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Process control of a dropwise additive manufacturing system for pharmaceuticals using polynomial chaos expansion based surrogate model

Elçin Içten, Zoltan K. Nagy, Gintaras V. Reklaitis
2015 Computers and Chemical Engineering  
The proposed process control strategy can effectively mitigate variations in the dissolution profiles due to variable dosage amounts and enable the application of the DoD system for the production of individualized  ...  In order to achieve desired product morphology, a surrogate model based on polynomial chaos expansion is developed to relate the critical process parameters to deposit morphology using dissolution data  ...  A PCE based surrogate model is developed to predict the dissolution profile of the solidified drug deposition given the temperature profile applied on the substrate.  ... 
doi:10.1016/j.compchemeng.2015.07.014 fatcat:3jkw5ugvtjbzzlpn6knefoatly

Computer-Aided Design of Cefuroxime Axetil/Cyclodextrin System with Enhanced Solubility and Antimicrobial Activity

Mizera, Szymanowska, Stasiłowicz, Siąkowska, Lewandowska, Miklaszewski, Plech, Tykarska, Cielecka-Piontek
2019 Biomolecules  
The dissolution study showed significantly improved dissolution profiles of CA–HPβCD compared to CA. HPβCD increases the antimicrobial efficacy of CA up to 4-fold compared to pure CA.  ...  The dissolution profiles of the CA and its cyclodextrin system were evaluated.  ...  Acknowledgments: The authors would like to thank Professor Irena Oszczapowicz from the Institute of Biotechnology and Antibiotics for delivering the samples of β-lactam analogs used in this scientific  ... 
doi:10.3390/biom10010024 pmid:31878057 pmcid:PMC7023374 fatcat:6nv6urteijf6zbq2462ki3tlge

Polyelectrolyte Matrices in the Modulation of Intermolecular Electrostatic Interactions for Amorphous Solid Dispersions: A Comprehensive Review

Anastasia Tsiaxerli, Anna Karagianni, Andreas Ouranidis, Kyriakos Kachrimanis
2021 Pharmaceutics  
Moreover, they not only enhance drug dissolution, but they have also been used for maintaining supersaturation, especially in the case of weakly basic drugs that tend to precipitate in the intestine.  ...  Polyelectrolyte polymers have been widely used in the pharmaceutical field as excipients to facilitate various drug delivery systems.  ...  In addition, the dissolution profile of probucol in neutral solutions was remarkably enhanced due to these intermolecular interactions, in comparison to the binary mixtures without saccharin [125] .  ... 
doi:10.3390/pharmaceutics13091467 pmid:34575543 fatcat:2pwicvuwzvfqbiysldeizgmwji

Application of neural networks in the identification of pharmaceutical lead hits

Khanal Pukar, Hullatti Kiran Kumar
2022 Journal of Applied Pharmaceutical Science  
, and toxicity profiling, and its application in modern drug discovery.  ...  Also, for medicinal chemists, it may act as an effective tool to pick lead hit and predict the 3D protein confirmation to evaluate the effectiveness of the selected lead hit.  ...  APPLICATION IN MODERN DRUG DISCOVERY ANNs are defined as "digitalized models of the brain" as they are complex; utilize the nonlinear relationship; and the basic anatomy is similar to the human neurons  ... 
doi:10.7324/japs.2022.120302 fatcat:wlylgzlj4zbw3o7nqwrk6gz4hq

Clotrimazole–cyclodextrin based approach for the management and treatment ofCandidiasis– A formulation and chemistry-based evaluation

Noorullah Naqvi Mohammed, Pankaj Pandey, Nayaab S. Khan, Khaled M. Elokely, Haining Liu, Robert J. Doerksen, Michael A. Repka
2015 Pharmaceutical development and technology (Print)  
Computational molecular modeling was performed using the Schrödinger suite and Gaussian 09 program to understand structural conformations of the complex.  ...  Clotrimazole (CT) is a poorly soluble antifungal drug that is most commonly employed as a topical treatment in the management of vaginal candidiasis (VCD).  ...  The dissolution data was fit to various kinetic models to understand the release mechanism involved. The drug release from Gel A followed zeroorder kinetics with a 24 hr release constant of 0.008.  ... 
doi:10.3109/10837450.2015.1041041 pmid:25923135 pmcid:PMC4967561 fatcat:oka4cabd4zgafgp2cz2m7y3hgu


