Dr. Sahajkumar A. Gandhi
@bhavanscollegedakor.org
Bhavans College, Dakor, Sardar Patel University
Scopus Publications
Scholar Citations
Scholar h-index
Scholar i10-index
Scopus Publications
Heni Soni, Nidhi Verma, Divyesh Y. Chaudhari, Sahaj A. Gandhi, Alok Pandya, and Pinkesh G. Sutariya
Royal Society of Chemistry (RSC)
This study presents a novel approach for the detection of carbofuran (CBF) insecticide by exploring a calix[4]arene-derived fluorescence probe, CouC4S, functionalized with two coumarin-labelled at the narrow edge of the calix[4]arene platform.
D.B. Mankad, H. Bhuva, K.V. Vadhel, Oza Mahatta, Vimal Joshi, Sahaj Gandhi, M.J. Joshi, and H.O. Jethva
Elsevier BV
Heni Soni, Sahaj A Gandhi, Alok Pandya, and Pinkesh G. Sutariya
Elsevier BV
Maheshkumar K. Patel, U. H. Patel, Sahaj A. Gandhi, Bhavesh N. Socha, Sachin B. Pandya, Rahul P. Dubey, and Bhavin Chavda
Informa UK Limited
Khushbu K. Lalvani, Bhavesh N. Socha, Urmila H. Patel, Sahaj Gandhi, Mohammed Dawood Alalawy, V. M. Barot, and Mukesh Patel
Informa UK Limited
Pinkesh G. Sutariya, Heni Soni, Sahaj A. Gandhi, Saurabh S. Soni, and Jyoti Prasad
Elsevier BV
Abstract A new and dual-response calix[4]arene based fluorescence sensor; 5, 11, 17, 23-tetra t-butyl-25, 26, 27, 28 tetracarboxylate naphthalene calix [4]arene (C4N) has been designed and developed for the recognition of Zr4+ and Fe2+. The fairly linear range of C4N for Zr4+ and Fe2+ is 5−205 nM and 5–210 nM respectively. This sensor exhibits favourable selectivity towards Zr4+ and Fe2+ with the detection limit of 1.98 nM and 4.05 nM respectively via ligand to metal charge transfer (LMCT). This interesting supramolecular architecture has been exploited by UV–vis spectroscopy, voltammetry, electrospray ionization mass spectroscopy (ESI-MS), powder x-ray diffraction (PXRD) study and fourier transform infrared spectroscopy (FT-IR). The binding constant of C4N with Zr4+ and Fe2+ is calculated to be 8.139 × 108 M−1 and 8.430 × 108 M−1 respectively. The quantum mechanical study of C4N, C4N: Zr4+ and C4N: Fe2+ has been implemented using Gaussian 09 W software. Hybrid Becke’s three parameters exchange functional (B3LYP) level using standard STO-3 G basis set is used to optimize geometry of C4N and its composite metal cations. To strengthen the experimental florescence study, highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) energy band gap for C4N and C4N with Fe2+ and Zr4+ is also carried out, which reveals the enhancement and quenching effect in the luminous study. The molecular docking study has performed different protein receptors of metal-phosphodiesterase proteins (4MCW, 4MDZ, 4ME4, 6NVP and 6NVO) with C4N using HEX software.
Anilkumar S. Patel, Sahaj A. Gandhi, Rajesh D. Modh, Urmila H. Patel, Yogesh T. Naliapara, and Naval P. Kapuriya
Bentham Science Publishers Ltd.
Abstract: An inexpensive and eco-friendly Wittig olefination protocol has been developed to prepare novel (E)-5-styrylpy-rimidines. The reaction of pyrimidine phosphonium ylide with different aryl/hetero-aryl aldehydes underwent smoothly in the presence of sodium tripolyphosphate (STPP) in aqueous condition giving (E)-5-styrylpyrimidines (10a-t) in very high yields (77-96 %).
