Infrared Spectroscopy Research Articles

Revealing Local Structure of Angiotensin Receptor-Neprilysin Inhibitor (S086) Drug Cocrystal by Linear and Nonlinear Infrared Spectroscopies

Revealing Local Structure of Angiotensin Receptor-Neprilysin Inhibitor (S086) Drug Cocrystal by Linear and Nonlinear Infrared Spectroscopies

Real-Time In Vivo Human Skin Testing Using a Handheld Fourier Transform Infrared Spectrometer with a Three-Bounce Two-Pass Attenuated Total Reflection Interface.

Attenuated total reflection (ATR) Fourier transform infrared spectroscopy (FT-IR) is used to characterize a vast array of materials at the molecular level in various industry types. Here we compare the performance of a portable spectrometer with a novel three-bounce-two-pass (3B2P) ATR scanning interface to the same device with a standard one-bounce (1B) ATR, and to a benchtop spectrometer with a 10-bounce (10B) ATR, in ideal sample-interface conditions and an applied dermatological study setting. In both application settings, the benchtop 10B ATR interface showed the highest signal-to-noise ratio (SNR), however, the novel 3B2P produced a six-fold increase in the sensitivity of the portable spectrometer when analyzing isopropanol and showed the greatest consistency of SNR of all devices when analyzing isopropanol and in vivo skin samples. Spectral data were sourced from a recently undertaken dermatological study involving a cohort of 180 healthy, full-term babies, using both 1B and 3B2P interfaces. Use of the 3B2P interface resulted in a 55% greater successful high-quality spectrum collection rate, compared to the 1B, and showed significantly superior SNR at both observed study time points, i.e., birth (1B: 68.37; 3B2P: 77.37), and at four weeks (1B: 74.53; 3B2P: 80.22). The utility of ATR FT-IR spectrometers as a dermatological clinical tool was also exemplified here, by quantifying the moisture level of newborn skin. By gathering rich spectroscopic data on the molecular structure of the skin, this technique holds great promise for the quantification of skin disease-specific biomarkers.

Nitride Zeolites from Ammonothermal Synthesis.

Oxide zeolites are synthesized from aqueous solutions in an established way employing hydrothermal synthesis. Transferring this approach to nitride zeolites requires a solvent providing nitrogen for which ammonia has proven to be particularly suitable. We present the successful ammonothermal synthesis of the (oxo)nitridosilicate compounds Ce3[Si6N11], Li2RE4[Si4N8]O3 (RE = La, Ce) and K1.25Ce7.75[Si11N21O2]O0.75. Within this procedure, the usage of supercritical ammonia as a solvent as well as the utilization of the mineralizers NaN3, Li3N and KN3, respectively, allowed the targeted synthesis of large single crystals. Formation of these (oxo)nitridosilicates depend mainly on the employed mineralizer despite their similar degree of condensation. The three compounds were structurally characterized using X-ray diffraction and their crystal structures contain a wide range of different ring sizes within their tetrahedra networks. The zeolite(-like) crystal structures are elucidated and compared to known nitridosilicate representatives of the respective structure types. Their elemental composition was investigated using energy-dispersive X-ray (EDX) spectroscopy and incorporation of the O rather than N-H functionality was confirmed by Fourier-Transform infrared (FTIR) spectroscopy as well as by charge distribution (CHARDI) and bond valence sum (BVS) calculations. The presented examples demonstrate that ammonothermal synthesis provides a one-step access from elemental starting materials towards nitride zeolites.

Effect of a single water molecule on the conformational preferences of a capped Pro–Gly dipeptide in the gas phase

