Crystal Growth & DesignPub Date : 2025-02-19DOI: 10.1021/acs.cgd.5c0002310.1021/acs.cgd.5c00023
Robin D. Rogers*, and , Allan S. Myerson,
{"title":"Crystal Growth & Design at 25: Still Building and Serving the Solid State Research Communities","authors":"Robin D. Rogers*, and , Allan S. Myerson, ","doi":"10.1021/acs.cgd.5c0002310.1021/acs.cgd.5c00023","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00023https://doi.org/10.1021/acs.cgd.5c00023","url":null,"abstract":"","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"874–877 874–877"},"PeriodicalIF":3.2,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435969","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}
Crystal Growth & DesignPub Date : 2025-02-10DOI: 10.1021/acs.cgd.4c0145110.1021/acs.cgd.4c01451
Gustavo L. Quilló, Satyajeet S. Bhonsale, Alain Collas, Jan F. M. Van Impe* and Christos Xiouras*,
{"title":"Hybrid Semi-mechanistic and Machine Learning Solubility Regression Modeling for Crystallization Process Development","authors":"Gustavo L. Quilló, Satyajeet S. Bhonsale, Alain Collas, Jan F. M. Van Impe* and Christos Xiouras*, ","doi":"10.1021/acs.cgd.4c0145110.1021/acs.cgd.4c01451","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01451https://doi.org/10.1021/acs.cgd.4c01451","url":null,"abstract":"<p >Solubility regression modeling is foundational for several chemical engineering applications, particularly for crystallization process development. Traditionally, these models rely on parametric semimechanistic approaches such as the Van’t Hoff Jouyban-Acree (VH-JA) cosolvency model. Although these models generally provide narrow prediction intervals, they can exhibit increased bias when dealing with significant solute heat capacities or complex mixture effects. This study explores machine learning, including Random Forests, Support Vector Machines, Gaussian Process Regression, and Neural Networks, as potential alternatives. While most machine learning models offered a lower training error, it was observed that their predictive quality quickly deteriorates further from the training data. Hence, a hybrid approach was explored to leverage the low bias of machine learning and the low variance of the VH-JA model through heterogeneous locally weighted bagging ensembles. Key to the methodology is quantifying, tracking, and minimizing the uncertainty using the ensemble. This approach was illustrated through a case study on the solubility of ketoconazole in binary mixtures of 2-propanol and water. The optimal hybrid ensemble, comprising of 58% stepwise VH-JA models and 42% machine learning models, reduced the training root-mean-squared error and maximum absolute percentage error by ≈30% compared to the full VH-JA, while preserving a comparable prediction interval.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"1111–1127 1111–1127"},"PeriodicalIF":3.2,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435826","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}
Crystal Growth & DesignPub Date : 2025-02-10DOI: 10.1021/acs.cgd.4c0067410.1021/acs.cgd.4c00674
Salma Mirza*, Muhammad Ateeq, Perveen Fazil, Amir Zada and Malik Shoaib Ahmad*,
{"title":"Carbon-Based Nanoporous Homochiral MOF as a Highly Efficient Platform for Chiral Recognition and Enantioselective Electrooxidation","authors":"Salma Mirza*, Muhammad Ateeq, Perveen Fazil, Amir Zada and Malik Shoaib Ahmad*, ","doi":"10.1021/acs.cgd.4c0067410.1021/acs.cgd.4c00674","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00674https://doi.org/10.1021/acs.cgd.4c00674","url":null,"abstract":"<p >Even though great progress has been made in the development of electrocatalysts, still a great challenge persists in the design of chiral-based enantiospecific catalysts. Herein, we prepared an enantioselective carbon-based nanoporous homochiral MOF from camphoric acid (D- or LCAM) [Cu<sub>2</sub>(DCAM)<sub>2</sub>(DABCO)] templated on a nickel foam substrate and subsequently loaded Pt on the prepared sample by the postsynthetic method. The obtained chiral thin-film template was found to be highly ordered [001] due to the self-assembly of the MOF by the automatic LPE method. DMOF/Pt-600@NF was used as a precursor for the calcination of a chiral nanoporous material. The DMOF/Pt-600 grown on Ni foam with 40 cycles and calcined at 600 °C for 3 h exhibited superior electrooxidation performance with excellent enantiorecognition capability and enantioselective oxidation of <i>R</i>/<i>S</i>-2-butanol with remarkable stability compared to commercial Pt/C. Circular dichroism (CD) spectroscopy, cyclic voltammetry (CV), and chronoamperometry experiments were conducted to determine the existence of chiral motifs in the synthesized nanoporous thin film. This work gives new insight into understanding the effect of highly ordered chiral structures, which is useful in enantioselective chemistry. These results could be the gateway to facilitate the development of advanced chiral material-based analytical tools that will be used in a variety of applications in bio/pharmaceutical quality control, environmental monitoring, food and beverage industries that address the poor selectivity issues in chiral detection, and butanol fuel cell industries.