Dioscorea oppositifolia is an important crop and functional food. D. oppositifolia tuber is often adulterated with D. persimilis, D. alata, and D. fordii tuber in the commercial market. This study proposed an integrated Fourier transform infrared spectroscopy (FT-IR) with chemometric approach to differentiate these four Dioscorea species. A total of 107 Dioscorea spp. tuber samples were collected from different locations in China. Principal Component Analysis (PCA), PCA-Class, and Orthogonal Partial Least Square Discriminant Analysis (OPLS-DA) were utilised to classify the FT-IR spectra. In this PCA is unable to differentiate the Dioscorea spp. tuber effectively. However, PCA-Class and OPLS-DA can distinguish spp. these 4 species Dioscorea tuber with high accuracy, sensitivity, and specificity. Additionally, the RMSEE, RMSEP and RMSECV values for OPLS-DA model were low, showing that it is a good model. The combination of FT-IR with the PCA-Class and OPLS-DA is practical in discriminating Dioscorea spp. tubers.
This study aims to recover the used coagulants from two water treatment plants via acidification technique. The water treatment sludge (WTS) was acidified with sulfuric acid (H2SO-4) at variable normalities (0.5, 1, 1.5, 2.0 and 2.5 N). The surface morphology and functionalities of both recovered coagulants were analysed using scanning electron microscopy (SEM) and Fourier-transform infrared spectroscopy (FTIR). The performance of recovered coagulants was tested for turbidity removal in surface water treatment at different coagulant dosages and pH. It was found that the optimum normality of H2SO4 for recovered alum was 1.5 N, where 66% turbidity removal was recorded. The recovered PAC treated with 1.0 N H2SO4 indicated high turbidity removal percentage, which was 50.5%. The turbidity removal increased with increasing coagulant dosage. More than 80% turbidity removal was achieved with 40 mg/L dosage of recovered alum and recovered PAC. Maximum removal (85%) was observed with 50 mg/L dosage of recovered alum. For commercial coagulant, the turbidity removal was higher, with a difference of up to 6% in favor of recovered alum. The potential reuse of coagulants can be explored in order to reduce the operating costs and promotes the reduction of WTS disposal.
This study highlights the effectiveness of oyster shell biocomposite for the biosorption of Cd(II) and Pb(II) ions from an aqueous solution. The aim of this work was to modify a novel biocomposite derived from oyster shell for the adsorption of Cd(II) and Pb(II) ions from aqueous solution. The studied revealed the specific surface BET surface area was 9.1476 m2/g. The elemental dispersive x-ray analysis (EDS) indicated that C, O, Ag, Ca were the predominant elements on the surface of the biocomposite after which metals ions of Cd and Pb were noticed after adsorption. The Fourier transform Irradiation (FT-IR) revealed the presence of carboxyl and hydroxyl groups on the surface. The effect of process variables on the adsorption capacity of the modified biocomposite was examined using the central composite design (CCD) of the response surface methodology (RSM). The process variables which include pH, adsorbent dose, the initial concentration and temperature were the most effective parameters influencing the uptake capacity. The optimal process conditions of these parameters were found to be pH, 5.57, adsorbent dose, 2.53 g/L, initial concentration, 46.76 mg/L and temperature 28.48°C for the biosorption of Cd(II) and Pb(II) ions from aqueous solution at a desirability coefficient of 1. The analysis of variance (ANOVA) revealed a high coefficient of determination (R2 > 0.91) and low probability coefficients for the responses (P < 0.05) which indicated the validity and aptness of the model for the biosorption of the metal ions. Experimental isotherm data fitted better to the Langmuir model and the kinetic data fitted better to the pseudo-second-order model. Maximun Cd(II) and Pb(II) adsorption capacities of the oyster shell biocomposite were 97.54 and 78.99 mg/g respectively and was obtained at pH 5.56 and 28.48°C. This investigation has provided the possibility of the utilization of alternative biocomposite as a sustainable approach for the biosorption of heavy metal ions from the wastewater stream.
