New compound, namely (Z)-1-[4-(trifluoromethyl)benzylidene]thiosemicarbazide was successfully synthesized using thiosemicarbazide with 4-(trifluoromethyl)-benzaldehyde in ethanol solution. The data presented in this articles is related to our research articles entitled "Crystal Structure of (Z)-1-[4-(Trifluoromethyl)benzylidene]thiosemicarbazide" (Osman et al., 2017) [1]. This work shows the continue data from experimental spectroscopic measurement which are Fourier Transform Infrared (FTIR) and 13C Nuclear Magnetic Resonance (13C NMR). Assessment on the correlation with theoretical computational data was also carried out through GaussView 5.0.9 and Gaussian09 software. Molecular Electrostatic Potential (MEP) and Highest Occupied Molecular Orbital-Lowest Unoccupied Molecular Orbital (HOMO-LUMO) were also illustrated.
Bioactive compounds are one of the natural products used especially for medicinal, pharmaceutical and food application. Increasing research performed on the extraction, isolation and identification of bioactive compounds, however non to date has explored on the identification of flavonoids classes. Therefore, this study was focused on the development of algorithm for rapid identification of flavonoids classes which are flavanone, flavone and flavonol and also their derivatives. Fourier Transform Infrared (FTIR) spectroscopy coupled with multivariate statistical data analysis, which is Principal Component Analysis (PCA) was utilized. The results exhibited that few significant wavenumber range provides the identification and characterization of the flavonoids classes based on PCA algorithm. The study concluded that FTIR coupled with PCA analysis can be used as a molecular fingerprint for rapid identification of flavonoids.
To evaluate the possibilities for biofuel and bioenergy production Acacia Holosericea, which is an invasive plant available in Brunei Darussalam, was investigated. Proximate analysis of Acacia Holosericea shows that the moisture content, volatile matters, fixed carbon, and ash contents were 9.56%, 65.12%, 21.21%, and 3.91%, respectively. Ultimate analysis shows carbon, hydrogen, and nitrogen as 44.03%, 5.67%, and 0.25%, respectively. The thermogravimetric analysis (TGA) results have shown that maximum weight loss occurred for this biomass at 357 °C for pyrolysis and 287 °C for combustion conditions. Low moisture content (<10%), high hydrogen content, and higher heating value (about 18.13 MJ/kg) makes this species a potential biomass. The production of bio-char, bio-oil, and biogas from Acacia Holosericea was found 34.45%, 32.56%, 33.09% for 500 °C with a heating rate 5 °C/min and 25.81%, 37.61%, 36.58% with a heating rate 10 °C/min, respectively, in this research. From Fourier transform infrared (FTIR) spectroscopy it was shown that a strong C-H, C-O, and C=C bond exists in the bio-char of the sample.
An adsorption-desorption process was applied on fermented landfill leachate to adsorb and recover acetic and butyric acid, using activated carbon. In this study, the first, volatile fatty acids adsorption process from fermented leachate was optimized, by investigating various affecting factors such as pH, time, agitation speed, activated carbon dosage, and temperature. The optimum condition for maximum adsorption of 88.94% acetic acid and 98.53% butyric acid, was 19.79 %wt activated carbon dosage, 40.00 rpm of agitation speed, in 9.45 °C and contact time of 179.89 h, while the pH of the substrate was kept fixed at pH:3.0. Results of X-ray fluorescence (XRF) spectrometry, X-ray diffraction (XRD), Fourier transform infrared (FT-IR) and zeta potential revealed that carbon is the dominant component in the adsorbent with a significant effect to remove organic impurities, and it was observed that the activated carbon after the adsorption process showed an amorphous structure peak with a large internal surface area and pore volume. The results exposed that the adsorption on the surface of activated carbon was due to the chemisorption, and the chemisorption mechanism was supported by covalent bonding. The kinetic study displayed excellent fit to Pseudo-second order kinetics model. The second phase of this study was to recover the adsorbed VFAs using multistage desorption unit, in which application of deionized water and ethanol (as desorption agents) resulted in 89.1% of acetic acid and 67.8% of the butyric acid recovery.