Herein, we have investigated the effect of microhydration on the secondary structure of a capped dipeptide Boc-DPro-Gly-NHBn-OMe (Boc = tert-butyloxycarbonyl, Bn = Benzyl), i.e., Pro–Gly (PG) with a single H2O molecule using gas-phase laser spectroscopy combined with quantum chemistry calculations. Observation of a single conformer of the monohydrated peptide has been confirmed from IR-UV hole-burning spectroscopy. Both gas-phase experimental and theoretical IR spectroscopy results confirm that the H2O molecule is inserted selectively into the relatively weak C7 hydrogen bond (γ-turn) between the Pro C=O and NHBn N–H groups of the peptide, while the other C7 hydrogen bond (γ-turn) between the Gly N–H and Boc C=O groups remains unaffected. Hence, the single H2O molecule in the PG⋯(H2O)1 complex significantly distorts the peptide backbone without appreciable modification of the overall secondary structural motif (γ–γ) of the isolated PG monomer. The nature and strength of the intra- and inter-molecular hydrogen bonds present in the assigned conformer of the PG⋯(H2O)1 complex has also been examined by natural bond orbital and non-covalent interaction analyses. The present investigation on the monohydrated peptide demonstrates that several H2O molecules may be required for switching the secondary structure of PG from the double γ-turn to a β-turn that is favorable in the condensed phase.

Strontioborite: revalidation as a mineral species and new data

Abstract Strontioborite, which was first described in 1960 and later discredited by the then named Commission on New Minerals and Mineral Names of the International Mineralogical Association (IMA CNMMN), has been re-investigated (electron microprobe, single-crystal and powder X-ray diffraction, crystal structure determination and IR spectroscopy) on two specimens, including the holotype, and revalidated by the IMA Commission on New Minerals, Nomenclature and Classification (CNMNC). Strontioborite is known only at the Chelkar salt dome (North Caspian Region, Western Kazakhstan), in halite rocks with bischofite, magnesite, anhydrite, halurgite, boracite, ginorite and celestine. It forms colourless lamellar, scaly or tabular crystals up to 2 mm across. The chemical composition (wt.%, H2O is calculated for (OH)4 = 4 H apfu, according to structural data; holotype/neotype) is: CaO 1.42/0.27, SrO 23.10/23.79, B2O3 67.37/67.57, H2O 8.73/8.72, total 100.62/100.37. The empirical formulae [calculated based on 15 O apfu = O11(OH)4 pfu] of the holotype and neotype specimens are Sr0.92Ca0.10B7.98O11(OH)4 and Sr0.95Ca0.02B8.02O11(OH)4, respectively. The idealised formula is Sr[B8O11(OH)4]. Strontioborite is monoclinic, space group P21, a = 7.6192(3), b = 8.1867(2), c = 9.9164(3) Å, β = 108.357(4)°, V = 587.07(3) Å3 and Z = 2. The strongest reflections of the powder X-ray diffraction pattern [d,Å(I)(hkl)] are: 7.22(100)(100), 5.409(61)(110), 4.090(64)(020), 3.300(48)(210), 2.121(30)( $\bar{1}$ 24) and 2.043(37)(040, 024, $\bar{2}$ 24). The crystal structure, solved from single-crystal X-ray diffraction data (R = 0.0372), is based upon the (100) layers of polymerised B–O–OH polyanions [B8O11(OH)4]2– and Sr-centred nine-fold polyhedra SrO6(OH)3. The B–O–OH polyanion is the cluster of three tetrahedra and three triangles; these clusters are decorated by the [B2O2(OH)3] pyro-group consisting of two triangles. The layers are linked via vertices of Sr-centred polyhedra, which share seven vertices with B-centred polyhedra of one layer and two vertices with B-centred polyhedra of the adjacent layer, and by the system of H bonds. The crystal chemistry of strontioborite is discussed in comparison with other natural and synthetic borates.

Using a New Pt(II) Source to Make Pt(II) Lantern-Shaped Cages, Including Low-Symmetry, Heteroleptic, and Multicavity Examples.

Current synthetic methods towards Pt(II) lantern-shaped cages involve the use of dry solvent, inert atmosphere, lengthy reaction times, and highly variable yields if isolated. Starting materials such as [Pt(CH3CN)4](BF4)2 suffer from a poor shelf-life, reducing the synthetic accessibility of various Pt(II) architectures. A new Pt(II) source (with varied counterions), [Pt(3-ClPy)4](X)2 (3-ClPy=3-chloropyridine, X=BF4 -, OTf-, NO3 -), is developed and characterised, showing greatly enhanced shelf-life characteristics under ambient atmospheric conditions. Using this starting material, the assembly of Pt(II) lantern-shaped cages was completed in as little as 1.5 hours with wet solvent and ambient atmosphere. The first examples of low-symmetry, heteroleptic and multicavity Pt(II) lantern-shaped cages are reported using this approach. Attempts towards an M6L8 octahedron using a tritopic ligand instead generate an interesting M2L4 cage with unbound pyridyl arms. Ligands and cages are characterised by NMR spectroscopy, IR spectroscopy, mass spectrometry, and X-ray crystallography in some cases.