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"903–911 903–911"},"PeriodicalIF":3.2,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436083","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}
Crystal Growth & DesignPub Date : 2025-02-08DOI: 10.1021/acs.cgd.4c0116810.1021/acs.cgd.4c01168
Luca Terribili*, Adrienn Maria Szucs, Melanie Maddin, Kristina Petra Zubovic, Remi Rateau and Juan Diego Rodriguez-Blanco,
{"title":"Mechanistic Insights into the Early-Stage Crystallization and Nanophase Formation of Metastable Light Rare-Earth Carbonates","authors":"Luca Terribili*, Adrienn Maria Szucs, Melanie Maddin, Kristina Petra Zubovic, Remi Rateau and Juan Diego Rodriguez-Blanco, ","doi":"10.1021/acs.cgd.4c0116810.1021/acs.cgd.4c01168","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01168https://doi.org/10.1021/acs.cgd.4c01168","url":null,"abstract":"<p >Rare-earth element (REE) carbonates play a crucial role in geochemistry due to their prevalence in carbonatite ore deposits, which are extensively mined globally for REE extraction. Two primary mineral groups of interest are lanthanites (REE<sub>2</sub>(CO<sub>3</sub>)<sub>3</sub>·8H<sub>2</sub>O) and bastnäsites (REECO<sub>3</sub>(OH,F)), typically enriched in light REE. This study aims to elucidate the mechanisms and kinetics of La-, Ce-, Pr-, and Nd-carbonate crystallization reactions at the earliest stages. REE-carbonates were synthesized through homogeneous crystallization by combining CO<sub>3</sub><sup>2–</sup> and REE-bearing solutions at temperatures ranging from near-ambient to low hydrothermal conditions (5–80 °C). The crystallization processes were monitored in situ and in real-time using UV–vis spectrophotometry and synchrotron-based wide-angle X-ray scattering (WAXS). The characterization and quantification of the newly formed phases were conducted using a combination of conventional powder X-ray diffraction, high-resolution scanning electron microscopy with energy-dispersive spectroscopy and Fourier transform infrared spectroscopy. Our findings reveal a complex, multistep crystallization pathway specific to each REE, influenced by factors such as temperature, solution concentration and ratio, phase stability, and REE ionic potential. Additionally, the REE-carbonate crystallization pathways align with a progressive dehydration sequence involving multiple intermediate nanophases and reversible reactions. Notably, a reversible reaction between lanthanite and nanotengerite was observed at ambient temperature, involving structural rearrangements and hydration-dehydration processes. Our findings emphasize the importance of nanophase formation during the initial stages of REE-carbonate crystallization, with implications for the development of more efficient REE extraction methods.</p><p >This study reveals complex, multistep pathways for light rare earth carbonate crystallization, emphasizing the role of nanophases and reversible reactions at early stages.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"945–962 945–962"},"PeriodicalIF":3.2,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.cgd.4c01168","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435935","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}
Crystal Growth & DesignPub Date : 2025-02-08DOI: 10.1021/acs.cgd.4c0153910.1021/acs.cgd.4c01539
Christian Schroeder, Jennifer S. Gómez, Arno P. M. Kentgens, Lynne B. McCusker, Christian Baerlocher, Catherine Dejoie, Christopher M. Lew, Cong-Yan Chen, Stacey I. Zones, Henning Windeck, Joachim Sauer, Michael Ryan Hansen and Hubert Koller*,