Pinkesh G. Sutariya, Heni Soni, Sahaj A. Gandhi, and Alok Pandya
Elsevier BV
Fluorescence sensor L designed around a calix[4]arene scaffold, bearing two fluorogenic aminoquinoline moities, has been synthesized. It is found to be selective and sensitive towards Sr2+ and CN- over a wide range of cations and anions in a spectrofluorometric study in acetonitrile. The ion-binding property of L was monitored by fluorescence spectroscopy, UV-vis spectroscopy, ESI-MS, 1H NMR, FT-IR investigation and PXRD study. The host L shows a minimum detection limit which is 1.36 nM for Sr2+ and 1.23 nM for CN- having concentration range 5-120 nM and 5-115 nM respectively. The calculated binding constants for L:Sr2+ and L: CN- are respectively 8.859 × 108 M-1 and 8.574 × 108 M-1. Our host L has been utilised in formation of a user-friendly, affordable, and disposable paper-based analytical device (PAD) for rapid chemical screening of Sr2+ and CN- ion via single strip. Moreover, the optimization of probe L has also been done by the MOPAC-2016 software package using NM7 popular method resulting -21.71 kcals/mol heat of formation and also determined the HOMO-LUMO energy band gap for L, L:Sr2+ and L: CN-. Further, molecular docking score has been calculated using HEX software. The applicability of our probe in real samples containing Sr2+ and CN- has also been checked by emission study with 94-99% recovery.
Pinkesh G. Sutariya, Heni Soni, and Sahaj A. Gandhi
Elsevier BV
Abstract Herein, the synthesis and evaluation of a novel CHEF-PET fluorescence sensor L, based on calix[4]arene comprising two 1-Naphthoicacid groups as binding sites, is described. The selective nature of this fluorescence probe towards Pr3+ and As3+ has been investigated by emission titration, UV–vis titration, 1H NMR spectroscopy, FT-IR, PXRD and ESI-MS investigation. The linear concentration range at pH 3.5 of L for Pr3+ and As3+ is 0–120 nM and 0–145 nM respectively with the detection limit of 1.45 nM for Pr3+ and 1.91 nM for As3+. Through Benesi-Hildebrand equation, the binding ability was found to be 7.377 × 108 M−1 for Pr3+ and 7.842 × 108 M−1 for As3+. The MOPAC-2016 software package has been used to optimize the L using PM7 and the molecular docking study has been carried out using HEX software.
Sahaj A. Gandhi, Rajeshkumar D. Modh, Urmila H. Patel, Bharatkumar D. Patel, Kishor H. Chikhalia, and Amit C Patel
Informa UK Limited
Abstract A novel quinazoline derivative, 3-[2-(3, 4-Dimethoxy phenyl)-ethyl]-2-methyl-3H quinazoline-4-one has been synthesized and characterized by FTIR, NMR, and single crystal X-ray diffraction technique. The molecular stability is mainly due to weak but collective contributions of significant intra and inter molecular C–H…O, C–H…N, C–O… π, and π–π hydrogen bond interactions and those interactions quantified by Hirshfeld surface analysis. The molecular geometry has been optimized using the B3LYP/DFT method. The electrostatic potential map, nonlinear optical properties, NBO analysis, and potential energy scan are also described. Molecular docking study carried out between quinazoline derivative and antimicrobial receptor proteins.
Maheshkumar K. Patel, U.H. Patel, Sahaj A. Gandhi, V.M. Barot, and Jatin Jayswal
Elsevier BV
Abstract Co (II) Complex of 1-(2-hydroxy-4-methoxyphenyl)ethanone has been synthesized and crystallized as solvates. The crystallization solvents used are β-picoline and pyridine. However, from β-picoline the metal complex crystallized without solvent as Co[(C9H9O3)]2(A) in monoclinic space group P21/c with lattice parameters a = 6.576(1)Ǻ, b = 11.6897(18)Ǻ, c = 10.8788 (17)Ǻ, β = 97.124 (2)° and Z = 4. From pyridine, complex crystallizes with two solvent molecules as Co[(C9H9O3)2(C5H5N)2](B) in the monoclinic space group C2/c with Z = 4 and lattice parameters as a = 17.698(2)Ǻ, b = 14.4312(16)Ǻ, c = 10.8803(12)Ǻ, and β = 116.94(2)°. In both unsolvated (A) and solvated (B) complexes Co occupies the special position (000). In solvated complex (B) the nitrogen (N1, N2) and carbon (C12, C15) of both the solvent pyridines lie on symmetry axis along with Co thereby generating other half of both the pyridines symmetrically. In unsolvated complex (A), molecular geometry around Co is distorted tetrahedral with Co coordinating to all four oxygens of bidentate ligand (Paeonol) forming a pseudo square planer configuration where as in the solvated complex (B) Co forms a pseudo square planer configuration along with nitrogens of the solvent pyridines occupying apexial position to complete the octahedral sphere. Similarities and differences in the molecular packing of unsolvated and solvated Co complex are established through the investigation of qualitative and quantitative contribution of intermolecular interactions using Hirshfeld surface and energy frame work analysis. The quantitative contributions of each intermolecular interaction towards molecular stability reveals comparatively higher value of energy (negative) for the solvated complex (B) than those of unsolvated complex (A) highlighting the significant contributions of solvent molecule in molecular stability.
