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The status of Gloriosa superba L. in the wild has been declining due to over-collection and habitat destruction. Intrinsic severe seed dormancy and low germination rates hinder the cultivation process. To conserve this plant, in vitro culture protocols have been developed to enhance seed germination and seedling growth. An effective sterilization method involving 0.15% mercuric chloride (HgCl2) for 8 min was found to eliminate contamination and yield a 100% survival rate, resulting in disinfested seeds and robust seedling growth. The most successful treatment consisted of Murashige and Skoog (MS) medium with 1.5 mg⋅L-1 GA3 and 1.5 mg⋅L-1 BAP, along with 4% sucrose under a 16-h photoperiod, which achieved the highest average in vitro seed germination (9.25 out of 12 seed explants) and an impressive overall seedling survival rate of 77.08% after 30 d. Subsequent growth of two-week-old seedlings on MS medium with 1.5 mg⋅L-1 BAP and 1.0 mg⋅L-1 NAA supplemented with 30 g⋅L-1 sucrose and a 16-h photoperiod resulted in the greatest average seedling length (5.83 cm) and seedling root length (4.08 cm) after four weeks. Transferring the excised shoots of in vitro-grown seedlings to half-strength MS medium with 1.0 mg⋅L-1 IBA led to maximum root induction (84.37%) and further enhanced root development. These in vitro-grown plantlets were successfully acclimatized and transplanted under field conditions, with a 60% survival rate after 11 weeks. [ABSTRACT FROM AUTHOR]

Topological insulators have emerged as one of the most promising candidates for the fabrication of novel electronic and optoelectronic devices due to the unique properties of nontrivial Dirac cones on the surface and a narrow bandgap in the bulk. In this work, the Sb2Te3 and Bi2Te2Se materials, and their heterostructure are fabricated by metal–organic chemical vapour deposition and evaporation techniques. Photodetection of these materials and their heterostructure shows that they detect light in a broadband range of 600 to 1100 nm with maximum photoresponse of Sb2Te3, Bi2Te2Se and Sb2Te3/Bi2Te2Se at 1100, 1000, and 1000 nm, respectively. The maximum responsivity values of Sb2Te3, Bi2Te2Se, and their heterostructure are 183, 341.8, and 245.9 A W−1 at 1000 nm, respectively. A computational study has also been done using density functional theory (DFT). Using the first-principles methods based on DFT, we have systematically investigated these topological insulators and their heterostructure's electronic and optical properties. The band structures of Sb2Te3 and Bi2Te2Se thin films (3 QL) and their heterostructure are calculated. The bandgaps of Sb2Te3 and Bi2Te2Se are 26.4 and 23 meV, respectively, while the Sb2Te3/Bi2Te2Se heterostructure shows metallic behaviour. For the optical properties, the dielectric function's real and imaginary parts are calculated using DFT and random phase approximation (RPA). It is observed that these topological materials and their heterostructure are light absorbers in a broadband range, with maximum absorption at 1.90, 2.40, and 3.21 eV. [ABSTRACT FROM AUTHOR]

The hydration of phosphate ions, an essential component of many biological molecules, is studied using all-atom molecular dynamics (MD) simulation and quantum chemical methods. MD simulations are carried out by employing a mean-field polarizable water model. A good linear correlation between the self-diffusion coefficient and phosphate anion concentration is ascertained from the computed mean-square displacement (MSD) profiles. The HB dynamics of the hydration of the phosphate anion is evaluated from the time-dependent autocorrelation function CHB(t) and is determined to be slightly faster for the phosphate–anion system as compared to that of the water–water system at room temperature. The coordination number (CN) of the phosphate ion is found to be 15.9 at 298 K with 0.05 M phosphate ion concentration. The average CN is also calculated to be 15.6 for the same system by employing non-equilibrium MD simulation, namely, the well-tempered meta-dynamics method. A full geometry optimization of the PO43−·16H2O cluster is investigated at the ωB97X-D/aug-cc-pVTZ level of theory, and the hydration of the phosphate anion is observed to have both singly and doubly bonded anion–water hydrogen bonds and inter-water hydrogen bonds in a range between 0.169–0.201 nm and 0.192–0.215 nm, respectively. Modified Stokes–Einstein relation is used to calculate the conductivity of the phosphate ion and is found to be in good agreement with the experimentally observed value. [ABSTRACT FROM AUTHOR]

Early detection of Alzheimer's disease (AD) is critical for better healthcare management. Herein, we demonstrate a Surface Enhanced Raman Spectroscopy (SERS) active sensor for highly sensitive and selective detection of β‐Amyloid Peptide (Aβ1‐42), a biomarker of Alzheimer's disease. Polyacrylonitrile (PAN) nanofiber mats, containing purine‐based ligand (L; 0 mg (P1), 50 mg (P2), and 100 mg (P3)) were prepared by electrospinning followed by functionalization with silver nanoparticles (AgNPs). The fabricated SERS sensors were employed for the detection of Rhodamine 6G (Rh‐6G) dye for optimization and the highest sensitivity was achieved on P3/AgNPs SERS sensor. The P3/AgNPs sensor was chosen for the detection of Aβ1‐42 and human Insulin (HI). The limit of detection (LoD) was found to be 76×10−18M and 26×10−18M for Aβ1‐42 and HI, respectively. The sensitivity achieved is one order improved for Aβ1‐42 and four orders for HI when compared with reported values. Also, demonstrated the selectivity of the P3/AgNPs sensor by testing a simulated cerebrospinal fluid (CSF) and achieved easily identifiable peaks of Aβ1‐42 among the noise of HI and bovine serum albumin should be written before the acronym of BSA. This approach could be extended to develop ultra‐sensitive flexible SERS sensors for the facile detection of multiple biomarkers on a single platform with excellent sensitivity, selectivity and stability. [ABSTRACT FROM AUTHOR]

Antimicrobial resistance is a serious public health risk. Its severity is fueled on an unprecedented scale, necessitating the demand for novel antimicrobial scaffolds aimed at novel targets. Herein, we present cationic chlorpromazine peptide conjugates that are rationally intended to targetmultidrug‐resistant (MDR) bacteria. The most potent compound, CPWL, of all the conjugates evaluated, showed promising antibacterial activity against clinical, MDR S. aureus, with no cytotoxicity. The molecular docking experiments confirmed that CPWL possessed a very high affinity for S. aureus enoyl reductase (saFabI). Furthermore, CPWL antibacterial action against saFabI was further corroborated by MD simulation studies. Thus, our findings highlight cationic chlorpromazine as a promising scaffold for the development of saFabI inhibitors to target severe staphylococcal infections. [ABSTRACT FROM AUTHOR]