A homeopathic potency transfers its water structure to aqueous ethanol without physical contact as revealed by electronic and vibrational spectroscopy

Background: A Homeopathic potency kept in contact with aqueous ethanol through water can transform the aqueous ethanol into that potency. Can a potency produce the same effect on aqueous ethanol without direct physical contact? The present experimental study addresses this question. Methods: Two potencies 30 cH and 200 cH of Thuja occidentalis in 90% EtOH were diluted with deionized and distilled (DD) water 1:100, and kept separately in two coloured 30 ml bottles. A test tube containing 90% EtOH diluted with DD water 1:100, was dipped into each of two bottles. After one hour exposure each test tube was taken out and its content aqueous ethanol was analysed by UV and FT-IR spectroscopy. The samples were also tested before one hour exposure. Baseline was set for UV spectroscopy with 90% EtOH diluted with DD water 1:100 for each experiment. Results: Spectroscopic characteristics of aqueous EtOH in each test tube after one hour exposure to a potency exactly matched those of Thuja 30 c H and Thuja 200 c H. but with higher absorption intensity. Discussion: Electromagnetic radiation (EMR) passing through a potency may carry the information of the potency and transfer it to aqueous ethanol in the test tube. Conclusion: Thuja 30 c H and Thuja 200 c H can transform water structure of aqueous ethanol into the said potencies without direct physical contact. Keywords: Homeopathic potencies, Thuja 30 c H., Thuja 200 c H., Water structure, Aqueous ethanol, Transformation, UV and FT-IR spectra.

Phycogenic nanoparticles efficiently catalyse pesticide degradation through a novel metabolic pathway utilizing solar light

Cypermethrin (Cy) is a widely used insecticide, leading to significant environmental contamination in homes and agricultural areas. Effective methods to minimize or eliminate insecticidal residues are essential. Seaweeds, traditionally used in agriculture as soil conditioners, offer a promising solution for remediating pesticide-contaminated soils through biogenic nanoparticle synthesis. In this study, we synthesized biogenic silver nanoparticles (UL-AgNPs) from the green seaweed Ulva lactuca Lin (Ulvaceae) to degrade Cypermethrin. The UL-AgNPs were characterized using UV-Visible spectroscopy, Scanning Electron Microscopy equipped with Energy dispersive X-ray spectroscopy, Fourier Transform Infra-red spectroscopy, X-ray diffraction, Dynamic light scattering and zeta potential analysis, confirming their presence, size (81.29 nm), structure and stability. Response surface methodology (RSM) was used to assess the catalytic concentration of photocatalyst for degradation of pesticide including variables, Cy concentration and destined exposure time duration. The degradation efficiency of UL-AgNPs was evaluated, with the highest degradation (91.2%) achieved at pH 7 after 12 hours using 16.6 mg L-1 of UL-AgNPs, following pseudo-first order kinetics with a rate of 2.7 hour-1. GC-MS and UV-Visible spectroscopy revealed a novel degradation pathway, where Cypermethrin was broken down into compounds like Tetradecane, Dodecane, and Tetracosanoic acid through ester cleavage and benzene ring breakdown. The study also demonstrated the reusability of UL-AgNPs for four cycles, highlighting their potential for sustainable environmental management by reducing the long-term hazards of Cypermethrin.

Systematic review of artificial intelligence with near-infrared in blueberries

The fruit quality has a direct impact on how the fruit looks and how tasty the fruit is. The correct use of tools to determine fruit quality is essential to offer the best product for the final consumer. This study has used the preferred reporting items for systematic reviews and meta-analyses (PRISMA) methodology. The study objective was elaborate a systematic literature review (SLR) about research of the application of techniques based on artificial intelligence to analyze indicators obtained by near infrared spectroscopy (NIRS) and chemometrics to determine the quality of fruits, including blueberries. The most frequently addressed indicator is the soluble solids concentration (SSC) which was used in several studies with techniques such as support vector machines (SVM) and convolutional neural networks (CNN). According to the results obtained, it is possible to use these techniques to predict blueberry quality indicators. There was an acceptable performance and high accuracy of these models. However, future research could cover other techniques and help to provide better quality control of products in food industries.