Sahaj A. Gandhi, Urmila H. Patel, V. M. Barot, and N. V. S. Varma
Springer Science and Business Media LLC
The title molecule, 1-[3-(6-bezyloxy-2-hydroxy-4-methyl-cyclohexa-2, 4-dienyl)-5-phenyl-4, 5-dihydro-pyrazol-1-yl]-propan-1-one was synthesized and characterized by FTIR, 1H NMR, 13C NMR and single-crystal X-ray diffraction technique. The optimized geometry is calculated using density functional theory (DFT). A good linear correlation was observed between experimental data and theoretical structural parameters (DFT). Predicted vibrational frequencies were assigned and compared with the experimental IR spectra and they support each other. To determine conformational flexibility and hence to predict the stable geometry, potential energy scan of the molecule was obtained with respect to selected degree of freedom about O18–C19 torsional angle varied from − 180° to + 180° in steps 20°. NBO analysis was carried out for the molecule to check possible hydrogen bond interactions to correlate with those of X-ray data. Molecular stability is mainly due to weak but collective contributions of significant nonconventional C–H…π, π–π and C–H…O-type hydrogen bond interactions and those interactions also quantified by Hirshfeld surface analysis. The thermal stability of the compound was determined with the aid of thermo-gravimetric analysis and differential thermal analysis. The molecular docking study was carried out against the title molecule with 5DBM protein receptor active sites.
Pinkesh G. Sutariya, Heni Soni, Sahaj A. Gandhi, and Alok Pandya
Elsevier BV
Abstract A calix[4]arene conjugate bearing 1-aminoanthraquinone with amide linkage (L) has been synthesized and characterized, and its ability to recognize three most important essential ions, viz., La3+, Cu2+ and Br− has been addressed by fluorescence technique. L shows a minimum detection limit 0.88 nM for La3+, 0.19 nM for Cu2+ and 0.15 nM for Br−. The sensor based on (L) exhibits the working concentration range 5–120 nM for (La3+, Cu2+ and Br−) with their binding constant(Ks) 10.21 × 108 M−1(La3+), 7.04 × 108 M−1(Cu2+), 7.96 × 108 M−1 (Br−). Further, we report an easy-to-use, low cost and disposable paper-based sensing device for rapid chemical screening of La3+, Cu2+ and Br−. The device comprises luminescent sensing probe embedded into a nitrocellulose matrix where the resonance energy transfer phenomenon seems to be the sensing mechanism. The MOPAC-2016 software package has been used to optimize the L using PM7 popular method, analysed heat of formation which is −262.5572 kcals/mole and also determined the HOMO-LUMO energy band gap for L and composite of La3+, Cu2+ and Br− with L. Furthermore, to assess its analytical applicability the prepared sensor was successfully applied for determination of three different real samples (soil samples for La3+, blood serum for Cu2+ and industrial water for Br−) for validation of proposed method by recovery of ions with 94–99%.
Pinkesh G. Sutariya, Heni Soni, Sahaj A. Gandhi, and Alok Pandya
Elsevier BV
Abstract A novel structurally simple calix[4]arene attached 1-aminoanthraquinone associated lower rim calix[4]arene conjugate was synthesized and has been used as turn on/off/on fluorescence probe for Mn2+, Cr3+ and F-. This chelation enhanced fluorescence - photoinduced electron transfer (CHEF-PET) based TAAC probe has been applied for its analytical application in real samples such as Mn2+ from blood serum, Cr3+ and F- from industrial effluent with 94–99% recovery. The limit of detection of this sensor is found to be 11 nM for Mn2+, 4 nM for Cr3+ and 19 nM for F- with the concentration range of 0–120 nM. Further, we report an easy-to-use, low cost and disposable paper-based sensing device for rapid chemical screening of Mn2+, Cr3+ and F-. The device comprises fluorescent sensing probes embedded into a nitrocellulose matrix where the resonance energy transfer phenomenon seems to be the sensing mechanism. It opens up new opportunities for simple and fast screening in remote settings where sophisticated instrumentation is not always available. The MOPAC-2016 software package has been used to optimize the TAAC using PM7 well established method and calculates the HOMO-LUMO energy band gap for structure TAAC and TAAC with Mn2+, Cr3+ and F- ion based structures.
