Crystal Growth & Design最新文献

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Design of Cu(II) Nucleotide Coordination Complex by Engineered π-π Stacking Interaction: Crystal Structure and Enantiomer Recognition of Amino Acids 利用π-π堆叠相互作用设计Cu(II)核苷酸配合物:晶体结构和氨基酸对映体识别
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-09-08 DOI: 10.1021/acs.cgd.5c00677
Yaqoot Khan, , , Ke Zhao, , , Hafiz Zeshan Aqil, , , Karim Youssef Nabat, , , Hongwei Ma, , and , Hui Li*, 
{"title":"Design of Cu(II) Nucleotide Coordination Complex by Engineered π-π Stacking Interaction: Crystal Structure and Enantiomer Recognition of Amino Acids","authors":"Yaqoot Khan,&nbsp;, ,&nbsp;Ke Zhao,&nbsp;, ,&nbsp;Hafiz Zeshan Aqil,&nbsp;, ,&nbsp;Karim Youssef Nabat,&nbsp;, ,&nbsp;Hongwei Ma,&nbsp;, and ,&nbsp;Hui Li*,&nbsp;","doi":"10.1021/acs.cgd.5c00677","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00677","url":null,"abstract":"<p >The stereoselective recognition of chiral amino acids remains a fundamental challenge in biomimetic chemistry. Here, we report a single crystal of copper(II) coordination complex (C-1), which functions as a receptor, engineered by leveraging π-π stacking interactions as the primary mechanism for discriminating enantiomers of tryptophan (Trp) and histidine (His). Constructed from deoxycytidine monophosphate (dCMP) and 1,10-phenanthroline ligands, C-1 adopts a one-dimensional architecture that selectively binds <span>l</span>- and <span>d</span>-enantiomers through stereospecific aromatic interactions. UV–visible titrations reveal a 10-fold increase in absorbance for <span>l</span>-Trp compared to <span>d</span>-Trp, while circular dichroism (CD) spectra exhibit distinct Cotton effects, directly attributed to π-π stacking between the indole/imidazole side chains and the aromatic framework of C-1. DFT calculations reveal π-π binding energies (−0.49 to −1.20 eV) as the driving force for enantioselective recognition, with geometric alignment enhancing stabilization of both <span>l</span>- and <span>d</span>-enantiomers. By prioritizing π-driven interactions over hydrogen bonding, C-1 achieves precise enantioselectivity, comparable to biological systems. This work establishes π-π stacking as a design principle for synthetic receptors, facilitating adaptive chiral sensing based on noncovalent molecular recognition.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 19","pages":"8035–8046"},"PeriodicalIF":3.4,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195749","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Discovering the Crystal Structure of Biogenic Xanthine Crystals 生物源黄嘌呤晶体结构的发现
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-09-08 DOI: 10.1021/acs.cgd.5c00619
Maria Ifliand, Lothar Houben, Margarita Shepelenko, Yishay Feldman, Anna Eden Kossoy, Ofir Friedman, Mariana Hildebrand, Lia Addadi*, Leslie Leiserowitz* and Leeor Kronik*, 
{"title":"Discovering the Crystal Structure of Biogenic Xanthine Crystals","authors":"Maria Ifliand,&nbsp;Lothar Houben,&nbsp;Margarita Shepelenko,&nbsp;Yishay Feldman,&nbsp;Anna Eden Kossoy,&nbsp;Ofir Friedman,&nbsp;Mariana Hildebrand,&nbsp;Lia Addadi*,&nbsp;Leslie Leiserowitz* and Leeor Kronik*,&nbsp;","doi":"10.1021/acs.cgd.5c00619","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00619","url":null,"abstract":"<p >Thin xanthine crystal plates operate as mirrors in the ocelli (small eyes) of the insect <i>L. rozsypali</i> (jumping bristletail), where they form superstructures that are used to reflect missed incident light back to the light detectors. Here, we present the structure of the biogenic xanthine crystals. Structure determination is made possible by combining electron diffraction and 4D scanning transmission electron microscopy with fundamental symmetry considerations and first-principles calculations based on density functional theory. We find three possible structures, all layered, with individual planes comprised of the same planar hydrogen-bonded network. However, they are different polytypes (i.e., exhibit different stacking of the individual planes). One of these polytypes corresponds to the structure of the biogenic crystals, whereas a second polytype corresponds to the structure recently determined for synthetic xanthine crystals.</p><p >The crystalline structure of thin xanthine plates that operate as mirrors in the eyes of the jumping bristletail is solved by combining electron diffraction and 4D scanning transmission electron microscopy with fundamental symmetry considerations and density functional theory.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7524–7536"},"PeriodicalIF":3.4,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.cgd.5c00619","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094715","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Confinement Crystallization Behavior of Isonicotinamide within Functionalized Pores: Correlation between Polymorph Selection and Surface Chemistry 异烟酰胺在功能化孔内的约束结晶行为:多晶选择与表面化学的关系
