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Highly responsive and optically selective (E)-1-((4-phenoxyphenyl) diazenyl)naphthalen-2-ol) sensor PDN with aggregation induced emission enhancement (AIEE) properties has been developed for the sequential detection of Cu 2+ and L- Cysteine through fluorescence On-Off-On strategy. The selectivity of sensor depends on the presence of a diazo functional group and its appropriate cavity location in sensor molecule. Azo dye-based (E)-1-((4-phenoxyphenyl) diazenyl)naphthalen-2-ol) sensor PDN has been synthesized by utilizing a simple diazotization synthetic methodology that showed extraordinary AIEE behavior with bathochromic shift owing to the formation of J-aggregates. The morphology and size of aggregates were analyzed by SEM and DLS analysis, respectively. The calculated LOD of sensor PDN for Cu 2+ , and L-cysteine is 0.113 nM, and 84 nM, respectively. Fluorescence, UV-visible, LC-MS, 1 H and 13 C NMR titration were carried out to understand the interaction of sensor with Cu 2+ . The sensor was practically utilized in the sequential sensing of Cu 2+ and Cys in real samples. Interestingly, sensor PDN was successfully employed for the sensing of a strong acid and base as well as the detection of Cu 2+ ions in the solid state. Moreover, these experimental results were supported through DFT calculations., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)

High concentrations of deferasirox (DFX) in living organisms cause hepatic, gastric and renal malfunctions. Therefore, it is significant to establish an accurate and efficient approach for the detection of deferasirox (DFX) to protect public health. Herein, we synthesized a thiourea-based diphenylacetamide probe MPT for the effective sensing of deferasirox through the fluorescence quenching phenomenon. The designed probe MPT shows a fluorescence quenching response toward deferasirox (DFX) through photo-induced electron transfer (PET). Furthermore, DFT studies were performed to support the experimental results. 1 H-NMR titration experiment was used to explore the interaction type between probe MPT and DFX. The existence of non-covalent interactions was verified with spectroscopic studies that were assisted by NCI studies, QTAIM and SAPT0 analysis. Dynamic light scattering (DLS) analysis and scanning electron microscopy (SEM) were used to investigate the complexation of probe MPT with DFX. Moreover, the on-site solution phase and solid-state detection of DFX by probe MPT are executed. Additionally, the practical applications of probe MPT to sense DFX were also revealed in human plasma as well as in artificial urine samples., Competing Interests: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (This journal is © The Royal Society of Chemistry.)

Overuse of doxycycline (DOXY) can cause serious problems to human health, environment and food quality. So, it is essential to develop a new sensing methodology that is both sensitive and selective for the quantitative detection of DOXY. In our current research, we synthesized a simple fluorescent probe 4,4'-bis(benzyloxy)-1,1'-biphenyl (BBP) for the highly selective detection of doxycycline by through fluorescence spectroscopy. The probe BBP displayed ultra-sensitivity towards doxycycline due to Forster resonance energy transfer (FRET). Fluorescence spectroscopy, density functional theory (DFT), 1 H NMR titration, UV-Vis, and Job's plot were used to confirm the sensing mechanism. The charge transfer between the probe and analyte was further examined qualitatively by electron density differences (EDD) and quantitively by natural bond orbital (NBO) analyses. Whereas the non-covalent nature of probe BBP towards DOXY was verified by theoretical non-covalent interaction (NCI) analysis as along with Bader's quantum theory of atoms in molecules (QTAIM) analysis. Furthermore, probe BBP was also practically employed for the detection of doxycycline in fish samples, pharmaceutical wastewater and blood samples., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)

