Influence of magnetic field on the nucleation rate control of mono paracetamol

Crystallization of paracetamol was carried out under magnetic field in pure aqueous solution at ambient condition for the first time. Solutions at different supersaturation levels σ = 0.28–1.6 were exposed to various magnetic flux densities in the range 160–510 Gauss and the grown crystals were compared with that grown in the absence of magnetic field. Both in the absence and presence of magnetic field, solution yields only stable mono paracetamol and does not favors the metastable ortho polymorph at all supersaturation levels. The presence of magnetic field reduces the rate of crystal nucleations as well as modifies the habit of the nucleated mono paracetamol. Crystals obtained in the presence of magnetic field were of good quality and highly transparent as compared to the crystals grown in the absence of magnetic field. The induction period of the nucleation in solution decreases significantly with increase in magnetic flux density at all supersaturation ranges. The internal structure and thermal stability of the grown paracetamol crystal was confirmed by PXRD and DSC analysis.     

Synthesis,bulk growth,polarizability and nonlinear optical properties of γ‐glycine single crystals

The role of sodium acetate, sodium nitrate, sodium hydroxide and malonic acid as additives in assisting the nucleation of γ‐polymorph from solution has been investigated. For the first time large dimensional bulk single crystals of γ‐glycine have been grown at the optimized concentration of the additives by the top seeded slow cooling technique. The bulk growth of single crystals elucidates well the unidirectional growth characteristics and the existence of merohedral twinning in γ‐ glycine. Polarizability, plasmon energy and Fermi energy has been evaluated for the first time for γ‐glycine single crystals based on an analytical approach. Structural affirmation of the nucleated polymorph has been carried out by Powder x‐ray diffraction and the thermal characteristics of the nucleated polymorph are well revealed by Differential Scanning Calorimetry. The non linear optical characteristics of γ‐glycine studied by Kurtz and Perry technique revealed increased SHG efficiency with the highest of about 2.2 in the presence of malonic acid compared to the standard Potassium dihydrogen orthophosphate (KDP).     

Impact of malonic acid on the segregation of glycine polymorphs – Analytical assisted molecular approach

Proton dissociation assisted negative polarity of malonic acid molecules admist glycine zwitterions leads to orgination of γ nucleation in the solution. Alteration in the nucleation behaviour and segregation of glycine polymorphs in the presence of malonic acid over a wide range of concentrations has been investigated both by experimental and analytical approaches. Complete changeover in the nucleation behaviour from 100% α to 100% γ is observed at the critical concentration of the additive. Shifting in the overall charge environment of the system towards cationic in the presence of malonic acid favours the nucleation of γ through induced charge compensation in the solution. Tuning of merohedral twinning in γ nucleation by the additive concentration has been well revealed in the present work. CNT based analytical approach employed elucidates well the experimental observations through the estimated interfacial energy, volume excess free energy, critical radius, activation energy barrier and nucleation rates of α and γ polymorphs. Structural affirmation of the nucleated polymorphs was carried out by powder x‐ray diffraction.     

Ablation of polyimide (Kapton™) films by pulsed (ns) ultraviolet and infrared (9.17 μm) lasers

Ablation of the surface of a polyimide (Kapton) film by single pulses of 248 nm or 308 nm radiation (20 ns) or 9.17 m laser radiation (170 ns) was studied by photographing the emergence of the blast wave and the plume by a pulse (<1 ns; 596 nm) of visible laser light. The dynamics of the blast wave was similar in the ultraviolet and in the infrared but the composition of the plume was obviously different. A mass of opaque solid material was ejected for as long as 2.6 s following the IR pulse in contrast to the minute amount of solids that are seen in the ablation by UV laser pulses of ns duration. UV laser pulses of 50–400 s duration interact with polyimide surfaces in a manner that is similar to IR laser pulses of ns duration or longer. Chemical analysis of the ablation products that are obtained under various conditions of ablation when compared to the known modes of thermal degradation of polyimide show that the reaction is a thermal process when IR laser pulses or UV laser pulses of long (>10 s) duration are employed. Ablation by ns UV laser pulses differs fundamentally in the chemistry of the products from all of the cases mentioned above.     

