On the existence of ‘l-asparagine cadmium chloride monohydrate’ crystal

It is argued that the nonlinear optical single crystal ‘l-asparagine cadmium chloride monohydrate’ grown by the slow evaporation solution growth technique by Masilamani et al. (Optik, 123 (2012) 1304-1306) is actually the well-known l-asparagine monohydrate crystal.     

Unidirectional growth of l-alanine single crystal: NLO material from the amino acid family

Single crystal of l-alanine (LALA) has been grown by using the Sankaranarayanan and Ramasamy (SR) method. The identity of the crystal was confirmed using single crystal X-ray diffraction. The crystalline perfection was evaluated using high-resolution X-ray diffractometry (HRXRD). Infrared (IR) spectroscopic, UV–vis–NIR spectral and second harmonic generation (SHG) conversion efficiency studies were carried out. Microhardness measurements and thermal studies of the compound were made and reported.     

Nucleation kinetics,growth and hardness parameters of l-alanine alaninium picrate (LAAP) single crystals

Amino acids are considered to be the building blocks of proteins and are gaining importance due to their interesting optical behavior. l-alanine is an amino acid which dissolves in water and it can react with other acids to form new compounds. In this work, l-alanine is mixed with picric acid to prepare l-alanine alaninium picrate (LAAP) salt. Solubility and metastable zone width were measured for LAAP salt and induction period was measured at different supersaturation ratios. The critical nucleation parameters were evaluated based on the classical theory of homogeneous nucleation. Using the optimized nucleation parameters, single crystals of LAAP salt were grown by slow evaporation technique. XRD and FTIR studies were carried out to understand structural and molecular formation of the crystal. Microhardness measurements were performed on the grown LAAP crystal and various parameters such as work hardening constant, stiffness constant, yield strength, resistance pressure and corrected hardness were evaluated. Nonlinear optical behavior of the sample was analyzed.     

Studies on growth and characterization of l-alanine strontium chloride trihydrate single crystals for optical applications

The optically transparent nonlinear optical single crystals of l-alanine strontium chloride trihydrate (LASCT) were grown by slow evaporation solution growth method using water as solvent. The purity of the crystals was increased by the method of recrystallization. The grown crystals were analyzed by the single crystal X-ray diffraction pattern which proved that LASCT belongs to monoclinic crystal system. The presence of various functional groups and modes of vibrations were identified by FTIR spectroscopy. The optical absorption study confirms the suitability of the crystal for device applications. The thermal strength and the decomposition of the grown crystals were studied using TG/DTA analyses. The dielectric constant and dielectric loss measurements of the grown crystals at different frequencies of the applied field were measured and reported. The mechanical strength of the crystal is estimated by Vicker's hardness test. The nonlinear optical properties of the grown crystals were confirmed by second harmonic generation test which shows the suitability of NLO applications.     

Pressure-induced phase transformations in l-alanine crystals

Raman scattering and synchrotron X-ray diffraction have been used to investigate the high-pressure behavior of l-alanine. This study has confirmed a structural phase transition observed by Raman scattering at 2.3 GPa and identified it as a change from orthorhombic to tetragonal structure. Another phase transformation from tetragonal to monoclinic structure has been observed at about 9 GPa. From the equation of state, the zero-pressure bulk modulus and its pressure derivative have been determined as (31.5±1.4) GPa and 4.4±0.4, respectively.     

Growth and characterization of a novel organic nonlinear optical material: l-alanine 2-furoic acid

l-alanine 2-furoic acid (LA2FA), a novel organic third order nonlinear optical material was grown by slow solvent evaporation technique at room temperature. The grown single crystals were characterized by XRD, spectral, thermal, optical, dielectric and third order nonlinear properties. LA2FA crystallizes into triclinic system with the space group P1. The cell parameters are found to be a = 3.97 Å, b = 7.09 Å, c = 10.69 Å, α = 73.61°, β = 83.57°, γ = 84.21° and V = 286 Å3. The modes of vibrations of different molecular groups present in LA2FA were identified by FTIR studies. The optical transparency of the grown crystals was investigated by UV–visible spectrum. The absorption spectrum reveals that the crystal has a high UV cut off of 245 nm and photonic band gap of 2.5 eV. The scanning electron microscope (SEM) study has been carried out to determine the surface morphology of the grown crystal. The thermal behavior of the crystal investigated using thermo gravimetric (TG) and differential thermal analysis (DTA) indicates that the material does not decompose before melting. The third order NLO property was studied in detail by z-scan technique.     

