20 results match your criteria: "University of Connecticut. Electronic address: bodhi.chaudhuri@uconn.edu.[Affiliation]"

Manufacturing process of liposomal Formation: A coarse-grained molecular dynamics simulation.

Int J Pharm

June 2024

Department of Pharmaceutical Sciences, School of Pharmacy, University of Connecticut, Storrs CT 06269, USA; Department of Chemical & Biomolecular Engineering, University of Connecticut, Storrs, CT 06269, USA; Institute of Material Sciences (IMS), University of Connecticut, Storrs CT, 06269, USA. Electronic address:

A method of producing liposomes has been previously developed using a continuous manufacturing technology that involves a co-axial turbulent jet in co-flow. In this study, coarse-grained molecular dynamics (CG-MD) simulations were used to gain a deeper understanding of how the self-assembly process of liposomes is affected by the material attributes (such as the concentration of ethanol) and the process parameters (such as temperature), while also providing detailed information on a nano-scale molecular level. Specifically, the CG-MD simulations yield a comprehensive internal view of the structure and formation mechanisms of liposomes containing DPPC, DPPG, and cholesterol molecules.

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Numerical study of drop dynamics for inkjet based 3D printing of pharmaceutical tablets.

Int J Pharm

May 2024

Department of Pharmaceutical Sciences, University of Connecticut, USA; Department of Chemical and Biomolecular Engineering, University of Connecticut, USA; Institute of Materials Science, University of Connecticut, USA. Electronic address:

Interest in 3D printing has been growing rapidly especially in pharmaceutical industry due to its multiple advantages such as manufacturing versatility, personalization of medicine, scalability, and cost effectiveness. Inkjet based 3D printing gained special attention after FDA's approval of Spritam® manufactured by Aprecia pharmaceuticals in 2015. The precision and printing efficiency of 3D printing is strongly influenced by the dynamics of ink/binder jetting, which further depends on the ink's fluid properties.

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Studying the ssDNA loaded adeno-associated virus aggregation using coarse-grained molecular dynamics simulations.

Int J Pharm

April 2024

Department of Pharmaceutical Sciences, School of Pharmacy, University of Connecticut, Storrs, CT 06269, USA; Department of Chemical & Biomolecular Engineering, University of Connecticut, Storrs, CT 06269, USA; Institute of Material Sciences (IMS), University of Connecticut, Storrs, CT, USA. Electronic address:

The aggregation of adeno-associated viral (AAV) capsids in an aqueous environment was investigated via coarse-grained molecular dynamics (CG-MD) simulations. The primary driving force and mechanism of the aggregation were investigated with or without single-strand DNA (ssDNA) loaded at various process temperatures. Capsid aggregation appeared to involve multiple residue interactions (i.

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Large-Scale Freeze-Thaw of Protein Solutions: Study of the Relative Contributions of Freeze-Concentration and Ice Surface Area on Stability of Lactate Dehydrogenase.

J Pharm Sci

February 2023

Department of Pharmaceutical Sciences, School of Pharmacy, University of Connecticut, Storrs CT, 06269, USA; Department of Chemical & Biomolecular Engineering, University of Connecticut, Storrs, CT 06269, USA. Electronic address:

Although bulk biotherapeutics are often frozen during fill finish and shipping to improve their stability, they can undergo degradation leading to losses in biological activity during sub-optimal freeze-thaw (F/T) process. Except for a few small-scale studies, the relative contribution of various F/T stresses to the instability of proteins has not been addressed. Thus, the objective of this study was to determine the individual contributions of freeze-concentration, ice surface area, and processing time to protein destabilization at a practical manufacturing-scale.

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Computational Modeling of Fluidized Beds with a Focus on Pharmaceutical Applications: A Review.

J Pharm Sci

April 2022

Department of Pharmaceutical Sciences, University of Connecticut, Storrs, CT 06269, USA; Institute of Material Sciences, University of Connecticut, Storrs, CT 06269, USA; Department of Chemical and Biomolecular Engineering, University of Connecticut, Storrs, CT 06269, USA. Electronic address:

The fluidized bed is an essential and standard equipment in the field of process development. It has a wide application in various areas and has been extensively studied. This review paper aims to discuss computational modeling of a fluidized bed with a focus on pharmaceutical applications.

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Pharmaceutical applications of powder-based binder jet 3D printing process - A review.

Adv Drug Deliv Rev

October 2021

Department of Pharmaceutical Sciences, University of Connecticut, Storrs, CT, USA; Department of Chemical and Biomolecular Engineering, University of Connecticut, Storrs, CT, USA; Institute of Material Sciences, University of Connecticut, Storrs, CT, USA. Electronic address:

Pharmaceutical applications of the 3D printing process have recently matured, followed by the FDA approval of Spritam, the first commercial 3D printed dosage form. Due to being a new technology in the conventional dosage formulation field, there is still a dearth of understanding in the 3D printing process regarding the effect of the raw materials on the printed dosage forms and the plausibility of using this technology in dosage development beyond the conventional ways. In this review, the powder-based binder jet 3D printing (BJ3DP) process and its pharmaceutical applications have been discussed, along with a perspective of the formulation development step.

