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There is widespread use of ionization sources (ambient and non-ambient) for a variety of applications. More recently, charged microdroplets generated by electrospray ionization and paper spray have been used to conduct chemistry at faster rates compared to bulk volumes. Uncharged droplets such as those generated by the Leidenfrost technique have also been used to explore chemistry and study the degradation of drugs in an accelerated manner. These microdroplets serve as reaction vessels in which in which some reactions are known to occur at accelerated rates. Such chemistry can be particularly useful in pharmaceutical settings to rapidly synthesize small amounts of materials in relatively short amount of time. Additionally, microdroplets may also be used to perform high throughput screening analysis. While several parameters influencing the rate of reaction in microdroplets have been explored (such as spray distance and reagent concentration), the mechanism of reaction acceleration has not been probed to a significant extent. A major portion of my dissertation describes the use of charged and uncharged microdroplets to perform quick chemistry, guide microfluidic synthesis of drugs such as diazepam, perform scale up of copper catalyzed C-O and C-N coupling reactio<a></a>ns and screen reaction conditions for pharmaceutically relevant reactions such as the Suzuki cross-coupling reaction. Additionally, work discussed here also describes development and use of existing techniques such as structured illumination microscopy to measure droplet sizes, explore the role of distances on droplet size, and study the effect of surfactants on the rate of reactions in microdroplets generated by nano-electrospray ionization. A mathematical model to understand the mechanism of increased reaction rates in microdroplets has also been presented. Additionally, this dissertation also describes ways to manipulate ions in air using various designs of 3D-printed electrodes that operate with DC potentials only and which can be easily coupled with nano-electrospray ionization sources to transmit ions over long distances

<p>U okviru disertacije ispitani su i upoređeni pokazatelji kvaliteta integralnog p&scaron;eničnog i integralnog heljdinog bra&scaron;na dobijenog mlevenjem netretiranih (netretirano integralno heljdino bra&scaron;no) i autoklaviranih zrna heljde (autoklavirano integralno heljdino bra&scaron;no). Nakon ispitivanja nutritivnih i funkcionalnih svojstava pomenutih bra&scaron;na, kreirane su i proizvedene integralne taljatele sa različitim sadržajem integralnog heljdinog bra&scaron;na (10&ndash;30%).<br />Pokazatelji senzorskog, nutritivnog i funkcionalnog kvaliteta proizvedenih taljatela sa integralnim heljdinim bra&scaron;nima ispitani su u poređenju sa kontrolnim uzorkom taljatela od integralnog p&scaron;eničnog bra&scaron;na.<br />U ispitivanim uzorcima bra&scaron;na i taljatela određeni su osnovni hemijski sastav, sadržaj mineralnih materija, sadržaj ukupnih rastvorljivih polifenola, utvrđen je kvalitativni i kvantitativni sastav polifenolnih jedinjenja, ispitana je antiradikalska aktivnost na DPPH˙ i određen je sadržaj fitinske kiseline i 5-hidroksimetilfurfural.<br />Pored analize nutritivnih i funkcionalnih svojstava, na taljatelama su sprovedena ispitivanja fizičkih osobina (dimenzije) i svojstva taljatela pri kuvanju. Instrumentalno su izmereni boja i teksturna svojstva nekuvanih i kuvanih taljatela. Senzorska ocena taljatela sprovedena je uz primenu panela utreniranih ocenjivača, metodom bodovanja i panela potro&scaron;ača, testom dopadljivosti.<br />Dobijeni rezultati ukazuju da se supstitucijom dela integralnog p&scaron;eničnog bra&scaron;na integralnim heljdinim bra&scaron;nom (autoklaviranim ili netretiranim) postiže unapređenje nutritivnog i funkcionalnog profila uzoraka obogaćenih taljatela, uz manje ili vi&scaron;e izraženo naru&scaron;avanje senzorskog profila, u zavisnosti od stepena supstitucije i vrste integralnog heljdinog bra&scaron;na.</p> / <p>This study investigated quality parameters of wholegrain wheat flour and wholegrain buckwheat flour from non-treated buckwheat grains (non-treated wholegrain buckwheat flour) and autoclaved buckwheat grains (autoclaved wholegrain buckwheat flour). After investigation of nutritional and functional properties of aforementioned flours, new wholegrain tagliatelle formulations, with different wholegrain buckwheat flour content (10&ndash;30%) have been developed.<br />Sensory, nutritional and functional quality parameters of buckwheat containing tagliatelle samples were analysed and compared with control tagliatelle sample from wholegrain wheat flour.<br />Proximate composition, content of minerals, content of total polyphenols and quantitative and qualitative composition of polyphenols were investigated in both, flour samples and produced uncooked and cooked tagliatelle samples. Antiradical activity on DPPH radicals, and content of less favourable compounds, phytic acid and HMF, have been tested, as well.<br />Tagliatelle physical properties, dimensions, cooking properties, colour and textural properties were determined by instrumental and sensory methods. Tagliatelle acceptability was evaluated by the consumers. The obtained results indicate that wholegrain buckwheat flour (autoclaved or non-treated) incorporation into tagliatelle formulation led to an improvement of nutritional and functional profiles of tagliatelle samples, followed by greater or lesser deterioaration of sensory profile, depending on substitution level and type of wholegrain buckwheat flour.</p>

