Vellore Institute of Technology (VIT) is a private university located in&nbsp;Tamil Nadu, India. Founded in 1984, as Vellore Engineering College, the institution offers 20 undergraduate, 34 postgraduate, four integrated and four research programs. It has campuses in Vellore, Amravati, Bhopal and Chennai.

VIT is one of the top ranked private universities in India according to NIRF, THE and QS Rankings.&nbsp;Govt. of India has recognized&nbsp;VIT, Vellore as an&nbsp;Institution of Eminence. This has allowed VIT to take independent quality initiatives and move up in world ranking.

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VIT University

Department of Chemistry

Nanomaterials have lately been investigated in agriculture as eco-friendly and effective antifungal agents. Many nanomaterials, notably metal nanoparticles, have strong antifungal properties. Among metal nanoparticles, Ag nanoparticles have received the most attention as antifungal agents. Many plant lectins have been identified as antifungal agents. Conjugating AgNPs with antifungal lectins is thus expected to improve Ag nanoparticle antifungal efficacy. Understanding the molecular interactions and physical features of lectin-sugar-stabilised nanoparticle conjugates is critical for future applications. WGA has traditionally been used as an anti-tumor and antifungal agent. To investigate the prospect of developing an effective biocompatible antifungal system with applications in medicine and agriculture, fluorescence spectroscopy was used to investigate the interaction between sugar-stabilised silver nanoparticles&nbsp;…

School of Advanced Sciences

Vellore Campus

World University root node

Carbohydrate Research

<a href="https://www.sciencedirect.com/science/article/pii/S0008621523002768">Spectroscopic and thermodynamic characterization of the interaction between sugar-stabilised silver nanoparticles and wheat germ agglutinin (WGA), a chitin binding lectin</a>

N-Acyltaurines (NATs) are functional lipids and bioactive fatty acid amides that encompass the taurine moiety in their polar head. They are involved in various cellular and physiological roles that can lead to interesting biological properties, i.e. analgesic action, skin wound healing, regulating insulin secretion, and alteration of the cell cycle in cancer cells. Hence, it is essential to perform structural investigations at the atomic scale to comprehend their physicochemical properties and interactions with membrane lipids. Here, we report for the first time the crystal structure, molecular packing arrangement, and intermolecular interactions of N-pentadecanoyltaurine (NPDT) employing single-crystal X-ray diffraction (SCXRD) experiments; the crystal structure of NPDT is elusive as it has a triclinic space group symmetry P within a pseudo-monoclinic lattice with lattice parameters a = 5.3204(2) Å, b = 13.5037(9) Å, c = 43.718&nbsp;… &nbsp;

CrystEngComm

<a href="https://pubs.rsc.org/en/content/articlehtml/2023/ce/d3ce00646h">Crystal structure, molecular packing, and intermolecular interactions of N-pentadecanoyltaurine and N-acyltaurine's interaction with cholesterol</a>

Micelle-assisted syntheses have gained tremendous research interest owing to their ability to solubilize hydrophobic molecules within their core. Herein, we report the synthesis of CuO@SiO2 core–shell nanoparticles using 2-pyridylmethyl-N-palmitoylglycine (PyN16G) micelles as a template. Removing the PyN16G template by calcination offered porous CuO@SiO2 nanoparticles with a pore size of 1.44 nm. Transmission electron microscopy showed an irregular soft surface and core with a lattice fringe pattern, suggesting that the surface is porous SiO2 and the core is made of crystalline CuO. The electronic properties of CuO@SiO2 were revealed by X-ray photoelectron spectroscopy, and further, the elemental composition was confirmed by energy dispersive spectrometry. The CuO@SiO2 was explored as a catalyst for hydride transfer reaction, where PyN16G micelles were used as a green medium to reduce lipophilic nitro compounds in water. The amino aromatics products were prepared from nitroaromatics in less than 15 min. The products are easily isolatable in good yield from the reaction medium without column chromatography. The catalyst was reused for more than 10 cycles in the hydride transfer reaction, and the micelles were reusable for three cycles. The reported hydride transfer reaction was tested on a large scale, where we demonstrated 1 g of nitro aniline conversion to diamino benzene in 15 min at 60 °C with good yield. The results imply that PyN16G micelles were an effective medium for producing porous nanomaterials and the synthesis of amino aromatics from nitroaromatic compounds bearing various functionalities.

New J. Chem.

