Combining non-destructive devices and multivariate analysis as a tool to quantify the fatty acid profiles of linseed genotypes.

Linseed (Linum usitatissimum L.) and linseed oil, with a fatty acid profile rich in both macro and micro elements, are recognized as functional foods due to their valuable positive effects on health. Fatty acids composition (FAC) is a key indicator in assessing the quality of linseeds. The FAC of linseed is typically determined using chromatographic methods, yielding highly accurate results. However, chromatographic methods entail drawbacks such as requiring pre-chemical processes, generating chemical waste, and being both expensive and time-consuming, similar to chemical analyses. This study focused on the feasibility of colorimeter and FT-NIRS data to determine the FAC (%), protein (%) and neutral detergent fiber (NDF %) in linseed samples. By employing the PLSR analysis based on FT-NIRS, it was determined that the ratios of stearic (R2val = 0.74, RMSEP = 0.09 %), oleic (R2val = 0.75, RMSEP = 0.26 %), linoleic (R2val = 0.85, RMSEP = 0.58 %), linolenic (R2val = 0.71, RMSEP = 1.07 %), 8,11,14 eicosatrienoic (R2val = 0.77, RMSEP = 0.02 %), margaric (R2val = 0.71, RMSEP = 0.01 %), myristic (R2val = 0.75, RMSEP = 0.02 %), and behenic (R2val = 0.74, RMSEP = 1.12 %) in linseed could be successfully predicted. Furthermore, results demonstrated that the protein (R2val = 0.87, RMSEP = 0.9 %) and NDF (R2val = 0.90, RMSEP = 0.6 %) content in linseeds can be successfully predicted. PLSR demonstrated that FT-NIRS had relatively higher predictive capability compared to color models.

Rapid and accurate identification of Gastrodia elata Blume species based on FTIR and NIR spectroscopy combined with chemometric methods.

Different varieties of Gastrodia elata Blume (G. elata Bl.) have different qualities and different contents of active ingredients, such as polysaccharide and gastrodin, and it is generally believed that the higher the active ingredients, the better the quality of G. elata Bl. and the stronger the medicinal effects. Therefore, effective identification of G. elata Bl. species is crucial and has important theoretical and practical significance. In this study, first unsupervised PCA and t-SNE are established for data visualisation, follow by traditional machine learning (PLS-DA, OPLS-DA and SVM) models and deep learning (ResNet) models were established based on the fourier transform infrared (FTIR) and near infrared (NIR) spectra data of three G. elata Bl. species. The results show that PLS-DA, OPLS-DA and SVM models require complex preprocessing of spectral data to build stable and reliable models. Compared with traditional machine learning models, ResNet models do not require complex spectral preprocessing, and the training and test sets of ResNet models built based on raw NIR and low-level data fusion (FTIR + NIR) spectra reach 100 % accuracy, the external validation set based on low-level data fusion reaches 100 % accuracy, and the external validation set based on NIR has only one sample classification error and no overfitting.

Extraction and characterization of valuable compounds from chicken sternal cartilage: Type II collagen and chondroitin sulfate.

Type II collagen (Col II) and chondroitin sulfate (CS) are the main macromolecules in the extracellular matrix. This study investigated the characteristics of Col II and CS obtained from chicken sternal cartilage (CSC) via enzymatic hydrolysis for various treatment times. For Col II and CS, the highest efficiency of enzymatic hydrolysis was achieved after 24 and 6 h of treatment, respectively. The average molecular weights were α1 chain-130 kDa, ß chain-270 kDa for Col II, and 80.27 kDa for CS. Fourier transform infrared spectroscopy revealed that the Col II samples maintained their triple-helical structure and that the predominant type of CS was chondroitin-4-sulfate. Scanning electron microscopy revealed that the Col II and CS samples possessed fibrillar and clustered structures, respectively. This study suggests that collagen and CS obtained from CSC can be used as promising molecules for application in food and pharmaceutical industries.

Guanosine hydrogels in focus: A comprehensive analysis through mid-infrared spectroscopy.

