Identification Of Functional Groups Research Articles

Photocatalytic degradation of indigo carmine dye by hydrothermally synthesized graphene nanodots (GNDs): investigation of kinetics and thermodynamics.

Graphene nano dots (GNDs) are an intriguing emerging class of materials at the nano scale with distinctive characteristics and exciting potential applications. Graphene oxide was synthesized in a lab setting using a modified version of Hummers' approach and used as a precursor for synthesis of graphene nano dots. Graphene oxide is then treated through hydrothermal treatment to produce GNDs with exact control over their size and form. Synthesized graphene nano dots were subjected to various instruments to study morphology, crystallinity, size and other properties. UV-visible spectroscopy was used to detect the maximum absorbance of light. For functional group identification, FTIR analysis was conducted. X-ray diffraction analysis explained structural composition and various other parameters i.e., crystal size and diameter, which was further verified by Vesta software. Surface morphology of GNDs was analyzed by scanning electron microscopy. AFM analysis of GNDs demonstrates the topography of the surface. The photo degradation of the indigo carmine dye by the GNDs also demonstrates their superiority as UV-visible light driven photo catalysts. To evaluate the results, the thermodynamics and kinetics of the degradation reactions are examined. The effects of several factors, such as temperature, initial concentration, time, pH and catalyst concentration, are also investigated. The data will be analyzed statistically by regression and correlation analysis using dependent and independent variables, regression coefficient and other statistical techniques.

Preparation of Manganese Doped Bismuth Oxide for the photocatalytic Degradation of Methylene Blue

The current study describes a unique method for degrading methylene blue dye utilizing Mn-doped Bi2O3 nanoparticles (NPs) exposed to UV light. Bi2O3 nanoparticles (NPs) doped with Mn were produced using a hydrothermal process. Scanning electron microscopy (SEM), energy-dispersive X-ray analysis (EDX), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and were use to characterize the prepared nanoparticles. It was discovered that the band gaps of Mn/ Bi2O3 NPs are 2%, 3%, and 4%, respectively, and are 4.13 eV, 3.92 eV, and 3.77 eV. Functional group identification using Fourier transforms infrared spectroscopy (FT-IR). Mn-doped Bi2O3 nanoparticles were captured in SEM pictures at various magnifications, and the photos clearly display the particles' dual morphologies, cubic and cylindrical. The Mn-doped Bi2O3 particles were found to be crystalline, with mean diameters of 20 nm, according to the XRD data. The photodegradation efficiency of Mn/Bi2O3 at experimental dye concentrations of 2%, 3%, and 4% was determined to be 90.29, 91.6, and 93.16 percent, respectively, over a 150 minute time interval. At the ideal catalyst dosage of 0.2 g and concentration of 40 ppm, a high percentage of dye degradation was observed. Numerous metals have been doped into zinc oxides, although no work has documented doping of Bi2O3 with Mn. Additionally, it was utilized for the first time to look at the deterioration of Methylene Blue dye.

Fcg-Former: Identification of Functional Groups in FTIR Spectra Using Enhanced Transformer-Based Model.

Deep learning (DL) is becoming more popular as a useful tool in various scientific domains, especially in chemistry applications. In the infrared spectroscopy field, where identifying functional groups in unknown compounds poses a significant challenge, there is a growing need for innovative approaches to streamline and enhance analysis processes. This study introduces a transformative approach leveraging a DL methodology based on transformer attention models. With a data set containing approximately 8677 spectra, our model utilizes self-attention mechanisms to capture complex spectral features and precisely predict 17 functional groups, outperforming conventional architectures in both functional group prediction accuracy and compound-level precision. The success of our approach underscores the potential of transformer-based methodologies in enhancing spectral analysis techniques.

