Delineating incoherent non-Markovian dynamics using quantum coherence

We introduce a method of characterization of non-Markovianity using coherence of a system interacting with the environment. We show that under the allowed incoherent operations, monotonicity of a valid coherence measure is affected due to non-Markovian features of the system–environment evolution. We also define a measure to quantify non-Markovianity of the underlying dynamics based on the non-monotonic behavior of the coherence measure. We investigate our proposed non-Markovianity marker in the behavior of dephasing and dissipative dynamics for one and two qubit cases. We also show that our proposed measure captures the back-flow of information from the environment to the system and compatible with well known distinguishability criteria of non-Markovianity.     

Synthesis of chiral oxa- and azacycle-fused anthraquinone derivatives

A convenient protocol for the synthesis of chiral pyran and piperidine ring-fused anthraquinone derivatives has been developed from (R)-2,3-O-cyclohexylidene-glyceraldehyde using sequential applications of enyne metathesis, Diels–Alder reaction and aromatization as key steps.     

Inexpensive Hole‐Transporting Materials Derived from Tröger's Base Afford Efficient and Stable Perovskite Solar Cells

The synthesis of three enamine hole‐transporting materials (HTMs) based on Tröger's base scaffold are reported. These compounds are obtained in a three‐step facile synthesis from commercially available materials without the need of expensive catalysts, inert conditions or time‐consuming purification steps. The best performing material, HTM3, demonstrated 18.62 % PCE in PSCs, rivaling spiro‐OMeTAD in efficiency, and showing markedly superior long‐term stability in non‐encapsulated devices. In dopant‐free PSCs, HTM3 outperformed spiro‐OMeTAD by a factror of 1.6. The high glass‐transition temperature (T_g=176 °C) of HTM3 also suggests promising perspectives in device applications.     

Complementary routes to both enantiomers of pipecolic acid and 4,5-dihydroxypipecolic acid derivatives

Complementary new routes to both enantiomers of N-protected pipecolic acid and the corresponding 4,5-dihydroxylated derivatives are developed, which involve stereo-divergent allylation of a chiral N-allylimine and ring-closing metathesis as key steps.     

Palladium(II) complexes of dithiocarbamic acids: synthesis, characterization, crystal structure and DNA binding study

A series of distorted square planar palladium(II) complexes with dithiocarbamic acids of general formula [Pd(L)₂], where L = 4-methylpiperazine-l-carbodithioic acid anion, morpholine-4-carbodithioic acid anion or 4-benzylpiperidine-l-carbodithioic acid anion for complexes 1a, 1b and 1c, respectively, have been synthesized. The complexes were characterized by physicochemical and spectroscopic methods; in addition, the structure of complex 1a was characterized by single crystal X-ray crystallography. The interaction of these palladium complexes with CT-DNA was investigated with the help of absorption and emission spectroscopy. The association constant K _b was deduced from the absorption spectra, while the number of binding sites and the binding constant were calculated from the fluorescence quenching data. The results suggest an intercalative interaction of the complexes with CT-DNA.     

Zinc(II) complexes of 1,3-bis(2-pyridylmethylthio)propane: Anion dependency, crystal structure and DNA binding study

Zinc(II) complexes of the formula [Zn(L)(X)₂] (where X = Cl⁻, N₃⁻, NCO⁻ and SCN⁻ (1a-d, respectively)) and {[Zn(L)(ClO₄)(H₂O)](ClO₄)}_n (2), were isolated in the pure form on the reaction of 1,3-bis(2-pyridylmethylthio)propane (L) with different zinc(II) salts. All the complexes were characterized by physicochemical and spectroscopic tools. The X-ray crystallographic analyses of the complexes 1d and 2 showed that the former is mononuclear while complex 2 is a 1D coordination polymer, {[Zn(L)(ClO₄)(H₂O)](ClO₄)}_n, due to a different coordination mode of the tetradentate ligand L. The zinc(II) ions present an octahedral coordination geometry in both compounds, which is more distorted in the mononuclear complex 1d. The study indicates that the counter anion of the zinc(II) salt used as reactant leads to a different type of complex when isolated as a crystalline material. A spectroscopic study of the interaction of complex, 2 with calf thymus-DNA (CT-DNA) in Tris-HCl buffer showed a significant non-intercalative interaction with a binding constant (K_b) of 4.7 × 10⁴ M⁻¹, and the linear Stern-Volmer quenching constant (K_sv) and the binding sites (n) were found to be 1.3 × 10³ and 0.92 respectively, calculated from ethidium bromide (EB) fluorescence displacement experiments.     