<p>Сензорска анализа представља јединствено средство за праћење органолептичких својстава хране уз примјену људских чула, јер је најближа потрошачкој оцјени и уједно веома поуздан тест у пружању свеобухвтане оцјене квалитета прехрамбеног производа. Она представља најважнију референцу наспрам резултата добијених хемијским или инструменталним методима и њиховим поређењем омогућује прихватање, одабир или побољшање било којег другог метода.<br />Имајући у виду сву комплексност текстурних својстава тјестенине, као и важност објективизације појединих њених сегмената у циљу задовољења тржишта, праћења производње и задовољења важећих одредби правилника и прописа, у овом раду спроведена је објективна сензорска оцјена одабраних текстурних својстава тјестенине, као и њихова оцјена примјеном инструменталних метода.<br />Испитивања су спроведена на комерцијалним узорцима сушене тјестенине облика шпагете, поријеклом од домаћих и страних произвођача, најчешће присутних у већим тржним центрима наше земље. Поред анализе хемијског састава и својстава при кувању, на формираном сету узорака шпагета спроведена су испитивања одабраних текстурних својстава сушених и куваних облика примјеном сензорске оцјене и инструменталних одређивања.<br />Упркос добрим слагањима резултата добијених инструменталних одређивањим и сензорском оцјеном од стране панела одабраних оцјењивача, дошло се до закључка да поједини инструментални методи могу наћи добру примјену у предикцији објективне сензорске оцјене појединих текстурних својстава и тиме допринијети побољшању квалитета тјестенине облика шпагета током технолошког процеса производње, али да не могу безрезервно бити прихваћени као алтернатива објективној сензорској оцјени у предикцији потрошачке прихватљивости овог прехрамбеног производа на тржишту.</p> / <p>Senzorska analiza predstavlja jedinstveno sredstvo za praćenje organoleptičkih svojstava hrane uz primjenu ljudskih čula, jer je najbliža potrošačkoj ocjeni i ujedno veoma pouzdan test u pružanju sveobuhvtane ocjene kvaliteta prehrambenog proizvoda. Ona predstavlja najvažniju referencu naspram rezultata dobijenih hemijskim ili instrumentalnim metodima i njihovim poređenjem omogućuje prihvatanje, odabir ili poboljšanje bilo kojeg drugog metoda.<br />Imajući u vidu svu kompleksnost teksturnih svojstava tjestenine, kao i važnost objektivizacije pojedinih njenih segmenata u cilju zadovoljenja tržišta, praćenja proizvodnje i zadovoljenja važećih odredbi pravilnika i propisa, u ovom radu sprovedena je objektivna senzorska ocjena odabranih teksturnih svojstava tjestenine, kao i njihova ocjena primjenom instrumentalnih metoda.<br />Ispitivanja su sprovedena na komercijalnim uzorcima sušene tjestenine oblika špagete, porijeklom od domaćih i stranih proizvođača, najčešće prisutnih u većim tržnim centrima naše zemlje. Pored analize hemijskog sastava i svojstava pri kuvanju, na formiranom setu uzoraka špageta sprovedena su ispitivanja odabranih teksturnih svojstava sušenih i kuvanih oblika primjenom senzorske ocjene i instrumentalnih određivanja.<br />Uprkos dobrim slaganjima rezultata dobijenih instrumentalnih određivanjim i senzorskom ocjenom od strane panela odabranih ocjenjivača, došlo se do zaključka da pojedini instrumentalni metodi mogu naći dobru primjenu u predikciji objektivne senzorske ocjene pojedinih teksturnih svojstava i time doprinijeti poboljšanju kvaliteta tjestenine oblika špageta tokom tehnološkog procesa proizvodnje, ali da ne mogu bezrezervno biti prihvaćeni kao alternativa objektivnoj senzorskoj ocjeni u predikciji potrošačke prihvatljivosti ovog prehrambenog proizvoda na tržištu.</p> / <p>Sensory analysis represents the unique tool for determination of organoleptic properties of food using human senses, because it is highly correlated with the consumers&rsquo; opinion. At the same time it is very reliable test for obtaining the comprehensive evaluation of foodstuffs quality. Moreover, the sensory analysis is the most important reference versus the results of chemical or instrumental methods, and their comparison enables adoption of any other method used for determination of sensory properties. Bearing in mind the complexity of the textural properties of pasta and the significance of objectivity of its methodology, this thesis conducted the objective evaluation of selected sensory textural properties of pasta and their evaluation by the instrumental methods as well. Nine commercial spaghetti samples produced by foreign and domestic producers were chosen for the study. The selected textural properties of dry and cooked spaghetti determined by sensory and instrumental methods comprised shape. The obtain results showed that applied instrumental methods provided reliable prediction of the objective sensory evaluation of certain spaghetti textural properties. Thus, their use may contribute to the improvement of spaghetti quality during production process. Despite the good agreement between the results obtained by instrumental and sensory methods, the instrumental methods could not be unconditionally accepted as the alternative to sensory evaluation in predicting consumers&rsquo; acceptance of spaghetti on the market.</p>