Guanosine nucleosides and nucleotides have the peculiar ability to self-assemble in water to form supramolecular complex architectures from G-quartets to G-quadruplexes. G-quadruplexes exhibit in turn a large liquid crystalline lyotropic polymorphism, but they eventually cross-link or entangle to form a densely connected 3D network (a molecular hydrogel), able to entrap very large amount of water (up to the 99% v/v). This high water content of the hydrogels enables tunable softness, deformability, self-healing, and quasi-liquid properties, making them ideal candidates for different biotechnological and biomedical applications. In order to fully exploit their possible applications, Attenuated Total Reflection-Fourier Transform InfraRed (ATR-FTIR) spectroscopy was used to unravel the vibrational characteristics of supramolecular guanosine structures. First, the characteristic vibrations of the known quadruplex structure of guanosine 5'-monophosphate, potassium salt (GMP/K), were investigated: the identified peaks reflected both the chemical composition of the sample and the formation of quartets, octamers, and quadruplexes. Second, the role of K+ and Na+ cations in promoting the quadruplex formation was assessed: infrared spectra confirmed that both cations induce the formation of G-quadruplexes and that GMP/K is more stable in the G-quadruplex organization. Finally, ATR-FTIR spectroscopy was used to investigate binary mixtures of guanosine (Gua) and GMP/K or GMP/Na, both systems forming G-hydrogels. The same G-quadruplex-based structure was found in both mixtures, but the proportion of Gua and GMP affected some features, like sugar puckering, guanine vibrations, and base stacking, reflecting the known side-to-side aggregation and bundle formation occurring in these binary systems.

Development of a reusable polymeric fluorescence sensor based on acryloyl ß-cyclodextrin for the determination of aflatoxin B1 in grain products.

AFB1 is a harmful substance that can be found in agricultural products and can seriously affect human health, even in trace amounts. Therefore, monitoring AFB1 levels to ensure food safety and protect public health is crucial. New, highly reliable, selective, and rapid detection methods are needed to achieve this goal. Our work involves the development of a polymeric membrane sensor using radical polymerization that can accurately detect AFB1. Various spectroscopic techniques (Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM)) were used to obtain information about the structural and morphological properties of the prepared sensor. The sensor displayed fluorescence selectively responsive to AFB1 at the excitation wavelength of 376 nm and emission wavelength of 423 nm. The polymeric fluorescence sensor showed good sensitivity and a wide linear range from 9.61 × 10-10 and 9.61 × 10-9 mol/L for AFB1quantification. The limit of detection (LOD) is as low as 3.84 × 10-10 mol/L for AFB1. Other mycotoxins, such as aflatoxin B2 and aflatoxin G1, did not interfere with the sensor's high selectivity towards AFB1. To test the sensor's effectiveness in detecting AFB1 in real samples, three different grain samples - peanuts, hazelnut butter, and peanuts with a sauce known to contain AFB1 - were utilized. The results were satisfactory and demonstrated that the sensor can be successfully employed in real samples, with an error range of 0.43 % to 12.10 %.

An integrated and rapid evaluation of Curcumae Radix from different botanical origins based on chemical components, antiplatelet aggregation effect and Fourier transform near-infrared spectroscopy.