<a href="https://pubs.rsc.org/en/content/articlehtml/2023/nj/d3nj02896h">2-Pyridylmethyl-N-palmitoylglycine micelle-guided synthesis of a recyclable CuO@ SiO 2 nanocatalyst for hydride transfer nitro reduction in water</a>

Correction for ‘Cobalt metal–organic framework microcrystalline particles with strong electrocatalytic activity: amine controlled morphology and OER activity’ by Gunasekaran Arunkumar et al., New J. Chem., 2023, https://doi.org/10.1039/d3nj01457f.

Correction: Cobalt metal–organic framework microcrystalline particles with strong electrocatalytic activity: amine controlled morphology and OER activity

The organic transformations in water are considered a safe, non-toxic, economical, and eco-friendly alternative. A new series of <a href="https://www.sciencedirect.com/topics/chemistry/amphophile">amphiphile</a>, N-acyl-N-(pyridin-2-ylmethyl)glycine (PyNAG) with variable <a href="https://www.sciencedirect.com/topics/chemistry/hydrophobicity">hydrophobicity</a> was successfully synthesized from glycine. The self-assembly properties were characterized by critical micellar concentration (CMC), aggregation number (Nagg), and diameter (DH). The PyNAG with N- stearoyl moiety showed lower CMC, higher Nagg, and larger DH compared to PyNAG with N- lauryl moiety. <a href="https://www.sciencedirect.com/topics/chemistry/molecular-dynamics">Molecular dynamics simulation</a> reveals that the <a href="https://www.sciencedirect.com/topics/chemistry/micelle">micelle</a> structure is compact and non-bonded energy contribution arises from <a href="https://www.sciencedirect.com/topics/physics-and-astronomy/electrostatics">electrostatic</a>, and van der Walls forces contribute to perfect packing and <a href="https://www.sciencedirect.com/topics/chemistry/micelle">micelle</a> formation. The ability of the PyNAG micelles to execute important organic transformations in water was demonstrated through synthesizing chromenoquinoline via the Povarov reaction. Micelles with varying diameters were used to conduct the Povarov reaction in order to better understand the functions of the <a href="https://www.sciencedirect.com/topics/chemistry/hydrophobicity">hydrophobicity</a> core of the micellar environment in <a href="https://www.sciencedirect.com/topics/chemistry/organic-reaction">organic reactions</a>. The results reveal that the Povarov reaction produces a good yield in N-stearoyl-N-(pyridin-2-ylmethyl)glycine (PyN18G) micelles, better than <a href="https://www.sciencedirect.com/topics/materials-science/organic-solvents">organic solvent</a> and commercial <a href="https://www.sciencedirect.com/topics/materials-science/surface-active-agent">surfactant</a>. Moreover, a linear correlation between the yield and the hydrophobicity of the PyNAG was observed. The findings demonstrate that the micellar interior significantly affects the reactivity of the substrate, which should be taken into consideration while creating new media for metal-catalyzed green synthesis.

Colloids and Surfaces A: Physicochemical and Engineering

Effectiveness of the hydrophobic core of pyridine tethered N-acyl glycine micelles in improving chromenoquinoline synthesis in water

Metal organic framework (MOF) based electrocatalysts have received increased attention in recent years because of their tailorable structure, functionality and porosity. Herein, cobalt-terephthalic acid (CoTPA) based microcrystalline MOFs particles are synthesized in the presence of four different organic amines (DABCO (D), butylamine (B), hexylamine (H) and triethylamine (T)) and the electrocatalytic oxygen evolution reaction was explored. Powder X-ray diffraction (PXRD) analysis confirmed the formation of crystalline CoTPA MOFs with a similar structure but with different faceted orientation. Further, morphological studies revealed the formation of CoTPA MOFs microparticles with different morphologies depending on the amine utilized in the reaction. BET analysis confirmed the porosity with a different surface area and pore diameter. Thermogravimetric analysis indicated the water coordination in all four MOFs. X-ray photoelectron spectroscopy (XPS) analysis indicated the coexistence of Co2+ and Co3+ in the MOFs. All four MOFs exhibited strong OER activity in alkaline medium. CoTPA-D exhibited relatively higher activity and required an overpotential of 273 mV to produce the benchmark current density of 10 mA cm−2 compared to CoTPA-B (281 mV), CoTPA-H (287 mV) and CoTPA-T (278 mV). The low Tafel slope and charge transfer resistance indicated the faster reaction kinetics whereas the higher electrochemical surface area and double layer capacitance (Cdl) suggested the availability of more active sites in CoTPA-D MOFs. The post catalytic analysis suggested the conversion of CoMOFs into CoOOH during electrocatalysis, which resulted in the enhanced OER reaction. Thus, the present work reports the facile preparation of CoMOFs with varied porosity and functionality that resulted in different electrocatalytic OER activity.<figure class="image"><img src="https://pubs.rsc.org/en/Image/Get?imageInfo.ImageType=GA&amp;imageInfo.ImageIdentifier.ManuscriptID=D3NJ01457F&amp;imageInfo.ImageIdentifier.Year=2023" alt="Graphical abstract: Cobalt metal–organic framework microcrystalline particles with strong electrocatalytic activity: amine controlled morphology and OER activity"></figure> &nbsp;

