For exploring the reaction between the hydroxyl groups of lignin and boric acid under the alkaline condition, we study three proposed mechanisms for the formation of the anionic borate diester (ABDE) using the salicyl alcohol anion as the model compound by the density functional theory. ABDE has high flame retardancy and is a potentially practical application of lignin. The catalysis of sodium cation is found to enhance the deprotonation of the water cluster. The deprotonated product, hydroxide anion, is essential to the critical step, which is the cleavage of B-O bonds of the boric acid molecule, in reaction mechanisms. The energy profiles of the mechanisms show that the reaction between lignin and boric acid may start from the hydroxymethyl moieties of lignin since it requires less energy for the aforementioned critical step than from the phenol moieties of lignin. Moreover, the hydroxide anions compete with the hydroxymethyl groups in lignin for the formation of B-O bonds by forming tetrahydroxyborate anion (TBA) which requires very high activation energies to further react to the desired product ABDE. The optimal condition is to enhance the catalytic effect of sodium cations and meanwhile to control the formation of TBA.

3D-printing technology allows scientist to fabricate easily electrochemical sensors. Until now, these sensors were designed employing a large amount of material, which increases the cost and decreases manufacturing throughput. In this work, a low-cost 3D-printed on-drop electrochemical sensor (3D-PES) was fully manufactured by fused filament fabrication, minimizing the number of printing layers. Carbon black/polylactic acid filament was employed, and the design and several printing parameters were optimized to yield the maximum electroanalytical performance using the minimal amount of material. Print speed and extrusion width showed a critical influence on the electroanalytical performance of 3D-PES. Under optimized conditions, the fabrication procedure offered excellent reproducibility (RSD 1.3% in working electrode diameter), speed (< 3 min/unit), and costs (< 0.01 $ in material cost). The 3D-PES was successfully applied to the determination of phloridzin in apple juice. The analytical performance of 3D-PES was compared with an equivalent commercial on-drop screen-printed electrode, yielding similar precision and accuracy but lower sensitivity. However, 3D-PES provides interesting features such as recyclability, biodegradability, low-cost, and the possibility of being manufactured near the point of need, some of which meets several demands of Green Chemistry. This cost-effective printing approach is a green and promising alternative for manufacturing disposable and portable electroanalytical devices, opening new possibilities not only in on-site food analysis but also in point-of-care testing.

Concerned about water treatment, it is of great importance to present new approaches for improving photocatalytic activity. Since photocatalysis is ubiquitous in almost all chemical manufacturing processes, the development of photocatalytic systems carries significance for our environment. In this regard, three different amounts of covalent organic frameworks decorated with titanium(IV) oxide nanoparticles (TiO2/COF hybrids) in Alginate-Carboxymethyl cellulose (Alg-CMC) blend matrix were prepared under ultrasound irradiation, which Citric acid and Calcium chloride acted as two green cross-linkages. Based on the physio-chemical analyses of these bio-nanocomposite (bio-NC) beads, the Alg-CMC blend polymer appeared to be the best candidate for a disparity of TiO2/COF hybrids. Not only did COF aid to increase the distribution of TiO2 nanoparticles, but it declined the bandgap energies. The resultant Alg-CMC/TiO2/COF (TiO2/COF = 15:6) bio-NC beads demonstrated efficient photodegradation activity towards Methyl violet (MV) under Ultraviolet light. The obtained results of scavenger studies indicated that superoxide radicals and electron agents played a major role in MV degradation. Further investigation confirmed that single oxygen addition and N-de-methylation could be two important pathways for the decomposition of MV by these bio-NC beads.