Curcumae Radix (CR) is a widely used traditional Chinese medicine with significant pharmaceutical importance, including enhancing blood circulation and addressing blood stasis. This study aims to establish an integrated and rapid quality assessment method for CR from various botanical origins, based on chemical components, antiplatelet aggregation effects, and Fourier transform near-infrared (FT-NIR) spectroscopy combined with multivariate algorithms. Firstly, ultra-performance liquid chromatography-photodiode array (UPLC-PDA) combined with chemometric analyses was used to examine variations in the chemical profiles of CR. Secondly, the activation effect on blood circulation of CR was assessed using an in vitro antiplatelet aggregation assay. The studies revealed significant variations in chemical profiles and antiplatelet aggregation effects among CR samples from different botanical origins, with constituents such as germacrone, ß-elemene, bisdemethoxycurcumin, demethoxycurcumin, and curcumin showing a positive correlation with antiplatelet aggregation biopotency. Thirdly, FT-NIR spectroscopy was integrated with various machine learning algorithms, including Artificial Neural Network (ANN), K-Nearest Neighbors (KNN), Logistic Regression (LR), Support Vector Machine (SVM), and Subspace K-Nearest Neighbors (Subspace KNN), to classify CR samples from four distinct sources. The result showed that FT-NIR combined with KNN and SVM classification algorithms after SNV and MSC preprocessing successfully distinguished CR samples from four plant sources with an accuracy of 100%. Finally, Quantitative models for active constituents and antiplatelet aggregation bioactivity were developed by optimizing the partial least squares (PLS) model with interval combination optimization (ICO) and competitive adaptive reweighted sampling (CARS) techniques. The CARS-PLS model achieved the best predictive performance across all five components. The coefficient of determination (R2p) and root mean square error (RMSEP) in the independent test sets were 0.9708 and 0.2098, 0.8744 and 0.2065, 0.9511 and 0.0034, 0.9803 and 0.0066, 0.9567 and 0.0172 for germacrone, ß-elemene, bisdemethoxycurcumin, demethoxycurcumin and curcumin, respectively. The ICO-PLS model demonstrated superior predictive capabilities for antiplatelet aggregation biotency, achieving an R2p of 0.9010, and an RMSEP of 0.5370. This study provides a valuable reference for the quality evaluation of CR in a more rapid and comprehensive manner.

In situ study on articular cartilage degeneration in simulated microgravity by HOF-ATR-FTIR spectroscopy.

Fourier transform infrared spectroscopy (FTIRS) can provide rich information on the composition and content of samples, enabling the detection of subtle changes in tissue composition and structure. This study represents the first application of FTIRS to investigate cartilage under microgravity. Simulated microgravity cartilage model was firstly established by tail-suspension (TS) for 7, 14 and 21 days, which would be compared to control samples. A self-developed hollow optical fiber attenuated total reflection (HOF-ATR) probe coupled with a FTIR spectrometer was used for the spectral acquisition of cartilage samples in situ, and one-way analysis of variance (ANOVA) was employed to analyze the changes in the contents of cartilage matrix at different stages. The results indicate that cartilage degenerates in microgravity, the collagen content gradually decreases with the TS time, and the structure of collagen fibers changes. The trends of proteoglycan content and collagen integrity show an initial decrease followed by an increase, ultimately significantly decreasing. The findings provide the basis for the cartilage degeneration in microgravity with TS time, which must be of real significance for space science and health detection.

Application of FTIR two-dimensional correlation spectroscopy (2D-COS) analysis in characterizing environmental behaviors of microplastics: A systematic review.

Microplastics (MPs) are ubiquitous in the environment, continuously undergo aging processes and release toxic chemical substances. Understanding the environmental behaviors of MPs is critical to accurately evaluate their long-term ecological risk. Generalized two-dimensional correlation spectroscopy (2D-COS) is a powerful tool for MPs studies, which can dig more comprehensive information hiding in the conventional one-dimensional spectra, such as infrared (IR) and Raman spectra. The recent applications of 2D-COS in analyzing the behaviors and fates of MPs in the environment, including their aging processes, and interactions with natural organic matter (NOM) or other chemical substances, were summarized systematically. The main requirements and limitations of current approaches for exploring these processes are discussed, and the corresponding strategies to address these limitations and drawbacks are proposed as well. Finally, new trends of 2D-COS are prospected for analyzing the properties and behaviors of MPs in both natural and artificial environmental processes.

Innovative label-free lymphoma diagnosis using infrared spectroscopy and machine learning on tissue sections.

