@article { ISI:000234644600023,
	title = {Hydrothermal synthesis of MCM-41 using differently manufactured amorphous dioxosilicon sources},
	journal = {Materials Letters},
	volume = {60},
	number = {7},
	year = {2006},
	month = {APR},
	pages = {957-961},
	publisher = {ELSEVIER SCIENCE BV},
	type = {Article},
	address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS},
	abstract = {<p>The influence of differently manufactured amorphous dioxosilicon sources such as fumed silica (FS), spray dried precipitated silica (PSI) and flash dried precipitated silica (PS,) on the course of structural development and properties of hydrothermally prepared siliceous MCM-41 phases have been investigated. Powder XRD, N-2 adsorption/desorption and scanning electron microscopy techniques were used for sample characterization. On the basis of results obtained from time dependent study on the progressive development of MCM-41 mesophases, the reactivity trend of dioxosilicon sources observed was as: FS \&gt; PS1 \&gt; PS2. MCM-41 synthesized using least expensive PS2 having less surface area has exhibited thicker pore walls but poor orderness, while MCM-41 prepared from expensive FS having high surface area has thinner pore walls and was well ordered. The extent of contraction caused by calcination, magnitude of the wall thickness and structural stability were found to be dependent on manufacturing process of dioxosilicon sources. The noticeable morphological differences were also observed by variations in the type of dioxosilicon sources used in the hydrothermal synthesis MCM-41 materials. (c) 2005 Elsevier B.V. All rights reserved.</p>},
	keywords = {Characterization, dioxosilicon sources, Hydrothermal synthesis, MCM-41, porosity, Structural stability},
	issn = {0167-577X},
	doi = {10.1016/j.matlet.2005.10.049},
	author = {Gaydhankar, T. R. and Samuel, V. and Joshi, P. N.}
}
@article { ISI:000267367300016,
	title = {Synthesis of Si-MCM-41 from ternary SiO2-CTAOH-H2O system via dry gel conversion route},
	journal = {Journal of Sol-Gel Science and Technology},
	volume = {51},
	number = {2},
	year = {2009},
	month = {AUG},
	pages = {244-250},
	publisher = {SPRINGER},
	address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS},
	abstract = {<p>Steam assisted dry gel conversion method was employed for the synthesis of Si-MCM-41 from ternary SiO2:CTAOH:H2O systems wherein fumed silica was used as a source of silica. The influence of synthesis time, molar ratios of CTAOH/SiO2 in dry gel and the water content at the bottom of autoclave on the quality and formation of mesophases has been investigated. Powder XRD, N-2 adsorption-desorption, TEM and hydrothermal stability test were the techniques used for sample characterization. Keeping molar ratio of CTAOH/SiO2 constant, shorter synthesis time, lower unit cell parameter and d spacing were observed when steam assisted dry gel conversion method was employed in place of conventional hydrothermal method. There exists an optimum lower limit for water content at the bottom of autoclave for reducing the synthesis period. Keeping synthesis temperature and CTAOH/SiO2 molar ratio fixed, Si-MCM-41 with improved hydrothermal stability was obtained by steam assisted dry gel conversion route.</p>},
	keywords = {Dry gel conversion, powder diffraction, Si-MCM-41, Sol-gel growth, Structural stability, Textural properties},
	issn = {0928-0707},
	doi = {10.1007/s10971-009-1969-3},
	author = {Taralkar, U. S. and Niphadkar, P. S. and Joshi, P. N.}
}
@article {44002,
	title = {Deciphering structural stability and binding mechanisms of potential antagonists with smoothened protein},
	journal = {Journal of Biomolecular Structure and Dynamics},
	year = {2017},
	month = {SEP},
	pages = {1-21},
	type = {Article in Press},
	abstract = {Identification of new potential inhibitors against Hedgehog pathway activator protein Smoothened (SMO) is considered to be of higher importance to improvise the future cancer therapeutics. Different SMO inhibitors/drugs (e.g. Cyclopamine, Vismodegib, Taladegib) used till date are found to be associated with several drug-related resistivity and toxicity. To explore the ability of new drug/inhibitor molecules, which can show better/similar binding and dynamic stability as compared to known inhibitors, virtual screening against SMO is performed followed by the comparative docking and molecular dynamic studies. {\textquoteleft}ZINC12368305{\textquoteright} is found to be the best molecule among the entire data-set, as it shows the highest binding affinity and stable conformations. Here, an integrative approach using Dynamic Graph Theory is introduced to gain the molecular insights of the structural integrity of these protein complexes at the residue level by analyzing the corresponding Protein Contact Networks along the Molecular Dynamics trajectories. The study further focuses to understand the detailed binding mechanisms of available inhibitor/drug molecules along with the newly predicted molecule. It is observed that a unique big cluster of low fluctuating residues at the vicinity of the drug binding pocket of the SMO in ZINC12368305-bound complex is present and driving it toward a more stable region. A close inspection on this site reveals the presence of a stable Pi{\textendash}Pi interaction between the pyrazole group-associated phenanthrene ring of ZINC12368305 and aromatic ring of Phe484 of SMO, which could be the potential factor of ZINC12368305 to create a more stable complex with SMO as compared to the other inhibitors.},
	keywords = {inhibitors, Pi{\textendash}Pi Interaction, Smoothened Protein, Structural stability},
	doi = {10.1080/07391102.2017.1372310},
	author = {Sinha, N.},
	editor = {Chowdhury, S.}
}