Metal-organic frameworks (MOFs)-based therapy opens a new area for antibiotic-drug free infections treatment. In the present study, chitosan membranes (CS) loaded with two concentrations of copper-MOF 10 mg/20 ml (Cu-MOF10/CS) & 20 mg/20 ml (Cu-MOF20/CS) were prepared by a simple lyophilization procedure. FTIR spectra of Cu-MOF10/CS and Cu-MOF20/CS dressings confirmed absence of any undesirable chemical changes after loading Cu-MOF. The SEM images of the synthesized materials (CS, Cu-MOF10/CS & Cu-MOF20/CS) showed interconnected porous structures. Cytocompatibility of the materials was confirmed by fibroblasts cells culturing and the materials were hemocompatible, with blood clotting index <5 %. Cu-MOF20/CS showed comparatively higher effective antibacterial activity against the tested strains; E. coli (149.2 %), P. aeruginosa (165 %) S. aureus (117.8 %) and MRSA (142 %) as compared to Amikacin, CS and Cu-MOF10/CS membranes. Similarly, Cu-MOF20/CS dressing significantly eradicated the biofilms; P. aeruginosa (37 %) and MRSA (52 %) respectively. In full thickness infected wound rat model, on day 23, Cu-MOF10/CS and Cu-MOF20/CS promoted wound healing up to 87.7 % and 82 % respectively. H&E staining of wounded tissues treated with Cu-MOF10/CS & Cu-MOF20/CS demonstrated enhanced neovascularization and re-epithelization along-with reduced inflammation, while trichrome staining exhibited increased collagen deposition. Overall, this study declares Cu-MOFs loaded chitosan dressings a multifunctional platform for the healing of infected wounds., Competing Interests: Declaration of competing interest The authors declare no conflict of interest., (Copyright © 2024 Elsevier B.V. All rights reserved.)

An electron rich isophthalamide based sensor IPA has been synthesized through a simple two-step reaction, containing noteworthy aggregation induced emission (AIE) properties. Considering the significant emission with λ max at 438 nm, sensor IPA has been employed for the sensing of nitrobenzene (NB) in solid, solution and vapor state with high sensitivity and selectivity. Sensor IPA showed noteworthy colorimetric and fluorometric quenching in fluorescence emission when exposed to NB. Small size of NB and involvement of photoinduced electron transfer (PET) lead to detection of NB down to 60 nM. IPA-NB interaction was studied through UV-Vis. spectroscopic studies along with fluorescence spectroscopy. Moreover, 1 H and 13 C NMR titration experiments provided additional support for determination of interaction type. Furthermore, by using density functional theory (DFT) calculations, thermodynamic stability was studied. Additionally, non-covalent interactions (NCI), frontier molecular orbitals (FMO), density of states (DOS), were investigated for providing further evidence of nitrobenzene sensing and its interaction with sensor. Natural bond orbital (NBO) analysis was carried out for charge transfer studies. Quantum theory of atom in molecule (QTAIM) and SAPT0 studies provided information about interaction points and binding energy. Additionally, IPA was investigated for NB sensing in real water samples, and its effective participation in solid state on-site detection as well as in solution phase was brought to light along with logic gate construction., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)

A deferasirox based substituted triazole amine sensor TAD has been synthesized for the highly selective detection of nitrobenzene in real samples. Sensor TAD exhibited selective quenching response against nitrobenzene among the other nitroaromatic compounds (NACs). Photoinduced electron transfer (PET) process was devised as plausible sensing mechanisms which was supported via UV-visible and fluorescence spectroscopy, 1 H NMR titration experiment, density functional theory (DFT) analysis and Job's plot. Non-covalent interaction (NCI) analysis and Bader's quantum theory of atoms in molecules (QTAIM) analysis were performed to investigate the presence of non-covalent interactions and symmetry perturbation theory (SAPT0) was performed for energy decomposition and quantitative analysis of interaction energies between sensor TAD and NB. Furthermore, sensor TAD was practically applied for the identification of NB in real samples., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier B.V. All rights reserved.)

Aim: To synthesize a novel series of norfloxacin analogs and to evaluate biological activity. Methodology: Novel norfloxacin analogs were synthesized and characterized by NMR and mass spectrometry. Antiproliferative and antioxidant properties were studied. Results: Compound 2f was the most potent against HeLa cell-line with 100% inhibition of cell viability IC 50  = 3.1 ± 0.2 μM. All compounds exhibit moderate to excellent antioxidant properties. Docking study demonstrates higher binding affinity of compounds with respective anticancer (B-cell lymphoma-2) and (tyrosinase) antioxidant targets. In silico absorption, distribution, metabolism and excretion profile of compounds proves all synthesized compounds follow Lipinski's rule of drug likeness, non toxic and possess passive gastrointestinal absorption. Conclusion: The biological profile suggest that the synthesized norfloxacin analogs can be a novel scaffold for future anticancer drug development.