In-silico based Designing of benzo[d]thiazol-2-amine Derivatives as Analgesic and Anti-inflammatory Agents.

Benzo[d]thiazoles represent a significant class of heterocyclic compounds renowned for their diverse pharmacological activities, including analgesic and antiinflammatory properties. This molecular scaffold holds substantial interest among medicinal chemists owing to its structural versatility and therapeutic potential. Incorporating the benzo[d]thiazole moiety into drug molecules has been extensively investigated as a strategy to craft novel therapeutics with heightened efficacy and minimized adverse effects. The aim of the present research work was to design, synthesize and characterize the new benzo[d]thiazol-2-amine derivatives as potent analgesic and anti-inflammatory agents. The synthesis of the presented benzo[d]thiazol-2-amine derivatives was performed by condensing-(4-chlorobenzylidene) benzo[d]thiazol-2-amine with a number of substituted phenols in the presence of potassium iodide and anhydrous potassium carbonate in dry acetone. IR spectroscopy, 1HNMR spectroscopy, 13CNMR spectroscopy and Mass spectroscopy methods were used to characterize the structural properties of all 13 newly synthesized derivatives. The molecular properties of these newly synthesized derivatives were estimated to study the attributes of drug-like candidates. Benzo[d]thiazol-2-amine derivatives were molecularly docked with selective enzymes COX-1 and COX-2. Analgesic and anti-inflammatory activities of synthesized compounds were evaluated by using albino rats. Findings of the research suggested that compounds G3, G4, G6, G8 and G11 possess higher binding affinity than diclofenac sodium, when docking was performed with enzyme COX-1. Compounds G1, G3, G6, G8 and G10 showed lower binding affinity than Indomethacin when docking was performed with enzyme COX-2. In vitro evaluation of the COX-1 and COX-2 enzyme inhibitory activities was performed for synthesized compounds. Compounds G10 and G11 exhibited significant COX-1 and COX-2 enzyme inhibitory action with an IC50 value of 5.0 and 10 μM, respectively. Using the hot plate method and the carrageenan-induced rat paw edema model, the synthesized compounds were screened for their biological activities, including analgesic and anti-inflammatory activities. Highest analgesic action was exhibited by derivative G11 and the compound G10 showed the highest anti-inflammatory response. Inhibition of COX may be considered as a mechanism of action of these compounds. It was concluded that synthesized derivatives G10 and G11 exhibited significant analgesic and anti-inflammatory effect; therefore, the said compounds may be subjected to further clinical investigation for establishing these as future compounds for the treatment of pain and inflammation.

A three-dimensional octamolybdate-modified silver crystalline material with catalytic and antibacterial activities

The hydrothermal reaction of 1-(4-carboxyphenyl)-3-(pyrazine-2-yl)-pyrazole (HX) with AgNO3 in the presence of [PMo12O40]3− anions results in a new 3D octamolybdate-based metal–organic complex, [Ag2(HX)(X)(H2Mo8O26)0.5]·H2O (1). 1 was characterized using X-ray photoelectron spectra, scanning electron microscopy, powder X-ray diffraction, elemental mapping, IR spectroscopy, thermogravimetric analysis and single-crystal X-ray diffraction. In compound 1, [H2Mo8O26]2− was in situ generated from the Keggin-type [PMo12O40]3−. Compound 1 is a 3D framework composed of 2D metal–organic layers [Ag2(HX)(X)]nn+ and [H2Mo8O26]2− clusters. Its electrochemical properties were investigated and the results showed that 1 could serve as an electrochemical sensor to detect NO2−. Compound 1 exhibits photocatalytic activity in the degradation of methylene blue, methyl orange and Rhodamine B. The mechanism of the photocatalytic degradation was also studied. Additionally, the antibacterial properties against Escherichia coli, Ralstonia solanacearum and Xanthomonas axonopodis pv. Citri were investigated.