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Artificial neural networks in tandem with molecular descriptors as predictive tools for continuous liposome manufacturing.

Int J Pharm

June 2021

Department of Pharmaceutical Sciences, University of Connecticut, Storrs, CT 06269, USA; Institute of Material Sciences, University of Connecticut, Storrs, CT 06269, USA; Department of Chemical and Biomolecular Engineering, University of Connecticut, Storrs, CT 06269, USA. Electronic address:

The current study utilized an artificial neural network (ANN) to generate computational models to achieve process optimization for a previously developed continuous liposome manufacturing system. The liposome formation was based on a continuous manufacturing system with a co-axial turbulent jet in a co-flow technology. The ethanol phase with lipids and aqueous phase resulted in liposomes of homogeneous sizes.

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Impact of powder-binder interactions on 3D printability of pharmaceutical tablets using drop test methodology.

Eur J Pharm Sci

May 2021

Department of Pharmaceutical Sciences, University of Connecticut; Department of Chemical and Biomolecular Engineering, University of Connecticut; Institute of Material Sciences, University of Connecticut. Electronic address:

In this study, a pre-screening test has been developed for the binder-jet 3D printing process (BJ3DP) which has been validated using statistical analysis. The pre-screening test or drop test has been adapted from the wet granulation field and modified later on to be used for tablet manufacturing in BJ3DP. Initially, a total of eight powders and ten water-based binder solutions have been introduced in the preliminary test to understand the powder-binder interactions.

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Discrete Element Modeling (DEM) based investigation of tribocharging in the pharmaceutical powders during hopper discharge.

Int J Pharm

March 2021

Department of Pharmaceutical Sciences, University of Connecticut, Storrs, CT 06269, USA; Department of Chemical and Biomolecular Engineering, University of Connecticut, Storrs, CT 06269, USA; Institute of Material Sciences, University of Connecticut, Storrs, CT 06269, USA. Electronic address:

Triboelectric charging is defined as the phenomenon of charge transfer between two different material surfaces when they are brought into contact and separated. The focus of this research is the development of a Discrete Element Method (DEM) based simulation model to predict tribocharging during hopper discharge. Due to decreased particle-wall interactions and reduced particle wall contact times, net charges generated during hopper discharge are low.

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Molecular Dynamics Simulation to Uncover the Mechanisms of Protein Instability During Freezing.

J Pharm Sci

June 2021

Department of Pharmaceutical Sciences, School of Pharmacy, University of Connecticut, Storrs, CT, 06269, USA; Institute of Material Sciences (IMS), University of Connecticut, Storrs, CT, USA; Department of Chemical & Biomolecular Engineering, University of Connecticut, Storrs, CT 06269, USA. Electronic address:

Freezing is a common process applied in the pharmaceutical industry to store and transport biotherapeutics. Herewith, multi-scale molecular dynamics simulations of Lactate dehydrogenase (LDH) protein in phosphate buffer with/without ice formation performed to uncover the still poorly understood mechanisms and molecular details of protein destabilization upon freezing. Both fast and slow ice growing conditions were simulated at 243 K from one or two-side of the simulation box, respectively.

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Formulation design for inkjet-based 3D printed tablets.

Int J Pharm

June 2020

Department of Pharmaceutical Sciences, University of Connecticut, United States; Department of Chemical and Biomolecular Engineering, University of Connecticut, United States; Institute of Material Sciences, University of Connecticut, United States. Electronic address:

The drug loading efficiency was evaluated using a binder-jet 3D printing process by incorporating an active pharmaceutical ingredient (API) in ink, and quantifying the printability property of ink solutions. A dimensionless parameter Ohnesorge was calculated to understand the printability property of the ink solutions. A pre-formulation study was also carried out for the raw materials and printed tablets using thermal analysis and compendial tests.

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A Simplex Centroid Design to Quantify Triboelectric Charging in Pharmaceutical Mixtures.

J Pharm Sci

May 2020

Department of Pharmaceutical Sciences, University of Connecticut, Storrs, Connecticut 06269; Institute of Material Sciences, University of Connecticut, Storrs, Connecticut 06269; Department of Chemical and Biomolecular Engineering, University of Connecticut, Storrs, Connecticut 06269. Electronic address:

The present study focuses on the implementation of a modified simplex centroid statistical design to predict the triboelectrification phenomenon in pharmaceutical mixtures. Two drugs (Ibuprofen and Theophylline), 2 excipients (lactose monohydrate and microcrystalline cellulose/MCC), and 2 blender wall materials (aluminum and poly-methyl methacrylate) were studied to identify the trends in charge transfer in pharmaceutical blends. The statistical model confirmed the excipient-drug interactions, irrespective of the blender wall materials, as the most significant factor leading to reduced charging.

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Quantification of Moisture-Induced Cohesion in Pharmaceutical Mixtures.

