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The work presents the process of design using simulation approach. The fundamental unit operations were described including chemical reaction, separation in distillation units and heat exchange process together with thermodynamics considerations. Detailed description of the available methods and procedure is provided. The design process is based on the use of Chemcad software.

This paper discusses the main technological solutions used in the production of key nitrogen derivatives such as nitrobenzene, aniline, ethanolamine, and methylene diphenyl diisocyanate. The technologies presented are not only already functioning technologies, but also the newest installations that are at the testing stage.

The successful application of diphenylprolinol silyl ether, which is one of the widely used organocatalysts, to the synthesis of natural products and drugs, is described mostly focusing on the author’s results. The molecules that are explained in this paper are baclofen, telcagepant, oseltamivir, ABT-341, prostaglandins, estradiol, horsfiline and coerulescine.

The Fourier-transform infrared spectroscopy (FT-IR) spectrum of 2,4-dichloro- N -phenethylbenzenesulfonamide (DPBS) was obtained and the compound was studied theoretically. The optimized geometry, total electronic energy and vibrational wavenumbers of DPBS were examined using Hartree–Fock (HF) and density functional theory (DFT) method such as B3LYP, BP86 and M06 functionals with the basis set of 6-311++G(d,p) for all atoms. A complete vibrational assignment was studied for DPBS. The molecular orbital energies, polarizability and thermodynamic properties of DPBS were also computed. Analysis of molecular orbitals reveals the parameters such as chemical potential, chemical hardness and electrophilicity index. The molecular properties such as electric dipole moment µ , polarizability α , and hyperpolarizability β reveal the non-linear optical (NLO) property of DPBS. Natural bond analysis study reveals charge delocalization of the molecule. The experimental and computational results are found to have good agreement among themselves. The results of this work will pave the way for further insight in the study of the applications of DPBS. Graphical Abstract:

This article provides an introductory overview of a class of colorant that underpinned the establishment of the most industrially important application of photochromic dyes. It outlines the properties that led to the rise (and subsequent decline) in commercial significance of spirooxazine colorants, and which attract researchers seeking to put them to work in new technologies. Within this survey, the chief means of synthesising such dyes and adjusting their photochromism are briefly discussed. The reader is directed to useful sources of information concerning not only these aspects, but also potential applications for spirooxazine-based photochromism.