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Article ; Online: Recent advances in low-frequency Raman spectroscopy for pharmaceutical applications.

Bērziņš, Kārlis / Fraser-Miller, Sara J / Gordon, Keith C

2020 Volume 592, Page(s) 120034

Abstract: Low-frequency Raman (LFR) spectroscopy probes vibrational modes related to long-range order (i.e., crystallinity) that can provide unique information on the solid-state/structural characteristics among other properties. Furthermore, the recent ... ...

Abstract	Low-frequency Raman (LFR) spectroscopy probes vibrational modes related to long-range order (i.e., crystallinity) that can provide unique information on the solid-state/structural characteristics among other properties. Furthermore, the recent advancements in instrumentation (most notably, narrow wavelength band filters) and data analysis has allowed to overcome some of the previous limitations of this technique. In fact, LFR spectroscopy has now enjoyed a surge in popularity with applications found in many research areas. This mini-review article provides a comprehensive summary of established and exciting new LFR applications for pharmaceutical analysis. Aspects of the underlying theory, instrumentation and data analysis (including application of chemometric and computational techniques) are also discussed in detail.
MeSH term(s)	Pharmaceutical Preparations ; Spectrum Analysis, Raman ; Vibration
Chemical Substances	Pharmaceutical Preparations
Language	English
Publishing date	2020-11-01
Publishing country	Netherlands
Document type	Journal Article ; Review
ZDB-ID	428962-6
ISSN	1873-3476 ; 0378-5173
ISSN (online)	1873-3476
ISSN	0378-5173
DOI	10.1016/j.ijpharm.2020.120034
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Article: In Situ Monitoring of Drug Precipitation from Digesting Lipid Formulations Using Low-Frequency Raman Scattering Spectroscopy.

Salim, Malinda / Fraser-Miller, Sara J / Bērziņš, Kārlis / Sutton, Joshua J / Gordon, Keith C / Boyd, Ben J

Pharmaceutics

2023 Volume 15, Issue 7

Abstract: Low-frequency Raman spectroscopy (LFRS) is a valuable tool to detect the solid state of amorphous and crystalline drugs in solid dosage forms and the transformation of drugs between different polymorphic forms. It has also been applied to track the ... ...

Abstract	Low-frequency Raman spectroscopy (LFRS) is a valuable tool to detect the solid state of amorphous and crystalline drugs in solid dosage forms and the transformation of drugs between different polymorphic forms. It has also been applied to track the solubilisation of solid drugs as suspensions in milk and infant formula during in vitro digestion. This study reports the use of LFRS as an approach to probe drug precipitation from a lipid-based drug delivery system (medium-chain self-nanoemulsifying drug delivery system, MC-SNEDDS) during in vitro digestion. Upon lipolysis of the digestible components in MC-SNEDDS containing fenofibrate as a model drug, sharp phonon peaks appeared at the low-frequency Raman spectral region (<200 cm
Language	English
Publishing date	2023-07-17
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2527217-2
ISSN	1999-4923
ISSN	1999-4923
DOI	10.3390/pharmaceutics15071968
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Article: Exploring the Solid-State Landscape of Carbamazepine during Dehydration: A Low Frequency Raman Spectroscopy Perspective.

Remoto, Peter Iii J G / Bērziņš, Kārlis / Fraser-Miller, Sara J / Korter, Timothy M / Rades, Thomas / Rantanen, Jukka / Gordon, Keith C

Pharmaceutics

2023 Volume 15, Issue 5

Abstract: The solid-state landscape of carbamazepine during its dehydration was explored using Raman spectroscopy in the low- (-300 to -15, 15 to 300) and mid- (300 to 1800 ... ...

Abstract	The solid-state landscape of carbamazepine during its dehydration was explored using Raman spectroscopy in the low- (-300 to -15, 15 to 300) and mid- (300 to 1800 cm
Language	English
Publishing date	2023-05-18
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2527217-2
ISSN	1999-4923
ISSN	1999-4923
DOI	10.3390/pharmaceutics15051526
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Article ; Online: Optimization of methionine in inhalable High-dose Spray-dried amorphous composite particles using response surface Method, infrared and low frequency Raman spectroscopy.