Unidirectional growth of l-lysine l-lysinium dichloride nitrate (l-LLDN) single crystals by the SR method

Bulk semi-organic single crystals of l-lysine l-lysinium dichloride nitrate (l-LLDN) were grown by Sankaranarayanan-Ramasamy (SR) method. The experimental parameters involved in the present work are discussed in detail. The cut-off wavelength and the transmittance of the crystal were determined by UV-vis-NIR spectral analysis. Mechanical stability of the crystal was determined by Vickers microhardness tester. Refractive index of the crystal was measured using Brewster’s angle method. A simple interferometric technique was used for measuring birefringence of the crystal. The frequency dependent dielectric constant (ε_r) and dielectric loss (tan δ) were also measured. The results were analyzed for the l-LLDN crystals grown by both conventional and unidirectional methods.     

Can a ‘magnesium sulfate admixtured l-threonine’ crystal be grown by slow evaporation solution growth method?

Slow evaporation of an aqueous solution containing l-threonine and magnesium sulphate heptahydrate, results in the fractional crystallization of the less soluble l-threonine crystal and not any novel optoelectronic ‘magnesium sulfate admixtured l-threonine’ crystal as reported by Puhal Raj et al. in Optik, 124 (2013) 6887–6891.     

Linear and nonlinear optical properties of a new organic NLO l-asparaginium l-tartarate (AST) single crystal

A new organic NLO material l-asparaginium l-tartarate (AST) was synthesized and good quality crystals were grown from aqueous solution. The solubility and metastable zone width for AST solution were determined. Single crystal X-ray diffraction and powder X-ray diffraction analyses were carried out to confirm structure and crystalline nature of AST crystal. Optical transmittance and second harmonic generation efficiency (SHG) of the grown crystal were studied by UV?vis?NIR spectrum and Kurtz powder technique respectively. The transmittance of AST crystal was used to calculate the refractive index (n), the extinction coefficient (k) and reflectance (R). The laser induced surface damage threshold for the grown crystal was measured using Nd:YAG laser.     

Determination of second order nonlinear optical entities for l-alanine single crystals using semi-classical anharmonic oscillator model

The second order nonlinear optical properties associated with second harmonic generation and linear electro-optic effect have been computed for l-alanine amino acid single crystals using semi-classical anharmonic oscillator model. The data obtained for l-alanine were compared with the optical parameters of similar amino acid single crystal. The results have been discussed in detail.     

Surface modification of hydroxyapatite nanoparticles by poly(l-phenylalanine) via ROP of l-phenylalanine N-carboxyanhydride (Pha-NCA)

The surface of hydroxyapatite nanoparticles was modified by poly(l-phenylalanine) via the ring opening polymerization (ROP) of l-phenylalanine N-carboxyanhydride. The preparation procedure was monitored by Fourier transform infrared spectroscopy (FTIR), and the modified hydroxyapatite was characterized by thermal gravimetric analysis (TGA) and X-ray diffraction (XRD). The results showed that the surface grafting amounts of poly(l-phenylalanine) on HA ranging from 20.26% to 38.92% can be achieved by tuning the reaction condition. The XRD patterns demonstrated that the crystalline structure of the modified hydroxyapatite was nearly the same with that of HA, implying that the ROP was an efficient surface modification method. The MTT assay proved that the biocompatibility of modified HA was very good, which showed the potential application of modified HA in bone tissue engineering.     

Growth and characterization of two new NLO materials from the amino acid family: l-Histidine nitrate and l-Cysteine tartrate monohydrate

Single crystals of organic nonlinear optical (NLO) materials l-Histidine nitrate (C₆H₁₀N₃O₂)⁺ · (NO₃)⁻ and l-Cysteine tartrate monohydrate (C₃H₈NO₂S)⁺ · (C₄H₅O₆)⁻ · H₂O were grown by submerged seed solution method. Characterization of the crystals was made using single crystal X-ray diffraction. Fourier transform infrared (FTIR) spectroscopic studies, optical behaviour such as UV-visible-NIR absorption spectra and second harmonic generation (SHG) conversion efficiency were investigated to explore the NLO characteristics of the above materials. Microhardness measurements and dielectric studies of the compounds were also carried out.     