O presente trabalho aborda a interação entre a utilização do Méthode pour la Guitare (1830) de Fernando Sor com o processo de construção de interpretação da Sonata op. 25, do mesmo autor. O trabalho foi norteado pela hipótese de associação entre as concepções técnicas e composicionais de Sor, articuladas em seu Método, e sua correspondente tradução em sua escrita violonística. Através desse cotejo, traçaram-se claras possibilidades de associação, e concluiu-se positivamente na utilização do Método como ferramenta complementar na interpretação da música de Fernando Sor. / The present work concerns the interaction between the use of the Méthode pour la guitare (1830) by Fernando Sor and the process of constructing an interpretation for the Sonata op. 25, by the same author. The work‟s main hypothesis was the association between technical and compositional conceptions of Sor, displayed in his Method, and their correspondent translation into his guitar compositional writing. Through this association, clear relationships were established and the work was conclusive on the positive use of the Method as a complementary tool for the interpretation of Fernando Sor‟s music. / El presente trabajo aborda la interacción entre la utilización del Méthode pour la guitare (1830) de Fernando Sor con el proceso de construcción de una interpretación para la Sonata op. 25, del mismo autor. La hipótesis del trabajo fue la asociación entre las concepciones técnicas y compositivas de Sor, articuladas en su Método, y su correspondiente traducción en su escritura guitarrística. Por medio de este cotejo, se trazaron claras posibilidades de asociación, y se concluyó positivamente por el uso del Método como herramienta complementaria en la interpretación de la música de Fernando Sor.

O presente trabalho aborda a interação entre a utilização do Méthode pour la Guitare (1830) de Fernando Sor com o processo de construção de interpretação da Sonata op. 25, do mesmo autor. O trabalho foi norteado pela hipótese de associação entre as concepções técnicas e composicionais de Sor, articuladas em seu Método, e sua correspondente tradução em sua escrita violonística. Através desse cotejo, traçaram-se claras possibilidades de associação, e concluiu-se positivamente na utilização do Método como ferramenta complementar na interpretação da música de Fernando Sor. / The present work concerns the interaction between the use of the Méthode pour la guitare (1830) by Fernando Sor and the process of constructing an interpretation for the Sonata op. 25, by the same author. The work‟s main hypothesis was the association between technical and compositional conceptions of Sor, displayed in his Method, and their correspondent translation into his guitar compositional writing. Through this association, clear relationships were established and the work was conclusive on the positive use of the Method as a complementary tool for the interpretation of Fernando Sor‟s music. / El presente trabajo aborda la interacción entre la utilización del Méthode pour la guitare (1830) de Fernando Sor con el proceso de construcción de una interpretación para la Sonata op. 25, del mismo autor. La hipótesis del trabajo fue la asociación entre las concepciones técnicas y compositivas de Sor, articuladas en su Método, y su correspondiente traducción en su escritura guitarrística. Por medio de este cotejo, se trazaron claras posibilidades de asociación, y se concluyó positivamente por el uso del Método como herramienta complementaria en la interpretación de la música de Fernando Sor.