Solid polymer electrolytes electrolytes based Poly
(ethylene oxide) (PEO) complexed with sodium
trifluoromethanesulfonate (NaCF3SO3
) salt were prepared by
using solution cast technique. Ion-polymer ionic conductivity
and interaction studies have been reported by Electrical
Impedance spectroscopy (EIS) and Fourier transform infrared
spectroscopy (FTIR). FTIR studies suggested that there are
stronger interaction between Na+
ions and the polymer than
interaction of anions cations of the salt. The temperature
dependance electrical conductivity of polymer electrolytes films
follow Arrhenius relation and the low activation energy 0.2993
eV was observed for PEO-18 wt. % NaCF3SO3 below 323 K.
In this work, polymer electrolytes have been prepared by doping starch with Sodium Phosphate (Na3PO4). The incorporation of 25% Na3PO4 optimizes the room temperature conductivity of the electrolyte at 7.27 x 10-6 Scm-1. The temperature dependence of conductivity for the electrolyte is Arrhenius and the activation energy, Ea, of 75% corn starch-25% Na3PO4 electrolyte is 0.26eV. The dielectric studies reveal the non-Debye nature of the electrolyte. The complexation of Na3PO4 with the polymer host was studied using Fourier transform infrared (FTIR) spectroscopy.
The purpose of this study was to produce a novel pH sensitive hydrogel with superior thermal stability, composed of
poly(acrylic acid) (PAA) and cellulose nanocrystal (CNC). CNC was extracted from kenaf fiber through a series of alkali
and bleaching treatments followed by acid hydrolysis. PAA was then subjected to chemical cross-linking using the crosslinking
agent (N,N-methylenebisacrylamide) in CNC suspension. The mixture was casted onto petri dish to obtain disc
shape hydrogel. PAA/cellulose hydrogel with the same composition ratio were also prepared as control. The effect of
reaction conditions such as the ratio of PAA and CNC on the swelling behavior of the hydrogel obtained towards pH
was studied. The obtained hydrogel was further subjected to different tests such as thermogravimetric analysis (TGA) to
study the thermal behavior, Fourier transform infrared for functional group identification and swelling test for swelling
behavior at different pH. The cross-linking of PAA was verified with FTIR with the absence of C=C double bond. In TGA
test, PAA/CNC hydrogel showed significantly higher thermal stability compared with pure PAA hydrogel. The hydrogel
obtained showed excellent pH sensitivity and experienced maximum swelling at pH7. The PAA/CNC hydrogel can be
developed further as drug carrier
In this work, zinc chromite (ZnCr2O4) nanostructures have been synthesized through co-precipitation method. The effect of various parameters such as alkaline agent, pH value, and capping agent type was investigated on purity, particle size and morphology of samples. It was found that particle size and morphology of the products could be greatly influenced via these parameters. The synthesized products were characterized by field emission scanning electron microscopy (FESEM), X-ray diffraction (XRD), fourier transform infrared (FT-IR) spectra, X-ray energy dispersive spectroscopy (EDS), photoluminescence (PL) spectroscopy, diffuse reflectance spectroscopy (DRS) and vibrating sample magnetometry (VSM). The superhydrophilicity of the calcined oxides was investigated by wetting experiments and a sessile drop technique which carried out at room temperature in air to determine the surface and interfacial interactions. Furthermore, the photocatalytic activity of ZnCr2O4 nanoparticles was confirmed by degradation of anionic dyes such as Eosin-Y and phenol red under UV light irradiation. The obtained ZnCr2O4 nanoparticles exhibit a paramagnetic behavior although bulk ZnCr2O4 is antiferromagnetic, this change in magnetic property can be ascribed to finite size effects.