The metabolite changes in three germplasm accessions of Malaysia Andrographis paniculata (Burm. F.) Nees, viz. 11265 (H), 11341 (P) and 11248 (T), due to their different harvesting ages and times were successfully evaluated by attenuated total reflectance (ATR)-Fourier transform infrared (FTIR) spectroscopy and translated through multivariate data analysis of principal component analysis (PCA) and orthogonal partial least square-discriminant analysis (OPLS-DA). This present study revealed the feasibility of ATR-FTIR in detecting the trend changes of the major metabolites - andrographolide and neoandrographolide - functional groups in A. paniculata leaves of different accessions. The harvesting parameter was set at three different ages of 120, 150 and 180 days after transplanting (DAT) and at two different time sessions of morning (7:30-10:30 am) and evening (2:30-5.30 pm).
Spaceflight represents a complex environmental condition. Space mutagenesis breeding has achieved marked results over the years. The objective of this study is to determine the chemical changes in medicinal mushroom Ganoderma lucidum cultivated after spaceflight in 1999. Fourier transform infrared (FTIR) and two-dimensional infrared (2DIR) correlation spectroscopy were used in analysis. The sample Sx and its control Cx showed the least dissimilarities in one-dimensional FTIR spectra, but absorbance of Sx is twice as high as Cx. Sx presented a clear peak at 1648 cm in 2nd derivative spectra, which could not be detected in the Cx. The 2DIR spectra showed the intensity of Sx in the range 1800-1400 cm-1 for protein is higher than the control. The sample Sx produced some carbohydrate peaks in the area of 889 cm-1 compared with the Cx. The spaceflight set up an extreme condition and caused changes of chemical properties in G. lucidum strain.
Logging and poor shifting cultivation negatively affect initial soil carbon (C) storage, especially at the initial stage of deforestation, as these practices lead to global warming. As a result, an afforestation program is needed to mitigate this problem. This study assessed initial soil C buildup of rehabilitated forests using Fourier transform infrared (FTIR) spectroscopy. The relatively high E4/E6 values of humic acids (HAs) in the rehabilitated forest indicate prominence of aliphatic components, suggesting that the HAs were of low molecular weight. The total acidity, carboxylic (-COOH) and phenolic (-OH) of the rehabilitated forest were found to be consistent with the ranges reported by other researchers. The spectra of all locations were similar because there was no significant difference in the quantities of C in humic acids (CHA) regardless of forest age and soil depth. The spectra showed distinct absorbance at 3290, 1720, 1630, 1510, 1460, 1380, and 1270 cm-1. Increase of band at 1630 and 1510 cm-1 from 0-20 to 40-60 cm were observed, suggesting C buildup from the lowest depths 20-40 and 40-60 cm. However, the CHA content in the soil depths was not different. The band at 1630 cm-1 was assigned to carboxylic and aromatic groups. Increase in peak intensity at 1510 cm-1 was because C/N ratio increased with increasing soil depth. This indicates that decomposition rate decreased with increasing soil depth and decreased with CHA. The finding suggests that FTIR spectroscopy enables the assessment of C composition functional group buildup at different depths and ages.
The interaction behaviours between components of polyacrylate (PAc)/poly(ethylene oxide) (PEO) and lithium perchlorate (LiClO(4)) were investigated in detail by Attenuated Total Reflectance (ATR)-Fourier Transformed Infrared (FTIR) spectroscopy. Solution cast films of the PAc/PEO and PAc/PEO/LiClO(4) were examined. No obvious shifting of the characteristic ether and ester group stretching modes of PEO and PAc was observed, indicating incompatibility of the binary PAc/PEO blend. The spectroscopic studies on the PAc/PEO/LiClO(4) blends reveal that Li(+) ions coordinate individually to the polymer components at the ether oxygen of PEO and the C-O of the ester group of PAc. Frequency changes observed on the nu(C-O-C) and omega(CH(2)) of PEO confirm the coordination between PEO and Li(+) ions resulting in crystallinity suppression of PEO. The absence of experimental evidence on the formation of PEO-Li(+)-PAc complexes suggests that LiClO(4) does not enhance the compatibility of PAc/PEO blend.