Cyclodextrin-based nanosponges for the dispersive-solid phase extraction of pesticides from environmental waters

In this work, harmless, biodegradable, and low-cost cyclodextrin-based nanosponges (CDNS) were synthetized with an optimized green approach based on the use of a natural cyclodextrin (α-CD, β-CD) as the monomer, citric acid as the cross-linker, and NaH2PO4 as the catalyst. The resulting materials were studied using thermal analysis (TGA, DSC), IR spectroscopy, and SEM imaging. For the first time, α-CDNS and β-CDNS were successfully applied for the dispersive-solid phase extraction (d-SPE) from surface waters of eleven pesticides, including achiral compounds (ametocradin, methoxyfenozide, tebufenozide, pyraclostrobin, spiromesifen), optical stereoisomers (mandipropamid, penconazole, difenoconazole, pyriproxyfen, hexythiazox) and geometric stereoisomers (dimetomorph). The extracts were analysed by high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS). A cholesteryl-bonded silica column allowed the baseline separation of the geometric stereoisomers of dimethomorph, while a polysaccharide-based column was effective in the separation of the optical stereoisomers. Although no nanosponge displayed stereo-discrimination, all of them provided absolute recoveries depending on the analyte logP, steric hindrance, and spike level. In particular, β-CDNS gave yields between 26 and 93 %, and intra-day and inter-day precision of 2–9 % and 4–18 %. Limits of detection and limits of quantitation were 0.05–40 ng/L and 0.2–120 ng/L, respectively. After validation, the d-SPE-HPLC-MS/MS method was applied to the analysis of water samples from the Tiber River: ametoctradin, mandipropamid, penconazole, pyraclostrobin and pyriproxyfen were detected at concentrations between 16 and 43 ng/L. Last but not least, recycling tests have proved that CDNSs can be reused three times with unvaried extraction yields.

Organogermanium(IV) complexes with O,N,O’-tridentate Schiff bases: synthesis, electrochemical transformations, photophysical properties, and anti/prooxidant activity

A series of novel diorganogermanium(IV) complexes of the type [R2Ge(Ln)] (where R is Et, Ph) with O,N,O’-tridentate redox-active Schiff bases has been synthesized. Compounds 1–7 were characterized by 1H, 13C{1H} NMR, IR spectroscopy, and elemental analysis. The molecular structures of complexes 1, 3, and 7 in crystal state have been established using single-crystal X-ray analysis. The complexes are pentacoordinate mononuclear compounds of germanium(IV). The bond lengths in tridentate ligands correspond to their diamagnetic dianionic forms. The electrochemical properties of complexes 1–7 were studied by cyclic voltammetry. A feature of the electrochemical behavior of target complexes is the ability to form relatively stable reduced/oxidized species as a result of the one-electron transfer. The stability of electrogenerated forms is influenced by both the organic groups at the germanium(IV) atom and the substituents in the Schiff bases. The energy gap (ΔEel) between the boundary redox orbitals obtained from electrochemical data for the complexes varies from 2.43 to 2.60 eV, while the optical ΔE was observed in the narrow range (2.46 – 2.50 eV). Luminescent activity was detected for some complexes in the solution. The maximal values ​​of the relative quantum yield were determined for complexes containing an electron-withdrawing nitro group in the redox-active ligand. In the reaction with ABTS radical cation, compound 1 only possessed the radical scavenging activity while the other compounds are characterized by weak neutralizing properties. The dual anti/prooxidant action was observed for compounds 1–7 in the process of rat liver (Wistar) homogenate lipid peroxidation.