Raj Adhikari, Bishal / Bērziņš, Kārlis / Fraser-Miller, Sara J / Cavallaro, Alex / Gordon, Keith C / Das, Shyamal C

International journal of pharmaceutics

2022 Volume 614, Page(s) 121446

Abstract: The influence of amino acids, other than leucine, in improving aerosolization of inhalable powders has not been widely explored. This detailed study focused on the use of methionine, another promising endogenous amino acid, in high dose spray-dried co- ... ...

Abstract	The influence of amino acids, other than leucine, in improving aerosolization of inhalable powders has not been widely explored. This detailed study focused on the use of methionine, another promising endogenous amino acid, in high dose spray-dried co-amorphous powders by investigating the influence of methionine proportion (0 - 20%
MeSH term(s)	Administration, Inhalation ; Aerosols ; Dry Powder Inhalers ; Methionine ; Particle Size ; Powders ; Spectrum Analysis, Raman
Chemical Substances	Aerosols ; Powders ; Methionine (AE28F7PNPL)
Language	English
Publishing date	2022-01-05
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	428962-6
ISSN	1873-3476 ; 0378-5173
ISSN (online)	1873-3476
ISSN	0378-5173
DOI	10.1016/j.ijpharm.2021.121446
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Article: Co-Amorphization of Kanamycin with Amino Acids Improves Aerosolization.

Adhikari, Bishal Raj / Bērziņš, Kārlis / Fraser-Miller, Sara J / Gordon, Keith C / Das, Shyamal C

Pharmaceutics

2020 Volume 12, Issue 8

Abstract: Different formulation techniques have been investigated to prepare highly aerosolizable dry powders to deliver a high dose of antibiotics to the lung for treating local infections. In this study, we investigated the influence of the co-amorphization of a ...

Abstract	Different formulation techniques have been investigated to prepare highly aerosolizable dry powders to deliver a high dose of antibiotics to the lung for treating local infections. In this study, we investigated the influence of the co-amorphization of a model drug, kanamycin, with selected amino acids (valine, methionine, phenylalanine, and tryptophan) by co-spray drying on its aerosolization. The co-amorphicity was confirmed by thermal technique. The physical stability was monitored using low-frequency Raman spectroscopy coupled with principal component analysis. Except for the kanamycin-valine formulation, all the formulations offered improved fine particle fraction (FPF) with the highest FPF of 84% achieved for the kanamycin-methionine formulation. All the co-amorphous formulations were physically stable for 28 days at low relative humidity (25 °C/<15% RH) and exhibited stable aerosolization. At higher RH (53%), even though methionine transformed into its crystalline counterpart, the kanamycin-methionine formulation offered the best aerosolization stability without any decrease in FPF. While further studies are warranted to reveal the underlying mechanism, this study reports that the co-amorphization of kanamycin with amino acids, especially with methionine, has the potential to be developed as a high dose kanamycin dry powder formulation.
Language	English
Publishing date	2020-07-30
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2527217-2
ISSN	1999-4923
ISSN	1999-4923
DOI	10.3390/pharmaceutics12080715
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Article ; Online: An Exploration of Mineral Density, Elemental and Chemical Composition of Primary Teeth in Relation to Cord-Blood Vitamin D, Using Laboratory Analysis Techniques.

Beckett, Deanna M / Vaz Viegas, Shaun / Broadbent, Jonathan M / Wheeler, Benjamin J / Bērziņš, Kārlis / Fraser-Miller, Sara J / Gordon, Keith C / Drummond, Bernadette K / Mahoney, Erin K / Loch, Carolina

Journal of bone and mineral research : the official journal of the American Society for Bone and Mineral Research

2023 Volume 38, Issue 12, Page(s) 1846–1855

Abstract: Postnatally, severe vitamin D deficiency commonly results in rickets as well as potential defects in tooth mineralization. The effects of milder deficiency on oral health outcomes later in life are still unclear. This study used micro-computed tomography ...

