Investigation of energetic ion-induced mixing in Bi/Ge system

The present study is carried out for the investigation of energetic ion beam mixing in the Bi/Ge system, induced by electronic excitation. The system Ge/Bi/C was deposited on Si substrate at room temperature in the high vacuum deposition system and irradiated using Au ions of 120?MeV at the fluences 1?×?10¹³, 5?×?10¹³ and 1?×?10¹⁴?ions/cm². The top layer of carbon was deposited as the protecting layer to avoid oxidation. The swift heavy ions (SHI)-induced interface mixing was studied by Rutherford backscattering spectroscopy (RBS) for depth profiles and compositions, grazing incidence X-ray diffraction (GIXRD) for phase identification and atomic force microscopy (AFM) for surface roughness. We have calculated the mixing rate, mixing efficiency and inter-diffusion coefficient for the Bi/Ge system. We observed that the thickness of the mixed region increased with increasing fluence. In the GIXRD pattern, no new crystalline phase formation was observed after irradiation, the mixed region may be in an amorphous form. The mixing effect is explained in the framework of the thermal spike model.     

EPR and optical spectra of cupric ions doped in powder strontium maleate tetrahydrate and magnesium Bis (hydrogen maleate) hexahydrate

Abstract

EPR spectra of Cu²⁺ ions doped in a strontium maleate tetrahydrate and magnesium bis (hydrogen maleate) hexahydrate have been studied in X-band at room temperature and at liquid nitrogen temperature. Spin-Hamiltonian parameters have been calculated. Molecular orbital coefficients are obtained by correlating optical absorption data with EPR results.     

Rapid classification of protein structure models using unassigned backbone RDCs and probability density profile analysis (PDPA)

A method of identifying the best structural model for a protein of unknown structure from a list of structural candidates using unassigned 15N1H residual dipolar coupling (RDC) data and probability density profile analysis (PDPA) is described. Ten candidate structures have been obtained for the structural genomics target protein PF2048.1 using ROBETTA. 15N1H residual dipolar couplings have been measured from NMR spectra of the protein in two alignment media and these data have been analyzed using PDPA to rank the models in terms of their ability to represent the actual structure. A number of advantages in using this method to characterize a protein structure become apparent. RDCs can easily and rapidly be acquired, and without the need for assignment, the cost and duration of data acquisition is greatly reduced. The approach is quite robust with respect to imprecise and missing data. In the case of PF2048.1, a 79 residue protein, only 58 and 55 of the total RDC data were observed. The method can accelerate structure determination at higher resolution using traditional NMR spectroscopy by providing a starting point for the addition of NOEs and other NMR structural data.     

Synthesis and Pharmacological Evaluation of 4‐Aryloxyquinazoline Derivatives as Potential Cytotoxic Agents

In the present study, novel 4‐aryloxyquinazoline derivatives were synthesized and screened for in vitro cytotoxicity on human cancer cell lines at 10 μM. Some of the synthesized compounds displayed moderate to significant and selective cytotoxic activity against various leukemia, melanoma, ovarian, breast, and colon cancer cell lines. (E)‐3‐(3,4‐Dimethoxyphenyl)‐1‐(4‐(quinazolin‐4‐yloxy)phenyl)prop‐2‐en‐1‐one ( 9b ) was the most potent compound among all with an average growth inhibition of 70% against leukemia cancer cell lines. The compound also produced strong inhibition (75%) of colon cancer cell lines with 42.58% lethality of HCT‐116 cell line.     

Identification and Directed Development of Non‐Organic Catalysts with Apparent Pan‐Enzymatic Mimicry into Nanozymes for Efficient Prodrug Conversion

Nanozymes, nanoparticles that mimic the natural activity of enzymes, are intriguing academically and are important in the context of the Origin of Life. However, current nanozymes offer mimicry of a narrow range of mammalian enzymes, near‐exclusively performing redox reactions. We present an unexpected discovery of non‐proteinaceous enzymes based on metals, metal oxides, 1D/2D‐materials, and non‐metallic nanomaterials. The specific novelty of these findings lies in the identification of nanozymes with apparent mimicry of diverse mammalian enzymes, including unique pan‐glycosidases. Further novelty lies in the identification of the substrate scope for the lead candidates, specifically in the context of bioconversion of glucuronides, that is, human metabolites and privileged prodrugs in the field of enzyme‐prodrug therapies. Lastly, nanozymes are employed for conversion of glucuronide prodrugs into marketed anti‐inflammatory and antibacterial agents, as well as “nanozyme prodrug therapy” to mediate antibacterial measures.     