Isolation, Characterization and Antibacterial Activity Study of Bioactive Compounds from Leaves of Cyphostemma cyphopetalum

Background:: Cyphostemma cyphopetalum is a herbaceous climber species within the Vitaceae family, found in various tropical and subtropical regions of Africa. It has a history of traditional use in Ethiopia for treating various health issues in humans and livestock, includ-ing snake bites, rabies, and eczema. Despite its reported ethnomedicinal uses, there is a lack of sufficient scientific literature regarding the isolation and characterization of its bioactive chem-ical compounds. Objective:: The objective of this work was to isolate bioactive compounds from the leaves of Cyphostemma cyphopetalum, characterize their chemical structures using FTIR and NMR spec-troscopy, and evaluate their antimicrobial activities. Methods:: Isolation was done using column chromatographic separation techniques. Spectro-scopic techniques, including Fourier transform infrared and nuclear magnetic resonance, were used for functional group identification and structural elucidation. Moreover, the paper disc dif-fusion bioassay method was used to evaluate the antibacterial activity of the isolated bioactive compounds. Results:: Three fractions were successfully isolated using chloroform with dichloromethane and chloroform with ethyl acetate as eluting solvents and silica gel as a stationary phase. After care-ful interpretation of the experimental results and comparison with the literature, the isolated fractions were constituted mainly by stigmasterol (fraction 1), β-sitosterol (fraction 2), and trans-resveratrol (fraction 3). The antibacterial activities of each isolated fraction were tested against Ralstonia solanacearum, a gram-negative bacterium, and Staphylococcus aureus, a gram-positive bacterial pathogen.Comparatively, the highest mean inhibitory value of 10.03 ± 0.13 mm was exhibited by fraction 2, which was followed by 6.25±0.05 mm inhibition activity recorded for fraction 1 against R. solanacearum, while fraction 3 did not exhibit any bacterial activity against both the strains. Conclusion:: We have successfully isolated and characterized three compounds (1-3) from leaves of C. cyphopetalum and evaluated their antibacterial activity. A maximum mean inhibi-tory value of 10.03 ± 0.13 mm was exhibited by compound 2 against R. solanacearum.

The effect of methylene blue on water hardness and antibacterial activity and the environment

This research was carried out to compare complexometric titration methods for the determination of water hardness in the presence of two colored indicators. The complexometric titration with EDTA method has evolved from the typical method of determining water hardness rates used in various references in several countries. Our objective is to make a comparison between Methylene Blue (MB) and Eriochrome black T (EBT) used as color indicators to determine the hardness in drinking water as a function of the flow. Several chemical – physic were used to determine the maximum absorbance of the two dyes UV-visible, identification of functional groups by infrared spectroscopy (FT-IR), supported by the effect of concentration conductivity, pH and turbidity and density. Test results to determine water hydrometric title (TH) in the presence of two colored indicators indicated that the equivalent volume values (Veq) are doubled for the BM indicator compared to the EBT indicator however with impressive TH values in two different intervals between 10 < TH< 20 and 30 < TH < 50. This shows that the colored indicator Methylene Blue has important differences. An antibacterial activity is observed on the dye by the disk method on four bacteria in the agar culture medium, from which it can be said that there is sensitivity to antimicrobial agents against methylene blue.

Bioactive compositions and identification of functional groups of selected medicinal plants

Medicinal plants, either as standardized extracts or in their pure forms, offer countless propects for new drug leads and also possess a good range of nutritional benefits due to the presence of bioactive organic chemical compounds called phytochemicals that act as a defense against a variety of diseases. This study focus was to investigate the bioactive compounds, and identification of functional groups of three medicinal plants; Monodora myristica, Parkia biglobosa, and Azadirachta indica. The solvents used were methanol, water and ethanol respectively. Gas Chromatography- Mass Spectroscopy (GC-MS) assay was used for the analysis of bioactive compounds and Fourier-Transform Infrared Spectroscopy (FTIR) method was used for the identification of functional groups in the plant extracts. Results revealed several bioactive compounds at different peaks that were confirmed by their retention time, compound name, structure and percentage composition. FTIR analysis revealed different functional groups with distinct characteristic wave numbers, peak intensity, peak shape and bonds in the plant extracts. Among the identified phytocompounds of Monodora myristica, phenol, dodecanoic acid, hexadecane, n-hexadecanoic acid, 1-octadecene, and 1-eicosanol possess antioxidant property. Similarly, some of the identified phytocompounds of Parkia biglobosa; dodecanoic acid, hexadecanoic acid, 9-octadecene, naphthalene, 3-eicosene and n-hexadecanoic acid possess antioxidant property. Likewise, Hexadecane, hexadecenoic acid, 3-eicosene and n-hexadecanoic acid are phytocompounds of Azadirachta indica with antioxidant property. This study demonstrated these plants as a great source of naturally occurring bioactive compounds with therapeutic value, which supports their application in medicine to treat a variety of diseases.

