Publications

The synthesis, characterization and photovoltaic performance of series of novel molecular hole transport materials (HTMs) based on bistricyclic aromatic enes (BAEs) are presented. The new derivatives were obtained following a simple and straightforward procedure from inexpensive starting reagents mimicking the synthetically challenging 9,9'-spirobifluorene moiety of the well-studied spiro-OMeTAD. The novel HTMs were tested in mixed cations and anions perovskite solar cells (PSCs) yielding a power conversion efficiency (PCE) of 19.2 % under standard global 100 mW cm^-2 AM1.5G illumination using 9-{2,7-bis[bis(4-methoxyphenyl)amino]-9H-fluoren-9-ylidene}-N² ,N² ,N⁷ ,N⁷ -tetrakis(4-methoxyphenyl)-9H-thioxanthene-2,7-diamine (coded as KR374). The power conversion efficiency data confirms the easily attainable heteromerous fluorenylidenethioxanthene structure as valuable core for low-cost and highly efficient HTM design and paves the way towards cost-effective PSC technology.

Dysphonia is a common term that is usually used to describe abnormalities related to voice quality. The condition might also be referred to as hoarseness of voice. While dysphonia is usually used to describe impaired voice production, hoarseness of voice is used to describe altered voice quality. Laryngeal visualization and early identification of relevant signs and symptoms by the physician and patient are essential to achieving the best quality of care. However, diagnosis and evaluation of the condition are difficult due to challenges in laryngeal visualization and confusion caused by frequent laryngeal lesions. The present literature review extensively discusses the etiology, differential diagnosis, and evaluation of dysphonia. Different etiologies can attribute to this condition, including laryngeal and extra laryngeal disorders. Dysphonia does not usually persist for more than four weeks. However, when it persists beyond this, physicians should promptly evaluate the patient looking for a serious underlying disorder, most likely malignancy. Laryngeal visualization and obtaining a thorough history from the patient are the most recommended steps in evaluating a patient presenting with dysphonia. However, adequate care should also be paid to the development of evaluation-related complications that might further worsen the condition. The process should be evaluated and managed as early as possible to enhance the prognosis and survival rates, especially among patients suffering from laryngeal cancer. Increasing awareness among patients is also recommended to identify the problem and present it for evaluation as early as possible.

Stabilized by a bulky N-heterocyclic carbene [^BP DPr, 1,3-bis(2,6-diisopropylphenyl)-1,3-diazonine-2-ylidene] ligand, new silver carboxylate complexes of the form ^BP DPrAgO₂ C-R (R=Me, Ph) have been synthesized and fully characterized in solution and in the solid state and implemented as sole catalysts (base-, additive-, and, in some cases, solvent-free) in the challenging fixation of carbon dioxide to unsubstituted propargylic derivatives for the synthesis of oxazolidinones and α-methylene cyclic carbonates. Derived from X-ray diffraction studies, the molecular geometry and the concept of buried volume were employed to describe the structural and steric features of these silver complexes. Their stability and efficiency as catalysts have been demonstrated by the synthesis of 29 carboxylation products (72-98 % yield) at low catalyst loadings (0.01-1.5 mol%). Characteristics are high turnover numbers (up to 9400), catalyst recyclability (up to 96 % yield after the 7th cycle with no decomposition of the silver complex), and the possibility to scale-up the reaction.

This work deals with first-principles and in silico studies of graphene oxide-based whole-cell selective aptamers for cancer diagnostics utilising a tunable-surface strategy. Herein, graphene oxide (GO) was constructed as a surface-based model with poly(N-isopropylacrylamide) (PNIPAM) covalently grafted as an "on/off"-switch in triggering interactions with the cancer-cell protein around its lower critical solution temperature. The atomic building blocks of the aptamer and the PNIPAM adsorbed onto the GO was investigated at the density functional theory (DFT) level. The presence of the monomer of PNIPAM stabilised the system's π-π interaction between GO and its nucleobases as confirmed by higher bandgap energy, satisfying the eigenvalues of the single-point energy observed rather than the nucleobase and the GO complex independently. The unaltered geometrical structures of the surface emphasise the physisorption type interaction between the nucleobase and the GO/NIPAM surface. The docking result for the aptamer and the protein, highlighted the behavior of the PNIPAM-graft-GO is exhibiting globular and extended conformations, further supported by molecular dynamics (MD) simulations. These studies enabled a better understanding of the thermal responsive behavior of the polymer-enhanced GO complex for whole-cell protein interactions through computational methods.

Designing of materials for the extraction of organic toxins are the critical factors for environmental remediation.

Additive method is employed for 3D printing ceramic materials over a subtractive conventional method with the help of computer-aided design [CAD]. The different feedstocks are used to print ceramic materials such as slurry, powder and bulk solid. Alumina powder is the most common material and excellent oxide used as a catalyst, adsorbent, aerospace material and microelectronics material. With the help of stereolithography technique, glass ceramics and active glass can be printed.

The cloud point (CP) of a mixture of Tween 80 (Tw 80) and neomycin sulphate (NS) was measured in an aqueous medium containing electrolyte (NaCl, NaNO3, and Na2SO4). The CP of Tw 80 decreased when Tw 80 concentration increased. For various concentrations of Tw 80 (1.53 × 10–2, 3.05 × 10–2, and 6.11 × 10–2 mol.kg-1), CP values of the solution decreased with increasing additions of NS. CP values of NS+Tw 80 mixtures also decreased upon the addition of salts, following the trend: CPNa2SO4 > CPNaNO3 > CPNaCl. Thermodynamic variables including standard-free energy (∆G0c), standard enthalpy (∆H0c), and standard entropy (∆S0c) of clouding as well as thermodynamic properties of transfer during phase transition were also determined. A linear relationship between enthalpy change (∆H0c) and entropy change (∆S0c) with an R2 value of 0.9997–1.00 was obtained for the Tw 80+ NS mixture in aqueous electrolyte media.