FT-IR spectra of the anti-HIV nucleoside analogue d4T (Stavudine). Solid state simulation by DFT methods and scaling by different procedures

2018 ◽  
Vol 1157 ◽  
pp. 587-601 ◽  
Author(s):  
M. Alcolea Palafox ◽  
D. Kattan ◽  
N.K. Afseth
Keyword(s):  
Solid State ◽  
Ir Spectra ◽  
Nucleoside Analogue ◽  
Dft Methods ◽  
Ft Ir ◽  
Anti Hiv

FT-IR and FT-Raman spectra of 5-fluoroorotic acid with solid state simulation by DFT methods

2014 ◽  
Vol 132 ◽  
pp. 430-445 ◽  
Author(s):  
A. Cuellar ◽  
M. Alcolea Palafox ◽  
V.K. Rastogi ◽  
W. Kiefer ◽  
S. Schlücker ◽  
...  
Keyword(s):  
Solid State ◽  
Raman Spectra ◽  
Dft Methods ◽  
Ft Ir ◽  
Fluoroorotic Acid ◽  
Ft Raman

Graft Copolymeriztion of Glycidyl Methacrylate/Styrene onto Polypropylene in Solid State

2013 ◽  
Vol 652-654 ◽  
pp. 418-422 ◽  
Author(s):  
Ying Yu Rui ◽  
Sai Sai Chen ◽  
Wen Qing Yin ◽  
Wen Ying Qi ◽  
Xiao Rong Wu ◽  
...  
Keyword(s):  
Solid State ◽  
Melting Point ◽  
Ir Spectra ◽  
Electron Donor ◽  
Reaction Temperature ◽  
Glycidyl Methacrylate ◽  
Crystallization Process ◽  
Nucleating Agent ◽  
Ft Ir ◽  
Optical Micrographs

Radical grafting of glycidyl methacrylate (GMA) onto polypropylene (PP) powder was studied in this research. The reaction temperature was below the melting point of PP so that the reaction was carried out in solid state. Styrene (St) acting as electron donor compounds was used as grafting comonomer and xylene was used as interfacial agent to swell the PP powder. The effects of monomer and comonomer concentration on the graft degree were investigated. The FT-IR spectra of the grafted PP demonstrated that GMA and St were grafted onto PP backbone successfully and the polarization optical micrographs showed that the grafted chains acted as nucleating agent and speeded up the crystallization process.

Light- or Dark-Colored, L-DOPA-Based Melanins

2018 ◽  
Author(s):  
Koen Vercruysse ◽  
Margaret M. Whalen
Keyword(s):  
Human Physiology ◽  
Ir Spectra ◽  
Immune Cells ◽  
Chemical Properties ◽  
Chemical Signature ◽  
Ft Ir

<p>This report is a continuation of previous research on the H<sub>2</sub>O<sub>2</sub>-mediated synthesis of melanin-like pigments. We synthesized and characterized L-DOPA-based pigments using air- or H<sub>2</sub>O<sub>2</sub>-mediated<sub> </sub>oxidation. We compared their physic-chemical properties and evaluated their capacity to affect the interleukin release from immune cells. The use of higher concentrations of H<sub>2</sub>O<sub>2</sub> resulted in melanin-like materials with a distinct chemical signature in their FT-IR spectra and a lighter color. All pigments enhanced the interleukin release from immune cells. The possibility that lighter-colored melanins can be generated is discussed in the context of the importance of melanin-based pigmentation in human physiology.</p>

Circular dichroism and infrared study of β-turn formation in repeat peptides of elastin

1987 ◽  
Vol 52 (5) ◽  
pp. 1356-1361
Author(s):  
S. Abdel Rahman ◽  
M. Elsafty ◽  
A. Hattaba
Keyword(s):  
Circular Dichroism ◽  
Solid State ◽  
Ir Spectra ◽  
Chain Length ◽  
Room Temperature ◽  
Infrared Study ◽  
Feature Characteristic ◽  
C 50 ◽  
The Stability ◽  
Circular Dichroïsm

The conformation of elastin-like peptides Boc-Ala-Pro-Gly-Val-APEGM, Boc-Ala-Pro-Gly-Val-Gly-Val-APEGM, Boc-Ala-Pro-Gly-Val-Ala-Pro-Gly-Val-Gly-Val-APEGM, Boc-Ala-Pro-Gly-Val-Gly-Val-Ala-Pro-Gly-Val-Gly-Val-APEGM were examined in solution using circular dichroism at 30 °C, 50 °C, and 70 °C and in solid state by IR at room temperature. The studies show that the β-turn is a significant conformational feature for peptides under investigation in solution at 30 °C and 50 °C, but at 70 °C the tetra, hexa, and decapeptides show the CD feature characteristic of the β-structure while the dodecapeptide spectra show the presence of β-turn which indicates the stability of the β-turn at this chain length. The IR spectra show that in the solid state at room temperature all investigated peptides assume essentially a β-turn except the tetrapeptide which present evidence of antiparallel β-structure. The β-turn contribution in the IR spectra increases with the increase of the chain length of the peptide.