Insights into the dynamic symphony: a comprehensive computational exploration of pure and fluorinated 6O.6 liquid crystals with the help of DFT analysis

ABSTRACT This article is based on the Density Functional Theory (DFT) simulations approach to examine the structural and vibrational behaviour of pure 6O.6 and fluorinated 6O.6 liquid crystalline compounds. The molecular interactions of the molecules were investigated by their optimised molecular structure. Identification of significant functional groups and their dynamic behaviours are made with the help of vibrational frequencies obtained through DFT calculations. Vibrational Energy Distribution Analysis (VEDA) software was used to perform the Potential Energy Distribution (PED) function of FT-IR and Raman spectra. Furthermore, changes in vibrational peaks provide insight into structural modifications. This investigation mainly focused on analysing the different reactivity, thermodynamic parameters and non-linear optical (NLO) properties of the compounds. This also helps to open a new path for further investigations into optoelectronic applications and molecular dynamics.

Exploring the effect of concentration on hydrothermally synthesized mesoporous spherical nanoflowers of bismuth tungstate for hybrid supercapacitor and water-splitting applications

This paper describes how the synergistic effect of concentration changes the electrode conductivity and enhances the electrochemical and electrocatalytic activities of bismuth tungstate nanoflowers (BWO NFs). This research mainly aims to develop mesoporous spherical BWO NFs using a hydrothermal route. The structural analysis of the BWO NFs revealed the presence of an orthorhombic phase with a regular atomic arrangement. Scanning electron microscopy revealed that the different BWO NFs samples had nonuniform spherical NFs, which play an important role in supercapacitor and electrocatalytic applications. The identification of functional groups and stretching–bending vibrations of Bi–W–O bonds are revealed by FT-IR and Raman spectroscopy respectively. Additionally, the transmission electron microscopy and X-ray photoelectron spectroscopy confirmed the morphological, structural, and electronic states of the BWO NFs. Furthermore, the supercapacitive and electrocatalytic activity of BWO–nickel foam (NF) electrodes were investigated using an aqueous 1 M KOH electrolyte. The results revealed that the BWO-2 electrode exhibited an improved specific capacity (Csp) of (647 F/g) 72 mAh/g and excellent capacitive retention of 81 % over 5000 cycles. An asymmetrical hybrid device was fabricated using a two-electrode cell with BWO–NF and reduced graphene oxide acting as the positive and negative electrodes, respectively. The device demonstrated favorable electrochemical properties: a Csp of 52 mAh/g at 5 mV/s as well as a Csp of 46 mAh/g, the highest energy density of 32 Wh/kg, and the highest power density of 2330 W/kg at 5 mA/cm2. Furthermore, the BWO NFs were investigated for water-splitting activity, and the BWO-2 electrode was found to exhibit better electrocatalytic performance (overpotential: 328 mV, Tafel slope: 80.9 mV/dec, and electrochemical surface area: 41.2 cm2) and stability than the other electrodes. The designed asymmetric structure offers a suitable cathode material for energy storage and electrocatalytic applications.

Electrochemical potential of chitosan nanoparticles obtained by the reverse micellar process

Chitosan nanoparticles are synthesized by the reverse micellar technique using heptane as solvent and hexamine as surfactant. XRD, FTIR, and SEM/EDAX analyses are performed to investigate the structural and morphological behavior of chitosan nanoparticles. XRD shows the crystalline nature of the materials with peaks appeared at 2θ =17.8 °, 25.5 °, 31.2 °, 36.4 °, 44.7 °, and 48.5 °. The average crystallite size of obtained chitosan nanoparticles is 25 nm. The identification of functional groups in both pure chitosan and chitosan nanoparticles are compared using FTIR analysis. Noticed at wavenumbers 3435 cm−1 and 3460 cm−1 corresponds to the stretching vibration of the –NH2 and –OH functional groups. SEM shows the uniform morphology of the materials and EDAX shows the presence of various elements (carbon, nitrogen, oxygen, aluminum and chlorine) in both the materials. The electrochemical behavior of the nanoparticles was analyzed by cyclic voltammetry analysis and galvanostatic charging/discharging. Electrochemical faradaic performance identifies chitosan nanoparticles as effective electrode materials in pseudo capacitors.

