Journal of Molecular Chemistry <p>The Journal of Molecular Chemistry is a peer reviewed journal at the heart of chemistry, meant to cover research at all stages from molecule design, synthesis to applications. The journal publishes research in chemistry at molecular level to applications in biological or physical/materials field. It covers the Organic Chemistry, synthetic organic chemistry, catalysis, new methodologies, natural product synthesis, new reaction pathways, peptide synthesis, small molecule synthesis, Chemistry research, chemical technology and other allied areas covering advances in chemistry and exploration of molecular applications in biology, medicine, polymer, materials and environment.</p> en-US (Editorial, J. Mol. Chem.) (Tech, ScienceIn) Sat, 29 Jan 2022 04:50:43 +0000 OJS 60 Synthesis and structure-mechanical property correlation of an α,β-hybrid peptide containing methyl-3-aminocrotonate <p>An α,β-hybrid peptide has been synthesized and the structure-mechanical property correlation of the peptide has been presented. The α,β-hybrid peptide <strong>1</strong> has L-Phe and methyl-3-aminocrotonate residues and formed monoclinic crystals, with space group P 21/n. From X-ray crystallography analysis, there is a five-member NH⋯N and a six-member intramolecular NH⋯O=C hydrogen bond and the α,β-hybrid peptide <strong>1 </strong>adopts a turn-like conformation, due to the <em>trans</em> geometry of the methyl-3-aminocrotonate residue. The α,β-hybrid peptide <strong>1</strong> molecules self-assemble by intermolecular N-H⋯O hydrogen bonds and form a supramolecular twisted sheet-like structure which further assembled to form a supramolecular malty layers structure along the crystallographic <em>b </em>and <em>c</em> directions.However, the α,β-hybrid peptide <strong>1</strong> crystals are sensitive to external stress and brittle in nature. From FE-SEM the crystal appears as a layer by layer structure. The intermolecular interaction energies (kJ/mol) for the α,β-hybrid peptide <strong>1 </strong>were calculated using B3LYP/6-31G(d,p) dispersion corrected DFT model. Although the interaction energy is small, there is no scope of slippage due to the interaction of the Boc <em>t</em>-butyl, Phe side chains and methyl-3-aminocrotonate in the malty layer sheets.</p> <p>URN:NBN:sciencein.jmc.2022.326</p> Santosh Kumar, Debasish Haldar Copyright (c) 2022 Journal of Molecular Chemistry Fri, 04 Mar 2022 00:00:00 +0000 Electrochemical and morphological investigation on Corrosion Inhibition of Mild steel in 1N HCl by leaf extract of Pongamia pinnata <p style="text-align: justify;">The corrosion inhibition potential of <em>Pongamia pinnata </em>(<em>P.pinnata</em>) was investigated for mild steel corrosion in 1N HCl using electrochemical methods viz., Potentiodynamic Polarization and AC Impedance Spectroscopy (EIS). Spectroscopic techniques such as UV-Vis, FT-IR, GCMS, SEM and AFM techniques were used for characterization and morphology studies. From the results of potentiodynamic polarization, it is found that inhibition efficiency (I.E %) increases while increasing the concentration of leaf extract molecules, the highest inhibition efficiency of 95.5% is observed at 300ppm leaf extract. Tafel curves showed mixed type behaviour of inhibitor and results obtained from EIS studies confirmed the single charge transfer reaction of corrosion process. The inhibitor molecules obey Langmuir adsorption isotherm. FTIR, SEM and AFM results also supported the effectiveness of <em>P.pinnata </em>as good corrosion inhibitor for mild steel corrosion in acid medium. The results obtained from electrochemical methods are fairly agreed with the results arrived from spectral results. </p> <p style="text-align: justify;"><em>URN:NBN:sciencein.jmc.2022.468</em></p> C. Jeyaprabha, T.K. Bhuvaneswari Copyright (c) 2022 C. Jeyaprabha, T.K. Bhuvaneswari Fri, 11 Nov 2022 00:00:00 +0000 Synthesis and medicinal applications of quinoline hybrid heterocycles: a comprehensive review <p>Quinoline is a privileged scaffold with immense studies carried out on its synthetic methods and wide range of biological properties. In order to intensify its properties and afford potent molecules, a variety of other heterocyclic units have been combined with quinoline in a single molecule. Since it was thought that these single, highly potent molecules can serve as replacements to combination therapies and overcome problems relating to drug-resistance, an array of various quinoline hybrids have been synthesized by different methods. In view of the growing use of quinoline moiety in drug design and development, this review focuses on the synthesis and biological applications of different quinoline hybrid scaffolds.</p> <p>URN:NBN:sciencein.jmc.2022.338</p> Chaya P, Simran Shah, Anjali Krishnan, Alitta Cheriyan, Udaya Rajesh R, Libi Thomas, Anchal Singhal Copyright (c) 2022 Chaya P, Simran Shah, Anjali Krishnan, Alitta Cheriyan, Udaya Rajesh R, Libi Thomas, Anchal Singhal Thu, 07 Apr 2022 00:00:00 +0000 Facile synthesis of urea containing thiophene monomer and its application in the field of D-A conjugated polymer <p>Conjugation Break Spacer “CBS” methodology has proved to be an efficient tool to introduce the flexibility and stretchability into the otherwise known rigid polymeric backbone. CBS monomers with H-bonding unit are widely used in conjugated polymer to make electronic device intrinsically stretchable and self-healable. However, dealing with strong h-bonding system like urea, it always associate with an uphill task of purification of monomer in each step. Here, we report an efficient method of purification of urea based thiophene monomer in both of its synthetic steps into a single crystal and its application as CBS in the <em>i</em>-indigo D-A conjugated polymer.</p> <p><em>URN:NBN:sciencein.jmc.2022.<strong>523</strong></em></p> Gunvant Rajkumar Deshmukh, Radhakisan Kargude Copyright (c) 2022 Gunvant Rajkumar Deshmukh, Radhakisan Kargude Tue, 29 Nov 2022 00:00:00 +0000