<?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%">Aitipamula, Srinivasulu</style></author><author><style face="normal" font="default" size="100%">Banerjee, Rahul</style></author><author><style face="normal" font="default" size="100%">Bansal, Arvind K.</style></author><author><style face="normal" font="default" size="100%">Biradha, Kumar</style></author><author><style face="normal" font="default" size="100%">Cheney, Miranda L.</style></author><author><style face="normal" font="default" size="100%">Choudhury, Angshuman Roy</style></author><author><style face="normal" font="default" size="100%">Desiraju, Gautam R.</style></author><author><style face="normal" font="default" size="100%">Dikundwar, Amol G.</style></author><author><style face="normal" font="default" size="100%">Dubey, Ritesh</style></author><author><style face="normal" font="default" size="100%">Duggirala, Nagakiran</style></author><author><style face="normal" font="default" size="100%">Ghogale, Preetam P.</style></author><author><style face="normal" font="default" size="100%">Ghosh, Soumyajit</style></author><author><style face="normal" font="default" size="100%">Goswami, Pramod Kumar</style></author><author><style face="normal" font="default" size="100%">Goud, N. Rajesh</style></author><author><style face="normal" font="default" size="100%">Jetti, Ram R. K. R.</style></author><author><style face="normal" font="default" size="100%">Karpinski, Piotr</style></author><author><style face="normal" font="default" size="100%">Kaushik, Poonam</style></author><author><style face="normal" font="default" size="100%">Kumar, Dinesh</style></author><author><style face="normal" font="default" size="100%">Kumar, Vineet</style></author><author><style face="normal" font="default" size="100%">Moulton, Brian</style></author><author><style face="normal" font="default" size="100%">Mukherjee, Arijit</style></author><author><style face="normal" font="default" size="100%">Mukherjee, Gargi</style></author><author><style face="normal" font="default" size="100%">Myerson, Allan S.</style></author><author><style face="normal" font="default" size="100%">Puri, Vibha</style></author><author><style face="normal" font="default" size="100%">Ramanan, Arunachalam</style></author><author><style face="normal" font="default" size="100%">Rajamannar, T.</style></author><author><style face="normal" font="default" size="100%">Reddy, C. Malla</style></author><author><style face="normal" font="default" size="100%">Rodriguez-Hornedo, Nair</style></author><author><style face="normal" font="default" size="100%">Rogers, Robin D.</style></author><author><style face="normal" font="default" size="100%">Row, T. N. Guru</style></author><author><style face="normal" font="default" size="100%">Sanphui, Palash</style></author><author><style face="normal" font="default" size="100%">Shan, Ning</style></author><author><style face="normal" font="default" size="100%">Shete, Ganesh</style></author><author><style face="normal" font="default" size="100%">Singh, Amit</style></author><author><style face="normal" font="default" size="100%">Sun, Changquan C.</style></author><author><style face="normal" font="default" size="100%">Swift, Jennifer A.</style></author><author><style face="normal" font="default" size="100%">Thaimattam, Ram</style></author><author><style face="normal" font="default" size="100%">Thakur, Tejender S.</style></author><author><style face="normal" font="default" size="100%">Thaper, Rajesh Kumar</style></author><author><style face="normal" font="default" size="100%">Thomas, Sajesh P.</style></author><author><style face="normal" font="default" size="100%">Tothadi, Srinu</style></author><author><style face="normal" font="default" size="100%">Vangala, Venu R.</style></author><author><style face="normal" font="default" size="100%">Variankaval, Narayan</style></author><author><style face="normal" font="default" size="100%">Vishweshwar, Peddy</style></author><author><style face="normal" font="default" size="100%">Weyna, David R.</style></author><author><style face="normal" font="default" size="100%">Zaworotko, Michael J.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Polymorphs, salts, and cocrystals: what's in a name?</style></title><secondary-title><style face="normal" font="default" size="100%">Crystal Growth &amp; Design</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2012</style></year><pub-dates><date><style  face="normal" font="default" size="100%">MAY</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">5</style></number><publisher><style face="normal" font="default" size="100%">AMER CHEMICAL SOC</style></publisher><pub-location><style face="normal" font="default" size="100%">1155 16TH ST, NW, WASHINGTON, DC 20036 USA</style></pub-location><volume><style face="normal" font="default" size="100%">12</style></volume><pages><style face="normal" font="default" size="100%">2147-2152</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 December 2011 release of a draft United States Food and Drug Administration (FDA) guidance concerning regulatory classification of pharmaceutical cocrystals of active pharmaceutical ingredients (APIs) addressed two matters of topical interest to the crystal engineering and pharmaceutical science communities: (1) a proposed definition of cocrystals; (2) a proposed classification of pharmaceutical cocrystals as dissociable ``API-excipient'' molecular complexes. The Indo U.S. Bilateral Meeting sponsored by the Indo-U.S. Science and Technology Forum titled The Evolving Role of Solid State Chemistry in Pharmaceutical Science was held in Manesar near Delhi, India, from February 2-4, 2012. A session of the meeting was devoted to discussion of the FDA guidance draft. The debate generated strong consensus on the need to define cocrystals more broadly and to classify them like salts. It was also concluded that the diversity of API crystal forms makes it difficult to classify solid forms into three categories that are mutually exclusive. This perspective summarizes the discussion in the Indo-U.S. Bilateral Meeting and includes contributions from researchers who were not participants in the meeting.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">5</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">4.689