Cobalt metal–organic framework microcrystalline particles with strong electrocatalytic activity: amine controlled morphology and OER activity.G.Arunkumar,  P.Nantheeswaran,  M. Mariappan,  Ravi Kanth Kamlekar,  M. Pannipara,   A.G. Al-Sehemi and  S.P. Anthony*.

N-acyltaurines (NATs) are biologically active amphiphilic <a href="https://www.sciencedirect.com/topics/biochemistry-genetics-and-molecular-biology/lipid">lipids</a>. They come under the group of compounds known as N-acyl <a href="https://www.sciencedirect.com/topics/biochemistry-genetics-and-molecular-biology/amino-acids">amino acids</a>. NATs were first detected in the brain and other tissues in mice lacking the <a href="https://www.sciencedirect.com/topics/biochemistry-genetics-and-molecular-biology/lysozyme">enzyme</a> <a href="https://www.sciencedirect.com/topics/biochemistry-genetics-and-molecular-biology/fatty-acid-amide-hydrolase">fatty acid amide hydrolase</a> FAAH (−/−). N-arachidonoyltaurine (20:4 NAT) acts as an excellent ligand for the subset of transient receptor potential (TRP) channels, especially vanilloid type channels TRPV1 and <a href="https://www.sciencedirect.com/topics/biochemistry-genetics-and-molecular-biology/trpv4">TRPV4</a>. Also, hydrophobic and hydrophilic regions of NATs enable them to interact with <a href="https://www.sciencedirect.com/topics/biochemistry-genetics-and-molecular-biology/membrane-lipid">membrane lipids</a>. Here, we have investigated the interaction of NATs, N-myristoyltaurine (NMT), and N-palmitoyltaurine (NPT) with their corresponding diacyl <a href="https://www.sciencedirect.com/topics/biochemistry-genetics-and-molecular-biology/phosphatidylcholine">phosphatidylcholines</a> (PCs), <a href="https://www.sciencedirect.com/topics/biochemistry-genetics-and-molecular-biology/dimyristoylphosphatidylcholine">dimyristoylphosphatidylcholine</a> (DMPC), and dipalmitoylphosphatidylchoine (DPPC). The miscibility and phase behavior of the hydrated binary mixtures have been investigated by <a href="https://www.sciencedirect.com/topics/biochemistry-genetics-and-molecular-biology/differential-scanning-calorimetry">differential scanning calorimetry</a> (DSC). Studies on the interaction of NMT/NPT with DMPC/DPPC revealed that the two amphiphiles mix well up to 50&nbsp;mol% of NAT and phase separation is observed at higher contents of the NAT. The phase transition of the equimolar mixtures of NAT:PC (50:50) studied by fluorescence, also supported the DSC results. <a href="https://www.sciencedirect.com/topics/biochemistry-genetics-and-molecular-biology/powder-x-ray-diffraction">PXRD</a> and <a href="https://www.sciencedirect.com/topics/biochemistry-genetics-and-molecular-biology/fourier-transform-infrared-spectroscopy">FTIR</a> analysis show that the NAT:PC equimolar mixture (50:50) forms different supramolecular structures when compared to that of individual NATs and PCs. From transmission electron microscopic studies it is observed that the equimolar mixtures of NMT and NPT with their corresponding diacylphosphatidylcholines (50:50, mol/mol) forms unilamellar vesicles whose diameter range between 30 and 50&nbsp;nm.

Biochimica et Biophysica Acta (BBA) - Biomembranes.