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-09-08 DOI: 10.1021/acs.cgd.5c00983
Guiyu Chen, Pengpeng Yang, Mengyang Cai and Keke Zhang*, 
{"title":"The Confinement Crystallization Behavior of Isonicotinamide within Functionalized Pores: Correlation between Polymorph Selection and Surface Chemistry","authors":"Guiyu Chen,&nbsp;Pengpeng Yang,&nbsp;Mengyang Cai and Keke Zhang*,&nbsp;","doi":"10.1021/acs.cgd.5c00983","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00983","url":null,"abstract":"<p >Strategically modifying functional groups on pore surfaces of confined materials offers an effective approach to regulating crystal nucleation and growth, which is significant for polymorphic pharmaceuticals. Using isonicotinamide (INA) as a model polymorphic compound, this study systematically investigates the effects of pore surface chemistry─engineered with –CH<sub>3</sub>, –OH, –COOH, and –NH<sub>2</sub> groups─on polymorph selection under nanoconfinement. The results reveal distinct pathways: hydroxyl-functionalized pores exclusively yield metastable form VI, methyl-functionalized pores predominantly yield form II, while amine- and carboxyl-functionalized pores yield mixed form II/VI. The OH-modified system demonstrates selectivity for form VI, attributed to specific OH···INA hydrogen-bonding interactions that significantly reduce its nucleation activation energy. This study aims to establish a selective synthesis methodology for polymorphic control of isonicotinamide through spatial confinement and surface chemistry modulation, ultimately achieving high-purity form VI and form II. These findings establish a novel approach for controlling polymorphic outcomes via the rational design of confinement surface chemistry.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7785–7795"},"PeriodicalIF":3.4,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094664","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhancing Photocatalytic Performance via In Situ Growth of Cadmium Sulfide on Fiber-Based Coordination Polymers 在纤维基配位聚合物上原位生长硫化镉提高光催化性能
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-09-08 DOI: 10.1021/acs.cgd.5c00769
Linlin Cui, Chao Huang*, Congying Zhao, Dandan Wang, Yuanmeng Tao, Jiaxing Cui, Zhihui Ni, Mingli Jiao* and Ying-Ying Zhang*, 
{"title":"Enhancing Photocatalytic Performance via In Situ Growth of Cadmium Sulfide on Fiber-Based Coordination Polymers","authors":"Linlin Cui,&nbsp;Chao Huang*,&nbsp;Congying Zhao,&nbsp;Dandan Wang,&nbsp;Yuanmeng Tao,&nbsp;Jiaxing Cui,&nbsp;Zhihui Ni,&nbsp;Mingli Jiao* and Ying-Ying Zhang*,&nbsp;","doi":"10.1021/acs.cgd.5c00769","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00769","url":null,"abstract":"<p >The development of specific photoactive units with selective reactivity at state-of-the-art advances for photocatalytic reactions is an ideal candidate to achieve chemical transformations. In this work, the typical photoactive unit of cadmium sulfide (CdS) was integrated into the fiber-based manganese coordination polymer (Mn-CP, <b>1</b>) and polyacrylonitrile (PAN) to construct the <b>CdS@1/PAN</b> composites through electrospinning and an in situ strategy. The continuous and consistent fibrous structure of <b>1/PAN</b> membranes was prepared by combining the different contents of <b>1</b> and PAN with electrospinning techniques. Furthermore, the photoactive unit CdS was introduced onto the surface of the ordered premade building unit <b>1/PAN</b> to generate the <b>CdS@1/PAN</b> composites by the in situ mode, which possessed a fiber-based shape with good controllability and periodic dispersion of active sites. Moreover, the well-defined <b>CdS@1/PAN</b> composites were employed as photocatalysts to explore the oxidative hydroxylation reaction under blue-light irradiation. The results demonstrated that <b>CdS</b><b><sub>0.093</sub></b><b>@1/PAN</b> with well-dispersed and regularly controllable active sites provided well-defined platforms to execute the photocatalytic oxidative hydroxylation of arylboronic acids to aryl phenols as the desired products with superior activity.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7608–7617"},"PeriodicalIF":3.4,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094714","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synergistic Effect of Urea Derivatives on Pyrazinamide Vapor Pressure and Crystal Growth 尿素衍生物对吡嗪酰胺蒸气压和晶体生长的协同效应