Spectroscopic and lasing characterisation of a dicarbazovinylene-MEH-benzene dye

The dye 1,4-bis(9-ethyl-3-carbazovinylene)-2-methoxy-5-(2′-ethyl-hexyloxy)-benzene (abbreviated 2CzV-MEH-B) dissolved in tetrahydrofuran (THF) and as neat film is characterised by optical absorption and emission spectroscopy. The absorption and stimulated emission cross-section spectra, the fluorescence quantum distributions, fluorescence quantum yields, degrees of fluorescence polarisation, and fluorescence lifetimes are determined. A lasing characterisation is carried out by pumping with single second harmonic pulses of a mode-locked ruby laser (wavelength 347.15 nm, pulse duration 35 ps). The excited-state absorption at the pump laser wavelength is determined by saturable absorption measurements. Laser oscillation of the dye in THF in a rectangular cell is achieved by transverse pumping using the uncoated cell windows for light feedback. From the emission behaviour around threshold the excited-state absorption cross-section spectrum in the laser active spectral region is extracted. The wave-guided travelling-wave lasing behaviour of the dye as neat film is studied by analysis of the amplification of the transverse pumped spontaneous emission. Surface emitting distributed-feedback lasing was achieved with a neat film on corrugated second-order periodic gratings.     

Certain fractional calculus and integral transform results of incomplete ℵ-functions with applications

In this paper, we study certain interesting and useful properties of incomplete $\aleph$-functions. The incomplete $\aleph$-function is an extension of the $\aleph$-function. We find several useful classical integral transforms of these functions. Further, we examine the fractional calculus with the incomplete $\aleph$-functions and point out several special cases. Finally, we give the applications of incomplete $\aleph$-functions in detecting glucose supply in human blood.     

Ionic Assembly,Anion–π, Magnetic,and Electronic Attributes of Ambient Stable Naphthalenediimide Radical Ions

Organic spin-based molecular materials are considered to be attractive for the generation of functional materials with emergent optoelectronic, magnetic, or magneto-conductive properties. However, the major limitations to the utilization of organic spin-based systems are their high reactivity, instability, and propensity for dimerization. Herein, we report the synthesis, characterization, and magnetic and electronic studies of three ambient stable radical ions ( 1 a^.+ , 1 b^.+ , and 1 c^.+ ). The radical ions 1 b^.+ and 1 c^.+ with BPh₄⁻ and BF₄⁻ counter anions, respectively, were synthesized in excellent yields by means of anion metathesis of 1 a^.+ with Br⁻ as its counter anion. Notably, synthesis of 1 a^.+ was achieved in an ecofriendly, solvent-free protocol. The radical ions were characterized by means of single-crystal X-ray diffraction studies, which revealed the discrete nature of the radical ions and extensive hydrogen-bonding interactions within the radical ions and with the counter anions. Thus, radical ions can be organized to form infinite supramolecular arrays using weak noncovalent interactions. In addition, the Br⁻, BF₄⁻, and BPh₄⁻ anions formed diverse types of anion–π interactions with the naphthalene and imide rings of the radical ions. The radical ions were characterized by means of X-band electron paramagnetic resonance (EPR) spectroscopy in solution and in the solid state. Magnetic studies revealed their paramagnetic nature in the range of 10 to 300 K. The radical ions exhibited high resistivity approaching the gigaohm (GΩ) scale. In addition, the radical ions exhibited panchromism.     

Core polarization and 5/2+ states in91Nb

The energies and spectroscopic factors ofJ ^π=5/2⁺ states of nucleus⁹¹Nb excited via a reaction transferring a proton to the 2d _5/2 orbit of⁹⁰Zr target state have been calculated. Effective two-body interaction used has been extracted from the experimentally observed two-body energies of (1g ₉ ^2/?1 (n) 2d _5/2(n)), (1g ₉ ^2/?1 (n) 1g _9/2(p)) and (1g _9/2(p)-2d _9/2(n)) multiplets in⁹⁰Zr,⁹⁰Nb and⁹²Nb nuclei respectively. Most of the calculated energies and the strengths ofJ ^π=5/2⁺ levels have reasonably good counterparts in the experimental spectrum, however the calculation shows about 17% strength lying at 6.8 MeV, without having a confirmed counterpart in the observed level scheme. The reduced transition strengthsB(M1) forM l transitions from 5/2^? T>(11/2) state to the various components of 5/2⁺ T<(=9/2) state have also been reported; but the corresponding experimental values are not available. The main feature of the reduced transition strengths is that theM1 transition to the state at 3.69 MeV is inhibited whereas that to the state at 6.79 MeV is enhanced, the relevant core-configuration, interfering destructively in the former case and constructively in the latter.