Hydrothermal synthesis of nickel vanadate (Ni2V2O7) microspheres as a catalyst for high-performance supercapacitor and water-splitting applications

In this work, the hydrothermal method was employed to synthesize the nickel vanadate microspheres (NVO MSs), an effective catalyst for supercapacitor and water-splitting applications. Specifically, X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT-IR), Raman spectroscopy, and Brunauer-Emmett-Teller (BET) were used to examine the crystal structure, surface morphology, functional group identification, the stretching-bending vibration of the N–V–O group, and the specific surface area respectively. Additionally, this paper reports the electrochemical aspects of NVO MSs in various concentrations of KOH electrolyte using nickel foam (NF) as a current collector. As a result, the NVO-NF 1 electrode exhibited excellent electrochemical activity with a higher specific capacitance (Cs) and capacity (Csp) of 959 F/g and 119 mAh/g at a current density of 5 mA/g respectively. Moreover, the NVO-NF 1 electrode delivers maximum energy (Ed) and power density (Pd) of 26 Wh/kg and 1100 W/kg and excellent stability with 90 % retention after 4000 CV cycles. In the asymmetric liquid state device (ASC), the NVO-NF acts as a cathode, and activated carbon (AC) as a anode materials respectively. Furthermore, the fabricated ASC device reveals maximum Ed and Pd of 47 Wh/kg and 2300 W/kg at 5 mA/g and also demonstrated superior stability over 5000 cycles. Furthermore, the significant finding of the NVO-NF 1 electrodes reveals superior electrocatalytic activities such as the lowest value of overpotential (234 mV), with the sufficient Tafel slope (73 mV/dec), as well as the maximum electrochemical active surface area (670.5 cm2) in 1 M KOH at 10 mA/cm2 respectively. As a result, better performance of the NVO-based MSs in 1 M KOH electrolyte was effectively applied to power effective electrodes for energy storage and water-splitting.

Biogenic silver nanoparticles of Moringa oleifera leaf extract: Characterization and photocatalytic application

Abstract The current study proposed a novel simple and environmentally friendly approach for producing silver nanoparticles (AgNPs) using an extract of Moringa oleifera leaves (MOL) and optimizing the different experimental factors required for the formation and stability of AgNPs. The formation of nanoparticles was confirmed by a color change from yellow to reddish-brown with a surface plasmon resonance band at 412 nm. The morphology, size, and elemental composition of AgNPs were investigated by zeta potential dynamic light scattering, field emission scanning electron microscopy, energy dispersive X-ray, X-ray diffraction, and transmission electron microscopy analysis, which showed crystalline and spherical AgNPs. The identification of functional groups was supported by Fourier-transform infrared spectroscopy. The photocatalytic activities of AgNPs were assessed in the degradation of organic Malachite green (MG) dye in the aqueous solution. Two kinetic adsorption models, the pseudo-first-order model and the pseudo-second-order model, and three isotherm models, the Langmuir, Freundlich, and Temkin, were used to mathematically characterize the MG degradation process. The pseudo-second-order kinetics and the Freundlich isotherm model were found to be in good agreement with the experimental data. As a result of their synergistic interaction with the MOL extract solution, the photocatalytic activity of AgNPs increases and they can successfully adapt to the photodegradation of organic dyes in industrial effluents.

