Chromoionophoric molecular probe infused bimodal porous polymer rostrum as solid-state ocular sensor for the selective and expeditious optical sensing of ultra-trace toxic mercury ions.

This study presents a distinctive solid-state naked-eye colorimetric sensing approach by encapsulating a chromoionophoric probe onto a hybrid macro-/meso-pore polymer scaffold for fast and selective sensing of ultra-trace Hg(II). The customized structural/surface properties of the poly(VPy-co-TM) monolith are attained by specific proportions of 2-vinylpyridine (VPy), trimethylolpropane trimethacrylate (TM), and pore-tuning solvents. The interconnected porous network of poly(VPy-co-TM), inherent superior surface area and porosity, is captivating for the homogeneous/voluminous incorporation of probe molecules, i.

Molecular receptors integrated bimodal porous polymer scaffolds as portable solid-state optical ion-sensors and extractors for the selective capturing of ultra-trace toxic copper ions.

Background: Environmental contamination by heavy metal ions has caused growing ecological and public health concerns. In this line, monitoring of copper toxicity gains importance due to its application in industrial, agricultural, domestic, medical and technological sectors. Although noteworthy breakthroughs were made, critical issues, such as portability, the need for well-trained personnel, costly/complex instrumentations, long response time, and the introduction of secondary contaminants, required attention.

Sustainable and reusable probe-encapsulated porous poly(AMST-co-TRIM) monolithic sensor for the selective and ultra-sensitive detection of toxic cadmium(II) from industrial/environmental wastewater.

This study focuses on a new type of fast responsive solid-state visual colorimetric sensor, custom engineered with dual-entwined porous polymer imbued with chromoionophoric 4-(sec-butyl)- 2-((5-mercapto-1,3,4-thiadiazol-2-yl)diazenyl)phenol (SMDP) probe for selective and ultra-sensitive colorimetric sensing of Cd(II). The polymer monolith, i.e.

Amide-decorated reusable C silica-packed columns for the rapid, efficient and sequential separation of lanthanoids using reversed phase-high performance liquid chromatography.

The current work focuses on the sequential separation of trivalent lanthanides (except Pm) using modified C silica-packed supports through the reversed-phase high-performance liquid chromatography (RP-HPLC) technique. In the current research, four indigenously synthesized amphiphilic aromatic triamide derivatives, namely N, N, N, N, N, N-hexa(alkyl) benzene-1,3,5-tri carboxamide (alkyl = butyl, hexyl, octyl, and decyl), were employed as column modifiers. The results show that the separation of Ln can be achieved systematically (< 12 min) by tuning the modifiers' functional group and hydrophobic chain and fine-tuning the column modification procedure and separation parameters.

Exploring phosphoryl oxygen basicity in U(VI) complexation: A comparative study from trialkyl phosphate to phosphine oxide.

The conventional argument that extraction efficiency depends on the "basicity of the phosphoryl oxygen" is thoroughly examined in this study. The analysis involves studying the electronic structures of various ligands, such as phosphate, phosphonate, phosphinate, and phosphine oxide, as well as variations in their alkyl chain length, and their corresponding uranium complexes. The studies revealed a significant amount of destabilizing strain and steric repulsion for ligands having longer alkyl chains upon complexation.

Fabrication of reusable probe impregnated polymer monolithic sensor for the visual detection of Cd in natural waters and cigarette samples.

This work demonstrates the fabrication of a simple, low-cost naked-eye colorimetric solid-state sensor model for selective sensing of Cd. The sensor was developed using a polymer monolithic architect; namely, poly(n-allylthiourea-co-ethyleneglycol dimethacrylate) (poly(ATU-co-EGD) imbued with the chromophoric probe, 3-(quinoline-8-yldiazenyl)quinoline-2,4-diol (QYQD). The concocted indigenous perforated structural assemblies were studied through various microscopic, spectroscopic, and diffraction techniques.

Fast and selective reversed-phase high performance liquid chromatographic separation of UO and Th ions using surface modified C silica monolithic supports with target specific ionophoric ligands.

Reprocessing nuclear-spent fuels is highly demanded for enhanced resource efficacy and removal of the associated radiotoxicity. The present work elucidates the rapid separation of UO and Th ions using a reversed-phase high-performance liquid chromatographic (RP-HPLC) technique by dynamically modifying the surface of a C silica monolith column with target-specific ionophoric ligands. For the dynamic modification, four analogous aromatic amide ligands, , , , , , -hexa(alkyl)benzene-1,3,5-tricarboxamide (alkyl = butyl, hexyl, octyl, and decyl) as column modifiers were synthesized.