Pinkesh G. Sutariya, Heni Soni, Sahaj A. Gandhi, and Alok Pandya
Royal Society of Chemistry (RSC)
In this article, for the first time, we have reported a novel CHEF-PET fluorescence sensor L based on calix[4]arene containing four pyrene groups as binding sites, which is highly selective and sensitive towards Zn2+, Hg2+ and I−.
Pinkesh G. Sutariya, Heni Soni, Sahaj A. Gandhi, and Alok Pandya
Royal Society of Chemistry (RSC)
A new fluorescence sensor has been synthesized for its selective recognition of As3+ (11.53 nM), Nd3+ (0.65 nM) and Br− (11.25 nM).
Tanvirbanu J. Malek, Sahaj A. Gandhi, Vijay Barot, Mukesh Patel, and Urmila H. Patel
International Union of Crystallography (IUCr)
The title compound, C16H14BrN3O5, is a novel halogen (Br) substituted hydrazine derivative. The hydrazine derivatives were the group of compounds with the general structure, R 1 R 2C=NNH2 (Uppal et al., 2011), with the central RC=NNH2 moiety bridging two different groups on both sides. An all-trans configuration of the backbone (RC=NNH2) results in an extended molecular conformation. The dihedral angle between the 5-bromo-2-methoxyphenyl ring and the nitrophenyl ring is 4.4 (3)°. Intramolecular N—H...O interactions form S(6) graph-set motifs, while C—H...O and C—H...N interactions form S(5) graph-set motifs. Symmetry-related molecules are linked by C—H...O intermolecular interactions forming an R 2 1(10) graph-set motif. There are nearly face-to-face directional specific π–π stacking interactions between the centroids of the nitrophenyl ring and the benzene ring of the 5-bromo-2-methoxy group [centroid–centroid distance = 3.6121 (5) Å and slippage = 1.115 Å], which also contributes to the molecular packing. The Hirshfeld surface analysis was performed in order to visualize, explore and quantify the intermolecular interactions in the crystal lattice of the title compound.
Sahaj A. Gandhi, Urmila H. Patel, Rajesh D. Modh, Yogesh Naliyapara, and Anil S. Patel
Springer Science and Business Media LLC
Pyrimidine derivatives are well-known nitrogen containing heterocyclic compound which play an important role in medicinal and pharmaceutical applications. The synthesized compound, 2-chloro-4-(4-fluoro-phenyl)-6-isopropyl-pyrimidine-5-carboxylic acid methyl ester has been confirmed by single crystal X-ray diffraction studies. Title compound crystallizes in monoclinic space group P21/c with a = 8.5272(11) Å, b = 17.774(2) Å, c = 10.2732(14) Å, β = 111.005(2)° and Z = 4. The number of weak but significant C–H···O, C–H···N, C–F···π and π–π interactions take part, in the stability of the crystal packing and also the quantitative contributions of these interactions towards the crystal packing are investigated by Hirshfeld surface analysis. A static disorders have been observed in isopropyl substituent group of atoms C20 and C21 due to anisotropic thermal motion. Ab-initio and Density Functional Theory (DFT) calculations have been carried out for the title molecule using RHF/6-311G and B3LYP/6-311G basis set respectively without polarization function, predicting the optimized geometry which can well reproduce structural parameters. Mullikan charge distributions conforms the role of specific atom especially the donor/acceptor groups in the intermolecular interactions. In the present study, the neutral chlorine Cl (Mullikan charge is 0.0038 and 0.0256 by RHF and B3LYP respectively) does not take part in intermolecular interaction, whereas fluorine F (Mullikan charge is −0.4358 and −0.3319 by RHF and B3LYP respectively) took active part in intermolecular interactions. The calculated HOMO and LUMO energies show that charge transfer occur in the molecule. To investigate the effect of different substituted groups on molecular conformation and hence on its pharmacology, the title compound redesigned with different halogens replacing fluorine of fluoro-phenyl ring and docked with human estrogen receptor (2IOK) and attempted to predict the best drug.Graphical AbstractThe molecular structure of 2-chloro-4-(4-fluro-phenyl)-6-isopropyl-pyrimidine-5-carboxylic acid methyl ester has been determine, weak but significant interactions like C–H···O, C–H···F and π–π are involved in the stability of the structure and the quantitative contributions of these interactions towards the crystal packing are investigated by Hirshfeld surface analysis.