{"title":"Preferred Al Locations in the Framework Structure of the Zeolite SSZ-82","authors":"Christian Schroeder, Jennifer S. Gómez, Arno P. M. Kentgens, Lynne B. McCusker, Christian Baerlocher, Catherine Dejoie, Christopher M. Lew, Cong-Yan Chen, Stacey I. Zones, Henning Windeck, Joachim Sauer, Michael Ryan Hansen and Hubert Koller*, ","doi":"10.1021/acs.cgd.4c0153910.1021/acs.cgd.4c01539","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01539https://doi.org/10.1021/acs.cgd.4c01539","url":null,"abstract":"<p >Zeolite SSZ-82 has a 2-dimensional pore system with 12-ring channels intersecting via 10-ring windows, and it is a potent catalyst in the isomerization of hydrocarbons. The location of Al in the framework structures of two differently prepared samples of Al-SSZ-82 with the same Al content has been investigated. Al-SSZ-82<sub>IZC</sub>, was synthesized hydrothermally by interzeolite conversion of zeolite Y, using 1,6-bis(N-cyclo-hexylpyrrolidinium)hexane dications as organic structure directing agents. Then, the borosilicate molecular sieve, B-SSZ-82, was synthesized with the same organics, but its boron content (1.7 per unit cell) was lower than the Al content (2.6 per u.c.) in Al-SSZ-82<sub>IZC</sub>. After calcination, Al-SSZ-82<sub>exchanged</sub> was prepared by postsynthesis exchange of B by Al. The location of these heteroatoms was investigated using high-resolution synchrotron powder diffraction and ultrahigh field <sup>27</sup>Al solid-state NMR spectroscopy techniques The parent borosilicate shows preferred locations for boron and defect site vacancies in its tetrahedral framework structure. Al was also placed into defect site vacancies by the B/Al exchange reaction to yield an Al content of 2.6 per u.c. and leading to relative Al populations that differ from the B occupancies in the parent borosilicate. For both materials, Al-SSZ-82<sub>IZC</sub> and Al-SSZ-82<sub>exchanged</sub>, Al was found in the same T sites, T5, T10, and T11 with some minor contributions at T3/T4. However, the site occupancies were found to depend on the synthesis route. The different affinities of B, Al, and defects during the hydrothermal synthesis are discussed. Quantum-chemical methods were employed to study the charged defect site vacancies of as-made B-SSZ-82 at the T5 position, yielding predicted <sup>1</sup>H NMR chemical shifts in excellent agreement with the experimental value. This study addresses three questions with implications for future efforts toward a rational insertion of heteroatoms in zeolite catalysts: the location of the organic cations, the siting of heteroatoms, and defects in specific framework positions.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"1190–1201 1190–1201"},"PeriodicalIF":3.2,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435985","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}
Crystal Growth & DesignPub Date : 2025-02-08DOI: 10.1021/acs.cgd.4c0128410.1021/acs.cgd.4c01284
Du Hyeong Lee*, and , Kitae Kim,
{"title":"Crystallization Mechanisms of Porous and Compact Amorphous Solid Water Films","authors":"Du Hyeong Lee*, and , Kitae Kim, ","doi":"10.1021/acs.cgd.4c0128410.1021/acs.cgd.4c01284","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01284https://doi.org/10.1021/acs.cgd.4c01284","url":null,"abstract":"<p >Amorphous solid water (ASW), formed by vapor deposition on cryogenic substrates (<130 K), transforms into crystalline ice at high temperatures. However, some aspects of the crystallization mechanism, such as the nucleation process, remain unclear. In this study, the crystallization kinetics of porous ASW (pASW) and compact ASW (cASW) were evaluated to identify their nucleation sites. ASW films were grown under ultrahigh vacuum conditions by background and tube-doser deposition, and their porosities were controlled by adjusting the deposition temperature and angle. In addition, the crystallized fractions were measured using desorption spectrometry. The results reveal that the pASW crystallization is triggered within the film interior, whereas the nucleation of cASW films occurs on their surfaces. Owing to the presence of pores, the pASW films crystallize faster than the cASW ones, and the crystallization activation energy of the former (68.9 kJ mol<sup>–1</sup>) is lower than that of the latter (79.8 kJ mol<sup>–1</sup>). These findings highlight the role of porosity in the crystallization of ASW, providing insights into the behavior of water molecules in cryogenic environments including polar atmospheres and the surfaces of planets and satellites.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"978–985 978–985"},"PeriodicalIF":3.2,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435938","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}
Crystal Growth & DesignPub Date : 2025-02-07DOI: 10.1021/acs.cgd.4c0146710.1021/acs.cgd.4c01467
Abanoub R. N. Hanna*, A. T. M. Nazmul Islam, Daniel Abou-Ras, Clemes Ritter, Igal Levine, Ralf Feyerherm and Bella Lake*,