Aim: To synthesize and explore the therapeutic potential of amodiaquine analogues. Methodology: New promising analogues were synthesized by nucleophilic substitution at the 4-amino position and were characterized using 1 H NMR, 13 C NMR and FT-IR spectroscopic techniques. Results: Antibacterial and cytotoxic screening revealed the high potency of these compounds; analogue AS1 had an 34.3 ± 0.18 mm zone of inhibition against Pseudomonas aeruginosa . Excellent activity against fungal strains, that is, Candida albicans (39.6 ± 0.23 mm) was shown by analogue AS2. Analogue AS1 had an IC 50  = 4.2 μg/ml against the HeLa cell line (cervical cancer) and binding energy against 5GWK (-8.32688 kcal/mol), 1PFK (-6.4780 kcal/mol) and 1TUP (-6.5279 kcal/mol) in the docking study. Conclusion: The obtained results reveal that these analogues exhibit potent antimicrobial and cytotoxic potential.

Triazine based fluorescent sensor TBT was rationally designed and synthesized to achieve sequential detection of Hg 2+ and L-cysteine based on the presence of sulfur moiety and suitable cavity in the molecule. Sensor TBT exhibited excellent sensing potential for the selective detection of Hg 2+ ions and L-cysteine (Cys) in real samples. Upon addition of Hg 2+ to sensor TBT, enhancement in emission intensity of sensor TBT was observed which was accredited to the presence of sulfur moiety and size of cavity in the sensor. Upon interaction with Hg 2+ blockage of intramolecular charge transfer (ICT) along with chelation-enhanced fluorescence (CHEF) resulted in the increase in fluorescence emission intensity of sensor TBT. Further, TBT-Hg 2+ complex was employed for the selective detection of Cys through fluorescence quenching mechanism. This was attributed to the significantly stronger interaction of Cys with Hg 2+ , which resulted in the formation of Cys-Hg 2+ complex and subsequently sensor TBT was released from TBT-Hg 2+ complex. The nature of interaction between TBT-Hg 2+ and Cys-Hg 2+ complex was evaluated through 1 H NMR titration experimentations. Extensive DFT studies were also carried out which include thermodynamic stability, frontier molecular orbitals (FMO), density of states (DOS), non-covalent interaction (NCI), quantum theory of atom in molecule (QTAIM), electron density differences (EDD) and natural bond orbital (NBO) analyses. All the studies supported the non-covalent type of interaction between analytes and sensor TBT. The limit of detection for Hg 2+ ions was found to be as low as 61.9 nM. Sensor TBT was also employed for the quantitative detection of Hg 2+ and Cys in real samples. Additionally, logic gate was fabricated by using sequential detection strategy., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier B.V. All rights reserved.)

Abnormal levels of mefenamic acid (MFA) in living organisms can result in hepatic necrosis, liver, and gastrointestinal diseases. Therefore, development of accurate and effective method for detection of MFA is of great significance for the protection of public health. Herein, we designed a stilbene based sensor ECO for the sensitive and selective detection of mefenamic acid by employing fluorescence spectroscopy for the first time. The developed sensor ECO displayed fluorescence turn-off response towards MFA based on PET (photoinduced electron transfer) and hydrogen bonding. The sensing mechanism of MFA was investigated through 1 H NMR titration experiment and density functional theory (DFT) calculations. The presence of non-covalent interaction was confirmed through spectroscopic analysis and was further supported by non-covalent interaction (NCI) analysis and Bader's quantum theory of atoms in molecules (QTAIM) analysis. Additionally, the sensor ECO coated test strips were fabricated for on-site detection of mefenamic acid. Furthermore, the practical applicability of sensor ECO to detect MFA was also explored in human blood and artificial urine samples., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier B.V. All rights reserved.)