Abstract 4421: Intracellular cytomatrix actin and the Warburg effect

Abstract Introduction: The cytoplasm of living cells is dynamic and the motion arising from fluctuating forces in cells is an active process, rather than being thermally induced. Motor proteins could be the primary causative force of intracellular movement. However, which motor protein is involved in the intracellular dynamics, what process requires fluctuational intracellular activity, and where the energy source comes from is unknown. To address the impact of intracellular motion in cellular processes, we chemically separated the viscous fluid (cytosol) and elastic solid (cytomatrix) phases of cytoplasm. The multiomic analysis was used to dissect the compositional differences between the liquid and solid phases. LC-MS/MS-based proteome analysis was used to identify the composition of the HCT-15 colon cancer cell cytomatrix. The mRNA translation was measured by Ribosome footprinting. Results: Since the kinesis of the solid phase can trigger liquid phase flux, the composition of the cytomatrix was the primary focus of the study of cytoplasmic motion. The systemic analysis of the cytomatrix constituency allowed the identification of a diverse functional group of proteomes that included cytoskeletal and structural elements of organoids, metabolic enzymes, and normal- and proto-oncogenic signaling pathways. The two-phase system elucidated how diverse chemical reactions can occur simultaneously within the cell cytoplasm. Namely, the immobilization of catalytic complexes on the solid cytomatrix physically segregates biochemical reactants, thereby overcoming spatial impediments and allowing diverse metabolic reactions to coincide. Actomyosin and other actin-binding proteins of cytomatrix were the most abundant and diverse proteome, indicating that the primary machinery driving cytomatrix mobility consists of actomyosin, actin-binding, and actin-regulating proteins of cytomatrix. The cytomatrix dynamics trigger the cytosolic motion that carries substrates to immobilized catalytic complexes of the cytomatrix, thereby increasing product output, which appears to be a more intense process in cancer cells due to genetic and epigenetic aberrations. Under normal physiological conditions, mitochondrial respiration can deliver the energy requirements of cytomatrix micromechanics, but in cancer cells, additional energy of ATP is supplied by the aerobic glycolysis known as the Warburg effect to provide the ATP surplus for actomyosin mechanics. Conclusion: The intracellular motion is supported through non-muscle actomyosin action of the solid phase (cytomatrix), permitting increased glycolytic pathway activity in tumor cells. This novel concept of cancer links the Warburg effect with the bioenergetics of cytomatrix micromechanics and the dynamics of metabolic processes in tumors. Thus, two of the mysteries in cancer cell biology, how chemical reactions occur in the cytoplasm and energy is generated by tumor cells, have now been linked. Citation Format: Tattym E. Shaiken. Intracellular cytomatrix actin and the Warburg effect [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2024; Part 1 (Regular Abstracts); 2024 Apr 5-10; San Diego, CA. Philadelphia (PA): AACR; Cancer Res 2024;84(6_Suppl):Abstract nr 4421.

Green synthesis of silver and gold nanoparticles in Callistemon viminalis extracts and their antimicrobial activities.

In the current study, the bottlebrush [Callistemon viminalis (Sol. ex Gaertn.) G. Don] plant was selected for the green synthesis of silver (Ag) and gold (Au) nanoparticles and to evaluate its antibacterial and antifungal activities. Phytochemical screening of C. viminalis confirmed the presence of alkaloids, anthraquinones, saponins, tannins, betacyanins, phlobatanins, coumarins, terpenoids, steroids, glycosides, and proteins. To characterize the synthesized Ag and Au NPs, UV-Visible spectroscopy, FTIR spectroscopy for functional group identification, field emission scanning electron microscopy (FE-SEM) for particle size, and elemental analysis were performed using EDX. The UV-Visible absorption spectra of the green-synthesized Ag and Au nanoparticles were found to have a maximum absorption band at 420 nm for Ag NPs and 525 nm for Au NPs. FE-SEM analysis of the synthesized NPs revealed a circular shape with a size of 100 nm. Elemental analysis was performed for the synthesis of Ag and Au NPs, which confirmed the purity of the nanoparticles. The greenly synthesized Ag and Au NPs were also evaluated for their anti-bacterial and anti-fungal activities, which exhibited prominent inhibition activities against Escherichia coli, Staphylococcus aureus, Klebsiella pneumoniae, Pseudomonas aeruginosa, Candida albicans, C. krusei, Aspergillus sp., and Trichoderma species. The highest zone of inhibition 15.5±0.75 and 15±0.85mm was observed for Ag NPs against E. coli and P. aeruginosa. Similarly, Trichoderma sp. and Aspergillus sp. were inhibited by Ag NPs up to 13.5±0.95 and 13±0.70mm. This work will open doors for the development of new antimicrobial agents using green chemistry.