Effects of Peanut Shell Flavonoids on Composite Film Properties and Cherry Tomato Preservation

ABSTRACTThis study investigated the effects of varying concentrations of peanut shell flavonoids (PSFs) on the properties of peanut meal extract‐tilapia skin protein composite films and their impact on cherry tomatoes preservation. Peanut meal alcohol extract (Pe) and tilapia skin protein (Co) were used as base materials, combined with PSFs to prepare composite films with excellent antioxidant properties. The results demonstrated that the optimized composite films exhibited superior mechanical properties, with a tensile strength of 9.83 MPa and an elongation at break of 204.04%. Increased flavonoid content enhanced the films' antioxidant capacity, achieving superoxide anion and DPPH radical scavenging rates of 15.08% and 21.37%, respectively. The microstructure, IR spectra, and circular dichroism spectra of the composite films are also significantly different with the change of flavonoid content. In the cherry tomato preservation experiment, the PeCo‐0.5 composite film treatment group maintained a low weight loss rate (11.18%) and malondialdehyde content (13.33 μmol/g) after 15 days, delayed the peak respiration rate, and significantly reduced the peak respiration intensity (3.43 mgCO2∙ mg−1∙gh−1). At the same time, the activity of polyphenol oxidase in the tissue of Cherry Tomatoes was significantly inhibited, and the decrease rate of Vc content was also significantly decreased, which effectively preserving the bright color, smooth appearance, and good aroma of the cherry tomatoes. This study not only provides new insights into the comprehensive utilization of tilapia skin and peanut by‐products but also opens new avenues for the development and application of fruit and vegetable preservation films.

Modifiers for the preparation of starch composites under mechanochemical activation: An extended set of criteria

Modification of starch with synthetic polymers under mechanochemical activation is a convenient way to regulate the operational properties of composite materials. The widespread use of this approach is limited by the lack of data on the influence of synthetic polymer nature on the properties of starch and the absence of clear criteria for modifiers selection in the form of aqueous dispersions. To eliminate existing problems, the work proposes to use five integral criteria − polarity, hydrophilicity, and flexibility of synthetic modifiers, as well as particle size and ζ-potential of their aqueous dispersions. To achieve this goal, we studied the dielectric constant, contact angles, IR spectra, and dynamic mechanical properties of four acrylic copolymers and an aliphatic polyurethane. Using the mechanochemical activation, blends and composite films based on corn starch and synthetic modifiers (80:20) were manufactured. Methods of rotational viscometry, X-ray diffraction analysis, DMA, mechanical tests, and moisture permeability allowed us to reveal the influence of the modifier integral parameters on the rheological characteristics of the molding blends and the impact of joint mechanical activation on them, as well as on the crystal structure of the composites, their storage modulus, strength, and transport characteristics.

CREATING CO-CRYSTAL SALTS: Synthesis, Crystal Structure, Hirshfeld Surface Analysis and Quantum Chemical Calculations of Pyrimethamine and their Potential Anti- SARS-Cov-2 Activity

Although the COVID-19 pandemic is over but the clouds of next pandemic can't be ignored and therefore, search for new effective and more safe drug candidates against SARS-CoV-2 is the need of time. The presented study investigates the potential for designing new least toxic but more effective drug candidates with enhanced therapeutic properties against SARS-CoV-2. Pyrimethamine, which was once a cornerstone in malaria treatment, has lost its effectiveness due to the development of drug resistance. Despite this, significant interest remains in modifying and repurposing the drug within medicinal chemistry. The presented study has demonstrated the synthesis of three novel organic co-crystal salts derived from pyrimethamine and the coformers homophthalic acid, chlorosalicylic acid, and 4-methoxy cinnamic acid via reflux method to obtain co-crystal salt I (PYM: HOM), II (PYM: CSAL), and III (PYM: MCIN), in a 1:1 stoichiometric ratio. Single-crystal X-ray diffraction, vibrational spectroscopy, and DSC/TGA analysis were used for the structural characterization and confirmation. Moreover, quantum chemical calculations were carried out to evaluate the structural and electronic properties of the binary complex of the co-crystals and crystal supercells. The interaction energies of the binary complexes were also computed to assess the relative stability of the crystal salts while comparing them with TGA/DTG data. As the COVID-19 pandemic has infected millions of people with mortality exceeding >1 million. There is an urgent need to find therapeutic agents that can help with virus eradication to prevent severe disease and deaths. These co-crystal salts were evaluated for their potential to inhibit SARS-CoV-2 propagation. Co-crystal salt II was observed as the most significant inhibitor at all the treatment points such as prophylactic, entry, and therapeutic (post-entry). Furthermore, pyrimethamine and coformers were also found to be effective at different targets as well. The identification of co-crystal salt II, comprising pyrimethamine and the coformers, shows promising antiviral activity against SARS-CoV-2, potentially laying the groundwork for the development of new drug candidates.