Fourier transform infrared (FTIR) spectroscopy studies of poly(vinyl alcohol) (PVA), and chitosan polymer blend doped with ammonium nitrate (NH(4)NO(3)) salt and plasticized with ethylene carbonate (EC) have been performed with emphasis on the shift of the carboxamide, amine and hydroxyl bands. 1% acetic acid solution was used as the solvent. It is observed from the chitosan film spectrum that evidence of polymer-solvent interaction can be observed from the shifting of the carboxamide band at 1660 cm(-1) and the amine band at 1591 cm(-1) to 1650 and 1557 cm(-1) respectively and the shift of the hydroxyl band from 3377 to 3354 cm(-1). The hydroxyl band in the spectrum of PVA powder is observed at 3354 cm(-1) and is observed at 3343 cm(-1) in the spectrum of the PVA film. On addition of NH(4)NO(3) up to 30 wt.%, the carboxamide, amine and hydroxyl bands shifted from 1650, 1557 and 3354 cm(-1) to 1642, 1541 and 3348 cm(-1) indicating that the chitosan has complexed with the salt. In the PVA-NH(4)NO(3) spectrum, the hydroxyl band has shifted from 3343 to 3272 cm(-1) on addition of salt from 10 to 30 wt.%. EC acts as a plasticizing agent since there is no shift in the bands as observed in the spectrum of PVA-chitosan-EC films. The mechanism of ion migration is proposed for the plasticized and unplasticized PVA-chitosan-NH(4)NO(3) systems. In the spectrum of PVA-chitosan-NH(4)NO(3)-EC complex, the doublet CO stretching in EC is observed in the vicinity 1800 and 1700. This indicates that there is some interaction between the salt and EC.
A simple and rapid Fourier transform infrared (FTIR) spectroscopic method has been developed for the quantitative determination of malondialdehyde as secondary oxidation product in a palm olein system. The FTIR method was based on a sodium chloride transmission cell and utilised a partial least square statistical approach to derive a calibration model. The frequency region combinations that gave good calibration were 2900-2800, and 1800-1600 cm-1. The precision and accuracy, in the range 0-60 mumol malondialdehyde/kg oil, were comparable to those of the modified distillation method with a coefficient of determination (r2) of 0.9891 and standard error of calibration of 1.49. The calibration was cross-validated and produced an r2 of 0.9786 and standard error of prediction of 2.136. The results showed that the FTIR method is versatile, efficient and accurate, and suitable for routine quality control analysis with the result obtainable in about 2 min from a sample of less than 2 mL.
The identification, characterization and quantification of crystal forms are becoming increasingly important within the pharmaceutical industry. A combination of different physical analytical techniques is usually necessary for this task. In this work solid-state techniques, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and X-ray powder diffractometry (XRPD) were combined to analyze polymorphic purity of crystalline ranitidine-HCl, an antiulcer drug, H2 receptor antagonists. A series of 12 different mixtures of Form 1 and 2 was prepared by geometric mixing and their DRIFT spectra and XRD powder patterns were obtained and analyzed, either alone or combined together, using Artificial Neural Networks (ANNs). A standard feed-forward network, with back-propagation rule and with multi layer perceptron architecture (MPL) was chosen. A working range of 1.0-100% (w/w) of crystal Form 2 in Form 1 was established with a minimum quantifiable level (MQL) of 5.2% and limit of detection of 1.5% (w/w). The results demonstrate that DRIFTS combined with XRPD may be successfully used to distinguish between the ranitidine-HCl polymorphs and to quantify the composition of binary mixtures of the two.
In this dataset, we distinguish 15 accessions of Garcinia mangostana from Peninsular Malaysia using Fourier transform-infrared spectroscopy coupled with chemometric analysis. We found that the position and intensity of characteristic peaks at 3600-3100 cm(-) (1) in IR spectra allowed discrimination of G. mangostana from different locations. Further principal component analysis (PCA) of all the accessions suggests the two main clusters were formed: samples from Johor, Melaka, and Negeri Sembilan (South) were clustered together in one group while samples from Perak, Kedah, Penang, Selangor, Kelantan, and Terengganu (North and East Coast) were in another clustered group.
A highly active and stable nano structured Pt/Mg1-xNixO catalysts was developed by a simple co-precipitation method. The obtained Pt/Mg1-xNixO catalyst exhibited cubic structure nanocatalyst with a size of 50-80 nm and realized CH4 and CO2 conversions as high as 98% at 900°C with excellent stability in the dry reforming of methane. The characterization of catalyst was performed using various kinds of analytical techniques including XRD, BET, XRF, TPR-H2, TGA, TEM, FESEM, FT-IR, and XPS analyses. Characterization of spent catalyst further confirms that Pt/Mg1-xNixO catalyst has high coke-resistance for dry reforming. Thus, the catalyst demonstrated in this study, offers a promising catalyst for resolving the dilemma between dispersion and reducibility of supported metal, as well as activity and stability during high temperature reactions.