{"title":"Impact of Growth Environment on the Crystal Growth and Magnetic and Electronic Properties of Ba2NiWO6 Single Crystals","authors":"Abanoub R. N. Hanna*, A. T. M. Nazmul Islam, Daniel Abou-Ras, Clemes Ritter, Igal Levine, Ralf Feyerherm and Bella Lake*, ","doi":"10.1021/acs.cgd.4c0146710.1021/acs.cgd.4c01467","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01467https://doi.org/10.1021/acs.cgd.4c01467","url":null,"abstract":"<p >This study introduces the effect of growth atmosphere and pressure on the as-grown crystals and the physical characterization of the double perovskite compound Ba<sub>2</sub>NiWO<sub>6</sub> (BNWO). The Ni<sup>2+</sup> ions form a face-centered cubic (FCC) lattice with an ideal octahedral arrangement. Our growth trials by the floating zone method revealed that BNWO exhibits two distinct colors depending on the growth atmosphere, suggesting that it influences its stoichiometry and phase purity. The antiferromagnetic properties of BNWO align with conventional antiferromagnetic behavior with a <i>J</i> = 1 ground state, as determined by entropy calculation. Additionally, surface photovoltage (SPV) spectroscopy indicates that the impurity levels within the crystal influence the electronic properties of BNWO.</p><p >We demonstrate how the growth atmosphere in floating zone synthesis dramatically influences the properties of Ba<sub>2</sub>NiWO<sub>6</sub> (BNWO) single crystals. Oxygen and argon atmospheres yield black and brown crystals, respectively, both exhibiting conventional antiferromagnetic behavior with <i>J</i> = 1 ground state. However, surface photovoltage spectroscopy reveals stark differences in their electronic properties: brown crystals show weak absorption, while black crystals display multiple peaks indicative of semiconducting behavior. These findings highlight the critical role of growth conditions in tailoring BNWO’s properties for potential quantum magnetic and optoelectronic applications.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"1155–1163 1155–1163"},"PeriodicalIF":3.2,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.cgd.4c01467","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436154","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}
Crystal Growth & DesignPub Date : 2025-02-07DOI: 10.1021/acs.cgd.4c0156910.1021/acs.cgd.4c01569
Xiang-Bin Han*, Cheng-Dong Liu and Ming-Liang Jin,
{"title":"Tetraiodide-Dianion-Bridged 3D Perovskite with Enhanced Conductivity via Interlayer Iodine Integration","authors":"Xiang-Bin Han*, Cheng-Dong Liu and Ming-Liang Jin, ","doi":"10.1021/acs.cgd.4c0156910.1021/acs.cgd.4c01569","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01569https://doi.org/10.1021/acs.cgd.4c01569","url":null,"abstract":"<p >The formation of 3D cubic-phase perovskites is typically constrained by the size of the cation, leading to the emergence of 2D quantum well structures with large organic cation spacers. To overcome this limitation, we propose a novel method that uses molecular I<sub>2</sub> to link the interlayers of 2D perovskites, forming the I<sub>4</sub><sup>2–</sup> anion. A 3D perovskite, (4ATHP)<sub>2</sub>PbI<sub>4</sub>·I<sub>2</sub> (4ATHP: 4-aminotetrahydropyran cation), was synthesized by controlling the usage of H<sub>3</sub>PO<sub>2</sub>. This compound features interlayers of inorganic components connected by molecular iodine, resulting in a 3D structure. With the incorporation of molecular iodine, the bandgap was significantly decreased to 1.76 eV compared to its analogous 2D perovskite (CHA)<sub>2</sub>PbI<sub>4</sub> (CHA: cyclohexanaminium) with a bandgap of 2.29 eV. The conductivity increased by 3 orders of magnitude along the out-of-plane direction compared to (CHA)<sub>2</sub>PbI<sub>4</sub>, due to defect formation driven by the release of molecular iodine, which acted as a charge carrier. Transient photoconductivity increases while steady-state photoconductivity decreases over time. Additionally, the compound exhibits an extrinsic broadband emission. These findings demonstrate the direct impact of iodide ion oxidation into iodine on the photoelectrical properties of perovskite solar cells, specifically increasing the conductivity while decreasing the photoconductivity. Furthermore, this compound serves as a valuable model to explore the role of molecular iodine in perovskite solar cells.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"1202–1210 1202–1210"},"PeriodicalIF":3.2,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436366","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}
Crystal Growth & DesignPub Date : 2025-02-07DOI: 10.1021/acs.cgd.4c0133010.1021/acs.cgd.4c01330
Jinhui Song, Jiaxin Xie, Tianfu Zhang, Mengjiao Xing, Zimin Peng, Wenyao Gu, Jianyu Tang, Lu Tang, Suyao Liu*, Yi Liu, Tong Chang* and Yiwen Fang*,