The major cause of hyperglycemia can generally be attributed to β-glucosidase as per its involvement in non-alcoholic fatty liver disease. This clinical condition leads to liver carcinoma (HepG2 cancer). The phthalimides and phthalamic acid classes possess inhibitory potential against glucosidase, forming the basis for designing new phthalimide and phthalamic acid analogs to test their ability as potent inhibitors of β-glucosidase. The study also covers in silico (molecular docking and MD simulations) and in vitro (β-glucosidase and HepG2 cancer cell line assays) analyses. The phthalimide and phthalamic acid derivatives were synthesized, followed by spectroscopic characterization. The mechanistic complexities associated with β-glucosidase inhibition were identified via the docking of the synthesized compounds inside the active site of the protein, and the results were analyzed in terms of the best binding energy and appropriate docking pose. The top-ranked compounds were subjected to extensive MD simulation studies to understand the mode of interaction of the synthesized compounds and binding energies, as well as the contribution of individual residues towards binding affinities. Lower RMSD/RMSF values were observed for 2c and 3c , respectively, in the active site, confirming more stabilized, ligand-bound complexes when compared to the free state. An anisotropic network model was used to unravel the role of loop fluctuation in the context of ligand binding and the dynamics that are distinct to the bound and free states, supported by a 3D surface plot. An in vitro study revealed that 1c (IC 50 = 1.26 µM) is far better than standard acarbose (2.15 µM), confirming the potential of this compound against the target protein. Given the appreciable potential of the candidate compounds against β-glucosidase, the synthesized compounds were further tested for their cytotoxic activity against hepatic carcinoma on HepG2 cancer cell lines. The cytotoxicity profile of the synthesized compounds was performed against HepG2 cancer cell lines. The resultant IC 50 value (0.048 µM) for 3c is better than the standard (thalidomide: IC 50 0.053 µM). The results promise the hypothesis that the synthesized compounds might become potential drug candidates, given the fact that the β-glucosidase inhibition of 1c is 40% better than the standard, whereas compound 3c holds more anti-tumor activity (greater than 9%) against the HepG2 cell line than the known drug.

A novel triphenylamine (TPA) based sensor TTU was rationally designed and synthesized that exhibited reversible mechanochromic and aggregation induced emission enhancement (AIEE) properties. The AIEE active sensor was employed for fluorometric detection of Fe 3+ in aqueous medium, with distinguished selectivity. The sensor showed a highly selective quenching response towards Fe 3+ that is ascribed to complex formation with paramagnetic Fe 3+ . Subsequently, TTU-Fe 3+ complex acted as a fluorescence sensor for the detection of deferasirox (DFX). The subsequent addition of DFX to TTU-Fe 3+ complex led to the recovery of fluorescence emission intensity of sensor TTU that was attributed to the displacement of Fe 3+ by DFX and release of sensor TTU. The proposed sensing mechanisms for Fe 3+ and DFX was confirmed through 1 H NMR titration experiment and DFT calculations. Frontier molecular orbitals (FMO), density of states (DOS), natural bond orbital (NBO), non-covalent interaction (NCI) and electron density difference (EDD) analysis were performed using DFT calculations to support the experimental results. Moreover, sensor TTU displayed colorimetric detection of Fe 3+ . Further, the sensor was employed for the detection of Fe 3+ and DFX in real water samples. Finally, logic gate was fabricated by using sequential detection strategy., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier B.V. All rights reserved.)

Being one of the vital reactive oxygen species (ROS), abnormal level of hypochlorite ion (ClO - ) may pose detrimental threats to living organisms. Therefore, highly selective, and rapid monitoring of ClO - in living system is of prime importance to protect living organisms from its harmful effects. In this regard, design of synthetic fluorescent probes for ClO - has garnered considerable attention. However less fluorescence emission in aggregated state and less photostability of several existing probes for ClO - inspired us to design aggregation induced emission (AIE) active fluorescent probes SH1 and SH2. Probes were rationally designed by introducing thiourea moiety that selectively reacted through desulfurization reaction and resulted in highly selective detection of ClO - . Hypochlorite induced desulfurization reaction was validated through 1 H NMR titration and DFT studies. Fine tuning of probes SH1 and SH2 prompted highly sensitive nanoscale (55 nM and 77 nM) and rapid (15 and 35 sec) detection of ClO - . Probe SH1 displayed less cytotoxic effect to live cells before it was successfully applied for bioimaging of ClO - in live MCF-7 cells. Moreover, probes displayed excellent sensing potential for ClO - in blood serum and real water samples. Advantageously, probe coated portable fluorescent films were fabricated for the easy and fast monitoring of ClO - . Of note, this work offers excellent design strategy for highly selective detection of ClO - that may lead to clinical trials., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier B.V. All rights reserved.)