scholarly journals Host–Guest Inclusion Complexes of Essential Oils with Strong Antibacterial and Antifungal Features in Beta-Cyclodextrin for Solid-State Pharmaceutical Applications

2021 ◽  
Vol 11 (14) ◽  
pp. 6597
Author(s):  
Aldo Arrais ◽  
Marta Manzoni ◽  
Alessia Cattaneo ◽  
Valentina Gianotti ◽  
Nadia Massa ◽  
...  
Keyword(s):  
Solid State ◽  
Essential Oil ◽  
Essential Oils ◽  
Inclusion Complexes ◽  
Production Costs ◽  
Good Tolerance ◽  
Actual Application ◽  
Beta Cyclodextrin ◽  
Ft Ir ◽  
Antibacterial And Antifungal

Essential oils are widely recognized as natural alternatives to pharmaceutical antibacterial and antifungal agents. With respect to standard pharmaceutics, the advantages of essential oils are their (i) low production costs, (ii) lack of chemical and biochemical drawbacks that are intrinsic to the synthetic production process and (iii) good tolerance by humans. On the other hand, the liquid nature of essential oils poses concerns about their actual application in different therapeutic issues regarding their persistence and the ability to control or prolong drug release. In this study, two essential oils from oregano and winter savory showing antibacterial and antifungal features were complexed in a solid state with beta-cyclodextrin. Host–guest inclusion complexes were characterized using FT-IR spectroscopy, ESI-MS and GC-MS techniques. Manyfold terpenic and non-terpenic components of the oils could be observed and unambiguously identified as being included inside the carbohydrate hosts. Many of them provided a specific biocidal action. Indeed, essential oil host–guest inclusion products were tested against two Candida species and an S. aureus reference strain, showing that the oils effectively maintained their liquid performances. Solid-state tablets of the essential oil inclusion complexes embedded in polyvinylpyrrolidone could be obtained. These results pave the way for the solid-state application of essential oils in antibacterial and antifungal pharmaceutical treatments.

scholarly journals Synthesis, Fabrication, and Characterization of Functionalized Polydiacetylene Containing Cellulose Nanofibrous Composites for Colorimetric Sensing of Organophosphate Compounds

Nanomaterials ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 1869
Author(s):  
A K M Mashud Alam ◽  
Donovan Jenks ◽  
George A. Kraus ◽  
Chunhui Xiang
Keyword(s):  
Solid State ◽  
Hydroxyl Groups ◽  
Colorimetric Sensing ◽  
Electrospinning Technique ◽  
Hazardous Chemical ◽  
Tensile Tester ◽  
Vis Spectroscopy ◽  
Ft Ir ◽  
Landmark Study

Organophosphate (OP) compounds, a family of highly hazardous chemical compounds included in nerve agents and pesticides, have been linked to more than 250,000 annual deaths connected to various chronic diseases. However, a solid-state sensing system that is able to be integrated into a clothing system is rare in the literature. This study aims to develop a nanofiber-based solid-state polymeric material as a soft sensor to detect OP compounds present in the environment. Esters of polydiacetylene were synthesized and incorporated into a cellulose acetate nanocomposite fibrous assembly developed with an electrospinning technique, which was then hydrolyzed to generate more hydroxyl groups for OP binding. Scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FT-IR), Instron® tensile tester, contact angle analyzer, and UV–Vis spectroscopy were employed for characterizations. Upon hydrolysis, polydiacetylene esters in the cellulosic fiber matrix were found unaffected by hydrolysis treatment, which made the composites suitable for OP sensing. Furthermore, the nanofibrous (NF) composites exhibited tensile properties suitable to be used as a textile material. Finally, the NF composites exhibited colorimetric sensing of OP, which is visible to the naked eye. This research is a landmark study toward the development of OP sensing in a protective clothing system.

scholarly journals Spectroscopy as a useful tool for the identification of changes with time in post-mortem vitreous humor for forensic toxicology purposes