Insights into the Coordination Behavior of Methyl-Substituted Phosphinic Acids with Actinides.

The electronic structure and complexation behavior of methyl-substituted phosphinic acids with U(VI) and Pu(IV) were explored by applying quantum chemical methods. In contrast to Ingold's classification, our results indicate that the methyl group is electron-withdrawing, reducing the phosphoryl group electron density in substituted phosphinic acids. The magnitude of the computed complexation energy values increases along with the series, PA → MPA → DMPA, and MP → MMP → MDMP, implying an increasing complexation tendency upon methyl group substitution for both U(VI) and Pu(IV) complexes.

ZrO-AgO nanocomposites encrusted porous polymer monoliths as high-performance visible light photocatalysts for the fast degradation of pharmaceutical pollutants.

This work reports a unique ZrO-AgO heterojunction nanocomposite uniformly dispersed on a macro-/meso-porous polymer monolithic template to serve as simple and effective visible light-driven heterogeneous plasmonic photocatalysts for water decontamination. The monolithic photocatalysts' structural properties and surface morphology are characterized using various surface and structural characterization techniques. The photocatalytic performance of the proposed photocatalysts is evaluated by optimizing multiple operational parameters.

Highly efficient functionalized MOF-LIC-1 for extraction of U(VI) and Th(IV) from aqueous solution: experimental and theoretical studies.

A set of four new functionalized MOFs, namely MOF-LIC-DPPC, MOF-LIC-GA, MOF-LIC-PCA and MOF-LIC-SA, were synthesized the post-synthetic modification (PSM) strategy using MOF-LIC-1 for efficient extraction of U(VI) and Th(IV) from an aqueous medium. FTIR, powder XRD, TGA and SEM-EDX were employed for characterization of the functionalized MOFs. Sorption studies for U(VI) and Th(IV) were performed by monitoring the pH and contact time.

Molecular and Spectroscopic Insights into a Metal Salt-Based Deep Eutectic Solvent: A Combined Quantum Theory of Atoms in Molecules, Noncovalent Interaction, and Density Functional Theory Study.

Deep eutectic solvents (DESs) based on metal halide salts are highly catalytic, low toxic, reusable, cost-effective, and have higher thermal stability than their analogue ionic liquids (ILs). In this work, we have reported the formation mechanism of metal salt-based DESs at the molecular level along with their charge-transfer analysis and thermodynamics associated with their formation using density functional theory. The DES systems analyzed in the present work were choline chloride and tin(II)chloride (DES1) and choline chloride and zinc(II)chloride (DES2), both in a molar ratio of 1:2, respectively.

Probe decorated porous silica and polymer monoliths as solid-state optical sensors and preconcentrators for the selective and fast recognition of ultra-trace arsenic ions.

In this work, we manifested a new approach in designing solid-state colorimetric sensors for the selective optical sensing of As. The sensor fabrication is modulated using, (i) a cubic mesopores of ordered silica monolith, and (ii) a bimodal macro-/meso-porous polymer monolith, as hosting templates that are immobilized with a tailor-made chromoionophoric probe (DFBEP). The surface morphology and structural dimensions of the monolith templates and the sensor materials are characterized using p-XRD, XPS, FE-SEM-EDAX, HR-TEM-SAED, FT-IR, TGA, and BET/BJH analysis.

On the Nature of the Carbonyl versus Phosphoryl Binding in Uranyl Nitrate Complexes†.

The electronic structure of ligands with phosphoryl and carbonyl binding sites and their complexation behavior with uranyl nitrate were investigated using density functional theory (DFT). The quantum chemical calculations indicate that the electronic charges on both phosphoryl and carbonyl groups are more polarized toward oxygen atoms in isolated ligands. This effect is predominant in the case of complexes of the former.

Solid-state ion recognition strategy using 2D hexagonal mesophase silica monolithic platform: a smart two-in-one approach for rapid and selective sensing of Cd and Hg ions.

The possibility of a multifunctional and reversible solid-state colorimetric sensor is described for the identification and quantification of ultra-trace Cd and Hg ions, using a honeycomb-structured mesoporous silica monolith conjoined with an indigenous chromoionophoric probe, i.e., 4-hexyl-6-((5-mercapto-1,3,4-thiadiazol-2-yl)diazenyl)benzene-1,3-diol (HMTAR).