Removal of Cephalexin-Antibiotic from Drinking Water by Designing CaCl2 Incorporated Chitosan Co- Tragacanth Gum Composite Hydrogel

Background: The prevalence of antibiotic contaminants in aquatic environments presents a critical challenge to public health, necessitating the development of efficient removal methods. Emerging pollutants, especially antibiotics, have been implicated in the rise of antibiotic-resistant bacteria, threatening ecological balance and human well-being. Objective: This study aims to synthesize and evaluate the efficacy of a CaCl2-based composite hydrogel using chitosan as a biopolymer for the adsorption of antibiotic pollutants from water, targeting the improvement of water purification technologies in healthcare settings. Methods: Chitosan-based composite hydrogels were synthesized via free radical polymerization, incorporating CaCl2 and utilizing techniques such as Field Emission Scanning Electron Microscopy (FESEM) for morphology analysis, Energy-dispersive X-ray (EDX) analysis for elemental verification, Fourier-transform infrared spectroscopy (FTIR) for functional group identification, and X-ray diffraction (XRD) to determine crystallinity. Physicochemical parameters, including contact time, pH, temperature, reusability, and swelling behavior in various media, were systematically assessed to ascertain the hydrogel's adsorptive performance. Results: The synthesized hydrogels demonstrated a porous and rough surface ideal for adsorption, with an initial antibiotic removal rate of 80% within 30 minutes of contact time. FTIR analysis confirmed the presence of functional groups corresponding to absorption bands at 1053, 1415, 1601, 2600, 2900, 3300, and 3500 cm-1. EDX and XRD analyses affirmed the incorporation of CaCl2, with a crystalline phase characterized by sharp peaks. The hydrogel's maximum adsorption efficiency reached 95% at an optimized adsorbent dose of 0.05 g. Conclusion: The CaCl2-based composite hydrogel exhibits significant potential for the removal of antibiotic pollutants from water, suggesting a viable approach to mitigate the environmental impact of pharmaceutical contaminants and enhance human health by reducing the spread of antibiotic resistance.

Heavy Metal Ions Removal from Aqueous Solution using NiZnFe2O4/TiO2 Nanocomposites Adsorbent

This research explores the adsorption effectiveness of NiZnFe2O4/TiO2 nanocomposites regarding Cr(VI). The nanocomposites were effectively synthesized utilizing coprecipitation and Stöber methods, incorporating diverse molar ratios of TiO2. The samples were subjected to characterization using methods such as X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy-energy dispersive X-ray (SEM-EDX), Fourier-transform infrared (FTIR), vibrating sample magnetometer (VSM), and ultraviolet-visible spectroscopy (UV-Vis). These analyses were conducted to evaluate the crystal structure, morphology, chemical bond formation, optical properties, magnetic properties, and removal efficiency of the specimens. XRD results showed that NiZnFe2O4 and TiO2 have a cubic and tetragonal structure. The crystallite size decreased as the TiO2 concentration increased. TEM image of NiZnFe2O4 reveals the formation of clusters, indicating uneven dispersion under agglomerated conditions. The average particle size is measured at (10.6 ± 0.8) nm. The Fourier-transform infrared (FTIR) analysis demonstrated the presence of functional groups O-H, C-H, and H-O-H, indicating the successful synthesis of the material. Moreover, the identification of MO-octahedral, MO-tetrahedral, and Ti-O functional groups suggested the formation of NiZnFe2O4/TiO2 nanocomposites. The incorporation of TiO2 had an impact on both the saturation magnetization and coercivity values, which fell within the ranges of 12.4 to 22.9 emu/g and 47 to 55 Oe, respectively. This finding indicates the presence of advantageous magnetic properties. The absorbance spectrum of these nanocomposites displayed a shift to the right (redshift), allowing them to absorb ultraviolet rays. The band gap of these nanocomposites ranges from (2.85 ± 0.02) to (3.29 ± 0.02) eV. Notably, NiZnFe2O4/TiO2 nanocomposites with a concentration ratio of 1:5 exhibit effective Cr(VI) removal efficiency, achieving a degradation value of 65.6%. The pseudo-kinetic model was first investigated to describe kinetic data and Cr(VI) removal determination. The SEM-EDX adsorbent results after adsorption showed the presence of Cr(VI) in the nanocomposites. Therefore, these results can promote NiZnFe2O4/TiO2 nanocomposites as a promising candidate in the removal of heavy metal waste.

