東華大學圖書館 |

語系: 繁體中文

說明(常見問題)

回圖書館首頁

手機版館藏查詢

登入

回首頁

切換: 標籤 | MARC模式 | ISBD

Investigating Color Additive Molecul...

Mohen, Jacqueline C.

FindBook

Google Book

Amazon

博客來

Investigating Color Additive Molecules for Pharmaceutical and Cosmetic Applications: A Comparison of Theoretical and Experimental UV-Visible Absorbance Spectra in Tunable Solvents.

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Investigating Color Additive Molecules for Pharmaceutical and Cosmetic Applications: A Comparison of Theoretical and Experimental UV-Visible Absorbance Spectra in Tunable Solvents./
作者:	Mohen, Jacqueline C.
出版者:	Ann Arbor : ProQuest Dissertations & Theses, : 2019,
面頁冊數:	373 p.
附註:	Source: Masters Abstracts International, Volume: 81-03.
Contained By:	Masters Abstracts International81-03.
標題:	Pharmaceutical sciences. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=13897191
ISBN:	9781085730686

Investigating Color Additive Molecules for Pharmaceutical and Cosmetic Applications: A Comparison of Theoretical and Experimental UV-Visible Absorbance Spectra in Tunable Solvents.
Mohen, Jacqueline C.

Investigating Color Additive Molecules for Pharmaceutical and Cosmetic Applications: A Comparison of Theoretical and Experimental UV-Visible Absorbance Spectra in Tunable Solvents. - Ann Arbor : ProQuest Dissertations & Theses, 2019 - 373 p.

Source: Masters Abstracts International, Volume: 81-03.

Thesis (M.S.)--Rowan University, 2019.

This item must not be sold to any third party vendors.

Color additive molecules have widespread applications ranging from ingestible foods and pharmaceutics to non-ingestible cosmetics and other naturally or synthetically developed consumer products available worldwide. Certification for approved use of color additives varies globally; therefore, a feasible method to analyze existing color additives or to design novel color additive molecules with enhanced or otherwise desired physicochemical properties (such as hue) is in high demand for universal adoption. The studies herein provide sufficient proof that density functional theory and time-dependent density functional theory serve as effective predictive modeling techniques for generating theoretical maximum absorbance spectral peak responsivity for a single color additive molecule structure in the virtual workspace, as well as for multiple (heterodimeric and heterotrimeric) structures represented simultaneously. Furthermore, DFT and TD-DFT can be used to analyze changes in hue attributed to structural anomalies in molecules due to tautomerism, vibronic effects, intra- or intermolecular interactions, implicit or explicit solvation effects, or charge transfer effects on the structure represented in a given solvent or in vapor phase. Advancements in computational processing make incorporation of these and similar advanced ab initio quantum chemical methods more tangible for the modern pharmaceutical or cosmetic formulator to use in perfecting batch hue.

ISBN: 9781085730686Subjects--Topical Terms:

3173021
Pharmaceutical sciences.

Investigating Color Additive Molecules for Pharmaceutical and Cosmetic Applications: A Comparison of Theoretical and Experimental UV-Visible Absorbance Spectra in Tunable Solvents.
LDR:02621nmm a2200325 4500 001 2209694
005 20191104073807.5
008 201008s2019 ||||||||||||||||| ||eng d
020 $a 9781085730686
035 $a (MiAaPQ)AAI13897191
035 $a AAI13897191
040 $a MiAaPQ $c MiAaPQ
100 1 $a Mohen, Jacqueline C. $3 3436797
245 1 0 $a Investigating Color Additive Molecules for Pharmaceutical and Cosmetic Applications: A Comparison of Theoretical and Experimental UV-Visible Absorbance Spectra in Tunable Solvents.
260 1 $a Ann Arbor : $b ProQuest Dissertations & Theses, $c 2019
300 $a 373 p.
500 $a Source: Masters Abstracts International, Volume: 81-03.
500 $a Advisor: Vaden, Timothy D.
502 $a Thesis (M.S.)--Rowan University, 2019.
506 $a This item must not be sold to any third party vendors.
506 $a This item must not be added to any third party search indexes.
520 $a Color additive molecules have widespread applications ranging from ingestible foods and pharmaceutics to non-ingestible cosmetics and other naturally or synthetically developed consumer products available worldwide. Certification for approved use of color additives varies globally; therefore, a feasible method to analyze existing color additives or to design novel color additive molecules with enhanced or otherwise desired physicochemical properties (such as hue) is in high demand for universal adoption. The studies herein provide sufficient proof that density functional theory and time-dependent density functional theory serve as effective predictive modeling techniques for generating theoretical maximum absorbance spectral peak responsivity for a single color additive molecule structure in the virtual workspace, as well as for multiple (heterodimeric and heterotrimeric) structures represented simultaneously. Furthermore, DFT and TD-DFT can be used to analyze changes in hue attributed to structural anomalies in molecules due to tautomerism, vibronic effects, intra- or intermolecular interactions, implicit or explicit solvation effects, or charge transfer effects on the structure represented in a given solvent or in vapor phase. Advancements in computational processing make incorporation of these and similar advanced ab initio quantum chemical methods more tangible for the modern pharmaceutical or cosmetic formulator to use in perfecting batch hue.
590 $a School code: 1419.
650 4 $a Pharmaceutical sciences. $3 3173021
650 4 $a Computational chemistry. $3 3350019
650 4 $a Chemistry. $3 516420
690 $a 0572
690 $a 0219
690 $a 0485
710 2 $a Rowan University. $b Pharmaceutical Sciences. $3 3436798
773 0 $t Masters Abstracts International $g 81-03.
790 $a 1419
791 $a M.S.
792 $a 2019
793 $a English
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=13897191