In this research, the magnetic solid acid nanocatalyst based on ferrierite has been prepared and used as catalyst for the green synthesis of some [1,3]-oxazine derivatives in water at room temperature. The synthesized compounds were obtained in high to excellent yields after short reaction times and the structure of synthesized products were investigated by spectroscopic methods such as: FT-IR, 1H NMR and 13C NMR. The prepared magnetic solid acid catalyst was characterized using XRD, FT-IR, FE-SEM, EDX, elemental mapping, TGA and VSM analysis methods. Magnetic catalyst has easy separation ability, which leads to better and easier recycling. The preparation and synthesis of [1,3]-oxazine derivatives were carried out at room temperature in the presence of M-FER/TEPA/SO3H. Easy workup, green solvent (water) and also short reaction times with high to excellent yield of products, are some of advantageous of presented method. Docking calculations on the structure of the synthesized compounds proved their medicinal properties against breast cancer cells.

Starches-rich and protein-rich cereal samples commonly need tedious sample preparation steps before instrumental analysis. This study developed a miniaturized centrifugal integrated cold-induced phase separation (CIPS) method for convenient sample preparation. A small-sized centrifuge tube (2 mL) and a low-temperature centrifuge, both of which are easily accessible, make up the basic components of the system. Unlike conventional sample preparation methods that need a step-by-step extraction, enrichment, purification, and centrifugation, this centrifugal integrated CIPS method can be performed by a one-step combination protocol under a low-temperature centrifuge. As a proof-of-concept study, satisfactory recoveries and enrichment factors were demonstrated for the extraction of fumonisins and ochratoxins from cereals. A sensitive and selective quantification method was yielded by combining LC-HRMS using tSIM acquisition mode, with good linearity (R2 > 0.998), accuracy (82.9-106.5%), and precision (<13.4%). This strategy is convenient, low-cost, repeatable, and easy to semi-automate, further expanding the extraction potential for other acidic mycotoxins.

Materials from green resources boast a low carbon footprint, forming the foundation of the circular economy approach in materials science. Thus, in this study, waste poly(ethylene terephthalate) (PET) was subjected to depolymerization using propylene glycol (PG), and subsequent polycondensation with bio-based maleic anhydride (MA) produced unsaturated polyester resin (b-UPR). Bio-derived acryloyl-modified Kraft lignin (KfL-A) served as a vinyl reactive filler in the b-UPR matrix to create b-UPR/KfL-A composites. The structural characterization of KfL-A and b-UPR involved the use of FTIR and NMR techniques. The mechanical properties of the newly fabricated composites were assessed through tensile strength, Vickers microhardness, and dynamic mechanical tests. The addition of KfL-A to the rigid b-UPR matrix enhanced material flexibility, resulting in less stiff and hard materials while preserving composite toughness. For instance, incorporating 10 wt% of KfL-A in b-UPR led to a 17% reduction in hardness, a 48% decrease in tensile strength, and a 20% reduction in toughness. Positive environmental impact was achieved by incorporation of 64 wt% of renewable and recycled raw material. Analogously prepared b-UPR/KfL composites showed structural inhomogeneity and somewhat better mechanical properties. Transmission (TEM) and scanning (SEM) electron microscopies revealed a suitable relationship between mechanical and structural properties of composites in relation to the extent of KfL-A addition. The UL94V flammability rating confirmed that flame resistance increased proportionally with the KfL-A addition. Once deposited in a landfill, these composites are expected to disintegrate more easily than PET, causing less harm to the environment and contributing to sustainability in the plastics cycle.

In this article, we present the synthesis of binary CdAl4O7/CdO nanocomposites using green tea extracts and green chemistry methods for high-performance hydrogen storage. The green tea extract contains bioactive compounds (polyphenols) that act as reducing agents, which facilitate the reaction between metal ions and water. By examining the structural and morphological characteristics of the obtained substrates using scanning electron microscopy (SEM), X-ray diffraction (XRD), transmission electron microscopy (TEM), and Fourier transform infrared spectroscopy (FT-IR), it was demonstrated that the nanocomposites were successfully synthesized. We evaluated the electrochemical performance of the synthesized CdAl4O7/CdO nanocomposites using a three-electrode chronopotentiometry system. According to the results, the synthesized nanocomposites are capable of storing 1750 mAh/g of hydrogen at a constant current of 1 Amp. By using green tea extract as a natural structure-directing agent, the CdAl4O7/CdO nanocomposite can be developed more sustainably as high-performance hydrogen storage materials. Ultimately, this work contributes to the advancement of sustainable energy storage through the synthesis of a promising new material.