The diagnosis of lymphomas is challenging due to their diverse histological presentations and clinical manifestations. There is a need for inexpensive tools that require minimal expertise and are accessible for routine laboratories. Contrastingly, current conventional diagnostic methods are often found only in specialized environments. Attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy offers a nondestructive and user-friendly approach in the analysis of a wide range of samples. In this paper, we determined whether the technique coupled with machine learning can detect and differentiate lymphoma within lymphoid tissue samples. Tissue sections from 295 individuals diagnosed with lymphoma and 389 individuals without the disease were analyzed using ATR-FTIR spectroscopy. The resulting spectral dataset was split using a 70:30 train-test split. Partial least Squares Discriminant Analysis (PLS-DA) models were trained to distinguish non-malignant lymphoid tissue from lymphoma samples and to differentiate between subtypes. On the training set (n = 478), significant spectral differences were mainly identified in the 1800-900 cm-1 region, attributed to fundamental biochemical constituents like proteins, lipids, carbohydrates, and nucleic acids. On the independent test set (n = 206), the trained PLS-DA model achieved a promising AUC of 0.882 (95% CI: 0.881-0.884) in the differentiation between lymphoma and non-malignant lymphoid tissue. In addition, comparative analyses revealed spectral distinctions and notable clustering between the different lymphoma subtypes. This study provides valuable insights into the application of ATR-FTIR spectroscopy and machine learning in the field of lymphoma diagnosis as a non-destructive, rapid and inexpensive tool with the potential to be easily implemented in non-specialized laboratories.

Effect of adding various supplements on physicochemical properties and starch digestibility of cooked rice.

This study investigated the physicochemical modifications of cooked rice caused by adding various supplements (rapeseed oil, dried wasabi powder, and dried chili pepper powder). The physicochemical and digestive properties of treated cooked rice were analyzed using multiple techniques to determine the impact of supplements on the rice quality, including its starch digestibility. All samples with added supplements showed an increase in surface firmness (0.77-0.95 kg·m/s2 (N)) and a decrease in thickness (2.23-2.35 mm) and surface adhesiveness (1.43-7.22 J/m3). Compared to the control group, two absorption peaks at 2856 and 1748 cm-1 and new signals at 1683 and 1435 cm-1 appeared in the Fourier transform infrared (FTIR) spectroscopy. Analysis of FTIR results revealed that the interaction force was mainly through noncovalent interactions. Moreover, adding supplements increased the resistant starch (RS) levels in all samples. Scanning electron microscopy (SEM) suggested that oil-enriched phases, proteins, and polyphenols could cause large agglomeration and loose gel structure. These results suggested the formation of amylose-guest molecule complexes, which may influence starch functionality. Our work could provide insight into the starch-supplement interactions and the key factors affecting starch digestibility.

Physical/mechanical and antibacterial properties of composite resin modified with selenium nanoparticles.

BACKGROUND: Accumulation of biofilm over composite resin restorations is one of the principal causes of recurrent caries. Therefore, this study aimed to develop antibacterial composite resins by crystalline selenium nanoparticles (SeNPs), assessing the antibacterial, mechanical, and physical properties of the composite resin after SeNPs incorporation. METHODS: SeNPs were synthesized via a green method. The nanoparticles were characterized by UV-Vis spectroscopy, fourier transform infrared (FT-IR) spectroscopy and transmission electron microscopy (TEM). The nano-filled composite (Filtek™ Z350XT ) was considered as a control group (G0). Two concentrations of SeNPs (0.005 wt% and 0.01 wt%.) were added to the tested resin composite (G1& G2), respectively. The physical/mechanical and antibacterial properties of the composite specimens (n = 10/group) were characterized. A one-way ANOVA was conducted to analyze these data followed by Bonferroni post hoc test for pairwise comparison. RESULTS: Modified composites with SeNPs showed antibacterial activity against E. coli and S. mutans. Mechanical properties including diametral tensile strength, compressive strength, or surface roughness were not affected by nano-incorporation compared to control. Furthermore, the degree of conversion showed no statistical difference. However, SeNPs incorporation into resin composite produces color change that can be visually perceived. CONCLUSIONS: The green synthesized SeNPs significantly improved the antimicrobial properties of the dental composite without compromising mechanical performance. However, it shows color change after SeNPs incorporation.