Growth, structural, spectral, mechanical and dielectric characterization of RbCl-doped l-alanine hydrogen chloride monohydrate single crystals

Pure (undoped) and RbCl-doped LAHC single crystals were grown successfully by the solution method with the slow evaporation technique at room temperature. The grown crystals were colourless and transparent. The solubility of the grown samples were found out at various temperatures. The lattice parameters of the grown crystals were determined by the single crystal X-ray diffraction technique and the diffracting planes were indentified by recording the powder X-ray diffraction pattern. UV-visible transmittance studies were carried out for the grown samples. Chemical analysis and atomic absorption studies indicate the presence of rubidium in the doped LAHC crystals. Nonlinear optical studies reveal that the SHG efficiency increases when the LAHC crystal is doped with rubidium chloride (RbCl). From microhardness studies, it is observed that the RbCl-doped LAHC crystal is harder than the pure sample. It is observed that the dielectric properties of the LAHC crystal are altered when it is doped with rubidium chloride.     

Influence of l-alanine doping on crystalline perfection, SHG efficiency, optical and mechanical properties of KDP single crystals

Pure and l-alanine (LA) doped single crystals of potassium dihydrogen orthophosphate (KDP) were grown by slow evaporation solution technique (SEST) in aqueous solution at ambient temperature. Powder X-ray diffraction study was done to confirm the crystal system and lattice parameters of KDP. No additional phases were observed at all doping concentrations (1-7.5 mol%), which was further confirmed by FT-Raman spectroscopy analysis. The influence of LA doping on the crystalline perfection was assessed by high-resolution X-ray diffractometry (HRXRD) analysis. HRXRD studies revealed that the grown crystals could accommodate LA at the interstitial positions in the crystalline matrix of KDP up to some critical concentration without any deterioration in the crystalline perfection. Above this concentration, very low angle structural grain boundaries were developed and it seems that the excess LA above the critical concentration was segregated along the grain boundaries. The SHG efficiency was measured using the Kurtz powder technique. The relative SHG efficiency of the crystals was found to be increased with doping concentration up to 5 mol% and above this it decreases. Optical transmission study also revealed the same behavior with enhancement up to 5 mol% concentration and later decreased. The hardness values were found to be increased by increasing the doping concentration.     

EPR and optical study of Mn-doped bis(l-Asparaginato)Zn(II)

EPR and optical studies of single crystals of Mn²⁺: bis(l-Asparaginato)Zn(II) are reported. The spin-Hamiltonian parameters are determined employing the positions of a large number of resonance lines for various orientations of the external magnetic field. The best-fit zero-field parameters to the observed EPR spectra are obtained as, D=(228±2)×10⁻⁴ cm⁻¹, E=(58±2)×10⁻⁴ cm⁻¹ and a=(−12±1)×10⁻⁴ cm⁻¹,whereas g=2.0002±0.0002, , and . From the optical absorption study, the lattice distortion is suggested. The electron repulsion parameters (B and C) and crystal field parameters (Dq and α) evaluated from the fitting of observed optical spectra are: B=858 cm⁻¹, C=2620 cm⁻¹, Dq=950 cm⁻¹, and α=76 cm⁻¹.     

Matrix assisted pulsed laser evaporation of poly(d,l-lactide) thin films for controlled-release drug systems

We report the successful deposition of the porous polymer poly(d,l-lactide) by matrix assisted pulsed laser evaporation (MAPLE) using a KrF* excimer laser (248 nm, τ = 7 ns) operated at 2 Hz repetition rate. The chemical structure of the starting materials was preserved in the resulting thin films. Fluence played a key role in optimizing our depositions of the polymer. We demonstrated MAPLE was able to improve current approaches to grow high quality thin films of poly(d,l-lactide), including a porosity control highly required in targeted drug delivery.     

Dissociative photoionization of l-menthone: An experimental and theoretical study

The dissociative photoionization mechanism of l-menthone has been investigated with photoionization mass spectrometry using synchrotron radiation. The adiabatic ionization energy (IE) of l-menthone and the appearance energies (AE) of its major fragment ions C₉H₁₅O⁺, C₉H₁₇⁺, C₈H₁₆⁺, C₇H₁₁O⁺, C₆H₁₀O⁺, C₆H₉O⁺, C₅H₈O⁺, C₅H₁₀⁺, C₄H₆O⁺, C₅H₉⁺, C₄H₈⁺, C₄H₇⁺, C₃H₇⁺, C₃H₆⁺, C₂H₂O⁺, and CH₃⁺ are determined with their photoionization efficiency (PIE) spectra in the photon energy region of ∼8−15.5 eV. Breakdown diagrams identifying the major products are presented. Dissociative photoionization channels for formation of these fragment ions are proposed based on comparison of determined experimental appearance energies and energies predicted with the DFT calculations. According to our results, the experimental dissociation energies are in fair agreement with the theoretical values of the possible photodissociation channels of C₁₀H₁₈O.     