Bhavin R. Chavda, Sahaj A. Gandhi, Rahul P. Dubey, Urmila H. Patel, and Vijay M. Barot
Author(s)
The novel chalcone derivatives have widespread applications in material science and medicinal industries. The density functional theory (DFT) is used to optimized the molecular structure of the three chalcone derivatives (M-I, II, III). The observed discrepancies between the theoretical and experimental (X-ray data) results attributed to different environments of the molecules, the experimental values are of the molecule in solid state there by subjected to the intermolecular forces, like non-bonded hydrogen bond interactions, where as isolated state in gas phase for theoretical studies. The lattice energy of all the molecules have been calculated using PIXELC module in Coulomb –London –Pauli (CLP) package and is partitioned into corresponding coulombic, polarization, dispersion and repulsion contributions. Lattice energy data confirm and strengthen the finding of the X-ray results that the weak but significant intermolecular interactions like C-H…O, Π- Π and C-H… Π plays an important role in the stabiliz...
Urmila H. Patel, Sahaj A. Gandhi, Vijay M. Barot, and Mitesh C. Patel
Informa UK Limited
ABSTRACT A novel bio-organic molecule, 3-(3-chloro-4-methoxy-phenyl)-1-(4,5-dimethoxy-2-methyl phenyl) prop-2-en-1-one (I), has been synthesized and characterized by FTIR, 1H, and 13C NMR. To understand the role of solvents, UV-vis absorption, and fluorescence study has been carried out using different solvents. The single-crystal X-ray diffraction technique has been studied to confirm the three dimensional structure of the compound and the hydrogen bond interactions involved in the stability of the structure. The ab-initio and density functional theory (DFT) are used to optimize the molecular structure. The calculated results show that the predicted geometry can well reproduce structural parameters. In addition, frontier molecular orbitals and Mullikan charge distributions are carried out by using RHF and B3LYP methods. The synthesized compound has been screened for its antimicrobial and antifungal activities against different panel of organisms.
Tarosh S. Patel, Satish F. Vanparia, Sahaj A. Gandhi, Urmila H. Patel, Ritu B. Dixit, Chaitanya J. Chudasama, and Bharat C. Dixit
Royal Society of Chemistry (RSC)
A series of 2,3-disubstituted quinazolinones derived from sulfonamide linked glycine was designed and developed owing to their potent antimalarial activity.
Deepali A. Kotadia, Urmila H. Patel, Sahaj Gandhi, and Saurabh S. Soni
Royal Society of Chemistry (RSC)
Palladium doped silica (Pd/SiO2) mesoporous material was synthesized via a sol–gel route using the P123 triblock copolymer as structure directing agent. Pd/SiO2 was efficiently used as a catalyst for Suzuki, Heck and Sonogashira reactions under microwave irradiation. The catalyst exhibited high activity for all the coupling reactions and can be recycled nine times without a significant loss in its catalytic activity.
U. H. Patel, S. A. Gandhi, V. M. Barot, and N. V. S. Varma
International Union of Crystallography (IUCr)
In the title compound, C28H24F6N2O3, the mean plane of the central pyrazoline ring forms dihedral angles of 2.08 (9) and 69.02 (16)° with the 2-benzyloxy-6-hydroxy-4-methylphenyl and 3,5-bis(trifluoromethyl)phenyl rings, respectively. The dihedral angle between the mean planes of the pyrazoline and 3,5-bis(trifluoromethyl)phenyl rings is 68.97 (9)°. An intramolecular O—H⋯N hydrogen bond is observed, which forms an S(6) graph-set motif. In the crystal, pairs of weak C—H⋯F halogen interactions link the molecules into inversion dimers while molecular chains along [100] are formed by C—H⋯O contacts.
U. H. Patel, S. A. Gandhi, V. M. Barot, and M. C. Patel
International Union of Crystallography (IUCr)
The title compound, C19H19ClO5, is a chloro derivative of a biologically significant chalcone family. The mean plane of the two substituted benzene rings are twisted by 55.33 (8)° with respect to each other. An intramolecular C—H⋯Cl hydrogen bond generates an S(5) graph-set motif. In the crystal, a bifurcated O—H⋯(O,O) hydrogen bond leads to an R 1 2(5) graph-set motif and to the formation of zigzag chains propagating along the c-axis direction. A weak π–π interaction involving the methylphenyl rings [centroid–centroid distance = 3.8185 (10) Å] and C—H⋯π interactions also occur.