 hour, faster than Xpert), requires minimal amount of sputum and is not adversely affected by temperature fluctuation, making it ideal for use in peripheral poor resource health centres. [ABSTRACT FROM AUTHOR]

Three-dimensional (3D) bioprinting is one of the most promising methodologies that are currently in development for the replacement of animal experiments. Bioprinting and most alternative technologies rely on animal-derived materials, which compromises the intent of animal welfare and results in the generation of chimeric systems of limited value. The current study therefore presents the first bioprinted liver model that is entirely void of animal-derived constituents. Initially, HuH-7 cells underwent adaptation to a chemically defined medium (CDM). The adapted cells exhibited high survival rates (85–92%) after cryopreservation in chemically defined freezing media, comparable to those preserved in standard medium (86–92%). Xeno-free bioink for 3D bioprinting yielded liver models with high relative cell viability (97–101%), akin to a Matrigel-based liver model (83–102%) after 15 days of culture. The established xeno-free model was used for toxicity testing of a marine biotoxin, okadaic acid (OA). In 2D culture, OA toxicity was virtually identical for cells cultured under standard conditions and in CDM. In the xeno-free bioprinted liver model, 3-fold higher concentrations of OA than in the respective monolayer culture were needed to induce cytotoxicity. In conclusion, this study describes for the first time the development of a xeno-free 3D bioprinted liver model and its applicability for research purposes. [ABSTRACT FROM AUTHOR]

Introduction: The global strategy for the diagnosis, management, and prevention of chronic obstructive pulmonary disease (COPD) defines COPD as a typical preventable and treatable disease. Described by a diligent wind current limit is typically progressive and associated with an improved chronic provocative reaction, in the airways and the lung, to harmful particles or gases. Materials and Methods: It was a prospective observational study carried out at a tertiary care centre to evaluate the prevalence of anemia in patients with COPD and its impact on quality of life. The duration of study was one year. Anemia was defined according to WHO criteria, hemoglobin level <13g/dl in men and <12g/dl in women. 114 patients of COPD (confirmed on spirometry as per the GOLD 2017 guidelines) were enrolled after an explicit, written consent. Patient's detailed history was taken, including smoking status, pack year and biomass fuel exposure. Physical examination was conducted to include anthropometric details, routine blood investigations, chest radiograph (postero-anterior view) and a 6 minute walk test. Results: Out of 114 patients enrolled in the study, 30 (26.32%) were found to be anemic and were classified as group I while rest 84(73.68%) were non - anemic and were classified as group II. The mean hemoglobin levels in group I (anemic group) was 11.42 g/dl whereas the mean hemoglobin level in group II was 14.54 g/dl. However there was no significant difference between those with and without anemia in their average age, gender distribution, dietary habits and pack years smoked. Conclusion: The various factors significantly associated with anemia in our study were number of exacerbations of COPD leading to hospitalization, mMRC grade and quality of life. In conclusion, anemia occurs frequently in patients of COPD and is associated with poor quality of life and increased morbidity in the form of number of exacerbations and hospital admissions. Correcting anemia in these patients may improve their clinical outcome. [ABSTRACT FROM AUTHOR]

In this paper, we introduce the inverse exponentiated Lomax power series (IELoPS) class of distributions, obtained by compounding the inverse exponentiated Lomax and power series distributions. The IELoPS class contains some significant new flexible lifetime distributions that possess powerful physical explications applied in areas like industrial and biological studies. The IELoPS class comprises the inverse Lomax power series as a new subclass as well as several new flexible compounded lifetime distributions. For the proposed class, some characteristics and properties are derived such as hazard rate function, limiting behavior, quantile function, Lorenz and Bonferroni curves, mean residual life, mean inactivity time, and some measures of information. The methods of maximum likelihood and Bayesian estimations are used to estimate the model parameters of one optional model. The Bayesian estimators of parameters are discussed under squared error and linear exponential loss functions. The asymptotic confidence intervals, as well as Bayesian credible intervals, of parameters, are constructed. Simulations for a one-selective model, say inverse exponentiated Lomax Poisson (IELoP) distribution, are designed to assess and compare different estimates. Results of the study emphasized the merit of produced estimates. In addition, they appeared the superiority of Bayesian estimate under regarded priors compared to the corresponding maximum likelihood estimate. Finally, we examine medical and reliability data to demonstrate the applicability, flexibility, and usefulness of IELoP distribution. For the suggested two real data sets, the IELoP distribution fits better than Kumaraswamy–Weibull, Poisson–Lomax, Poisson inverse Lomax, Weibull–Lomax, Gumbel–Lomax, odd Burr–Weibull–Poisson, and power Lomax–Poisson distributions.