Different morphologies of Ag2Te nanostructures were synthesized using TeCl4 as a new precursor and hydrazine hydrate as reducing agent by a hydrothermal method. Various parameters that affect on morphology and purity of nanostructures were optimized. According to our experiments the best time and temperature for preparation of this nanostructure are 12 h and 120 °C. The photo-catalytic behaviour of nanostructures in presence of UV-visible light for degradation of methyl orange was investigated. Results show that the presence of UV light is necessary for an efficient degradation of dye in aqueous solution. On the other hand, as observations propose the Ag2Te reveal a strong photoluminescence peak at room temperature that could be attributed to high level transition in the semiconductor. Nanostructures were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared (FT-IR) techniques and UV-visible scanning spectrometer (UV-Vis).
Homogenous strain analysis (HSA) was developed to evaluate regional cardiac function using tagged cine magnetic resonance images of heart. Current cardiac applications of HSA are however limited in accurately detecting tag intersections within the myocardial wall, producing consistent triangulation of tag cells throughout the image series and achieving optimal spatial resolution due to the large size of the triangles. To address these issues, this article introduces a harmonic phase (HARP) interference method. In principle, as in the standard HARP analysis, the method uses harmonic phases associated with the two of the four fundamental peaks in the spectrum of a tagged image. However, the phase associated with each peak is wrapped when estimated digitally. This article shows that special combination of wrapped phases results in an image with unique intensity pattern that can be exploited to automatically detect tag intersections and to produce reliable triangulation with regularly organized partitioning of the mesh for HSA. In addition, the method offers new opportunities and freedom for evaluating myocardial function when the power and angle of the complex filtered spectra are mathematically modified prior to computing the phase. For example, the triangular elements can be shifted spatially by changing the angle and/or their sizes can be reduced by changing the power. Interference patterns obtained under a variety of power and angle conditions were presented and specific features observed in the results were explained. Together, the advanced processing capabilities increase the power of HSA by making the analysis less prone to errors from human interactions. It also allows strain measurements at higher spatial resolution and multi-scale, thereby improving the display methods for better interpretation of the analysis results.
A high proportion of the geriatric population suffers from presbylaryngis and presbyphonia; however, our knowledge of vibratory patterns in this population is almost nonexistent. In this study, we investigate the vocal fold vibratory patterns of healthy elderly females to determine which features or combination of them could best describe the geriatric voices.
The hydrophobic membranes have been widely explored to meet the membrane characteristics for the membrane distillation (MD) process. Inorganic metal oxide nanoparticles have been used to improve the membrane hydrophobicity, but limited studies have used nano clay particles. This study introduces halloysite nanotube (HNT) as an alternative material to synthesis a hydrophobic poly(vinylidene fluoride) (PVDF)-HNT membrane. The PVDF membranes were fabricated using functionalized HNTs (e.g., carnauba wax and 1H,1H,2H,2H-perfluorooctyl-trichlorosilane (FOTS)). The results were determined by Fourier transform infrared-attenuated total reflection, scanning electron microscope, goniometer and porometer to determine the desired hydrophobic membrane for direct contact membrane distillation (DCMD). The addition of FOTS-HNT (fs-HNT) and carnauba wax-HNT (fw-HNT) in the PVDF membrane enhanced the water contact angle (CA) to 127° and 137°, respectively. The presence of fw-HNT in the PVDF membrane exhibited higher liquid entry pressure (LEP) (2.64 bar) compared to fs-HNT in the membrane matrix (1.44 bar). The PVDF/fw-HNT membrane (Pfw-HNT) obtained the highest flux of 7.24 L/m2h with 99.9% salt removal. A stable permeability in the Pfw-HNT membrane was obtained throughout 16 h of DCMD. The incorporation of fw-HNT in the PVDF membrane had improved the anti-wetting properties and the membrane performance with the anti-fouling effect.
