<?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%">Bhowmik, Aritra</style></author><author><style face="normal" font="default" size="100%">Bamane, Sanjivani</style></author><author><style face="normal" font="default" size="100%">Saxena, Ashish Kumar</style></author><author><style face="normal" font="default" size="100%">Mishra, Manish Kumar</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Caffeine vs. theophylline cocrystals: insights into structure-mechanical behavior and piezoelectricity</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%">2025</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JUN </style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">25</style></volume><pages><style face="normal" font="default" size="100%">5007-5021</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;
	Cocrystallization offers a versatile approach to modulate the physicochemical including mechanical properties of active pharmaceutical ingredients (APIs). In this study, we employ crystal engineering principles to design cocrystals of two structurally similar methylxanthine compounds-caffeine (CAF) and theophylline (THP)-with 3,5-dinitrosalicylic acid (DNSA) and 3,5-dinitrobenzoic acid (DNBA) as coformers. The resulting cocrystals and cocrystal polymorphs displayed diverse architectures-2D layers, corrugated sheets, and 3D interlocked structures-showing distinct deformation characteristics. Particular attention was given to the mechanical shearing of the layered structure cocrystals THP-DNBA and CAF-DNBA-I, which are critical for pharmaceutical manufacturing processes such as tablet compaction. The sheared fragmented crystal of THP-DNBA also shows plastic bending deformation. On the other hand, the CAF-DNSA, CAF-DNBA-II, and THP-DNSA cocrystals are brittle due to the absence of a flat layer structure. Our findings reveal that structural features such as flat molecular geometry, pi-stacking, and weak interlayer interactions play crucial roles in promoting plastic deformation via shearing and plastic bending. Nanoindentation studies have been performed on the major faces of all the cocrystals to quantify their mechanical properties. Notably, the CAF-DNBA-I cocrystal also exhibited piezoelectric properties. This work provides valuable insights into the structure-mechanical property relationship in pharmaceutical cocrystals and underscores the potential of cocrystallization in addressing formulation-related challenges.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">13</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;
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</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%">Dahake, Sakshi P.</style></author><author><style face="normal" font="default" size="100%">Mishra, Manish Kumar</style></author><author><style face="normal" font="default" size="100%">Mishra, Kamini</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Concentration-dependent nucleation of pyrazinamide polymorphs monitored by dynamic light scattering</style></title><secondary-title><style face="normal" font="default" size="100%">CrystEngComm</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2026</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%">28</style></volume><pages><style face="normal" font="default" size="100%">2965-2978</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;
	Understanding crystal nucleation in solution remains one of the central challenges in crystallization science, particularly in pharmaceutical systems where polymorphism plays a critical role in determining drug properties. In this study, we present a dynamic light scattering (DLS)-based approach to track nucleation pathways of pyrazinamide (PYZ), a frontline antituberculosis drug known to crystallize in multiple polymorphic forms. Five solvents, ethanol (EtOH), methanol (MeOH), tetrahydrofuran (THF), water (H2O), and acetone, were investigated across three solute concentrations. In contrast to earlier DLS-based studies that primarily emphasize particle size evolution, the present work correlates early-stage DLS signatures with solvent- and concentration-dependent polymorphic outcomes across multiple solvent systems. In EtOH, distinct concentration-dependent nucleation signatures corresponded to the gamma-, alpha-, and delta-forms, whereas MeOH and THF exhibited alpha- and delta-forms with differing degrees of competition between phases. In contrast, H2O and acetone consistently produced a single stable polymorph (alpha- and delta-form, respectively), independent of concentration. DLS measurements provided valuable insight into particle size evolution, capturing nucleation events, growth dynamics, and polymorphic selection across solvent systems. Additionally, this work highlights the capability of DLS to differentiate competitive and non-competitive nucleation environments through size distribution behavior, a feature not extensively reported for pharmaceutical systems. Complementary induction time experiments were also conducted to quantitatively assess solvent-dependent nucleation kinetics. The analysis revealed substantial variations in nucleation rates and interfacial energies across the five solvents, providing independent kinetic validation of the trends observed in the DLS measurements. It also represents a significant advancement by enabling both nucleation pathway tracking and induction time analysis within a unified experimental framework by single instrument, providing direct insight into nucleation kinetics. This combined experimental strategy highlights the potential of DLS as a sensitive and non-invasive method to probe nucleation pathways in solution and demonstrates its utility in correlating concentration, solvent environment, and polymorphic outcomes. Beyond advancing the fundamental understanding of nucleation, this approach offers practical promise for monitoring the design of crystallization processes in pharmaceutical and materials science applications.&lt;/p&gt;
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	2.4&lt;/p&gt;
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