Synthesis, growth, and characterizations of bis-ethylene diammonium diphenolsulfonate monohydrate single crystal: Optoelectronic and antibacterial aspects

Bis-Ethylene Diammonium di-Phenolsulfonate monohydrate (EDDSM) single crystal was amalgamated by the process of slow evaporation solution with water and ethanol as blended solvents at room temperature. The synthesized crystal EDDSM structure was resolved by diffraction of X- rays using single crystal technique. The identification of different functional groups, various kinds of carbon atoms as well as protons in the EDDSM crystal were established by13Cand 1H NMR spectra respectively. The optical properties were studied, using optical absorption along with photoluminescence studies. The stability of EDDSM single crystal against temperature and mechanical stress was studied by examining TGA/DTA and Vickers micro hardness respectively. The nonlinear nature of the grown EDDSM was observed and established by ‘Second Harmonic Generation’ (SHG). The antibacterial and antifungal activities of EDDSM was evaluated using Staphylococcus aureus, Streptococcus mutans, Klebsiella pneumoniae, Pseudomonas aeruginosa whereas Aspergillus niger and Candida albicans. These reported features and characterizations establish the reported compound as a promising crystal.

Efecto de mordientes sobre la variación de diámetro y tono de color en hilos de fibra de alpaca teñidos con flores de colli (Buddleja coriacea)

The aim of this study was to evaluate the effect of mordants on the variation of mean fibre diameter (MFD), spinning fineness (SF), and colour tone in alpaca fibre threads dyed with colli flowers (Buddleja coriacea). The dye was extracted using boiling water, followed by immersion of the thread in 160 ml of extract and post-mordanting with collpa, alum, and lemon salt at boiling temperature. MFD was measured using S-Fiber Med equipment. Colorimetry parameters were obtained using a spectrometer, and FT-IR spectrophotometer was used for identification of functional groups. MFD in colli-dyed and post-mordanted threads significantly increased with the addition of mordants, with the highest change observed with lemon salt (30.09 μm). The same trend was observed for SF. Dyeing with colli flower extract and subsequent mordant application produced different shades and hues of yellow colour in alpaca thread with significant variations in colorimetry parameters and FT-IR spectrum intensity. The reflectance spectrum R (%) showed a typical yellow colour curve with small differences in intensity due to the mordants used. In conclusion, MFD in colli-dyed thread increased by 0.44 µm; collpa mordanted by 2.78 µm; alum by 3.31 µm, and lemon salt by 3.51 µm compared to white thread, also producing different shades and hues of yellow colour with significant variations in colorimetry parameters and K/S. The sample dyed with colli without mordant presented the highest intensity, and lower intensity was observed in post-mordanted samples in FT-IR.

Tailoring the multifunctional properties of hydrothermally synthesized reduced graphene oxide/tungsten oxide supported nanorods to enhance the electrochemical and water-splitting activities