Amir A. Shaikh, Praveen D. Chaudhari, Sagar S. Holkar
2017 International Journal of Pharmacy and Pharmaceutical Sciences  
</p><p><strong>Methods: </strong>Physical mixtures of a drug and polymers in different weight ratios (1:1, 1:2, 1:4) were prepared to study the effect of individual polymers on solubility of ETO.  ...  Spray drying method was used to investigate the combined effect of PVP K30 and HPB on saturation solubility (SS), Dissolution efficiency (DE) and mean dissolution time (MDT) of ETO.  ...  ACKNOWLEDGEMENT The authors are thankful to the SCES's, Indira College of pharmacy, Pune for providing necessary facility and infrastructure to conduct this research work.  ... 
doi:10.22159/ijpps.2017v9i2.16087 fatcat:s7vk64ldnnhxvnhjyvrk5irbtm

Enthalpy–Entropy Compensation in the Structure-Dependent Effect of Nonsteroidal Anti-inflammatory Drugs on the Aqueous Solubility of Diltiazem

Takatoshi Kinoshita, Chihiro Tsunoda, Satoru Goto, Kanji Hasegawa, Hitoshi Chatani, Momoko Fujita, Hikaru Kataoka, Yuta Katahara, Yohsuke Shimada, Yuta Otsuka, Kazushi Komatsu, Hiroshi Terada
2022 Chemical and pharmaceutical bulletin  
The results demonstrated that enthalpy-entropy compensation plays a key role in the dissolution of drug mixtures and that relevant thermodynamic conditions should be considered.  ...  Therefore, we need to clarify the mechanism of changes of water solubility of drugs through the physicochemical interactions.  ...  As the solubility of IDM in IDM/LDC mixtures has been observed to be higher than that in neat IDM, the ionic liquid model should be considered for mixtures of weakly acidic and weakly basic drugs.  ... 
doi:10.1248/cpb.c21-00834 pmid:35110432 fatcat:42cwhlx6r5b55f6rg3xydbjk5m

Application of Deep Neural Networks as a Prescreening Tool to Assign Individualized Absorption Models in Pharmacokinetic Analysis

Mutaz M. Jaber, Burhaneddin Yaman, Kyriakie Sarafoglou, Richard C. Brundage
2021 Pharmaceutics  
Ten thousand profiles were simulated for each of the three aforementioned shapes and used for training the DNN algorithm with a 30% hold-out validation set.  ...  The aim of this study is to demonstrate that a deep neural network (DNN) can be used to prescreen data and assign an individualized absorption model consistent with either a first-order, Erlang, or split-peak  ...  Data Availability Statement: Data sharing not applicable. Conflicts of Interest: The authors declare no conflict of interest.  ... 
doi:10.3390/pharmaceutics13060797 pmid:34073609 fatcat:nk7cv4vmmrh5na7nu3xs65uc5e

Time-Gated Raman Spectroscopy for Quantitative Determination of Solid-State Forms of Fluorescent Pharmaceuticals

Tiina Lipiäinen, Jenni Pessi, Parisa Movahedi, Juha Koivistoinen, Lauri Kurki, Mari Tenhunen, Jouko Yliruusi, Anne M. Juppo, Jukka Heikkonen, Tapio Pahikkala, Clare J. Strachan
2018 Analytical Chemistry  
Time-gated Raman spectroscopy with a 128 × (2) × 4 CMOS SPAD detector was applied for quantitative analysis of ternary mixtures of solid-state forms of the model drug, piroxicam (PRX).  ...  Time-gating provides an instrument-based method for rejecting fluorescence through temporal resolution of the spectral signal and allows Raman spectra of fluorescent materials to be obtained.  ...  All predictive models were trained with the Python-based machine learning software library RLScore. 19 RLS with a Gaussian kernel was built as the prediction model.  ... 
doi:10.1021/acs.analchem.8b00298 pmid:29513001 pmcid:PMC6150637 fatcat:kvvskwaxkvfglfjye5iohha6qe

Triethanolamine Stabilization of Methotrexate-β-Cyclodextrin Interactions in Ternary Complexes

Jahamunna Barbosa, Ariana Zoppi, Mario Quevedo, Polyanne de Melo, Arthur de Medeiros, Letícia Streck, Alice de Oliveira, Matheus Fernandes-Pedrosa, Marcela Longhi, Arnóbio da Silva-Júnior
2014 International Journal of Molecular Sciences  
Experiments using 2D ROESY and molecular modeling studies revealed the inclusion of aromatic ring III of the drug into β-CD cavity, in which TEA contributes by intensifying MTX interaction with β-CD and  ...  The interaction of methotrexate (MTX) with beta-cyclodextrin (β-CD) in the presence of triethanolamine (TEA) was investigated with the aim to elucidate the mechanism whereby self-assembly cyclodextrin  ...  Acknowledgments The authors wish to thank to Brazilian Agencies CNPq (grant number: 479195/2008; 483073/2010-5) and CAPES (Scholarship of J.A.A. Barbosa, P.N. de Melo, L. Streck, A.R.  ... 
doi:10.3390/ijms150917077 pmid:25257529 pmcid:PMC4200828 fatcat:yqiaaddu6rb3pjp7uuj5lyk5ha

