Iodine catalyzed solvent-free cross-dehydrogenative coupling of arylamines and H-phosphonates for the synthesis of N-arylphosphoramidates under atmospheric conditions

Aerobic oxidative coupling of various arylamines and H-phosphonates to the corresponding N-arylphosphoramidates has been achieved under solvent-free conditions using molecular iodine. This protocol works at room temperature furnishing the corresponding P–N coupling products in moderate to high yields.     

Molecular characterisation of Bacillus chitinase for bioconversion of chitin waste

In this work chitin was extracted chemically from shrimp shells. Seventeen Bacillus isolates were screened for chitinolytic activity. The chitinolytic strains of Bt. were screened at different temperatures and pHs for their hydrolytic potentials. By using a pair of specific primers, endochitinase gene was amplified from SBS Bt-5 strain through PCR, and then cloned into pTZ57 TA cloning vector and transferred in Escherichia coli DH5α strain. The sequenced gene (GenBank Accession No: HE995800) consists of 2031 nucleotides capable of encoding 676 residues. The protein consisted of three functional domains with a calculated molecular mass of 74.53 kDa and a pI value of 5.83. The amino acid sequence of chi gene showed 99% similarity to the genes of Bt MR11 endochitinase, Bt serovar kurstaki chitinase (kchi), Bt strain MR21 endochitinase and Bacillus cereus B4264.     

Structural,spectroscopic and docking properties of resorcinol,its -OD isotopomer and dianion derivative: a comparative study

Structural and vibrational properties of resorcinol, its -OD isotopomer and dianion salt were compared with the help of quantum-chemical and spectroscopic techniques. The relative stability computed at the MP4/6-311++G(d,p) level predicted that the syn-syn rotameric form of the resorcinol molecule is about 0.7 kcal/mol higher in energy than the more stable anti-syn and anti-anti forms. Vibrational frequencies calculated for the optimized α-resorcinol and its -OD isotopomer unit cells showed that out-of-plane bending vibrations tend to shift to higher wavenumbers for the solid phase compared to the non-condensed phase indicating strong intermolecular packing forces. OH/OD isotopic shifts were identified for stretching and binding modes, which supported by DFT findings. Infrared, Raman and proton NMR data confirmed a notable change in the overall electronic properties of resorcinol upon the abstraction of the hydroxyl protons. In addition, resorcinol, in its three rotameric configurations, exhibited a stable complexation with keratin-7. While the highly electronegative nature of oxygen atoms contributed effectively to the binding affinity of resorcinol towards keratin-7, careful docking analysis showed that the steric factor play the major role in the keratolytic activity of resorcinol.     

Inequalities for the derivative of a polynomial

Let P(z) be a polynomial of degreen which does not vanish in ¦z¦ <k, wherek > 0. Fork ≤ 1, it is known that

$$\mathop {\max }\limits_{|z| = 1} |P'(z)| \leqslant \frac{n}{{1 + k^n }}\mathop {\max }\limits_{|z| = 1} |P(z)|$$

, provided ¦P’(z)¦ and ¦Q’(z)¦ become maximum at the same point on ¦z¦ = 1, where\(Q(z) = z^n \overline {P(1/\bar z)} \). In this paper we obtain certain refinements of this result. We also present a refinement of a generalization of the theorem of Tu?an.

     

An improved total synthesis of spermatinamine, an inhibitor of isoprenylcysteine carboxy methyltransferase

An improved total synthesis of spermatinamine, an inhibitor of the anticancer target, isoprenylcysteine carboxy methyltransferase (Icmt) was accomplished from the commercially available 3,4-dibromo-4-hydroxybenzaldehyde via a high yielding reaction sequence in an overall yield of 31%.     

Higher order B-spline differential quadrature rule to approximate generalized Rosenau-RLW equation

In this article, B-spline-based collocation method is employed to approximate the usual and modified Rosenau-RLW nonlinear equations. The weighted extended B-spline (WEB-spline) is used as the modified form of B-spline as the usual B-splines fail to obey the Dirichlet boundary conditions. The WEB method is more general method that allows to discretize the domain into finite number of elements not necessarily start from the boundary points of the domain. Our method omits the linearization process of the nonlinear partial differential equation (PDE). Different cases are discussed by setting the parameter p=2,3,4, and 6 that appears in Rosenau-RLW equations. The error estimation is calculated, which gives good agreement of the exact solution.     

Memory of Chirality in Flow Electrochemistry: Fast Optimisation with DoE and Online 2D-HPLC

Amino acid derivatives undergo non-Kolbe electrolysis to afford enantiomerically enriched α-alkoxyamino derivatives through intermediate chiral carbenium ions. The products contain N,O-acetals which are important structural motifs found in bioactive natural products. The reaction is performed in a continuous flow electrochemical reactor coupled to a 2D-HPLC for immediate online analysis. This allowed a fast screening of temperature, electrode material, current, flow-rate and concentration in a DoE approach. The combination with online HPLC demonstrates that also stereoselective reactions can benefit from a hugely accelerated optimisation by combining flow electrochemistry with multidimensional analysis.     

Optimization of Adventitious Root Culture for Production of Biomass and Secondary Metabolites in Prunella vulgaris L.

Adventitious root cultures of Prunella vulgaris L. were established in shaking flask system for the production of biomass and secondary metabolites. Adventitious root cultures were induced from callus cultures obtained from leaf explants on solid Murashige and Skoog (MS) medium containing combination of 6-benzyladenine (BA; 1.0 mg l^?1) and naphthalene acetic acid (NAA; 1.5 mg l^?1). Thereafter, 0.49 g inoculum was transferred to liquid MS medium supplemented with different concentrations of NAA (0.5–2.0 mg l^?1). Growth kinetics of adventitious roots was recorded with an interval of 7 days for 49 days period. Highest biomass accumulation (2.13 g/l) was observed in liquid medium containing 1.0 mg l^?1 NAA after 21 days of inoculation. However, other concentrations of NAA also showed similar accumulation pattern but the biomass gradually decreases after 49 days of inoculation. Adventitious roots were collected and dried for investigation of total phenolics (TP), total flavonoids (TF), and antioxidant activities. Higher TPC (0.995 GAE mg/g-DRB) and TFC (6.615 RE mg/g-DRB) were observed in 0.5 mg l^?1 NAA treated cultures. In contrast, higher antioxidant activity (83.53 %) was observed 1.5 mg l^?1 NAA treated cultures. These results are helpful in up scaling of root cultures into bioreactor for secondary metabolites production.