Co-Crystallization Approach to Enhance the Stability of Moisture-Sensitive Drugs

Pharmaceutics, Год журнала: 2023, Номер 15(1), С. 189 - 189

Опубликована: Янв. 5, 2023

Stability is an essential quality attribute of any pharmaceutical formulation. Poor stability can change the color and physical appearance a drug, directly impacting patient's perception. Unstable drug products may also face loss active ingredients (APIs) degradation, making medicine ineffective toxic. Moisture content known to be leading cause degradation nearly 50% medicinal products, impurities in solid dose formulations. The polarity atoms API surface chemistry particles majorly influence affinity towards water molecules. induces chemical reactions, including free that has been identified as important factor determining product stability. Among various approaches, crystal engineering specifically co-crystals, have proven ability increase moisture-sensitive APIs. Other such changing salt form, lead solubility issues, thus co-crystal approach more suited enhancing hygroscopic There are many reported studies where co-crystals exhibited reduced hygroscopicity compared pure API, thereby improving product's In this review, authors focus on recent updates trends these related compounds, discuss reasons behind enhanced stability, briefly screening co-formers for drugs.

Язык: Английский

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Co-agglomerated crystals of cyclic nitramines with the nitrogen rich 3,6-bis(1H-1,2,3,4-tetrazol-5-ylamino)-1,2,4,5-tetrazine (BTATz)

Chemical Engineering Journal, Год журнала: 2024, Номер 483, С. 149029 - 149029

Опубликована: Янв. 23, 2024

Язык: Английский

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2,4,6-Triazido-1,3,5-triazine and 2,5,8-Triazido-s-heptazine as Typical Planar Layer-Stacked Molecules with Identical Substituents Surrounding the Skeleton

Crystal Growth & Design, Год журнала: 2024, Номер 24(7), С. 2734 - 2744

Опубликована: Март 19, 2024

In general, a planar molecule with identical substituents surrounding its skeleton can hardly be layer-stacked in crystal under common conditions. This is because these carry the same charge, and their close arrangement leads to intermolecular electrostatic repulsion. Exceptionally, 2,4,6-triazido-1,3,5-triazine (TATA) 2,5,8-triazido-s-heptazine (TASHA) are such molecules each three azido groups (−N3) around but still stacked pattern of layer. paper discloses underlying mechanism for exception. It found that molecular edge either TATA or TASHA not always covered by negative potentials (ESPs), different from knowledge. That is, TATA, middle N atoms −N3 positively charged produce positive ESP parts, remaining reversely present ones; thereby, regions alternately appear on edge, satisfying necessary requirement layered stacking. Thus, seeming exception exceptional. understanding verified fit other like TASHA. Meanwhile, it alerts us carefully consider individual both when they exposed as outmost parts address interaction related issues, instead substituent whole.

Язык: Английский

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Characteristics of planar and planar layer-stacked CHON-containing molecules

CrystEngComm, Год журнала: 2024, Номер 26(5), С. 713 - 723

Опубликована: Янв. 1, 2024

This paper unveils the characteristics of planar and layer-stacked CHON-containing molecules.

Язык: Английский

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Packing coefficient determining the packing density difference of CHON-containing isomers

Energetic Materials Frontiers, Год журнала: 2024, Номер unknown

Опубликована: Фев. 1, 2024

Packing density is a basic property of substances and acts as one important decisive factors service performances. This work focuses upon the determining packing at premise CHON-containing isomers with same chemical composition. It found that, for group isomers, molecular densities vary much less than coefficients densities, regardless significant difference structure therein. Thus, coefficient governs density, strategy based on data analysis elevating it proposed, such introduction strong dense hydrogen bonds formation internal salt. Additionally, C=O beneficial increasing while reducing energy release, thus can hardly be considered in energetics. Hopefully, this will deepen understanding offer new avenue designing high compounds.

Язык: Английский

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Deciphering melting behaviors of energetic compounds using interpretable Machine learning for melt-castable applications

Chemical Engineering Journal, Год журнала: 2023, Номер 479, С. 147392 - 147392

Опубликована: Ноя. 14, 2023

Язык: Английский

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Preparation, characterization, and evaluation of bedaquiline fumarate: ascorbic acid co-crystals with enhanced pharmaceutical and physicochemical properties

Future Journal of Pharmaceutical Sciences, Год журнала: 2025, Номер 11(1)

Опубликована: Июнь 5, 2025

Abstract Background Bedaquiline fumarate (BDQ) is an anti-tubercular Biopharmaceutics Classification System (BCS class-II) drug & it has very less solubility. Therefore, effort been made to prepare the bedaquiline co-crystal improve its physicochemical and pharmaceutical characteristics. Results Using solvent evaporation method, co-former ascorbic acid (AA) were co-crystallized. A series of analytical techniques, i.e., X-ray diffraction (XRD), Fourier transformation infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), electron microscopy (SEM), UV spectroscopy, etc., used for analysis predict formation by molecular docking. Micromeritic study tablet formulation done (1:2) batch. permeability was conducted on chicken ileum. Conclusion Active ingredients can co-crystallize with other small molecules or co-formers create new solid dosage forms that have better characteristics than pure drugs. 22 screened drug, selected as a because binding energy − 1.2 kcal/mol, two hydrogen bonds are formed, becomes readily soluble in water. This indicated increase dissolution profile co-crystallization approach.

Язык: Английский

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Simple rule for linking atoms to construct high energy isomers

Physical Chemistry Chemical Physics, Год журнала: 2023, Номер 25(15), С. 10384 - 10391

Опубликована: Янв. 1, 2023

The present work concerns a basic issue in molecular science, i.e., constructing high energy isomer with given composition. Three compositions of CH3NO2, CH4N2O2, and CH3NO3 are adopted to construct various isomers the internal calculated compared ascertain its dependence on linking order atoms. Thereby, simple rule for CHNO is summarized. separation reducing C/H atoms oxidizing O by N as well direct linkage C-C, C-H, O-O, benefits energy; other hand, O-O leads low stability, thus double atom necessary build stable energetic molecule. C-O O-H significantly weakens or diminishes activity related atoms, can be called died This expected promote screening molecules fields fuels materials.

Язык: Английский

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Crystal Packing of Planar Organic Azide Molecules

Crystal Growth & Design, Год журнала: 2024, Номер 24(10), С. 4101 - 4113

Опубликована: Апрель 24, 2024

Organic azides possess the potential for green primary explosives, gas generators, and propellants. This work focuses on crystal packing of 34 planar organic presents an understanding their properties performances. As functional group azides, –N3 is wholly weakly charged, individually, outer, middle, inner N atoms thereof are negatively, rather strongly positively, negatively respectively. weak polarity leads to intermolecular interactions, stemming from generally lower coefficients densities azide crystals, compared with some typical hydrogen bond (HB)-containing nitro compounds. mostly lonely in packing, as its outer atom seldom observed HB acceptor, acts intramolecular acceptor only one case out a total 16. Introducing strong acceptor/donor groups facilitates enhancement interaction molecular/crystal stability. Ascribed extremely low molecular stability, no evident dependence impact sensitivity stacking mode found whole azides. The top three lowest all contain dense or moderately HBs, implying that introduction could be strategy enhancing safety

Язык: Английский

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Realizing compact three-dimensional charge transport networks of asymmetric electron acceptors for efficient organic solar cells

Science China Chemistry, Год журнала: 2023, Номер 66(2), С. 508 - 517

Опубликована: Янв. 10, 2023

Язык: Английский

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