Doxorubicin-loaded micelles were prepared from a copolymer comprising cholic acid (CA) and polyethyleneimine (PEI) for the delivery of antitumor drugs. The CA-PEI copolymer was synthesized via pairing mediated by N,N'-dicyclohexylcarbodiimide and N-hydroxysuccinimide using dichloromethane as a solvent. Fourier transform infrared and nuclear magnetic resonance analyses were performed to verify the formation of an amide linkage between CA and PEI and doxorubicin localization into the copolymer. Dynamic light scattering and transmission electron microscopy studies revealed that the copolymer could self-assemble into micelles with a spherical morphology and an average diameter of <200 nm. The CA-PEI copolymer was also characterized by X-ray diffraction and differential scanning calorimetry. Doxorubicin-loaded micelles were prepared by dialysis method. A drug release study showed reduced drug release with escalating drug content. In a cytotoxicity assay using human colorectal adenocarcinoma (DLD-1) cells, the doxorubicin-loaded CA-PEI micelles exhibited better antitumor activity than that shown by doxorubicin. This is the first study on CA-PEI micelles as doxorubicin carriers, and this study demonstrated that they are promising candidates as carriers for sustained targeted antitumor drug delivery system.
Drugs-facilitated crimes (DFCs) involve the incapacitation of victims under the influence of drugs. Conventionally, a drug administration act is often determined through the examination of biological samples; however, dry residues from any surface, such as drinking glass if related to a DFC could be a potential source of evidence. This study was aimed to establish an attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy coupled with chemometrics for the determination of spiked sedative-hypnotics from dry residues of a drug-spiked beverage. In this study, four sedative-hypnotics, namely diazepam, ketamine, nimetazepam, and xylazine were examined using ATR-FTIR spectroscopy. Subsequently, the ATR-FTIR profiles were compared and decomposed by principal component analysis (PCA) followed by linear discriminant analysis (LDA) for their detection and discrimination. Visual comparison of ATR-FTIR profiles revealed distinct spectra among the tested drugs. An initial unsupervised exploratory PCA model indicated the separation of four main sedative-hypnotics clusters, and the proposed PCA score-LDA model had allowed for a 100% accurate classification. Discrimination of sedative-hypnotics from a dry beverage previously spiked with these drugs was also possible upon an additional extraction procedure. In conclusion, ATR-FTIR coupled with PCA score-LDA model was useful in detecting and discriminating sedative-hypnotics, including those that had been previously spiked into a beverage.
In this research, a protein nanofiber membrane (P-COOH-CEW) was developed to treat the dye waste. Initially, polyacrylonitrile nanofiber membrane (PAN) was prepared by electrospinning, followed by heat treatment, alkaline treatment, and neutralization to obtain weak cation exchange nanofiber membrane (P-COOH). The P-COOH membrane was chemically coated with chicken egg white (CEW) proteins to obtain a 3D structure of complex protein nanofiber membrane (P-COOH-CEW). The composite prepared was characterized with Fourier Transform Infrared analysis (FTIR), Scanning Electron Microscopy (SEM), and thermogravimetric analysis (TGA). Further, the composite was evaluated by investigating the removal of Toluidine Blue O (TBO) from aqueous solutions in batch conditions. Different operating parameters - coupling of CEW, shaking rate, initial pH, contact time, temperature, and dye concentration were studied. From the results, maximum removal capacity and equilibrium association constant was determined to be 546.24 mg/g and 10.18 mg/mg, respectively at pH 10 and 298 K. The experimental data were well fitted to pseudo-second order model. Furthermore, desorption studies revealed that the adsorbed TBO can be completely eluted by using 50% ethanol or 50% glycerol in 1 M NaCl solution. Additionally, the reuse of P-COOH-CEW membrane reported to have 97.32% of removal efficiency after five consecutive adsorption/desorption cycles.
Telmisartan suffers from low oral bioavailability due to its poor water solubility. The research work presents a formulation of solid dispersed (SD) telmisartan formulation as a ternary mixture of a drug, a polymeric carrier (poly(vinylpyrrolidone) (PVP) K30), and an alkalizer (Na2CO3). The preparation method, which was lyophilization of an aqueous solution containing the ingredients, was free from any organic solvent. The developed SD formulations resulted in a significant improvement in in vitro dissolution (>90% drug dissolution in 15 min) compared to pure telmisartan. Solid-state characterization by scanning electron microscopy (SEM), differential scanning calorimetry (DSC), and X-ray diffraction (XRD) studies indicated the conversion of crystalline telmisartan into an amorphous form. Fourier transform infrared (FTIR) spectroscopy revealed the drug-polymer interaction that was responsible for reducing the chances of recrystallization. A short-term stability study showed that selected SD formulations were stable in terms of in vitro dissolution and retained their amorphous structure in ambient and accelerated conditions over 2 months. Selected formulations (drug/PVP K30/Na2CO3 as 1:1:2 or 1:2:2 weight ratio) resulted in >2.48 times relative oral bioavailability compared to marketed formulations. It was considered that the incorporation of an alkalizer and a hydrophilic polymer, and amorphization of telmisartan by lyophilization, could enhance in vitro dissolution and improve oral bioavailability.