Herein, we employ the synergistic effect and better conductivity of graphene oxide (GO) and reduced graphene oxide (rGO) to boost the energy storage capacity and electrical conductivity of tungsten oxide (WO3) nanomaterials. The structural analysis of the WO3 and its composites revealed the presence of a monoclinic phase with a periodic arrangement. However, the field emission scanning electron microscopy revealed the nanorod-shaped morphology for WO3 and the nonuniform interconnected nanorod nanosheet-like morphology for composites. The identification of functional groups and stretching–bending vibrations of W–O, CO WO, and C–C bonds are revealed by FT-IR and Raman spectroscopy. Additionally, the transmission electron microscopy and X-ray photoelectron spectroscopy confirmed the morphological, structural, and electronic states of hybrid rGO/WO3 nanostructures. The supercapacitive properties and electrocatalytic activity of WO3, GO/WO3, and rGO/WO3–nickel foam (NF) electrodes were investigated using a 2 M KOH via an three-electrode system in the desired potential window. As a result, the rGO/WO3 electrode exhibited promising electrochemical performance with a large specific capacity, 135 mAh/g (972 F/g) with high energy (ED), and power density (PD) of 33 Wh/kg and 1100 W/kg at 5 mA/cm2, and excellent retention of 92 % after 5000 CV cycles. However, the hybrid device is fabricated using rGO/WO3//rGO-NF as electrodes and exhibited a high specific capacity (78 mAh/g and 177 F/g at 5 mV/s), decent cycling stability (85 % after 5000 cycles), and high ED/PD (33 Wh/kg /1166 W/kg) respectively. Moreover, the electrocatalytic activity of WO3, GO/WO3, and rGO/WO3 electrodes was studied using 2 M KOH respectively. The superior electrochemical activities such as overpotential, Tafel slope, and the good electrochemical surface area (ESCA) of 328 mV, 95.5 mV/dec, and 38.2 cm2 with good stability were observed for rGO/WO3 electrode. The proposed asymmetric design provides promising material for developing next-generation energy storage devices for various portable electronic systems and water-splitting activity.

A comparative study of the pyrolysis and hydrolysis conversion of tire

In the present study, we pyrolyzed a waste tire at various temperatures under an N2 atmosphere and a water environment in an autoclave reactor to investigate the effect of water on tire degradation. The analysis involved a comparison of product distribution, char properties, oil composition, and the behavior of heteroatom elements (especially oxygen, nitrogen, and sulfur) under different atmospheres. Elemental analysis, functional-group identification, and chemical state analysis of sulfur were performed for chars. In addition, the chemical composition, elemental composition, and molecular weight of the produced oils were evaluated. The heavy fraction of oils, not detectable by gas chromatography-mass spectrometry (GC-MS), was analyzed through Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS). The findings revealed that high temperatures promoted oil cracking, resulting in the formation of light oils in both pyrolysis and hydrolysis processes. Compared to pyrolysis, hydrolysis generated a higher yield of low molecular–weight oil. Elevated hydrolysis temperatures promoted aromatization, yielding an oil with a low H/C ratio and a high double bond equivalent number. Consequently, the concentration of aromatics in the light fraction of oils generated from the hydrolysis process exceeded that in oils from the pyrolysis process. Temperature exhibited a limited impact on oil composition during the pyrolysis process. Hydrolysis promoted the release of heteroatom-containing compounds at low temperatures. During pyrolysis, nitrogen was gradually released from the solid phase, whereas nitrogen-containing compounds were released early during hydrolysis, with gas-phase nitrogen accounting for more than 50 wt% at 320 °C. A maximum D-limonene yield of 45.58% was obtained at 360 °C within 0 min of hydrolysis, with the potential conversion of D-limonene into aromatics at higher hydrolysis temperatures. These results contribute to the understanding of tire valorization via hydrolysis.

Molecular Melodies: Unraveling the Hidden Harmonies of NMR Spectroscopy.

This work explores the evolution of auditory analysis in NMR spectroscopy, tracing its journey from a supplementary tool to visual methods such as oscilloscopes, to a technique sidelined due to technological advancements. Despite its renaissance in the late 1990s with artistic and scientific applications, widespread adoption was hindered by the necessity for hardware modifications and reliance on specialized software. Addressing these barriers, this paper introduces a new feature in Mnova NMR software that facilitates the easy auditory interpretation of NMR signals. We discuss new applications of this tool, emphasizing its utility in aiding the identification of specific functional groups by auditory analysis of the spectrum's multiplets, such as distinguishing between aromatic, olefinic, or aliphatic protons, thereby enriching the interpretative capabilities of NMR data.