Covalent molecular assembly in supercritical carbon dioxide: a comparative study between amine- and anhydride-derivatized surfaces

Layer-by-layer covalent assembly of an oligoimide on an anhydride- derivatized silicon dioxide surface is investigated using supercritical carbon dioxide (SCCO2) as the depositing medium. The deposited films were characterized by X-ray photoelectron spectroscopy (XPS), ellipsometry (VASE), UV-visible spectroscopy, electrochemical impedance spectroscopy, nano indentation, and atomic force microscopy (AFM) and the properties of the films compared with those of an oligoimide deposited on amine-derivatized surfaces. Films formed on the anhydride surface are more uniform and stable possibly because the silane precursor for the anhydride is anchored to the surface through two (-Si-O-Si-) tripods. XPS results indicate that the interfacial reaction resulting in amide formation is almost complete in the case of the anhydride, but not in the case of the amine. We infer that the twin tripods linking the anhydride group to the surface may have improved the accessibility of the functional groups for immobilization of the next layer, thereby contributing to the better quality.     

Influence of solvents on the conformational order of C18 alkyl modified silica gels

The influence of solvents on the conformational order of C(18) alkyl modified silica gels is studied by means of variable temperature FTIR spectroscopy. Symmetric and anti-symmetric CH(2) stretching modes were utilized for getting qualitative information about the changes in alkyl chain conformational order as a function of both protonated and perdeuterated solvents. It was found that interaction between the C(18) alkyl modified silica gels and the mobile phase results in pronounced changes of the alkyl chain conformational order. Furthermore, it was observed that some perdeuterated solvents exhibit isotope effects, which again is reflected by a different alkyl chain conformational order as compared to the corresponding stationary phases with protonated solvents.     

Structural Stability Among Hybrid Antimicrobial Peptide Cecropin A(1–8)–Magainin 2(1–12) and Its Analogues: A Computational Approach

Cecropin A–Magainin 2 (CA–MA) hybrid antimicrobial peptide (AMP), a combination of two naturally occurring AMPs, cecropin A and magainin 2 is preferred widely in biotechnological, nano and pharmaceutical applications. It exhibits a strong antibacterial activity with a characteristic reduced cytotoxic effect towards mammalian cells. In this study, three AMP structures native CA–MA hybrid and its tryptophan substitutes CA–MA L2 and CA–MA A2 was computationally studied to analyze their structural stability and functionality. Computational analysis like, intra-molecular interactions (25), relative stability (3.22) and instability index (?14.28) showed an increase in structural stability of native CA–MA hybrid. Additionally, the generated peptide ensembles showed a RMSD (3.98 Å), RMSF (0.202 Å), radius of gyration (11.98 Å), ovality (3.33) and hydrophobicity (69.7%) supporting native CA–MA along with hydrogen bond strength (?4.212 kcal/mol) and distribution comparatively. The distribution of secondary structure in native CA–MA hybrid showed the sequential maintenance of stable helical content along with helical stability (52.25%) and computed free energy (?1.74 kcal/mol) in membrane mimicking environment proving its functional activity comparatively. This study aids in designing stable AMP biodrugs with low cytotoxicity in future, the result can be potentially extended to other AMPs to assist in their exploitation as peptide and nano drugs.     

N-(p-methoxyphenyl)-N-prop-2-ynyl-urea: a crystal structure with the rare Z′=5, and statistical data on Z′ values

The crystal structure of N-(p-methoxyphenyl)-N-prop-2-ynyl-urea contains five symmetry-independent molecules (Z′=5), which is a high and rarely occurring value. The five molecules have similar but not identical conformations, and form similar but not identical intermolecular interactions. The terminal alkyne groups of the five molecules are oriented differently, and form different hydrogen bond interactions (C–HO and C–Hπ). This is an example of how simple molecules can form a highly complicated solid state structure.     

Facile chemoselective rhodium carbenoid N-H insertion reactions: synthesis of 3-arylamino- or 3-heteroarylpiperidin-2-ones

Rhodium(II) acetate catalyzed reactions of various substituted 3-diazopiperidin-2-ones with a range of aromatic amines, indoles, and benzotriazole yield exclusively the corresponding N-H insertion products despite competing C-H or O-H insertions. This strategy provides an example of a facile chemoselective N-H insertion reaction delivering a library of 3-arylamino and 3-heteroarylpiperidin-2-one derivatives in high yields.