J Pharm Sci

January 2019

Department of Pharmaceutical Sciences, University of Connecticut, Storrs, Connecticut 06269; Institute of Material Sciences, University of Connecticut, Storrs, Connecticut 06269. Electronic address:

Moisture-induced flow variabilities in pharmaceutical blends lead to multiple impediments during manufacturing of solid dosage formulations. Processing and storage humidity conditions both govern the moisture contents of the pharmaceutical mixtures and bear significant impact on the final product quality. In this study, experimentally validated discrete element method-based computational models along with statistical formalism have been implemented to develop a predictive tool for moisture-induced cohesion in binary and tertiary mixtures.

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DEM based computational model to predict moisture induced cohesion in pharmaceutical powders.

Int J Pharm

January 2018

Department of Pharmaceutical Sciences, University of Connecticut, Storrs, CT, USA; Institute of Material Sciences, University of Connecticut, Storrs, CT, USA. Electronic address:

Pharmaceutical powder flow can alter significantly based on the exposed humidity conditions, and lack of computational models to predict the same may undermine process development, optimization, and scale-up performances. A Discrete Element Model (DEM) is proposed to predict the effects of humidity on pharmaceutical powder flow by altering the cohesive forces based on granular bond numbers in simple hopper geometries. Experiments analogous to the simulations are further performed for three commonly used pharmaceutical excipients at 20%, 40% and 60% RH.

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On the role of forces governing particulate interactions in pharmaceutical systems: A review.

Int J Pharm

June 2017

Dept. of Pharmaceutical Sciences, University of Connecticut, CT 06269, USA; Institute of Materials Science, University of Connecticut, Storrs, CT 06269, USA. Electronic address:

Process understanding for designing, optimizing and scaling of pharmaceutical unit operations is fundamentally important to address concerns of high risks, monumental costs, and productivity decline in the pharmaceutical industry. This is especially important in the rapidly changing landscape of the pharmaceutical industry. Pharmaceutical processes majorly deal with multiphase, multicomponent flows, basics of which are discussed in terms of fundamental contact and non-contact forces.

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Development of a Rational Design Space for Optimizing Mixing Conditions for Formation of Adhesive Mixtures for Dry-Powder Inhaler Formulations.

J Pharm Sci

January 2017

Department of Pharmaceutical Sciences, University of Connecticut, Storrs, Connecticut 06269; Institute of Material Sciences, University of Connecticut, Storrs, Connecticut 06269. Electronic address:

The purpose of the present study was to develop guidance toward rational choice of blenders and processing conditions to make robust and high performing adhesive mixtures for dry-powder inhalers and to develop quantitative experimental approaches for optimizing the process. Mixing behavior of carrier (LH100) and AstraZeneca fine lactose in high-shear and low-shear double cone blenders was systematically investigated. Process variables impacting the mixing performance were evaluated for both blenders.

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Triboelectrification: A review of experimental and mechanistic modeling approaches with a special focus on pharmaceutical powders.

Int J Pharm

August 2016

Department of Pharmaceutical Sciences, University of Connecticut, Storrs, CT, 06269, USA; Institute of Material Sciences, University of Connecticut, Storrs, CT, 06269, USA. Electronic address:

The continuous relative motion of particles against solid surfaces in pharmaceutical manufacturing triggers multiple physio-chemical alterations generating contact charging or triboelectrification. Charged particles in manufacturing processes can actuate multiple impediments including agglomeration, segregation during flow or adhesion to process equipment. Generation of excess charge might lead to electrostatic discharges inducing severe imperilments of fire and explosions.

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Quantification of Tribocharging of Pharmaceutical Powders in V-Blenders: Experiments, Multiscale Modeling, and Simulations.

J Pharm Sci

April 2016

Department of Pharmaceutical Sciences, University of Connecticut, Storrs, Connecticut 06269; Institute of Material Sciences, University of Connecticut, Storrs, Connecticut 06269. Electronic address:

Pharmaceutical powders are very prone to electrostatic charging by colliding and sliding contacts. In pharmaceutical formulation processes, particle charging is often a nuisance and can cause problems in the manufacture of products, such as affecting powder flow, fill, and dose uniformity. For a fundamental understanding of the powder triboelectrification, it is essential to study charge transfer under well-defined conditions.

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A combined experimental and numerical approach to explore tribocharging of pharmaceutical excipients in a hopper chute assembly.

Int J Pharm

August 2015

Department of Pharmaceutical Sciences, University of Connecticut, Storrs, CT 06269, USA; Institute of Material Sciences, University of Connecticut, Storrs, CT 06269, USA. Electronic address:

Electrostatic charging via contact electrification or tribocharging refers to the process of charge transfer between two solid surfaces when they are brought into contact with each other and separated. Charging of continuous particulate flows on solid surfaces is poorly understood and has often been empirical. This study aims toward understanding the tribocharging of pharmaceutical excipients using a simplified geometry of unidirectional flow in a hopper-chute assembly.

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