Abstract	Postnatally, severe vitamin D deficiency commonly results in rickets as well as potential defects in tooth mineralization. The effects of milder deficiency on oral health outcomes later in life are still unclear. This study used micro-computed tomography (μCT), energy dispersive X-ray analysis (EDX), and Raman spectroscopy to investigate mineral density, total density, and elemental composition of enamel and dentine in 63 exfoliated primary incisors from participants with known 25-hydroxyvitamin D levels (25-OHD) at birth. No differences in mineralization and chemical composition using μCT and EDX analysis were observed irrespective of 25-OHD status. Subtle structural differences were observed via Raman spectroscopy, with more crystalline enamel observed in those with sufficient 25-OHD at birth. Although subtle, the differences seen suggest further attention should be given to children with known milder levels of vitamin D deficiency in early life. © 2023 The Authors. Journal of Bone and Mineral Research published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research (ASBMR).
MeSH term(s)	Child ; Infant, Newborn ; Humans ; X-Ray Microtomography ; Vitamin D ; Vitamin D Deficiency ; Minerals ; Tooth, Deciduous ; Bone Density
Chemical Substances	Vitamin D (1406-16-2) ; Minerals
Language	English
Publishing date	2023-11-16
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	632783-7
ISSN	1523-4681 ; 0884-0431
ISSN (online)	1523-4681
ISSN	0884-0431
DOI	10.1002/jbmr.4928
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Article ; Online: Optimization of Colloidal Gold Nanoparticles on Porous Anodic Aluminum Oxide Substrates for Refractometric Sensing.

Malinovskis, Uldis / Popļausks, Raimonds / Jurkevičiu Tė, Aušrinė / Dutovs, Aleksandrs / Berzins, Karlis / Perkanuks, Vladislavs / Simka, Wojciech / Muiznieks, Indrikis / Erts, Donats / Prikulis, Juris

ACS omega

2022 Volume 7, Issue 44, Page(s) 40324–40332

Abstract: A new composite metal-insulator-metal (MIM) system consisting of exceptionally dense non-close-packed (NCP) arrays of gold or silver nanoparticles, porous anodic aluminum oxide (PAAO), and bulk aluminum substrate interacts strongly with visible light and ...

Abstract	A new composite metal-insulator-metal (MIM) system consisting of exceptionally dense non-close-packed (NCP) arrays of gold or silver nanoparticles, porous anodic aluminum oxide (PAAO), and bulk aluminum substrate interacts strongly with visible light and may become a very useful component for optical applications. The proposed MIM structure can be synthesized using accessible lithography-free chemical and physical processes (anodization and capillary force assisted colloidal particle deposition) that are suitable for the low-cost production of specialized devices. Here, we present a systematic study to determine the essential MIM structure parameters (nanoparticle size and PAAO layer thickness) for localized surface plasmon resonance (LSPR) refractometric sensing. A performance comparison was done by recording the spectra of scattered light upon angled illumination in media with different refractive indices. A clear advantage for maximizing the signal to background ratio was observed in the case of 60 and 80 nm Au nanoparticles with a PAAO thickness in a narrow range between 300 and 375 nm. Sensitivity exceeding a 200 nm peak wavelength shift per refractive index unit was found for 60 nm Au nanoparticles on approximately 500-nm-thick PAAO. The experimental observations were supported by finite-difference time-domain (FDTD) simulations.
Language	English
Publishing date	2022-10-28
Publishing country	United States
Document type	Journal Article
ISSN	2470-1343
ISSN (online)	2470-1343
DOI	10.1021/acsomega.2c05305
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Article: The influence of pH on the stability of antazoline: kinetic analysis

Bērziņš, Kārlis / Actiņš, Andris / Grante, Ilze / Nakurte, Ilva

RSC advances. 2015 Aug. 11, v. 5, no. 83

2015

Abstract: Degradation of the drug antazoline was studied in aqueous solutions by means of pH-rate profiling (pH 0–7.4). The novel approach of Runge–Kutta numerical integration in combination with multi-parameter optimisation was applied to UV-Vis spectral data to ... ...

Abstract	Degradation of the drug antazoline was studied in aqueous solutions by means of pH-rate profiling (pH 0–7.4). The novel approach of Runge–Kutta numerical integration in combination with multi-parameter optimisation was applied to UV-Vis spectral data to determine a valid kinetic model and kinetic parameters of the degradation process. The overall degradation mechanism was found to be dependent on the environmental pH. In the pH range of 3.0–7.4, the formation of the antazoline hydrolysis product (N-(2-aminoethyl)-2-(N-benzylanilino)acetamide) through three different pathways (acidic, non-catalysed, and semi-alkaline hydrolysis) was observed. In highly acidic media (pH 0–2), the degradation mechanism was found to be more complex. Although the same primary degradation product formed, a colourful (dark blue/violet) intermediate was also observed and further investigated by HPLC/TOF-MS.
Keywords	aqueous solutions ; catalytic activity ; drugs ; high performance liquid chromatography ; hydrolysis ; kinetics ; pH ; spectral analysis ; ultraviolet-visible spectroscopy
Language	English
Dates of publication	2015-0811
Size	p. 68179-68186.
Publishing place	The Royal Society of Chemistry
Document type	Article
ISSN	2046-2069
DOI	10.1039/c5ra09043a
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Solvates of Dasatinib: Diversity and Isostructurality.