Comparative Evaluation of Antimicrobial Efficacy of Silver Nanoparticles Infused with Azadirachta indica Extract and Chlorhexidine Against Red-complex Pathogens.

AIM: The present study aimed to evaluate the antimicrobial efficacy of silver nanoparticles infused with Azadirachta indica extract and chlorhexidine against red-complex periopathogens. MATERIALS AND METHODS: Neem leaf extraction was done followed by standardization to the synthesis of neem-infused silver nanoparticles and fractionation of compounds done by using thin layer chromatography to separate the mixture of neem leaf extract. Characterization of neem-infused silver nanoparticles was done by scanning electron microscopy and UV-Visible spectroscopy. The compound identified in neem-infused silver nanoparticles was gedunin which was confirmed by Fourier transform infrared spectroscopy and nuclear magnetic resonance spectroscopy. Determination of antibacterial activity done by disc diffusion, minimum inhibitory concentration (MIC), and minimum bactericidal concentration (MBC) methods. Group I-99% ethanolic extract, group II-neem-infused silver nanoparticles (NAgNPs), group III-chlorhexidine. RESULTS: The relative inhibitory zone value for Tannerella forsythia (180) in neem-infused silver nanoparticles (group II) was greater when compared with other periopathogens Porphyromonas gingivalis (133) and Treponema denticola (160) than 99% ethanolic extract (group I), chlorhexidine (group III). Neem-infused silver nanoparticles (group III) showed superior antimicrobial activity against T. forsythia (19.3 ± 31.1547) and T. denticola (18±0) when compared with P. gingivalis (17.6 ± 0.5774). On evaluating MIC and minimum bacterial concentrations, P. gingivalis is more resistant than other pathogens in neem-infused silver nanoparticles (group III). CONCLUSION: Neem-infused silver nanoparticles exhibited superior antibacterial activity as compared with gold-standard chlorhexidine against red-complex periodontal pathogens. For MIC and MBC all the three periopathogens were effective but P. gingivalis was more resistant. CLINICAL SIGNIFICANCE: Antibiotics are effective against many drug-resistant bacteria. As a ready-made medicine, they can be used to treat many infections. Silver nanoparticles in drug delivery systems generally increase solubility, stability, and biodistribution, thereby increasing their effectiveness. Green synthesis using plant extracts as precursors to synthesize nanoparticles has proven to be environmentally non-hazardous combined with remarkably improved efficacy against bacterial and viral diseases. So neem-infused silver nanoparticles can be utilized as a drug delivery system. Hence, it can be used as a potential antibacterial ingredient in formulations for periodontal use like mouthwashes and gels for local drug delivery. How to cite this article: Krishnappan S, Ravindran S, Balu P, et al. Comparative Evaluation of Antimicrobial Efficacy of Silver Nanoparticles Infused with Azadirachta indica extract and Chlorhexidine Against Red-Complex Pathogens. J Contemp Dent Pract 2024;25(6):547-553.

Synthesis and Characterization of a Chemico-structurally Modified Bis-GMA Analog for Dental Applications.