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-09-08 DOI: 10.1021/acs.cgd.5c00351
Kangli Li, Gabin Gbabode, Muriel Sebban and Ivo B. Rietveld*, 
{"title":"Synergistic Effect of Urea Derivatives on Pyrazinamide Vapor Pressure and Crystal Growth","authors":"Kangli Li,&nbsp;Gabin Gbabode,&nbsp;Muriel Sebban and Ivo B. Rietveld*,&nbsp;","doi":"10.1021/acs.cgd.5c00351","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00351","url":null,"abstract":"<p >Pyrazinamide has a relatively high vapor pressure, and different polymorphs can be obtained through sublimation crystallization. Additive molecules, such as 1,3-dimethylurea, interact with pyrazinamide during sublimation, which has been investigated by using crystallization times in the presence of different urea derivatives. The vapor pressure, interaction strength, and number and nature of functional groups available for interaction play a role in the effectiveness of the additive in decreasing crystallization times and function as efficient transporter molecules of pyrazinamide. NMR and calculations were used to characterize the interaction sites between pyrazinamide and additives in solution. These interactions leading to dimers and possibly higher-order aggregates increase the thermodynamic capacity to accept molecules in the vapor phase without exceeding the partial vapor pressures of the individual molecules. It increases the overall molecular presence in the vapor phase similar to how a deep eutectic is promoted by intermolecular interactions.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7428–7437"},"PeriodicalIF":3.4,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094553","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Alkyl Substitution Strategy for Tuning Mechanical Deformability and Photomechanical Behavior in Organic Crystals 调节有机晶体机械变形能力和光力学行为的烷基取代策略
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-09-07 DOI: 10.1021/acs.cgd.5c00531
Jiang Peng*,  and , Jieting He*, 
{"title":"Alkyl Substitution Strategy for Tuning Mechanical Deformability and Photomechanical Behavior in Organic Crystals","authors":"Jiang Peng*,&nbsp; and ,&nbsp;Jieting He*,&nbsp;","doi":"10.1021/acs.cgd.5c00531","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00531","url":null,"abstract":"<p >Achieving tunable mechanical deformation and photobending behavior in organic crystals through simple molecular modification remains a key challenge. Herein, we report a series of structurally analogous acylhydrazone derivatives bearing various alkyl substituents (methyl to <i>tert</i>-butyl) at the para-position of the phenyl ring to systematically investigate how substitution modulates crystal properties. The unsubstituted crystal (<b>BPH</b>) shows weak mechanical deformation and photobending. The methyl-substituted <b>MBPH</b> is brittle but still photoresponsive. Remarkably, introducing an ethyl (<b>EBPH</b>) or butyl group (<b>BBPH</b>) significantly enhances both the mechanical deformability and the photobending performance. Crystals with propyl (<b>PBPH</b>) and isopropyl (<i>i</i><b>-PBPH</b>) exhibit slightly improved mechanical deformation compared to <b>BPH</b>, while the bulky <i>tert</i>-butyl group in <i>t</i><b>-BBPH</b> induces plastic deformability with light-driven motion. Structural analysis reveals that peripheral alkyl substitution on the phenyl ring influences intermolecular interactions and packing arrangements, providing a molecular-level handle to tailor the deformability and photoactuation. This study presents a generalizable alkyl substitution strategy to fine-tune the mechanical and photomechanical properties of organic crystals, offering valuable insights into the design of next-generation flexible and responsive crystalline materials.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7457–7465"},"PeriodicalIF":3.4,"publicationDate":"2025-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094681","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Advantages and Challenges of Deep Eutectic Solvents Applied to the Hot Injection Synthesis of Zinc Selenide Quantum Dots 深共晶溶剂用于硒化锌量子点热注射合成的优势与挑战
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-09-05 DOI: 10.1021/acs.cgd.5c00808
Tatiane Pretto, Julia Gelinski Tallmann, Marcos José Leite Santos* and Fábio Baum*, 
