Synthesis and evaluation of stereopure α-trifluoromethyl-malic hydroxamates as inhibitors of matrix metalloproteinases

The total synthesis of trifluoromethyl (Tfm) analogs of known nanomolar matrix metalloproteinases (MMPs) inhibitors has been performed. The synthetic protocol is based on a moderately stereoselective aldol reaction of trifluoropyruvate with an N-acyl-oxazolidin-2-thione for the construction of the core α-Tfm-malic unit. Both the diastereomeric forms of the target α-Tfm-malic hydroxamates showed micromolar inhibitory potency toward MMP-2 and 9, with a substantial drop with respect to the parent unfluorinated compounds.     

Synthesis and cytotoxicity evaluation of diastereoisomers and N-terminal analogues of tubulysin-U

Tubulysins are potent anti-mitotic natural compounds and a scalable and efficient synthetic route for generation of its analogues has been developed and extended to the synthesis of diastereoisomers and N-terminal analogues of tubulysin-U. Structure–activity-relationship studies on these synthetic analogues reaffirmed the significance of native stereochemistry of tubulysins for optimal biological activity and cytotoxicity. However, while modification of Tup stereochemistry has only minor effect on the tubulysins cytotoxicity, Tuv stereochemistry is critically important and modification of either Tuv stereocentre produced a dramatic drop in cytotoxicity.     

Artificial intelligence–based models for the qualitative and quantitative prediction of a phytochemical compound using HPLC method

Isoquercitrin is a flavonoid chemical compound that can be extracted from different plant species such as Mangifera indica (mango), Rheum nobile , Annona squamosal , Camellia sinensis (tea), and coriander ( Coriandrum sativum L.). It possesses various biological activities such as the prevention of thromboembolism and has anticancer, antiinflammatory, and antifatigue activities. Therefore, there is a critical need to elucidate and predict the qualitative and quantitative properties of this phytochemical compound using the high performance liquid chromatography (HPLC) technique. In this paper, three different nonlinear models including artificial neural network (ANN), adaptive neuro-fuzzy inference system (ANFIS), and support vector machine (SVM),in addition to a classical linear model [multilinear regression analysis (MLR)], were used for the prediction of the retention time (tR) and peak area (PA) for isoquercitrin using HPLC. The simulation uses concentration of the standard, composition of the mobile phases (MP-A and MP-B), and pH as the corresponding input variables. The performance efficiency of the models was evaluated using relative mean square error (RMSE), mean square error (MSE), determination coefficient (DC), and correlation coefficient (CC). The obtained results demonstrated that all four models are capable of predicting the qualitative and quantitative properties of the bioactive compound. A predictive comparison of the models showed that M3 had the highest prediction accuracy among the three models. Further evaluation of the results showed that ANFIS–M3 outperformed the other models and serves as the best model for the prediction of PA. On the other hand, ANN–M3proved its merit and emerged as the best model for tR simulation. The overall predictive accuracy of the best models showed them to be reliable tools for both qualitative and quantitative determination.     

Two‐dimensional modeling for stability analysis of two‐phase stratified flow

The effect of wavelength and relative velocity on the disturbed interface of two‐phase stratified regime is modeled and discussed. To analyze the stability, a small perturbation is imposed on the interface. Growth or decline of the disturbed wave, relative velocity, and surface tension with respect to time will be discussed numerically. Newly developed scheme applied to a two‐dimensional flow field and the governing Navier–Stokes equations in laminar regime are solved. Finite volume method together with non‐staggered curvilinear grid is a very effective approach to capture interface shape with time. Because of the interface shape, for any time advancement, a new grid is performed separately on each stratified field, liquid, and gas regime. The results are compared with the analytical characteristics method and one‐dimensional modeling. This comparison shows that solving the momentum equation including viscosity term leads to physically more realistic results. In addition, the newly developed method is capable of predicting two‐phase stratified flow behavior more precisely than one‐dimensional modeling. It was perceived that the surface tension has an inevitable role in dissipation of interface instability and convergence of the two‐phase flow model. Copyright © 2009 John Wiley & Sons, Ltd.     

Reactions of N-substituted allylacetic acid amides with selenium and tellurium tetrahalides

The addition of selenium tetrabromide to the olefinic bond of N-substituted allylacetic acid amides (reagent molar ratio 21) proceeds counter to Markownikoff's rule with the formation of tetrahydrofuran derivatives. The addition of tellurium tetrahalides under the same conditions (reagent molar ratio 11) proceeds in accordance with Markownikoff's rule with the formation of tetrahydropyran derivatives.Communication 10 in the series Electrophilic reactions of halides of elements of the sixth group; see [1] for Communication 9.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 6, pp. 743–745, June, 1989.     

Note on flow instability in heated ducts

Zusammenfassung Das Problem der Stabilität der Strömung durch beheizte horizontale Kanäle gegen zweidimensionale Störungen wird in linearisierter Form als Variationsaufgabe behandelt. Die Abhängigkeit der Stabilitätsparameter von der Gestalt des Kanals wird untersucht und verglichen mit dem Fall der Stabilität der von unten beheizten Flüssigkeitsschicht.     

Experimental investigation of the 2.1-μm single-mode Tm-Ho:KYF laser

We report on the development and comprehensive characterization of a room-temperature single-mode 2-m Tm-Ho:KYF laser. A maximum CW output power of 70 mW at the central wavelength of 2.078 m has been obtained. Using a 5-mm long intracavity birefringent filter the single-mode emission wavelength can be tuned over a range of 40 nm. Both frequency and relative intensity noise have been investigated showing a 1-ms emission linewidth of 600 kHz and an intensity noise spectrum that is quantum-noise limited for Fourier frequencies higher than 1 MHz. PACS 42.55Xi; 42.55Rz; 42.60Pk; 42.70Hj; 42.60Lh     

Widely tunable continuous-wave diode-pumped 2-microm Tm-Ho:KYF4 laser

Continuous-wave laser action at approximately 2 microm is demonstrated in a Tm-Ho:KYF4 single crystal at room temperature. Crystal growth, spectroscopic measurements, and laser results are presented. An output power in excess of 250 mW is obtained with a tuning range of 99 nm, the largest ever published, to our knowledge, for Tm-Ho in any crystalline host.     

Sub-100-ps amplitude-modulation mode-locked Tm-Ho:BaY2F8 laser at 2.06 microm

We report the generation of sub-100-ps pulse trains near the 2.06-microm wavelength in an actively mode-locked diode-pumped Tm-Ho:BaYF laser operating at room temperature. Transform-limited, 97-ps Gaussian pulses at a 100-MHz repetition rate with an average power in excess of 20 mW and with a carrier wavelength tunable by approximately 50 nm near 2.066 microm are demonstrated.