AIM: This study aimed to synthesize and characterize a novel Bis-GMA analog, termed P-Bis-GMA, through structural modification by replacing hydroxyl (-OH) groups with phosphonooxy [-O-P(=O)(OH)2] groups and to evaluate and compare its viscosity with Bis-GMA. MATERIALS AND METHODS: Bis-GMA, triethylamine, dichloromethane, and phosphoryl chloride were utilized for the synthesis of P-Bis-GMA through phosphorylation. Fourier discerned the chemical structure of the synthesized P-Bis-GMA transform infrared spectroscopy (FTIR), and its viscosity was assessed by rheometry in oscillatory shear mode over a frequency sweep range of 0.1-100 (ω, rad/s) at 25°C with a 25 mm parallel plate design and a 0.5 mm gap. The data was recorded and statistically analyzed. RESULTS: The FTIR analysis confirmed the successful synthesis of P-Bis-GMA, evidenced by the disappearance of hydroxyl (-OH) peaks and the emergence of phosphonooxy [-O-P(=O)(OH)2] peaks in the P-Bis-GMA. Rheological testing demonstrated a notable reduction in viscosity for P-Bis-GMA (436.62 Pa.s) when compared to conventional Bis-GMA (1089.02 Pa.s), indicating improved handling characteristics. CONCLUSION: P-Bis-GMA was successfully synthesized by phosphorylation reaction where the -OH groups responsible for the high viscosity in the Bis-GMA were replaced with the [-O-P(=O)(OH)2] groups with significantly reduced viscosity. CLINICAL SIGNIFICANCE: The development of P-Bis-GMA holds promise for simplifying dental procedures by reducing chairside time with uncooperative children. The P-Bis-GMA-based composites possess self-adhering properties thereby eschewing the etching and bonding procedures with reduced moisture contamination of the restoration during bonding. This ultimately leads to better clinical outcomes and improved patient experiences by reducing technical vulnerabilities. How to cite this article: Ajay R, Selvabalaji A, Muthamilselvi M, et al. Synthesis and Characterization of a Chemico-structurally Modified Bis-GMA Analog for Dental Applications. J Contemp Dent Pract 2024;25(6):588-592.

Plant phytochemicals-mediated synthesis of zinc oxide nanoparticles with antimicrobial, pharmacological, and environmental applications.

Nanotechnology is a fast-growing field with large number of applications. Therefore, the current study, was designed to prepare Zinc Oxide nanoparticles (ZnO NPs) from A. modesta leaves extract through a cost-effective method. The prepared NPs were characterized through UV-Vis Spectroscopy (UV-Vis), Dynamic light scattering (DLS), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction analysis (XRD), scanning electron microscope (SEM), and energy dispersive X-ray (EDX). The XRD and DLS analysis revealed the hexagonal nanocrystalline nature of ZnO NPs. The FTIR results displayed multiple fictional groups and UV results confirmed its optical properties. The average size of the NPs was 68.3 nm with a band gap of 2.71 eV. The SEM images divulge a clover leaf shape of ZnO NPs. The EDX spectrum revealed the presence of zinc and oxygen. The prepared NPs showed excellent biomedical application. The highest antileishmanial activity was 68%, anti-inflammatory activity was 78%, total antioxidant capacity (TAC) was 79.1%, antibacterial potential (ZOI) 22.1 mm, and highest growth inhibition of 85 ± 2.1% against A. rabiei. The adsorption efficiency of 85.3% within 120 min was obtained. Conclusively ZnO NPs have shown potential biomedical and environmental applications and ought to be the more investigated to enhance their practical use.

A modular approach to 3D-printed bilayer composite scaffolds for osteochondral tissue engineering.

Prolonged osteochondral tissue engineering damage can result in osteoarthritis and decreased quality of life. Multiphasic scaffolds, where different layers model different microenvironments, are a promising treatment approach, yet stable joining between layers during fabrication remains challenging. To overcome this problem, in this study, a bilayer scaffold for osteochondral tissue regeneration was fabricated using 3D printing technology which containing a layer of PCL/hydroxyapatite (HA) nanoparticles and another layer of PCL/gelatin with various concentrations of fibrin (10, 20 and 30 wt.%). These printed scaffolds were evaluated with SEM (Scanning Electron Microscopy), FTIR (Fourier Transform Infrared Spectroscopy) and mechanical properties. The results showed that the porous scaffolds fabricated with pore size of 210-255 µm. Following, the ductility increased with the further addition of fibrin in bilayer composites which showed these composites scaffolds are suitable for the cartilage part of osteochondral. Also, the contact angle results demonstrated the incorporation of fibrin in bilayer scaffolds based on PCL matrix, can lead to a decrease in contact angle and result in the improvement of hydrophilicity that confirmed by increasing the degradation rate of scaffolds containing further fibrin percentage. The bioactivity study of bilayer scaffolds indicated that both fibrin and hydroxyapatite can significantly improve the cell attachment on fabricated scaffolds. The MTT assay, DAPI and Alizarin red tests of bilayer composite scaffolds showed that samples containing 30% fibrin have the more biocompatibility than that of samples with 10 and 20% fibrin which indicated the potential of this bilayer scaffold for osteochondral tissue regeneration.