Development and evaluation of lafutidine solid dispersion via hot melt extrusion: Investigating drug-polymer miscibility with advanced characterisation

Ritesh Fule, Purnima Amin
2014 Asian Journal of Pharmaceutical Sciences  
Solid dispersion Hot melt extrusion Dissolution rate Raman spectroscopy Atomic force microscopy a b s t r a c t In current study, immediate release solid dispersion (SD) formulation of antiulcer drug lafutidine  ...  The authors are thankful to S.A.I.F. department at Indian Institute of Technology, Mumbai for Raman and 1HeCOSY NMR experimental help and analyses.  ...  Acknowledgments The author is also thankful to UGC (SAP) for providing the research fellowship and Institute of Chemical Technology, ELITE status (Mumbai, India) for providing all facilities and guidance  ... 
doi:10.1016/j.ajps.2013.12.004 fatcat:p3nefvq6wreldlbgexxpzj7kni

Cross-linked chitosan/liposome hybrid system for the intestinal delivery of quercetin

Carla Caddeo, Octavio Díez-Sales, Ramon Pons, Claudia Carbone, Guido Ennas, Giovanni Puglisi, Anna Maria Fadda, Maria Manconi
2016 Journal of Colloid and Interface Science  
system represents a promising combination of nanovesicles and chitosan for 13 the delivery of quercetin to the intestine in the therapy of oxidative stress/inflammation related 14 disorders. 15 16 17  ...  To increase its bioavailability and optimize its release in the intestine, a hybrid 3 system made of liposomes coated with cross-linked chitosan, named TPP-chitosomes, was 4 developed and characterized  ...  The lines correspond to the best fits of Gaussian bilayer models: see the text for details on the fitting. Fig. 3 . 3 X-ray diffractograms of raw components, physical mixture and TPP-chitosomes.  ... 
doi:10.1016/j.jcis.2015.09.013 pmid:26397912 fatcat:mxq3purqhzf7xcdencgvftfjiy

Enhanced pharmacological efficacy of sumatriptan due to modification of its physicochemical properties by inclusion in selected cyclodextrins

Magdalena Paczkowska, Mikołaj Mizera, Kinga Sałat, Anna Furgała, Piotr Popik, Justyna Knapik-Kowalczuk, Anna Krause, Daria Szymanowska-Powałowska, Zbigniew Fojud, Maciej Kozak, Marian Paluch, Judyta Cielecka-Piontek
2018 Scientific Reports  
The inclusion of sumatriptan in complex with cyclodextrins was found to significantly modify its dissolution profiles by increasing the concentration of sumatriptan in complexed form in an acceptor solution  ...  The only specific anti-migraine drugs, i.e. triptans, effectively relieve migraine pain but their use is often limited by adverse effects, time-and frequency-restricted application and the risk of developing  ...  The in vivo part of this work was financially supported by the statutory funds K/ZDS/006281 of the Faculty of Health Sciences, Jagiellonian University Medical College.  ... 
doi:10.1038/s41598-018-34554-w fatcat:2ai7eveqbvh5xm33hs3skp4zqi

Decision Support Systems for Pharmaceutical Formulation Development Based on Artificial Neural Networks [chapter]

Aleksander Mendyk, Renata Jachowicz
2010 Decision Support Systems  
The neural model was constructed to predict dissolution profile of various drugs, in regard to the solid dispersion (SD) quantitative and qualitative composition as well as SD preparation technology.  ...  This meant that DSS recommended the same SD composition to achieve particular drug dissolution profile, which was in fact a true source of this profile described in the publication.  ...  The applications of DSS cover many domains, ranging from aviation monitoring, transportation safety, clinical diagnosis, weather forecast, business management to internet search strategy.  ... 
doi:10.5772/39468 fatcat:vpbpub4gnrcvfbtqpgfotjo33a

Machine Learning Model for Nutrient Release from Biopolymers Coated Controlled-Release Fertilizer

Sayed Ameenuddin Irfan, Babar Azeem, Kashif Irshad, Salem Algarni, KuZilati KuShaari, Saiful Islam, Mostafa A. H. Abdelmohimen
2020 Agriculture  
In this study, a machine learning model is developed utilizing Gaussian process regression to predict the nutrient release time from biopolymer coated CRF with the input parameters consisting of diffusion  ...  The developed model can be utilized to study the nutrient release profile of different biopolymers'-coated controlled-release fertilizers.  ...  However, the utilization of these models in practical applications is limited to complex population statistics.  ... 
doi:10.3390/agriculture10110538 fatcat:mgx6tczqrzgnhaubdg7ish2die
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