A new naphthalimide-based fluorescent probe NS with exceptional J-aggregates based aggregation-induced emission enhancement (AIEE) properties was rationally synthesized through a single-step imidation reaction. Probe NS exhibited excellent AIEE properties in aqueous media through the formation of J-aggregates with remarkable red-shift. The AIEE active probe NS was used for selective and sensitive detection of nitrobenzene (NB) based on fluorescence quenching response. Formation of J-aggregates was assessed through fluorescence titration. These J-aggregates contributed significantly to produce favorable interaction between probe NS and NB. The highly selective fluorescence detection of NB was accredited to the adjustable smaller size of NB that can easily penetrate into interstitial spaces of probe molecules. Ability of sensor to detect NB in solid state was also accomplished through solid state fluorescence spectroscopy. Nature of interaction and sensitivity of probe NS for NB has also been investigated through 1 H NMR titration and density functional theory (DFT) including non-covalent interaction (NCI), quantum theory of atom in molecule (QTAIM), electron density differences (EDD), frontier molecular orbitals (FMO) and density of states (DOS) analysis. Advantageously, probe exhibited colorimetric and vapor phase detection of NB. Moreover, probe was quite sensitive for the trace detection of NB in real samples., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2022 Elsevier B.V. All rights reserved.)

Being one of the important reactive oxygen species (ROS), hypochlorite ions (ClO - ) are involved in the control of several pathological and physiological processes. However, overexpression of ClO - may prompt several disorders including cancer. Therefore, two fluorescein functionalized compounds with catechol (probe 1) and 2-naphthyl (probe 2) as substituents were synthesized through Schiff base reaction to recognize ClO - in food items and industrial samples. While probe 2 exhibited turn-off fluorescent response towards ClO - with limit of detection (LOD) of 86.7 nM, structurally alike probe 1 showed excellent ratiometric response with low detection limit (36.3 nM), large Stokes shift (353 nm), and 'fast' response time (15 s). 1 H NMR titration experiments favored spiroring opening of probe 1 upon the reaction with ClO - . Probe 1 was successfully utilized for the monitoring of exogenous ClO - in industrial samples. Further, fabrication of probe coated fluorescent paper strips and recognition of ClO - in sprouting potato show diverse practical applicability of our probes., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2022 Elsevier B.V. All rights reserved.)

This study reports the mercury binding by bentonite clay influenced by cattle manure-derived dissolved organic matter (DOM). The DOM (as total organic carbon; TOC) was reacted with bentonite at 5.2 pH to monitor the subsequent uptake of Hg 2+ for 5 days. The binding kinetics of Hg 2+ to the resulting composite was studied (metal = 350 µM/L, pH 5.2). Bentonite-DOM bound much more Hg 2+ than original bentonite and accredited to the establishment of further binding sites. On the other hand, the presence of DOM was found to decrease the Hg 2+ binding on the clay surface, specifically, the percent decrease of metal with increasing DOM concentration. Post to binding of DOM with bentonite resulted in increased particle size diameter (~ 33.37- ~ 87.67 nm) by inducing the mineral modification of the pore size distribution, thus increasing the binding sites. The XPS and FTIR results confirm the pronounced physico-chemical features of bentonite-DOM more than that of bentonite. Hydroxyl and oxygen vacancies on the surface were found actively involved in Hg 2+ uptake by bentonite-DOM composite. Furthermore, DOM increased the content of Hg 2+ binding by ~ 10% (pseudo-second-order q e  = 90.9-100.0) through boosting up Fe 3+ reduction with the DOM. The quenching experiment revealed that more oxygen functionalities were generated in bentonite-DOM, where hydroxyl was found to be dominant specie for Hg 2+ binding. The findings of this study can be used as theoretical reference for mineral metal interaction under inhibitory or facilitating role of DOM, risk assessment, management, and mobilization/immobilization of mercury in organic matter-containing environment., (© 2022. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.)