Sarceviča, Inese / Grante, Ilze / Belyakov, Sergey / Rekis, Toms / Bērziņš, Kārlis / Actiņš, Andris / Orola, Liāna

Journal of pharmaceutical sciences

2016 Volume 105, Issue 4, Page(s) 1489–1495

Abstract: A series of dasatinib crystalline forms were obtained, and a hierarchical cluster analysis of their powder X-ray diffraction patterns was performed. The resulting dendrogram implies 3 structural groups. The crystal structures of several solvates ... ...

Abstract	A series of dasatinib crystalline forms were obtained, and a hierarchical cluster analysis of their powder X-ray diffraction patterns was performed. The resulting dendrogram implies 3 structural groups. The crystal structures of several solvates representing 2 of these groups were determined. The crystal structure analysis confirms the isostructurality of solvates within structural group I and suggests a correlation between solvent molecule size and trends in crystal structures within this group. In addition, the formation relationships in 2-solvent media between different dasatinib solvate groups were determined. The formation preference of solvates was found to follow the ranking group I > group III > group II.
MeSH term(s)	Antineoplastic Agents/chemistry ; Cluster Analysis ; Crystallization ; Dasatinib/chemistry ; Models, Molecular ; Powder Diffraction ; X-Ray Diffraction
Chemical Substances	Antineoplastic Agents ; Dasatinib (RBZ1571X5H)
Language	English
Publishing date	2016-04
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	3151-3
ISSN	1520-6017 ; 0022-3549
ISSN (online)	1520-6017
ISSN	0022-3549
DOI	10.1016/j.xphs.2016.01.024
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Article ; Online: Multi-technique approach for qualitative and quantitative characterization of furazidin degradation kinetics under alkaline conditions.

Bērziņš, Kārlis / Kons, Artis / Grante, Ilze / Dzabijeva, Diana / Nakurte, Ilva / Actiņš, Andris

Journal of pharmaceutical and biomedical analysis

2016 Volume 129, Page(s) 433–440

Abstract: Degradation of drug furazidin was studied under different conditions of environmental pH (11-13) and temperature (30-60°C). The novel approach of hybrid hard- and soft-multivariate curve resolution-alternating least squares (HS-MCR-ALS) method was ... ...

Abstract	Degradation of drug furazidin was studied under different conditions of environmental pH (11-13) and temperature (30-60°C). The novel approach of hybrid hard- and soft-multivariate curve resolution-alternating least squares (HS-MCR-ALS) method was applied to UV-vis spectral data to determine a valid kinetic model and kinetic parameters of the degradation process. The system was found to be comprised of three main species and best characterized by two consecutive first-order reactions. Furazidin degradation rate was found to be highly dependent on the applied environmental conditions, showing more prominent differences between both degradation steps towards higher pH and temperature. Complimentary qualitative analysis of the degradation process was carried out using HPLC-DAD-TOF-MS. Based on the obtained chromatographic and mass spectrometric results, as well as additional computational analysis of the species (theoretical UV-vis spectra calculations utilizing TD-DFT methodology), the operating degradation mechanism was proposed to include formation of a 5-hydroxyfuran derivative, followed by complete hydrolysis of furazidin hydantoin ring.
MeSH term(s)	Furagin/chemistry ; Hydrogen-Ion Concentration ; Hydrolysis ; Kinetics ; Mass Spectrometry/methods ; Spectrophotometry, Ultraviolet/methods ; Temperature
Chemical Substances	Furagin (K2R4N34Y9I)
Language	English
Publishing date	2016-09-10
Publishing country	England
Document type	Journal Article
ZDB-ID	604917-5
ISSN	1873-264X ; 0731-7085
ISSN (online)	1873-264X
ISSN	0731-7085
DOI	10.1016/j.jpba.2016.07.039
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