A novel (2E)-1-(5-chlorothiophen-2-yl)-3-{4-[(E)-2-phenylethenyl]phenyl}prop-2-en-1-one [C21H15ClOS] compound has been synthesized and its structure has been characterized by FT-IR, Raman and single-crystal X-ray diffraction techniques. The conformational isomers, optimized geometric parameters, normal mode frequencies and corresponding vibrational assignments of the compound have been examined by means of HF, MP2, BP86, BLYP, BMK, B3LYP, B3PW91, B3P86 and M06-2X functionals. Reliable vibrational assignments and molecular orbitals have been investigated by the potential energy distribution and natural bonding orbital analyses, respectively. The compound crystallizes in the triclinic space group P-1 with the cis-trans-trans form. There is a good agreement between the experimentally determined structural parameters and vibrational frequencies of the compound and those predicted theoretically using the density functional theory with the BLYP and BP86 functionals.
Nanoparticles of undoped and copper doped with Fe3
O4 of three concentrations (0.5, 1.0 and 1.5) are synthesized by
sonochemical method. Structural, optical and morphological properties of these compounds were studied. Fe2+/Fe3+
ratio is found to be 2.36. Crystalline structure, lattice parameters, surface morphologies, direct and indirect band gap
energies of the synthesized compounds were estimated and the results are discussed in detail. The XDR analysis indicates
the Cu doped Fe3
O4
nanoparticles have higher crystallinity than undoped samples. Average crystallite size is found
to increase as Cu concentration increased. The FTIR results are proven by the presence of mixed magnetite-hematite
nanostructures and it is complement to the XRD results. The presence of spherical, polygonal and agglomeration forms
of the particles are visually seen in the SEM images. Direct and indirect band gap energy is found to be decreased as the
copper concentration was increased.
This study reports the application of hydrated lime for the effective adsorption of the heavy mercury metal from the aqueous phase solutions. Initially, hydrated lime was subjected to structural characterization and thermal stability analysis. The FT-IR spectrum analysis revealed that the existence of the O-H bonds as a confirmation of hydrated lime formation. Subsequently, the XRD powder-based analysis demonstrated that most of the hydrated lime is pure crystalline material known as Portlandite while a small amount of calcite is also present in the structure of the hydrated lime. The thermal stability analysis revealed that the hydrated lime is highly thermally stable under harsh conditions without decomposing at higher temperatures up to 500 °C. Furthermore, the hydrated lime was subjected to the selective adsorption of heavy metal mercury to investigate the potential influence of the adsorbent particle size and loading on adsorption capacity. The results demonstrated that the decrease in the adsorbent particle size leads to the improvement in the mercury adsorption attributing to the rise in specific surface area. The enhancement in the loading of the adsorbent resulted in a reduction in mercury adsorption directing to the fact that already adsorbed metal ions onto the adsorbent surface lead to hindrance for the adsorption of other ions of heavy metal. These results lead to a significant impact on modern in inventing different adsorbents with promising water treatment efficiency for more industrial applications and the related recovery of mercury.
: In this work the influence of carbon nano-dots (CNDs) on absorption of ultra violet (UV) spectra in hybrid PVA based composites was studied. The FTIR results reveal the complex formation between PVA and CNDs. The shifting was observed in XRD spectrum of PVA:CNDs composites compared to pure PVA. The Debye-Scherrer formula was used to calculate the crystallite size of CNDs and crystalline phases of pure PVA and PVA:CNDs composites. The FESEM images emphasized the presence and dispersion of C-dots on the surface of the composite samples. From the images, a strong and clear absorption was noticed in the spectra. The strong absorption that appeared peaks at 280 nm and 430 nm can be ascribed to the n-π* and π-π* transitions, respectively. The absorption edge shifted to lower photon energy sides with increasing CNDs. The luminescence behavior of PVA:CNDs composite was confirmed using digital and photo luminescence (PL) measurements. The optical dielectric constant which is related to the density of states was studied and the optical band gap was characterized accurately using optical dielectric loss parameter. The Taucs model was used to determine the type of electronic transition in the samples.