O presente trabalho aborda a interação entre a utilização do Méthode pour la Guitare (1830) de Fernando Sor com o processo de construção de interpretação da Sonata op. 25, do mesmo autor. O trabalho foi norteado pela hipótese de associação entre as concepções técnicas e composicionais de Sor, articuladas em seu Método, e sua correspondente tradução em sua escrita violonística. Através desse cotejo, traçaram-se claras possibilidades de associação, e concluiu-se positivamente na utilização do Método como ferramenta complementar na interpretação da música de Fernando Sor. / The present work concerns the interaction between the use of the Méthode pour la guitare (1830) by Fernando Sor and the process of constructing an interpretation for the Sonata op. 25, by the same author. The work‟s main hypothesis was the association between technical and compositional conceptions of Sor, displayed in his Method, and their correspondent translation into his guitar compositional writing. Through this association, clear relationships were established and the work was conclusive on the positive use of the Method as a complementary tool for the interpretation of Fernando Sor‟s music. / El presente trabajo aborda la interacción entre la utilización del Méthode pour la guitare (1830) de Fernando Sor con el proceso de construcción de una interpretación para la Sonata op. 25, del mismo autor. La hipótesis del trabajo fue la asociación entre las concepciones técnicas y compositivas de Sor, articuladas en su Método, y su correspondiente traducción en su escritura guitarrística. Por medio de este cotejo, se trazaron claras posibilidades de asociación, y se concluyó positivamente por el uso del Método como herramienta complementaria en la interpretación de la música de Fernando Sor.

New experimental strategies and algorithmic approaches were devised and tested to improve the analysis of pharmaceutically relevant materials. These new methods were developed to address key bottlenecks in the design of amorphous solid dispersions for the delivery of low-solubility active pharmaceutical ingredients in the final dosage forms exhibiting high bioavailability. <br>

A thorough understanding of pharmaceutical and therapeutic products and materials is important for an improved quality of life. By probing the complex behaviors and properties of these systems, new insights can allow for a better understanding of current treatments, improved design and synthesis of new drug products, and the development of new treatments for various health conditions. Often, the impact of these new insights are limited by current technology and instrumentation and by the methods in which existing data is processed. Additionally, current standards for characterization of pharmaceuticals and therapeutics are time-consuming and can delay the timeline in which these products become available to the consumer. By addressing the limitations in current instrumentation and data science methods, faster and improved characterization is possible.<div><br></div><div>Development and improvement in optical instrumentation provides potential solutions to the current limitations of characterization methods by conventional instrumentation. Limitations in speed can be addressed through the use of nonlinear optical (NLO) methods, such as second harmonic generation (SHG) and two-photon excited ultraviolet fluorescence (TPE-UVF) microscopy, or by linear methods such as fluorescence recovery after photobleaching (FRAP). For these methods, a high signal-to-noise ratio (SNR) and a nondestructive nature decrease the overall sample size requirements and collections times of these methods. Furthermore, by combination of these optical techniques with other techniques, such as thermal analysis (e.g. differential scanning calorimetry (DSC)), polarization modulation, or patterned illumination, the collection of more complex and higher quality data is possible while retaining the improved speed of these methods. Thus, this modified instrumentation can allow for improved characterization of properties such as stability, structure, and mobility of pharmaceutical and therapeutic products.<br></div><div><br></div><div>With an increase in data quantity and complexity, improvements to existing methods of analysis, as well as development of new data science methods, is essential. Machine learning (ML) architectures and empirically validated models for the analysis of existing data can provide improved quantification. Using the aforementioned optical instrumentation, auto-calibration of data acquired by SHG microscopy is one such method in which quantification of sample crystallinity is enabled by these ML and empirical models. Additionally, ML approaches utilizing generative adversarial networks (GANs) are able to improve on identification of data tampering in order to retain data security. By use of GANs to tamper with experimentally collected and/or simulated data used in existing spectral classifiers, knowledge of adversarial methods and weakness in spectral classification can be ascertained. Likewise, perturbations in physical illumination can be used to ascertain information on classification of real objects by use of GANs. Use of this knowledge can then be used to prevent further data tampering or by improving identification of data tampering.<br></div>