<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Kundu, Gargi</style></author><author><style face="normal" font="default" size="100%">De, Sriman</style></author><author><style face="normal" font="default" size="100%">Tothadi, Srinu</style></author><author><style face="normal" font="default" size="100%">Das, Abhishek</style></author><author><style face="normal" font="default" size="100%">Koley, Debasis</style></author><author><style face="normal" font="default" size="100%">Sen, Sakya S.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Saturated N-heterocyclic carbene based thiele's hydrocarbon with a tetrafluorophenylene linker</style></title><secondary-title><style face="normal" font="default" size="100%">Chemistry-A European Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">C-F activation</style></keyword><keyword><style  face="normal" font="default" size="100%">Density functional calculations</style></keyword><keyword><style  face="normal" font="default" size="100%">fluorine</style></keyword><keyword><style  face="normal" font="default" size="100%">Kekule diradicaloids</style></keyword><keyword><style  face="normal" font="default" size="100%">saturated NHC</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2019</style></year><pub-dates><date><style  face="normal" font="default" size="100%">NOV</style></date></pub-dates></dates><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;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).&lt;/p&gt;
</style></abstract><work-type><style face="normal" font="default" size="100%">Article; Early Access</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;5.160&lt;/p&gt;
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Qazi, Sahar</style></author><author><style face="normal" font="default" size="100%">Jit, Bimal Prasad</style></author><author><style face="normal" font="default" size="100%">Das, Abhishek</style></author><author><style face="normal" font="default" size="100%">Karthikeyan, Muthukumarasamy</style></author><author><style face="normal" font="default" size="100%">Saxena, Amit</style></author><author><style face="normal" font="default" size="100%">Ray, M. D.</style></author><author><style face="normal" font="default" size="100%">Singh, Angel Rajan</style></author><author><style face="normal" font="default" size="100%">Raza, Khalid</style></author><author><style face="normal" font="default" size="100%">Jayaram, B.</style></author><author><style face="normal" font="default" size="100%">Sharma, Ashok</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">BESFA: bioinformatics based evolutionary, structural &amp; functional analysis of prostate, Placenta, Ovary, Testis, and Embryo (POTE) paralogs</style></title><secondary-title><style face="normal" font="default" size="100%">Heliyon</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">(MMGBSA)</style></keyword><keyword><style  face="normal" font="default" size="100%">Adaptive divergence</style></keyword><keyword><style  face="normal" font="default" size="100%">Evolution</style></keyword><keyword><style  face="normal" font="default" size="100%">generalized born surface area</style></keyword><keyword><style  face="normal" font="default" size="100%">Homology</style></keyword><keyword><style  face="normal" font="default" size="100%">Mechanics</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular dynamic simulation molecular</style></keyword><keyword><style  face="normal" font="default" size="100%">POTE paralogs</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2022</style></year><pub-dates><date><style  face="normal" font="default" size="100%">SEP</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">8</style></volume><pages><style face="normal" font="default" size="100%">e10476</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;
	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' 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'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.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">9</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;
	Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;
	3.776&lt;/p&gt;
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