{"title":"Advantages and Challenges of Deep Eutectic Solvents Applied to the Hot Injection Synthesis of Zinc Selenide Quantum Dots","authors":"Tatiane Pretto,&nbsp;Julia Gelinski Tallmann,&nbsp;Marcos José Leite Santos* and Fábio Baum*,&nbsp;","doi":"10.1021/acs.cgd.5c00808","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00808","url":null,"abstract":"<p >ZnSe quantum dots synthesized by the hot injection method usually require high reaction temperature and time as well as conventional solvents and ligands such as octadecene and oleic acid. On the other hand, deep eutectic solvents (DESs) offer milder synthesis conditions and an environmentally friendly approach. This study aims to evaluate the viability of DESs as alternative reaction media for the synthesis of ZnSe nanoparticles, combining the hot injection method with a design of experiments (DoE) approach to understand how the synthetic parameters influence the properties of the resulting quantum dots. The successfully synthesized ZnSe quantum dots (QD) using DES were characterized by XRD, UV–vis, and SAXS techniques, and the influence of DES type on crystal size and bandgap was evaluated by DoE analysis. Our results confirm the viability of DES for ZnSe QDs synthesis, with significant reductions in reaction temperature and time. However, the limited stabilizing capacity of DES remains a challenge. This study highlights the potential of DES as an alternative solvent for the synthesis of ZnSe QDs while also indicating the need for further refinement of their stabilizing properties.</p><p >DESs enable greener, faster, low-temperature ZnSe QDs synthesis. The stabilization capacity is still limited, but the diversity of DES offers room for further optimization.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7628–7636"},"PeriodicalIF":3.4,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.cgd.5c00808","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094577","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Thymol–Menthol Deep Eutectic Solvents and Eutectogels as Pharmaceutical Crystallization Media 百里香-薄荷醇深共晶溶剂和共晶凝胶作为药物结晶介质
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-09-05 DOI: 10.1021/acs.cgd.5c01081
Daniel J. Connolly, Nicholas Blagden, Linda Seton and Jonathan W. Steed*, 
{"title":"Thymol–Menthol Deep Eutectic Solvents and Eutectogels as Pharmaceutical Crystallization Media","authors":"Daniel J. Connolly,&nbsp;Nicholas Blagden,&nbsp;Linda Seton and Jonathan W. Steed*,&nbsp;","doi":"10.1021/acs.cgd.5c01081","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c01081","url":null,"abstract":"<p >Deep eutectic solvents (DES) employing natural products represent a green alternative to conventional crystallization solvents in the pharmaceutical industry. In this work we report the use of the thymol–menthol DES as an effective crystallization solvent for a variety of active pharmaceutical ingredients and pharmaceutical cocrystals, namely aspirin, paracetamol, nicotinamide, benzamide, carbamazepine, mexiletine hydrochloride and ROY. While the involatile nature of thymol–menthol means that evaporative crystallization typically yielded the most thermodynamically stable forms, cooling crystallization yielded surprising metastable forms of the olanzapine precursor ROY depending on the composition of the DES. The 30:70 DES produced the triclinic YN form, the 70:30 composition formed monoclinic ON, while the thermodynamic Y form was obtained from a 50:50 DES mixture. Using <span>l</span>-menthol in the DES instead of racemic menthol resulted in dissolution rate differences in the case of ornidazole and offered the unusual property of chirality in a solvent medium. The DES was successfully used to form salicylic acid–nicotinamide and nevirapine–benzoic acid pharmaceutical cocrystals. It was also gelled by a small molecular bis(urea) gelator allowing supramolecular gel phase DES crystallization.</p><p >Green thymol−menthol deep eutectic solvents can be used as effective pharmaceutical crystallization and cocrystallization media both as liquids and as supramolecular eutectogels.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7834–7844"},"PeriodicalIF":3.4,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.cgd.5c01081","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094629","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cocrystal Engineering-Based Strategies for Enhancing the Permeability of Poorly Permeable APIs 基于共晶工程的低渗透性原料药渗透率提高策略
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-09-04 DOI: 10.1021/acs.cgd.5c00755
Maan Singh, Mayuri P. Sawarkar, Madhukiran R. Dhondale, Dolores R. Serrano, Ashish Kumar Agrawal and Dinesh Kumar*, 