</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%">Aitipamula, Srinivasulu</style></author><author><style face="normal" font="default" size="100%">Banerjee, Rahul</style></author><author><style face="normal" font="default" size="100%">Bansal, Arvind K.</style></author><author><style face="normal" font="default" size="100%">Biradha, Kumar</style></author><author><style face="normal" font="default" size="100%">Cheney, Miranda L.</style></author><author><style face="normal" font="default" size="100%">Choudhury, Angshuman Roy</style></author><author><style face="normal" font="default" size="100%">Desiraju, Gautam R.</style></author><author><style face="normal" font="default" size="100%">Dikundwar, Amol G.</style></author><author><style face="normal" font="default" size="100%">Dubey, Ritesh</style></author><author><style face="normal" font="default" size="100%">Duggirala, Nagakiran</style></author><author><style face="normal" font="default" size="100%">Ghogale, Preetam P.</style></author><author><style face="normal" font="default" size="100%">Ghosh, Soumyajit</style></author><author><style face="normal" font="default" size="100%">Goswami, Pramod Kumar</style></author><author><style face="normal" font="default" size="100%">Goud, N. Rajesh</style></author><author><style face="normal" font="default" size="100%">Jetti, Ram R. K. R.</style></author><author><style face="normal" font="default" size="100%">Karpinski, Piotr</style></author><author><style face="normal" font="default" size="100%">Kaushik, Poonam</style></author><author><style face="normal" font="default" size="100%">Kumar, Dinesh</style></author><author><style face="normal" font="default" size="100%">Kumar, Vineet</style></author><author><style face="normal" font="default" size="100%">Moulton, Brian</style></author><author><style face="normal" font="default" size="100%">Mukherjee, Arijit</style></author><author><style face="normal" font="default" size="100%">Mukherjee, Gargi</style></author><author><style face="normal" font="default" size="100%">Myerson, Allan S.</style></author><author><style face="normal" font="default" size="100%">Puri, Vibha</style></author><author><style face="normal" font="default" size="100%">Ramanan, Arunachalam</style></author><author><style face="normal" font="default" size="100%">Rajamannar, T.</style></author><author><style face="normal" font="default" size="100%">Reddy, C. Malla</style></author><author><style face="normal" font="default" size="100%">Rodriguez-Hornedo, Nair</style></author><author><style face="normal" font="default" size="100%">Rogers, Robin D.</style></author><author><style face="normal" font="default" size="100%">Row, T. N. Guru</style></author><author><style face="normal" font="default" size="100%">Sanphui, Palash</style></author><author><style face="normal" font="default" size="100%">Shan, Ning</style></author><author><style face="normal" font="default" size="100%">Shete, Ganesh</style></author><author><style face="normal" font="default" size="100%">Singh, Amit</style></author><author><style face="normal" font="default" size="100%">Sun, Changquan C.</style></author><author><style face="normal" font="default" size="100%">Swift, Jennifer A.</style></author><author><style face="normal" font="default" size="100%">Thaimattam, Ram</style></author><author><style face="normal" font="default" size="100%">Thakur, Tejender S.</style></author><author><style face="normal" font="default" size="100%">Thaper, Rajesh Kumar</style></author><author><style face="normal" font="default" size="100%">Thomas, Sajesh P.</style></author><author><style face="normal" font="default" size="100%">Tothadi, Srinu</style></author><author><style face="normal" font="default" size="100%">Vangala, Venu R.</style></author><author><style face="normal" font="default" size="100%">Vishweshwar, Peddy</style></author><author><style face="normal" font="default" size="100%">Weyna, David R.</style></author><author><style face="normal" font="default" size="100%">Zaworotko, Michael J.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Polymorphs, salts and cocrystals: what's in a name? (vol 12, pg 2147, 2012)</style></title><secondary-title><style face="normal" font="default" size="100%">Crystal Growth &amp; Design</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2012</style></year><pub-dates><date><style  face="normal" font="default" size="100%">AUG</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">8</style></number><publisher><style face="normal" font="default" size="100%">AMER CHEMICAL SOC</style></publisher><pub-location><style face="normal" font="default" size="100%">1155 16TH ST, NW, WASHINGTON, DC 20036 USA</style></pub-location><volume><style face="normal" font="default" size="100%">12</style></volume><pages><style face="normal" font="default" size="100%">4290-4291</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">4.689
</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%">Sudheendranath, Athul</style></author><author><style face="normal" font="default" size="100%">Tothadi, Srinu</style></author><author><style face="normal" font="default" size="100%">Pradhan, Amit Kumar</style></author><author><style face="normal" font="default" size="100%">Prajapati, Aditya Kumar</style></author><author><style face="normal" font="default" size="100%">Nangia, Ashwini</style></author><author><style face="normal" font="default" size="100%">Thomas, Sajesh P.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Resolving salt-cocrystal conundrum in multicomponent crystals by using X-ray quantum crystallography</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Physical Chemistry C</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2025</style></year><pub-dates><date><style  face="normal" font="default" size="100%">MAY</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">129</style></volume><pages><style face="normal" font="default" size="100%">9169-9178</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 structural identity of multicomponent crystals as a salt or cocrystal is dictated by the proton transfer state between the molecular components. In pharmaceutical drugs, solid-state forms such as salts or cocrystals can have significantly distinct stability, dissolution, and solubility profiles. The accurate location of proton positions is a formidable task using conventional X-ray crystallography, as the atomic scattering factors are based on spherical electron density models. Herein, we demonstrate that the X-ray quantum crystallographic (QCr) technique of Hirshfeld Atom Refinement (HAR), based on aspherical atomic scattering factors, can be effectively employed to resolve this riddle. Our HAR models accurately located the proton positions, thus distinguishing salts, cocrystals, and continuum crystal structures, which are substantiated by the N 1s binding energies from X-ray photoelectron spectroscopy (XPS) corresponding to the base components in a series of crystals. The QCr models reveal the subtle features of electron localization and bonding around the double-well potential in the intermolecular proton-transfer regions in these crystals.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">19</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;
	3.5&lt;/p&gt;
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