@article {46425,
	title = {Saturated N-heterocyclic carbene based thiele{\textquoteright}s hydrocarbon with a tetrafluorophenylene linker},
	journal = {Chemistry-A European Journal},
	year = {2019},
	month = {NOV},
	type = {Article; Early Access},
	abstract = {<p>The synthesis of a SIPr [1,3-bis(2,6-diisopropylphenyl)-imidazolin-2-ylidene] derived Kekule diradicaloid with a tetrafluorophenylene spacer (3) has been described. Two synthetic routes have been reported to access 3. The cleavage of C-F bond of C6F6 by SIPr in the presence of BF3 led to double C-F activated compound with two tetrafluoro borate counter anions (2), which upon reduction by lithium metal afforded 3. Alternatively, 3 can be directly accessed in one step by reacting SIPr with C6F6 in presence of Mg metal. Compounds 2 and 3 were well characterized spectroscopically and by single-crystal X-ray diffraction studies. Experimental and computational studies support the cumulenic closed-shell singlet state of 3 with a singlet-triplet energy gap (Delta ES-T) of 23.7 kcal mol(-1).</p>
},
	keywords = {C-F activation, Density functional calculations, fluorine, Kekule diradicaloids, saturated NHC},
	issn = {0947-6539},
	doi = {10.1002/chem.201904421},
	author = {Kundu, Gargi and De, Sriman and Tothadi, Srinu and Das, Abhishek and Koley, Debasis and Sen, Sakya S.}
}
@article {48370,
	title = {BESFA: bioinformatics based evolutionary, structural \& functional analysis of prostate, Placenta, Ovary, Testis, and Embryo (POTE) paralogs},
	journal = {Heliyon},
	volume = {8},
	year = {2022},
	month = {SEP},
	pages = {e10476},
	type = {Article},
	abstract = {<p>
	The POTE family comprises 14 paralogues and is primarily expressed in Prostate, Placenta, Ovary, Testis, Embryo (POTE), and cancerous cells. The prospective function of the POTE protein family under physiological conditions is less understood. We systematically analyzed their cellular localization and molecular docking analysis to elucidate POTE proteins{\textquoteright} structure, function, and Adaptive Divergence. Our results suggest that group three POTE paralogs (POTEE, POTEF, POTEI, POTEJ, and POTEKP (a pseudogene)) exhibits significant variation among other members could be because of their Adaptive Divergence. Furthermore, our molecular docking studies on POTE protein revealed the highest binding affinity with NCI-approved anticancer compounds. Additionally, POTEE, POTEF, POTEI, and POTEJ were subject to an explicit molecular dynamic simulation for 50ns. MM-GBSA and other essential electrostatics were calculated that showcased that only POTEE and POTEF have absolute binding affinities with minimum energy exploitation. Thus, this study{\textquoteright}s outcomes are expected to drive cancer research to successful utilization of POTE genes family as a new biomarker, which could pave the way for the discovery of new therapies.</p>
},
	keywords = {(MMGBSA), Adaptive divergence, Evolution, generalized born surface area, Homology, Mechanics, Molecular docking, Molecular dynamic simulation molecular, POTE paralogs},
	doi = {10.1016/j.heliyon.2022.e10476},
	author = {Qazi, Sahar and Jit, Bimal Prasad and Das, Abhishek and Karthikeyan, Muthukumarasamy and Saxena, Amit and Ray, M. D. and Singh, Angel Rajan and Raza, Khalid and Jayaram, B. and Sharma, Ashok}
}