{"title":"Cocrystal Engineering-Based Strategies for Enhancing the Permeability of Poorly Permeable APIs","authors":"Maan Singh,&nbsp;Mayuri P. Sawarkar,&nbsp;Madhukiran R. Dhondale,&nbsp;Dolores R. Serrano,&nbsp;Ashish Kumar Agrawal and Dinesh Kumar*,&nbsp;","doi":"10.1021/acs.cgd.5c00755","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00755","url":null,"abstract":"<p >The oral bioavailability and, in turn, therapeutic efficacy of an active pharmaceutical ingredient (API) are significantly affected by poor API solubility and permeability issues. Permeability issues affect approximately one-third of commercialized APIs. Cocrystals are a type of supramolecular compound that are obtained by noncovalent interactions, particularly H-bonds, between APIs and coformers in a definite stoichiometric ratio by the process of cocrystallization. Through the meticulous selection of coformers for a given API, both solubility and permeability issues can be mitigated. Cocrystallization, based on the properties of the selected coformer, can improve the permeability of APIs by enhancing the absorption flux, by increasing the lipophilicity of the molecule (lipophilic coformer), and through the enhancement of the thermodynamic activity. This review emphasizes the concepts of permeability and their enhancement through cocrystallization for improving the oral bioavailability of APIs. The selection of coformers for cocrystallization experiments, followed by their characterization post preparation, is discussed. Various in vitro and ex vivo permeability assessment methods have also been described in detail. Authors have discussed the literature trend and industrial progress related to permeability enhancement using cocrystallization over the past two decades and summarized the outcomes. The impact of solution-mediated phase transformation (SMPT) on the cocrystal permeability, followed by regulatory approval guidelines and a filing procedure, has also been discussed. Finally, the review concludes with a regulatory perspective on the cocrystals.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7852–7868"},"PeriodicalIF":3.4,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094544","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Thermally Regulated Multistate Emission through Integrated Excited-State Engineering in Organic Luminophores 基于集成激发态工程的有机发光团热调节多态发射
IF 3.4 2区 化学
Crystal Growth & Design Pub Date : 2025-09-04 DOI: 10.1021/acs.cgd.5c00993
Zixuan Xu*, Shasha Wu and Qin Guo*, 
{"title":"Thermally Regulated Multistate Emission through Integrated Excited-State Engineering in Organic Luminophores","authors":"Zixuan Xu*,&nbsp;Shasha Wu and Qin Guo*,&nbsp;","doi":"10.1021/acs.cgd.5c00993","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00993","url":null,"abstract":"<p >Organic luminescent materials with multistate responsiveness to external stimuli are of growing interest for smart sensing, information encryption, and next-generation optoelectronic devices. However, achieving thermally tunable emission involving multiple excited-state mechanisms within a single molecule remains highly challenging. Here, we report a rationally designed donor–acceptor molecule, <b>PTZT</b>, that integrates aggregation-induced emission (AIE), thermally activated delayed fluorescence (TADF), and room-temperature phosphorescence (RTP) into one solid-state system. By combining a rigid electron-deficient triazine acceptor with a twisted donor and fine-tuned intramolecular charge transfer (ICT), <b>PTZT</b> exhibits both a small singlet–triplet energy gap (ΔE<sub>S-T</sub>) and n−π* character, enabling a thermally driven interplay between fluorescence, delayed fluorescence, and phosphorescence. Remarkably, <b>PTZT</b> shows a nonmonotonic, three-stage temperature-dependent luminescence evolution, resulting from the dynamic switching of dominant excited-state pathways. Comprehensive photophysical studies and exciton kinetics modeling reveal the underlying mechanism of this triple-emission behavior. Furthermore, nondoped OLEDs based on <b>PTZT</b> demonstrate favorable electroluminescent performance, underscoring its potential for practical application. This work offers a new molecular strategy for constructing multiresponsive organic emitters with programmable thermal behaviors.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7796–7802"},"PeriodicalIF":3.4,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094673","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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