EPR and optical absorption studies of VO doped l-alanine (C3H7NO2) single crystals

VO²⁺ doped l-alanine (C₃H₇NO₂) single crystals and powders are examined by electron paramagnetic resonance (EPR) and optical absorption spectroscopy. Three magnetically different sites are resolved from angular variations of l-alanine single crystal EPR spectra. In some specific orientations each VO²⁺ line splits into three superhyperfine lines with intensities of 1:2:1 and maximum splitting value of 2.23 mT. The local symmetries of VO²⁺ complex sites are nearly axial. The optical absorption spectra show three bands. Spin Hamiltonian parameters are measured and molecular orbital coefficients are calculated by correlating EPR and optical absorption data for the central vanadyl ion.     

Very-high-order weno schemes

We study weno(2r − 1) reconstruction [D.S. Balsara, C.W. Shu, Monotonicity prserving weno schemes with increasingly high-order of accuracy, J. Comput. Phys. 160 (2000) 405–452], with the mapping (wenom) procedure of the nonlinear weights [A.K. Henrick, T.D. Aslam, J.M. Powers, Mapped weighted-essentially-non-oscillatory schemes: achieving optimal order near critical points, J. Comput. Phys. 207 (2005) 542–567], which we extend up to weno17 (r=9)$(r=9)$. We find by numerical experiment that these procedures are essentially nonoscillatory without any stringent cfl limitation (cfl∈[0.8,1])$(\text{<small-caps>cfl</small-caps>}\in [0.8\text{,}1])$, for scalar hyperbolic problems (both linear and scalar conservation laws), provided that the exponent p_β$p_{\beta }$ in the definition of the Jiang–Shu [G.S. Jiang, C.W. Shu, Efficient implementation of weighted eno schemes, J. Comput. Phys. 126 (1996) 202–228] nonlinear weights be taken as p_β=r$p_{\beta }=r$, as originally proposed by Liu et al. [X.D. Liu, S. Osher, T. Chan, Weighted essentially nonoscillatory schemes, J. Comput. Phys. 115 (1994) 200–212], instead of p_β=2$p_{\beta }=2$ (this is valid both for weno and wenom reconstructions), although the optimal value of the exponent is probably p_β(r)∈[2,r]$p_{\beta }(r)\in [2\text{,}r]$. Then, we apply the family of very-high-order wenom_pβ=r${\text{<small-caps>wenom</small-caps>}}_{p_{\beta }=r}$ reconstructions to the Euler equations of gasdynamics, by combining local characteristic decomposition [A. Harten, B. Engquist, S. Osher, S.R. Chakravarthy, Uniformly high-order accurate essentially nonoscillatory schemes iii, J. Comput. Phys. 71 (1987) 231–303], with recursive-order-reduction (ror) aiming at aleviating the problems induced by the nonlinear interactions of characteristic fields within the stencil. The proposed ror algorithm, which generalizes the algorithm of Titarev and Toro [V.A. Titarev, E.F. Toro, Finite-volume weno schemes for 3-D conservation laws, J. Comput. Phys. 201 (2004) 238–260], is free of adjustable parameters, and the corresponding rorwenom_pβ=r${\text{<small-caps>rorwenom</small-caps>}}_{p_{\beta }=r}$ schemes are essentially nonoscillatory, as Δx→0$\mathrm{\Delta }x\to 0$, up to r=9$r=9$, for all of the test-cases studied. Finally, the unsplit linewise 2-D extension of the schemes is evaluated for several test-cases.     

Crystal growth and characterization of l-phenylalaninium trichloroacetate—A new organic nonlinear optical material

Amino acid based crystals exhibit excellent nonlinear and electro-optical properties. A new nonlinear optical single crystal l-phenylalaninium trichloroacetate (LPTCA) belonging to the amino acid group was grown by the slow evaporation solution growth method. The grown crystals have been subjected to powder X-ray diffraction studies to identify the crystalline nature. Single crystal X-ray diffraction study showed that LPTCA belongs to monoclinic crystal system. Fourier transform infrared study is used to confirm the presence of various functional groups in the grown crystal. Optical transparency of the grown crystals was investigated by UV-vis-NIR spectrum. The lower optical cutoff wavelength for this crystal is observed at 254 nm and energy band gap is 4.89 eV. Thermal properties of the LPTCA crystal were studied by thermogravimetric analysis (TGA) and differential thermal analysis (DTA) techniques, which indicate that the material does not decompose before melting. The melting point of grown crystal was observed to be 136 °C in a melting point apparatus. The existence of nonlinear optical (NLO) property of LPTCA was confirmed by second harmonic generation test using Nd:YAG laser fundamental wavelength of 1064 nm.