This study demonstrated the utilization of radiation-induced initiator methods for the formation of
nanoparticles of Acrylated Palm Oil (APO) using aqueous Pluronic F-127 (PF-127) microemulsion
system. This microemulsion system was subjected to gamma irradiation to form the crosslinked APO
nanoparticles. Dynamic light scattering (DLS), Fourier Transform Infrared (FTIR) spectroscopy and
Transmission Electron Microscopy (TEM) were used to characterize the size and the chemical structure
of the nanoparticles. As a result, the size of the APO nanoparticle was decreased when the irradiation
dose increased. The decrease in size might be due to the effects of intermolecular crosslinking and
intramolecular crosslinking reactions of the APO nanoparticles during irradiation process. The size of the
nanoparticle is in the range of 98 to 200 nanometer (nm) after irradiation using gamma irradiator. This radiation-induced method provides a free initiator
induced and easy to control process as compared
to the classical or chemical initiator process. The
study has shown that radiation-induced initiator
methods, namely, polymerization and crosslinking
in the microemulsion, were promising for the
synthesis of nanoparticles.
Currently, the authentication of virgin coconut oil (VCO) has become very important due to the possible adulteration of VCO with cheaper plant oils such as corn (CO) and sunflower (SFO) oils. Methods involving Fourier transform mid infrared (FT-MIR) spectroscopy combined with chemometrics techniques (partial least square (PLS) and discriminant analysis (DA)) were developed for quantification and classification of CO and SFO in VCO. MIR spectra of oil samples were recorded at frequency regions of 4000-650cm-1 on horizontal attenuated total reflectance (HATR) attachment of FTIR. DA can successfully classify VCO and that adulterated with CO and SFO using 10 principal components. Furthermore, PLS model correlates the actual and FTIR estimated values of oil adulterants (CO and SFO) with coefficient of determination (R2) of 0.999.
Two functional food oils, namely extra virgin olive oil (EVOO) and virgin coconut oil (VCO) have been analyzed simultaneously using Fourier transform infrared (FTIR) spectroscopy. The performance of multivariate calibration of principle component regression (PCR) and partial least square regression (PLSR) was evaluated in order to give the best prediction model for such determination. FTIR spectra were treated with several treatments including mean centering (MC), derivatization, and standard normal variate (SNV) at the combined frequency regions of 3050 – 3000, 1660 – 1650, and 1200 – 900 cm-1. Based on its capability to give the highest values of coefficient of correlation (R) for the relationship between actual value of EVOO/VCO and FTIR predicted value together with the lowest values of root mean square error of calibration (RMSEC), PLSR with mean centered-first derivative spectra was chosen for simultaneous determination of EVOO and VCO. It can be concluded that FTIR spectroscopy combined with multivariate calibration of PLSR was successfully applied to simultaneously quantify EVOO and VCO with acceptable parameters.
A computer-aided detection auto-probing (CADAP) system is presented for detecting breast lesions using dynamic contrast enhanced magnetic resonance imaging, through a spatial-based discrete Fourier transform. The stand-alone CADAP system reduces noise, refines region of interest (ROI) automatically, and detects the breast lesion with minimal false positive detection. The lesions are then classified and colourised according to their characteristics, whether benign, suspicious or malignant. To enhance the visualisation, the entire analysed ROI is constructed into a 3-D image, so that the user can diagnose based on multiple views on the ROI. The proposed method has been applied to 101 sets of digital images, and the results compared with the biopsy results done by radiologists. The proposed scheme is able to identify breast cancer regions accurately and efficiently.