FTIR monitoring of the 13-valent pneumococcal conjugate vaccine for lung cancer patients: Changes in amides vibrations correlated with biochemical assays

Lung cancer is one of the most lethal cancers. Unfortunately, respiratory tract infections are very common in lung cancer patients, delaying appropriate anticancer therapy. To increase therapy efficiency, in this study we examined the effect of 13-Valent Pneumococcal Conjugate Vaccine on the immune response in lung cancer patients, which indirectly affects the success of anticancer therapy. The study was done using biochemical tests and Fourier Transform InfraRed (FTIR) spectroscopy. For this purpose, serum from lung cancer patients aged 52 ± 9 years (III and IV clinical stage; 79 %; n = 103) before and seven as well as 30 days after vaccination was collected. Obtained results showed increasing concentrations of immunoglobulin IgG and IgG2 groups in patients after vaccination in comparison with group before vaccination. This result was confirmed by FTIR spectroscopy, where higher absorbances of amides vibrations were observed after vaccination. Interestingly, lack of differences in the amides absorbances between patients 7 and 30 days after vaccination were noticed. FTIR spectra also showed changes in the ratio between amide I and amide III as well as between amide II and amide III in the groups of patients after vaccination. From deconvolution of made I range (1600 cm−1–1700 cm−1) decrease of the ratio between α-helix and β-sheet around 0.05 was noticed in serum collected from patients after vaccination in comparison with patients before vaccination. Using Principal Component Analysis (PCA) analysis of FTIR data it was observed that serum collected from all three analyzed groups of samples was possible to differentiate. The highest accuracy in differentiation group of samples before and 7 days after vaccination was visible in amide I, while before and 30 days after vaccination using amide II. Correlation between immunoglobulin IgG and IgG2 concentrations obtained by biochemical assays and FTIR were noticed only in the group of serum collected 30 days after vaccination, which suggested that FTIR spectroscopy reflects biochemical data.

Boosting nickel nanoferrite’s specific capacitance with Azadirachta Indica for advanced supercapacitors

Nickel Ferrite (NiFe2O4) a valuable transition metal oxide possessing a spinel structure, it is extensively utilized in industry due to its compelling properties. In this present study the sol–gel auto-combustion synthesis method was employed using nitrates and citric acid in conjunction with double distilled water (DDW) and Azadirachta Indica extract. The X-ray diffraction (XRD) analysis revealed the formation of a cubic spinel phase with high crystallinity. Crystallite size of prepared Nickel Ferrite in double distilled water and Azadirachta Indica by Scherrer’s equation and Williamson-Hall plot (W-H) are 28.09 nm and 33.01 nm as well as 16.23 nm and 16.55 nm, with microstrains of 0.32739 % and 0.339 × 10−3 % respectively. The notable reduction in the crystallite size is observed when employing Azadirachta Indica compared to the double distilled water-based synthesis. The X-ray density of the synthesized sample in double distilled water and Azadirachta Indica are obtained as 3.935 (g cm−3) and 5.427 (g cm−3). Transmission electron microscopy (TEM) of Azadirachta Indica-based nanostructured Nickel Ferrite material exhibited a particle size of 17.06 nm. The study encompassed the calculation of various parameters such as hopping lengths, polaron radius, specific surface area, packing fraction, and dislocation density. Magnetic parameters are comprehensively examined using a vibrating sample magnetometer (VSM), revealing a Bohr magneton is 3.278. The shifting of coercivity curve observed towards right due to exchange bias effect and the unidirectional anisotropy for diamagnetic Azadirachta Indica based Nickel ferrite. Optical properties are investigated through UV–VIS and Fourier-transform infrared (FTIR) spectroscopy, resulting in a band gap energy of 1.75 eV and a porosity is 11.16 %. Electrochemical evaluation of Nickel Ferrite electrodes is conducted over a potential range from 0.0 to 1 V. The specific capacitance of Nickel Ferrite electrodes synthesized with double distilled water and Azadirachta Indica are determined as 511.9 F/g and 695 F/g respectively, at a scan rate of 50 mV/s, as evaluated through cyclic voltammetry (CV) measurements in Ag/AgCl (0.1 M NaOH as electrolyte). The specific capacitance of Nickel Ferrite, produced with double distilled water and Azadirachta Indica extract, is 686 F/g and 817.398 F/g respectively, as determined by Galvanostatic charge–discharge (GCD) measurements. The study conclusively demonstrated significantly improvement in the electrochemical performance of Nickel Ferrite, synthesized with Azadirachta Indica extract for supercapacitor application. Based on GCD and CV, the specific capacitance has been boosted significantly with Azadirachta Indica extract for supercapacitor application.