2021 ◽  
Author(s):  
Anna Wójtowicz ◽  
Agata Mitura ◽  
Renata Wietecha-Posłuszny ◽  
Rafał Kurczab ◽  
Marcin Zawadzki
Keyword(s):  
Ir Spectra ◽  
Forensic Toxicology ◽  
Principal Component ◽  
Hierarchical Cluster ◽  
Vitreous Humor ◽  
Attenuated Total Reflection ◽  
Glass Slides ◽  
Added Benefit ◽  
Ft Ir ◽  
Non Destructive

AbstractVitreous humor (VH) is an alternative biological matrix with a great advantage of longer availability for analysis due to the lack of many enzymes. The use of VH in forensic toxicology may have an added benefit, however, this application requires rapid, simple, non-destructive, and relatively portable analytical analysis methods. These requirements may be met by Fourier transform infrared spectroscopy technique (FT-IR) equipped with attenuated total reflection accessory (ATR). FT-IR spectra of vitreous humor samples, deposited on glass slides, were collected and subsequent chemometric data analysis by means of Hierarchical Cluster Analysis and Principal Component Analysis was conducted. Differences between animal and human VH samples and human VH samples stored for diverse periods of time were detected. A kinetic study of changes in the VH composition up to 2 weeks showed the distinction of FT-IR spectra collected on the 1st and 14th day of storage. In addition, data obtained for the most recent human vitreous humor samples—collected 3 and 2 years before the study, presented successful discrimination of all time points studied. The method introduced was unable to detect mephedrone addition to VH in the concentration of 10 µg/cm3. Graphic abstract

scholarly journals Zirconium-Doped Chromium IV Oxide Nanocomposites: Synthesis, Characterization, and Photocatalysis towards the Degradation of Organic Dyes

Catalysts ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 117
Author(s):  
Zahir Muhammad ◽  
Farman Ali ◽  
Muhammad Sajjad ◽  
Nisar Ali ◽  
Muhammad Bilal ◽  
...  
Keyword(s):  
Methylene Blue ◽  
Photocatalytic Activity ◽  
Methyl Orange ◽  
Solid State ◽  
Room Temperature ◽  
Organic Dyes ◽  
Uv Light ◽  
Heterogeneous Photocatalysis ◽  
Ft Ir ◽  
Complete Mineralization

Degradation of organic dyes and their byproducts by heterogeneous photocatalysts is an essential process, as these dyes can be potentially discharged in wastewater and threaten aquatic and xerophyte life. Therefore, their complete mineralization into nontoxic components (water and salt) is necessary through the process of heterogeneous photocatalysis. In this study, Zr/CrO2 (Zirconium-doped chromium IV oxide) nanocomposite-based photocatalysts with different compositions (1, 3, 5, 7 & 9 wt.%) were prepared by an environmentally friendly, solid-state reaction at room temperature. The as-prepared samples were calcined under air at 450 °C in a furnace for a specific period of time. The synthesis of Zr/CrO2 photocatalysts was confirmed by various techniques, including XRD, SEM, EDX, FT-IR, UV-Vis, and BET. The photocatalytic properties of all samples were tested towards the degradation of methylene blue and methyl orange organic dyes under UV light. The results revealed a concentration-dependent photocatalytic activity of photocatalysts, which increased the amount of dopant (up to 5 wt.%). However, the degradation efficiency of the catalysts decreased upon further increasing the amount of dopant due to the recombination of holes and photoexcited electrons.

Luminescent Properties of Zn2SiO4:Eu3+,Dy3+ Phosphors via Sol-Gel Process

2012 ◽  
Vol 217-219 ◽  
pp. 733-736
Author(s):  
Xiu Mei Han ◽  
Shu Ai Hao ◽  
Ying Ling Wang ◽  
Gui Fang Sun ◽  
Xi Wei Qi
Keyword(s):  
Thermal Analysis ◽  
Ir Spectra ◽  
Sol Gel ◽  
Luminescent Properties ◽  
Photoluminescence Spectra ◽  
X Ray Diffraction ◽  
X Ray ◽  
Sol Gel Process ◽  
Ft Ir

Zn2SiO4:Eu3+, Dy3+ phosphors have been prepared through the sol-gel process. X-ray diffraction (XRD), thermogravimetric and ddifferential thermal analysis (TG-DTA), FT-IR spectra and photoluminescence spectra were used to characterize the resulting phosphors. The results of XRD indicated that the phosphors crystallized completely at 1000oC. In Zn2SiO4:Eu3+,Dy3+ phosphors, the Eu3+ and Dy3+ show their characteristic red(613nm, 5D0-7F2), blue (481nm, 4F9/2–6H15/2) and yellow (577nm, 4F9/2–6H13/2) emissions.

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