Optimizing near infrared laser irradiation and photosensitizer accumulation period for indocyanine green-mediated photodynamic therapy in breast cancer xenografts: a focus on treatment and characterization.

Photodynamic therapy (PDT) is a promising cancer treatment approach. Indocyanine green (ICG) is a water-soluble tricarbocyanine dye with a peak absorption wavelength of around 800 nm and possesses the capacity to produce reactive oxygen species. FTIR spectroscopy is rarely used and offers insights into molecular changes in cancer studies. MCF-7 cells were injected into Nude mouse. Once the tumor had grown to a size of 3-4 mm, mice were randomized into the 12 PDT groups. After each mouse received 5 mg/kg of ICG, they were photo-irradiated with a diode laser emitting light at 809 nm, followed by waiting intervals of 0, 30, 60, and 90 min. Laser irradiation parameters were 150, 250, 500 mW/cm2 and irradiation duration was 1200s. The tumor size was measured every day for four days. The FTIR spectroscopy was used to perform spectral analysis on tumor tissue samples. Four distinct regions (3600-2800 cm-1, 1750-1550 cm-1, 1540-1450 cm-1, and 1700-1100 cm-1) were analyzed, and Hierarchical Cluster study was carried out. A decrease in tumor volume was observed with all PDT applications, except, increases in tumor volume was observed at 150mW 90-minute group. PDT administered after 90 min revealed variations in 150mW and 250mW laser powers in the 3600 cm-1-2800 cm-1 range. The 250mW and 500mW applications resulted in a considerable reduction in fibroadenoma and carcinoma tissues, according to an analysis comparing the A1695 / A1635 ratio. It is proposed that the ideal treatments for further investigation have a power output of 250 mW.

Facile synthesis of Fe-doped ZIF-8 and its adsorption of phosphate from water: Performance and mechanism.

To remove phosphate from water, a novel Fe-doped ZIF-8 was synthesized as a superior adsorbent. The Fe-doped ZIF-8 was fully characterized using different characterization techniques and it was found that the as-prepared Fe-doped ZIF-8 (denoted as ZIF-(2Zn:1Fe)) showed a polyhedral morphology with a large specific surface area of 157.64 m2/g and an average pore size of 3.055 nm. Analyses using Fourier transform infrared (FTIR) spectroscopy and X-ray diffraction showed that Fe atoms were successfully incorporated into the ZIF-8 skeleton. Batch experiments demonstrated that the molar ratio of Fe and Zn has effects on phosphate adsorption. The adsorption kinetics conformed to a pseudo-second-order model with a high correlation coefficient (R2 = 0.9983). The adsorption isotherm matched the Langmuir model (R2 = 0.9994) better than the Freundlich model (R2 = 0.7501), suggesting that the adsorption of phosphoric acid by ZIF-(2Zn:1Fe) can be classified as a chemisorption on a homogeneous surface. The adsorption amount was 38.60 mg/g. It was found that acidic environments favored the adsorption reaction and the best adsorption was achieved at an initial pH of 2. Inhibition of adsorption by common anions is NO3-> CO32-> SO42-> Cl-. Characterization results indicate that the main mechanism of adsorption is surface complexation interactions.

Biosynthesis of metal/metal oxide nanoparticles via Deverra tortuosa: characterization, GC/MS profiles, and biological potential.