Biodegradable Plastics from Marine Biomass: A Solution to Marine Plastic Pollution

The growing demand for plastics has raised environmental concerns due to their non-biodegradable nature. Sustainable solutions are urgently required to decrease plastic pollution. This study explored the potential of Sargassum wightii, a seaweed found in Malaysia, as a sustainable material for bioplastic films. The seaweed-based bioplastic was produced using an extraction-based method where alginate was formed using NaOH, followed by mixing sodium alginate with isopropanol and potato starch. The bioplastic was then characterized using various analytical techniques, including Thermogravimetric Analysis (TGA), Scanning Electron Microscopy (SEM), X-ray Diffraction (XRD), and Fourier-Transform Infrared (FTIR) spectroscopy. Physical properties such as density and moisture content, along with environmental tests like water absorption and biodegradability, were evaluated. TGA analysis indicated that 31.12% of the sample remained as residue. FTIR spectroscopy identified the presence of bioactive compounds, with a prominent alcohol group peak at 3358cm-1. XRD analysis revealed a peak at 23.1°, indicating crystallinity within the sample. The moisture content of the bioplastic film was found to be 21.16%. The water absorption test demonstrated the film's hydrophilic nature, showing a 60% increase in weight. A soil burial test for biodegradability confirmed a 40% reduction in weight over 21 days, indicating a reasonable degradation rate. These findings suggest that seaweed holds promise as an alternative raw material for bioplastic production, contributing to more sustainable materials and reducing reliance on non-biodegradable plastics.

Advancing solar wastewater treatment: A photocatalytic process via green ZnO/g-C3N4 coatings and concentrated sunlight – Comprehensive insights into ciprofloxacin antibiotic inactivation

In this study, a sustainable method employing concentrated sunlight to achieve environmental remediation of wastewater, contaminated by Ciprofloxacin antibiotic (CIP), is thoroughly investigated. A green ZnO/g-C3N4 nanocomposite (NC) is used as a photocatalyst coating on glass to investigate the inactivation of CIP in water, in a flow-reactor configuration at small-prototype scale (10 liters/h, catalyst area 187.5 cm2). ZnO/g-C3N4 NC coatings were obtained by an in-situ thermal condensation process coupled with a green synthesis protocol and deposited on glass, via a simple drop casting method. Morphological and structural analyses of synthesized composites were performed with Fourier-Transform Infrared (FTIR) Spectroscopy, Scanning Electron Microscopy (SEM), Energy-Dispersive X-ray (EDX) and X-ray diffraction (XRD) techniques, while optical properties were studied with Diffuse Reflectance Spectroscopy (DRS). The degradation of CIP was first tested at a lab scale under simulated sunlight and then studied under sunlight in a parabolic trough concentrator (PTC). Suitable degradation of CIP (100%) was observed at 210 min via High-Performance Liquid Chromatography (HPLC) and the by-products were determined by Liquid Chromatography-Mass Spectroscopy (LC–MS). Microbiological tests revealed the absence of antibacterial activity in CIP water treated with ZnO/g-C3N4 NC photocatalyst against Staphylococcus aureus, Pseudomonas aeruginosa, and Priestia megaterium. Our results directly demonstrate the effective inactivation of CIP with a process designed for sustainability both in terms of energy input (solar) and scalability of materials. Also, the small-prototype scale of this investigation provides insights into the challenges arising from the perspective scale-up to an industrial application, aimed at antibiotics inactivation in wastewater and thus helping to prevent the spread of antimicrobial resistance (AMR).