Stimuli responsive sensors QI 1 and QI 2 were rationally developed which exhibited diverse features of mutable mechanofluorochromism, reversible photochromism, solvatochromism, aggregation induced emission enhancement (AIEE), and metal ion sensing. After observing the exceptional structural property relationship, sensors were applied for reversible colorimetric and fluorometric determination of Ni 2+ with low detection limits of 12 and 17 nM, respectively. Fluorescence emission enhancement based Ni 2+ sensing was induced by chelation enhanced fluorescence (CHEF) mechanism. CHEF is triggered by the inhibition of excited state intramolecular proton transfer (ESIPT) and -C=N isomerization. The proposed Ni 2+ sensing mechanism was investigated through 1 H NMR, FT-IR titration, theoretical studies, and Jobs plots. Further, the developed sensors successfully demonstrated the selective acid-base induced absorption/emission switching through reversible ring-opening/closing and keto-enol tautomerization, evidenced by 1 H NMR titration experiments. Additionally, the sensitivity of the sensor QI 1 towards Ni 2+ was effectively mimicked in live MCF-7 cells and industrial effluents. Furthermore, monitoring of Ni 2+ ions was also accessed through inexpensive and portable sensors' coated fluorescent films. Finally, an INHIBIT logic gate was fabricated imputing Ni 2+ and EDTA as input signals to electronically scrutinize the targeted Ni 2+ ., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2022 Elsevier B.V. All rights reserved.)

Small molecules with nitrogen-containing scaffolds have gained much attention due to their biological importance in the development of new anticancer agents. The present paper reports the synthesis of a library of new dihydropyridine and pyridine analogs with diverse pharmacophores. All compounds were tested against the human tissue nonspecific alkaline phosphatase ( h -TNAP) enzyme. Most of the compounds showed excellent enzyme inhibition against h -TNAP, having IC 50 values ranging from 0.49 ± 0.025 to 8.8 ± 0.53 µM, which is multi-fold higher than that of the standard inhibitor (levamisole = 22.65 ± 1.60 µM) of the h -TNAP enzyme. Furthermore, an MTT assay was carried out to evaluate cytotoxicity against the HeLa and MCF-7 cancer cell lines. Among the analogs, the most potent dihydropyridine-based compound 4d was selected to investigate pro-apoptotic behavior. The further analysis demonstrated that compound 4d played a significant role in inducing apoptosis through multiple mechanisms, including overproduction of reactive oxygen species, mitochondrial dysfunction, DNA damaging, and arrest of the cell cycle at the G1 phase by inhibiting CDK4/6. The apoptosis-inducing effect of compound 4d was studied through staining agents, microscopic, and flow cytometry techniques. Detailed structure-activity relationship (SAR) and molecular docking studies were carried out to identify the core structural features responsible for inhibiting the enzymatic activity of the h -TNAP enzyme. Moreover, fluorescence emission studies corroborated the binding interaction of compound 4d with DNA through a fluorescence titration experiment.

Apart from environmental implications, the extreme toxicity of cyanide can lead to sudden human death upon prolonged exposure to it. Hence, rapid and low-level on-site detection of cyanide has earned paramount significance in the present era. Therefore, an AIEE active and piezofluorochromic Schiff base (probe 2) was synthesized which exhibited highly selective fluorescence enhancement based nanoscale (LOD; 6.17 nM) detection of CN - . The interaction mode was attributed to the deprotonation of the probe by the cyanide that was confirmed through 1 H NMR titration, pH, theoretical studies, and switchable fluorescence response upon the addition of HCl. Advantageously, probe 2 displayed solid and vapor phase recognition of cyanide which is the first of its kind as far as we know. The excellent sensing potential of the probe was satisfactorily applied for the detection of cyanide in food, natural soil, and industrial wastewater. Additionally, probe 2 showed an immediate colorimetric response towards cyanide which was favorably integrated through a smartphone. Finally, the switchable fluorescence response of the probe was used to design an INHIBIT logic gate. Therefore, the multifunctional probe 2 displayed excellent practical potential for cyanide detection which was the ultimate goal of our work.