Capillary electrophoresis (CE) has conventionally been classified into aqueous and non-aqueous categories based on the types of buffer solvents employed. Traditionally, non-aqueous CE has always been associated with the use of organic solvents, which are considered hazardous to health and environmentally detrimental. In this work, we introduce deep eutectic solvents (DESs) as CE separation media for the first time, presenting a novel and environmentally friendly approach to CE separations. The DES employed consists of proline and urea (Proline:Urea, PU), both of which are naturally occurring compounds that are readily available, cost-effective, and environmentally benign. Various fundamental aspects of the DES-type CE media were investigated, including thermal property, viscosity, electroconductivity, Joule heating effect, and compatibility with detectors. A simulated complex mixture of ten naphthalene-based compounds with varied charges and sizes was separated using the DES-based medium in capillary zone electrophoresis (CZE) mode. Moreover, we also established a DES-based micellar electrokinetic chromatography (MEKC) system utilizing Tween-20 as the surfactant. Six structurally similar naphthalene derivatives (isomers) that couldn\'t be resolved by CZE were effectively separated due to their strong hydrophobic interaction with Tween-20 micelles within the DES medium. Given that DESs are \"designer\" solvents with highly tunable properties and environmentally friendly characteristics, this study demonstrates the potential of employing DESs as an alternative to organic solvents for greener CE separations.

A hemisynthesis \'in situ\' reaction of (thio)barbituric acids with an α,β-unsaturated aldehyde using perillaldehyde from Ammodaucus leucotrichus essential oil, afforded chromeno-pyrimidine derivatives B-1 and B-2. The reaction was carried out in water and water/ethanol medium without a catalyst. The obtained pyrimidines were identified by their spectral 1H,13C, Dept-135, HMBC, HSQC, COSY, and NOESY 2D. The antioxidant activity of both compounds was evaluated using different in vitro methods (DPPH, ABTS, and CUPRAC). The hemisynthesized molecules exhibited a bacteriostatic effect against ten tested gram (+) and gram (-) strains. According to the molecular docking analysis, B-1 showed lower binding energies compared to B-2 against (PDB: 1HD2) and (PDB: 1KZN) targets, which is in agreement with the ABTS and E. Coli assays. Furthermore, a probable promising anti-HIV activity was noticed against reverse transcriptase (PDB: 2RKI), a key enzyme for HIV replication. The ADME properties calculations showed no Lipinski\'s rule violation for both compounds.

Ag2O nanoparticle synthesis was carried out via co-precipitation technique based on using AgNO3 and secondary metabolites present in the aqueous extract of Opuntia humifusa fruit for the first time. The amount of measured total phenol, flavonoid content, flavone, and flavonol content, and anthocyanin were 38.46 μg eq gallic acid mg-1 extract, 8.34 μg eq quercetin mg-1 extract, 0.614 μg eq quercetin mg-1 DW, and 3.1 mmol L-1, respectively. Moreover, the predominant phenolic compound was gallic acid. Catechin and chlorogenic acid were found in both fruit juice and fruit aqueous extract. Scanning electron microscopy (SEM) of Ag2O-NPs showed the average particle size was 10.58 nm. Scanning electron microscopy, X-ray diffraction Spectroscopy, and UV/visible spectrometry also confirmed the synthesis. This study then focuses on IC50 and NO amount differences before and after the synthesis of Ag2O-NPs which were 448.29 and 101.38 μg mL-1 for IC50 and 35.7% and 62.6% for NO, respectively.