A water soluble Al(3+) selective colorimetric and fluorescent turn-on chemosensor and its application in living cell imaging

An efficient water soluble fluorescent Al(3+) receptor, 1-[[(2-furanylmethyl)imino]methyl]-2-naphthol (1-H) was synthesized and characterized by physico-chemical and spectroscopic tools along with single crystal X-ray crystallography. High selectivity and affinity of 1-H towards Al(3+) in HEPES buffer (DMSO/water: 1/100) of pH 7.4 at 25 °C showed it to be suitable for detection of intracellular Al(3+) by fluorescence microscopy. Metal ions, viz. alkali (Na(+), K(+)), alkaline earth (Mg(2+), Ca(2+)), and transition-metal ions (Ni(2+), Zn(2+), Cd(2+), Co(2+), Cu(2+), Fe(3+), Cr(3+/6+), Hg(2+)) and Pb(2+), Ag(+) did not interfere. The lowest detection limit for Al(3+) was calculated to be 6.03 × 10(-7) M in 100 mM HEPES buffer (DMSO/water: 1/100). Theoretical calculations have also been included in support of the configuration of the probe-aluminium complex.     

Influence of laser microfabrication on silicon electrochemical behavior in HF solution

Influence of direct laser writing with femtosecond pulses on electrochemical etching of n-type low conductivity (>1,000 Ωcm) silicon is demonstrated. It has been shown that thermal 1-μm-thick SiO₂ layer on silicon surface can be used as a protective layer in the electrochemical etching process. It has been found that laser ablation changes not only the surface morphology and structure of silicon samples but also the character of their anodic etching in aqueous solution of hydrofluoric acid. Formation of microvoids and caverns of irregular shape has been observed at the laser-ablated sites. It is proposed that the change of silicon conductivity from n- to p-type takes place at the laser fabricated regions. Processes of Si anodic oxidation and electrochemical etching are discussed.     

5-Nitro-1,10-phenanthroline bis(<Emphasis Type="Italic">N</Emphasis>,<Emphasis Type="Italic">N</Emphasis>-dimethylformamide-Κ′O)-bis(perchlorato) copper(II): synthesis,structural characterization,and DNA-binding study

The hexa-coordinated copper(II) complex [Cu(L)(DMF)₂(ClO₄)₂], where L = 5-nitro-1,10-phenanthroline, was synthesized and characterized. The X-ray crystal structure shows that the copper is coordinated by the two N-atoms of the 1,10-phenanthroline ligand plus four O-atoms, two from DMF ligands and two from the perchlorate anions. Thermal analysis showed that the complex was stable up to 285 °C. The interaction of the complex with calf thymus DNA was investigated using absorption and emission spectroscopic studies, and the binding constant (K _b) and linear Stern–Volmer quenching constant (K _sv) have been determined. Electrochemical characterization of the complex in acetonitrile showed a quasi-reversible one-electron exchange voltammogram for the Cu²⁺/Cu+ redox couple at ca. E _1/2 = −1.00 V (versus SCE) with ΔE = 200 mV and i _pc/i _pa ≈ 1.     

Delicate Balance of Non-Covalent Forces Govern the Biocompatibility of Graphitic Carbon Nitride towards Genetic Materials

Despite a plethora of suggested technological and biomedical applications, the nanotoxicity of two-dimensional (2D) graphitic carbon nitride (g-C₃N₄) towards biomolecules remains elusive. To address this issue, we employ all-atom classical molecular dynamics simulations and investigate the interactions between nucleic acids and g-C₃N₄. It is revealed that, toxicity is modulated through a subtle balance between electrostatic and van der Waals interactions. When the exposed nucleobases interact through predominantly short-ranged van der Waals and π–π stacking interactions, they get deviated from their native disposition and adsorb on the surface, leading to loss of self-stacking and intra-quartet H-bonding along with partial disruption of the native structure. In contrast, for the interaction with double-stranded structures of both DNA and RNA, long-range electrostatics govern the adsorption phenomena since the constituent nucleobases are relatively concealed and wrapped, thereby resulting in almost complete preservation of the nucleic acid structures. Construction of free energy landscapes for lateral translation of adsorbed nucleic acids suggests decent targeting specificity owing to their restricted movement on g-C₃N₄. The release times of nucleic acids adsorbed through predominant electrostatics are significantly less than those adsorbed through stacking with the surface. It is therefore proposed that g-C₃N₄ would induce toxicity towards any biomolecule having bare residues available for strong van der Waals and π–π stacking interactions relative to those predominantly interacting through electrostatics.