{"title":"Ionic Liquid-Assisted Synthesis of Nanosized ZSM-22 Zeolites with Enhanced Hydroisomerization Performance","authors":"Jinhui Song, Jiaxin Xie, Tianfu Zhang, Mengjiao Xing, Zimin Peng, Wenyao Gu, Jianyu Tang, Lu Tang, Suyao Liu*, Yi Liu, Tong Chang* and Yiwen Fang*, ","doi":"10.1021/acs.cgd.4c0133010.1021/acs.cgd.4c01330","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01330https://doi.org/10.1021/acs.cgd.4c01330","url":null,"abstract":"<p >Advancing the conventional hydrothermal and ionic liquid-assisted synthesis methodologies to produce ZSM-22 zeolites with similar characteristics yet notably distinct defect sites holds substantial significance in elucidating their influence on shape selectivity and hydroisomerization performance. This study investigated the impact of the initial gel ratio and synthesis parameters on the ionic liquid-assisted crystallization process and the crystal size of the ZSM-22 zeolite. The NH<sub>4</sub>F feed exhibits a minimal effect on the crystallization process, in contrast to the beneficial effect of improved ionic liquid and decreased water feed on substantially diminishing the crystal size of the resulting zeolites, which exhibit a morphology similar to that of the ZSM-22 zeolite obtained through the conventional synthesis route. Furthermore, the investigation into the crystallization process revealed that both ionic liquids and high temperatures play indispensable roles in accelerating the nucleation and crystal growth of ZSM-22 zeolite. When applied in the n-dodecane hydroisomerization, the nanosized ZSM-22 zeolites prepared by ionic liquid-assisted route exhibit remarkable isomer yield (above 72%), surpassing the conventional and large-size ZSM-22 zeolites. After the product distribution analysis, it is evident that the fewer Si–OH defect sites and the correspondingly strict confinement environment effectively limit the formation of the multibranched intermediates prone to crack, which ultimately improves the hydroisomerization performance, intrinsically reflecting the shape selectivity of the 10-membered ring zeolite by eliminating the interference of the framework defect sites. This work emphasizes the exceptional hydroisomerization performance of the ZSM-22 zeolite, highlighting the significance of its efficient synthesis and wide application.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"996–1010 996–1010"},"PeriodicalIF":3.2,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436364","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}
{"title":"Comparative Analysis of the Compression Performance of Polymorphic D-Mannitol Using a Multidimensional Framework","authors":"Zhe Li, Yanlin Xiao, Weifeng Zhu, Qiong Li, Zhengji Jin, Abid Naeem, Lingyu Yang, Yongmei Guan, Yanni Wu, Mingyi Yuan, Danchen Yan and Liangshan Ming*, ","doi":"10.1021/acs.cgd.4c0162810.1021/acs.cgd.4c01628","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01628https://doi.org/10.1021/acs.cgd.4c01628","url":null,"abstract":"<p >The purpose of this study was to conduct a comprehensive, multidimensional measurement and comparison of polymorphic mannitol in order to gain a deeper understanding of its polymorphism. The morphology, density, flowability, tabletability, disintegrability, and dissolution behavior of different polymorphic forms of mannitol were first compared. Then, the differences in tabletability, disintegrability, and dissolution behavior of the polymorphs were further elucidated via nanoindentation, atomic force microscopy (AFM), and cryo-scanning electron microscopy (cryo-SEM). Measurements of density, particle size, angle of repose, and texture parameters indicated that β-mannitol exhibited a lower cohesive index and cake strength, resulting in superior flowability. Nanoindentation and tensile strength data showed that δ-mannitol demonstrated a greater plastic deformation energy, leading to enhanced tabletability. Cryo-SEM and disintegration studies revealed that tablets containing α-mannitol had the loosest surface structure and the shortest disintegration time, although the roughness of the particle surface negatively impacted disintegration. <i>In vitro</i> release and AFM results showed that β-mannitol had weaker binding interactions with drug particles and exhibited a stronger release effect on curcumin. This comprehensive comparison of polymorphic mannitol enhances our understanding of its properties and supports its potential application in solid dosage forms, providing a reference for further exploration in other fields.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"1224–1236 1224–1236"},"PeriodicalIF":3.2,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436365","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}