<a href="https://www.sciencedirect.com/science/article/pii/S0005273622002413">Interaction of N-acyltaurines with phosphatidylcholines</a>

Sugar-stabilised nanomaterials have received a lot of attention in cancer therapy in recent years due to their pronounced application as specific targeting agents and maximizing their therapeutic potential while bypassing off-target effects. Lectins, the carbohydrate-binding proteins, are capable of binding to receptors present on the target cell/tissue and interact with transformed glycans better than normal cells. Besides some of the lectins exhibit anticancer activity. Conjugating sugar-stabilised NPs with lectins there for is expected to multiply the potential for the early diagnosis of cancer cells and the specific release of drugs into the tumor site. Because of the prospective applications of lectin-sugar-stabilised nanoparticle conjugates, it is important to understand their molecular interaction and physicochemical properties. Momordica charantia Seed Lectin (MCL) is a type II RIP and has been known as an anti-tumor agent. Investigation of the interaction between sugar-stabilised silver nanoparticles and MCL has been performed by fluorescence spectroscopy to explore the possibility of creating an effective biocompatible drug delivery system against cancer cells. In this regard interaction between lectin and NPs should be well-preserved, while recognizing the specific cell surface sugar. Therefore experiments were carried out in the presence and absence of specific sugar galactose. Protein intrinsic fluorescence emission is quenched at ~ 20% at saturation during the interaction without any significant shift in fluorescence emission maximum. Binding experiments reveal a good affinity. Tetrameric MCL binds to a single nanoparticle. Stern-Volmer analysis of the quenching data suggests that the interaction is via static quenching leading to complex formation. Hemagglutination experiments together with interaction studies in the presence of specific sugar show that the sugar-binding site of the lectin is distinct from the nanoparticle-binding site and cell recognition is very much intact even after binding to AgNPs. Our results propose the possibility of developing MCL-silver nanoparticle conjugate with high stability and multiple properties in the diagnosis and treatment of cancer.

Glycoconjugate Journal

<a href="https://link.springer.com/article/10.1007/s10719-023-10107-w">Interaction of sugar stabilised silver nanoparticles with Momordica charantia seed lectin, a type II ribosome inactivating protein</a>

Majestic Michael! The utility of chiral proline-based organocatalysts in asymmetric Michael addition, an illustrious organic transformation has been reviewed. The organocatalysts play a significant role by inducing chirality into the adducts. We intend to believe that this review will stimulate the development of new approaches for enantioselective Michael additions.

ChemistrySelect

Enantioselective Organocatalytic Michael Addition Reactions Catalyzed by Proline/Prolinol/Supported Proline based Organocatalysts: An Overview<a href="https://chemistry-europe.onlinelibrary.wiley.com/action/doSearch?ContribAuthorRaw=Pasuparthy%2C+Sai+Deepak">Sai Deepak Pasuparthy</a>,<a href="https://chemistry-europe.onlinelibrary.wiley.com/action/doSearch?ContribAuthorRaw=Maiti%2C+Barnali">Dr. Barnali Maiti</a>

In this work, we manifested a new approach in designing solid-state colorimetric sensors for the selective optical sensing of As3+. The sensor fabrication is modulated using, (i) a cubic mesopores of ordered silica <a href="https://www.sciencedirect.com/topics/earth-and-planetary-sciences/monoliths">monolith</a>, and (ii) a bimodal macro-/meso-porous polymer monolith, as hosting templates that are immobilized with a tailor-made chromoionophoric probe (DFBEP). The surface morphology and structural dimensions of the monolith templates and the sensor materials are characterized using p-XRD, XPS, FE-SEM-EDAX, HR-TEM-SAED, FT-IR, <a href="https://www.sciencedirect.com/topics/earth-and-planetary-sciences/thermogravimetric-analysis">TGA</a>, and BET/BJH analysis. The sensing components such as pH, probe content, sensor dosage, kinetics, temperature, analyte concentration, linear response range, <a href="https://www.sciencedirect.com/topics/earth-and-planetary-sciences/selectivity">selectivity</a>, and sensitivity are optimized to arrive at the best sensing conditions. The silica and polymer-based monolithic sensors show a linear <a href="https://www.sciencedirect.com/topics/earth-and-planetary-sciences/spectral-sensitivity">spectral response</a> in the concentration range of 2–300 and 2–200 ppb, with a detection limit of 0.87 and 0.75 ppb for As3+, respectively. The real-time ion-monitoring propensity of the sensors is tested with spiked synthetic and real water samples, with a recovery efficiency of ≥99.1% (RSD ≤1.57%). The sensors act as both naked-eye <a href="https://www.sciencedirect.com/topics/earth-and-planetary-sciences/optical-measuring-instrument">optical sensors</a> and preconcentrators, with a response time of ≤2.5&nbsp;min. The molecular and photophysical properties of the DFBEP-As3+ complex are studied by TD-DFT calculations, using the B3LYP/6–31G (d,p) method.

Journal of Hazardous Materials

Probe decorated porous silica and polymer monoliths as solid-state optical sensors and preconcentrators for the selective and fast recognition of ultra-trace arsenic ions