Abstract Background Thiazoles, thiazolidinones and azetidinones are highly ranked amongst natural and synthetic heterocyclic derivatives due to their great pharmaceutical potential. Results New thiazolidinone and azetidinone class of bioactive agents based on 4-(2,7-dichloro-9H-fluoren-4-yl)thiazole moiety have been successfully synthesized. 4-(2,7-dichloro-9H-fluoren-4-yl)thiazol-2-amine was synthesized and allowed to react with various aryl/heteroaryl aldehydes to afford the corresponding Schiff base intermediates. The target thiazolidinone and azetidinone analogues have derived from Schiff bases by their reactions with thioglycolic acid and chloroacetyl chloride, respectively. The newly synthesized compounds were then evaluated for their antimicrobial activity against some multidrug resistant strains and examined for cytotoxic activity against normal lung fibroblast (WI-38), human lung carcinoma (A549), and human breast carcinoma (MDA-MB-231) cell lines to develop a novel class of fluorene-based bioactive agents. The mode of action and the binding interaction of the synthesized compound with the active sites of dihydrofolate reductase enzyme were well identified by fluorescence-activated cell sorting (FACS) analysis and molecular docking study. Conclusion Some of the synthesized compounds showed remarkable activity against A-549 and MDA-MB-231 when compared to Taxol, which was used as a reference drug. 2,7-dichloro-9H-fluorene-based azetidinones are more efficient as antimicrobial and anticancer agents compared to dichloro-9H-fluorene-based thiazolidinones derivatives.

Numerous fields, including the physical sciences, social sciences, and earth sciences, benefit greatly from the application of fractional calculus (FC). The fractional-order derivative is developed from the integer-order derivative, and in recent years, real-world modeling has performed better using the fractional-order derivative. Due to the flexibility of B-spline functions and their capability for very accurate estimation of fractional equations, they have been employed as a solution interpolating polynomials for the solution of fractional partial differential equations (FPDEs). In this study, cubic B-spline (CBS) basis functions with new approximations are utilized for numerical solution of third-order fractional differential equation. Initially, the CBS functions and finite difference scheme are applied to discretize the spatial and Caputo time fractional derivatives, respectively. The scheme is convergent numerically and theoretically as well as being unconditionally stable. On a variety of problems, the validity of the proposed technique is assessed, and the numerical results are contrasted with those reported in the literature.

Various chitosan (CS)-based nanoparticles (CS-NPs) of ciprofloxacin hydrochloride (CHCl) have been investigated for therapeutic delivery and to enhance antimicrobial efficacy. However, the Box–Behnken design (BBD)-supported statistical optimization of NPs of CHCl has not been performed in the literature. As a result, the goal of this study was to look into the key interactions and quadratic impacts of formulation variables on the performance of CHCl-CS-NPs in a systematic way. To optimize CHCl-loaded CS-NPs generated by the ionic gelation process, the response surface methodology (RSM) was used. The BBD was used with three factors on three levels and three replicas at the central point. Tripolyphosphate, CS concentrations, and ultrasonication energy were chosen as independent variables after preliminary screening. Particle size (PS), polydispersity index (PDI), zeta potential (ZP), encapsulation efficiency (EE), and in vitro release were the dependent factors (responses). Prepared NPs were found in the PS range of 198–304 nm with a ZP of 27–42 mV. EE and drug release were in the range of 23–45% and 36–61%, respectively. All of the responses were optimized at the same time using a desirability function based on Design Expert® modeling and a desirability factor of 95%. The minimum inhibitory concentration (MIC) of the improved formula against two bacterial strains, Pseudomonas aeruginosa and Staphylococcus aureus, was determined. The MIC of the optimized NPs was found to be decreased 4-fold compared with pure CHCl. The predicted and observed values for the optimized formulation were nearly identical. The BBD aided in a better understanding of the intrinsic relationship between formulation variables and responses, as well as the optimization of CHCl-loaded CS-NPs in a time- and labor-efficient manner.