Inclusion complexes of R-ketoprofen and S-ketoprofen enantiomers with β-cyclodextrin (β-CD) in aqueous solution were studied using various spectroscopic techniques such as Raman, FTIR, UV and fluorescence. The different relative intensities and characteristic band shifts of the two enantiomers from Raman spectra suggests different interaction when complexed with β-CD. Raman experiments revealed a noticeable diminishing of the CC vibration and ring deformation, which indicate the embedding of ketoprofen inside the β-CD cavity. It's revealed that distinct differences between R- and S-ketoprofen in the presence of β-CD at neutral pH. The stoichiometry ratio and binding constant of the inclusion complexes were calculated using Benesi-Hildebrand plot. Both enantiomers showed stoichiometry ratio of 1:1 inclusion complex with β-CD. The binding constant of R-ketoprofen (4088 M-1) is higher than S-ketoprofen (2547 M-1). These values indicated that β-CD formed inclusion complexes more preferentially with R-ketoprofen than S-ketoprofen. Results demonstrated that β-CD can be used as a promising chiral selector for ketoprofen enantiomers.
In this dataset, we differentiate four different tissues of Cosmos caudatus Kunth (leaves, flowers, stem and root) obtained from UKM Bangi plot, based on Fourier transform-infrared spectroscopy. Different tissues of C. caudatus demonstrated the position and intensity of characteristic peaks at 4000-450 cm-1. Principal component analysis (PCA) shows three main groups were formed. The samples from leaves and flowers were found to be clustered together in one group, while the samples from stems and roots were clustered into two separate groups, respectively. This data provides an insight into the fingerprint identification and distribution of metabolites in the different organs of this species.
Siliceous mesoporous molecular sieve (Si-MCM-41) material with highly ordered hexagonal pore arrangement was synthesized at 373 K for 8-days duration by hydrothermal method, dried at 393 K and calcined at 823 K in N2 atmosphere. The calcined Si-MCM-41 was later functionalized with 10-50 wt. % monoethanolamine (MEA) by impregnation method and dried in vacuum at 343 K. The MEA-Si-MCM-41 samples were characterized for their physicochemical properties with FTIR, XRD, TGA, HRTEM, FESEM, BET and elemental analysis. XRD results showed that the intensity of the characteristic peaks of Si-MCM-41 reduces with increasing loading of MEA indicating that the MEA molecules are loaded in the pores as well as on the surface of Si-MCM-41. The appearance of FTIR peaks corresponding to N-H, C-N and C-H bonds suggested that Si-MCM-41 has been functionalized with MEA. The presence of Si-O-Si peaks in FTIR spectra of MEA-Si-MCM-41 samples indicates that the hexagonal pore arrangement remains intact and this is supported by HRTEM images. FESEM images show that MEA-Si-MCM-41 samples became agglomerated with increase loading of MEA. TGA analyses show that the MEA-Si-MCM-41 samples are thermally stable up to 528 K. N2 adsorption-desorption isotherms show that the textural properties of Si-MCM-41 material slowly change from a mesoporous material to non-porous material as the MEA loading increases due to pore filling effect during functionalization with MEA. Detection of N, C and H by elemental analysis confirms the presence of MEA in MEA-Si-MCM-41 samples.
The extraction of pectin from dragon fruit (Hylocereus polyrhizus) peels under three different extraction conditions was identified as an alternative source of commercial pectin. In this work, dried alcohol-insoluble residues (AIR) of dragon fruit peels were treated separately with 0.25% ammonium oxalate/oxalic acid at a pH of 4.6 at 85oC; 0.03 M HCl at a pH of 1.5 at 85oC; and de-ionized water at 75oC. The pectin obtained from these methods was compared in terms of yield, physicochemical properties and chemical structure. Fourier Transform Infrared Spectroscopy (FTIR) was used in the identification of dragon fruit pectins. The results showed that the pectin yield (14.96-20.14% based on dry weight), moisture content (11.13-11.33%), ash content (6.88-11.55%), equivalent weight (475.64-713.99), methoxyl content (2.98-4.34%), anhydrouronic acid (45.25-52.45%) and the degree of esterification (31.05-46.96%) varied significantly (p < 0.05) with the various extraction conditions used. Pectin extracted with ammonium oxalate gave the highest yield of pectin, with high purity and low ash content. Based on the value of methoxyl content and the degree of esterification, dragon fruit pectin can be categorized as low-methoxyl pectin.