Since the beginning of humanity, people have used wild medicinal plants for the treatment of various diseases. Nowadays, researchers and scientists pay attention to exploring new tools to maximize the efficacy of natural products from natural resources, and among these tools formulation of nanoparticles is very promising. The green synthesis of metal/metal oxide nano-solutions using the Deverra tortuosa extract has still not been explored well. This study aims to prepare many metal/metal oxide nanoparticle solutions such as ZnO-NPs, SeO2-MNPs, and Ag-NPs via the methanol extract of D. tortuosa as safe, easy, green, and economic approach as well as characterize the chemical components of D. tortuosa plant by GC-MS spectroscopy analysis. The synthesized M-NPs solutions were characterized by UV-visible (UV-Vis) spectroscopy, Transmission Electron Microscope (TEM), zeta potential, Fourier Transform Infrared (FT-IR) spectroscopy, and phytochemical analyses. The potential antioxidant capacity was estimated for the methanol extract of this plant along with the metal/metal oxide nanoparticles solutions by DPPH assay. In addition, the cytotoxic activity was in vitro assessed for the inspected samples against various tumor and normal cell lines applying MTT assay. The application of the D. tortuosa methanolic extract resulted in NPs with a range of 11.79-85.9 nm which was characterized by UV-Vis spectroscopy, TEM, zeta potential, and FT-IR spectroscopy that revealed various functional groups of the tested samples. The GC-MS analysis of the D. tortuosa methanolic extract showed the presence of 31 chemical compounds with 2-methyl-3-oxocyclopent-1-ene-1-carboxylic acid, methyl oleate, and 6-allyl-4,5-dimethoxybenzo[d][1,3]-dioxole as major constituents. The extract showed considerable antioxidant activity as well as antimicrobial activity that was assessed also against varied bacterial and fungal species. Remarkable potencies for the investigated metal/metal oxide nanoparticle solutions hinder the growth of the tumor cell lines, in addition to the growth of the microbial species. Based on the determined biological activities of the produced NPs, future study is recommended to characterize the pure authentic compounds that are identified within the D. tortuosa as major compounds as well as evaluate their modes of action.

Infrared spectroscopy as a new approach for early fabry disease screening: a pilot study.

BACKGROUND: Fabry disease (FD) is a rare X-linked lysosomal storage disorder marked by alpha-galactosidase-A (α-Gal A) deficiency, caused by pathogenic mutations in the GLA gene, resulting in the accumulation of glycosphingolipids within lysosomes. The current screening test relies on measuring α-Gal A activity. However, this approach is limited to males. Infrared (IR) spectroscopy is a technique that can generate fingerprint spectra of a biofluid's molecular composition and has been successfully applied to screen numerous diseases. Herein, we investigate the discriminating vibration profile of plasma chemical bonds in patients with FD using attenuated total reflection Fourier-transform IR (ATR-FTIR) spectroscopy. RESULTS: The Fabry disease group (n = 47) and the healthy control group (n = 52) recruited were age-matched (39.2 ± 16.9 and 36.7 ± 10.9 years, respectively), and females were predominant in both groups (59.6% and 65.4%, respectively). All patients had the classic phenotype (100%), and no late-onset phenotype was detected. A generated partial least squares discriminant analysis (PLS-DA) classification model, independent of gender, allowed differentiation of samples from FD vs. control groups, reaching 100% sensitivity, specificity and accuracy. CONCLUSION: ATR-FTIR spectroscopy harnessed to pattern recognition algorithms can distinguish between FD patients and healthy control participants, offering the potential of a fast and inexpensive screening test.

Infrared spectroscopic characterization of sesamin, a dietary lignan natural product.

Sesamin, a lignan component of sesame seed oil, has shown pharmacologic benefits, such as anti-oxidative and anti-inflammatory qualities. However, the amount of data available to the field is surprisingly sparse, as for instance there is no known spectroscopic characterization of sesamin. This work provides the first experimental infrared spectrum of sesamin. Sesamin powder was subjected to experimental Fourier-transform infrared spectroscopy, and the resulting spectrum was compared to quantum chemical calculations of sesamin's stereoisomers in various hydration states. Major peaks of sesamin were assigned vibrational modes through comparison of computed and observed spectra. Multiple sesamin species may be present in a typical powder sample, coexisting with potential trace hydration.