Heterocyclic compounds with a five-membered ring as a core, particularly those containing more than one heteroatom, have a wide spectrum of biological functions, especially in enzyme inhibition. In this study, we present the synthesis of five-membered heterocyclic isoxazole derivatives via sonication of ethyl butyrylacetate with aromatic aldehyde in the presence of a SnII-Mont K10 catalyst. The synthesized compounds were characterized using sophisticated spectroscopic methods. In vitro testing of the compounds reveals three derivatives with significant inhibitory action against carbonic anhydrase (CA) enzyme. The compound AC2 revealed the most promising inhibitory activity against CA among the entire series, with an IC 50 = 112.3 ± 1.6 μM (% inh = 79.5) followed by AC3 with an IC 50 = 228.4 ± 2.3 μM (% inh = 68.7) compared to the standard with 18.6 ± 0.5 μM (% inh = 87.0). Molecular docking (MD) study coupled with extensive MD simulations (400 ns) and MMPBSA study fully supported the in vitro enzyme inhibition results, evident from the computed Δ G bind (AC2 = -13.53 and AC3 = -12.49 kcal/mol). The in vitro and in silico studies are also augmented by a fluorescence-based enzymatic assay in which compounds AC2 and AC3 showed significant fluorescence enhancement. Therefore, on the basis of the present study, it is inferred that AC2 and AC3 may serve as a new framework for designing effective CA inhibitors., Competing Interests: The authors declare no competing financial interest., (© 2022 The Authors. Published by American Chemical Society.)

(1) Background: Achillea mellifolium belongs to a highly reputed family of medicinal plants, with plant extract being used as medicine in indigenous system. However, limited data is available regarding the exploitation of the medicinal potential of isolated pure compounds from this family; (2) Methods: A whole plant extract was partitioned into fractions and on the basis of biological activity, an ethyl acetate fraction was selected for isolation of pure compounds. Isolated compounds were characterized using different spectroscopic techniques. The compounds isolated from this study were tested for their medicinal potential using in-vitro enzyme assay, coupled with in-silico studies; (3) Results: Three new acrylic acid derivatives ( 1 - 3 ) have been isolated from the ethyl acetate fraction of Achillea mellifolium . The characterization of these compounds ( 1 - 3 ) was carried out using UV/Vis, FT-IR, 1D and 2D-NMR spectroscopy ( 1 H-NMR, 13 C-NMR, HMBC, NOESY) and mass spectrometry. These acrylic acid derivatives were further evaluated for their enzyme inhibition potential against urease from jack bean and α glucosidase from Saccharomyces cerevisiae, using both in-silico and in-vitro approaches. In-vitro studies showed that compound 3 has the highest inhibition against urease enzyme (IC 50 =10.46 ± 0.03 μΜ), followed by compound 1 and compound 2 with percent inhibition and IC 50 value of 16.87 ± 0.02 c and 13.71 ± 0.07 μΜ, respectively, compared to the standard (thiourea-IC 50 = 21.5 ± 0.01 μΜ). The investigated IC 50 value of compound 3 against the urease enzyme is two times lower compared to thiourea, suggesting that this compound is twice as active compared to the standard drug. On the other hand, all three compounds ( 1 - 3 ) revealed mild inhibition potential against α -glucosidase. In-silico molecular docking studies, in combination with MD simulations and free energy, calculations were also performed to rationalize their time evolved mode of interaction inside the active pocket. Binding energies were computed using a MMPBSA approach, and the role of individual residues to overall binding of the inhibitors inside the active pockets were also computed; (4) Conclusions: Together, these studies confirm the inhibitory potential of isolated acrylic acid derivatives against both urease and α -glucosidase enzymes; however, their inhibition potential is better for urease enzyme even when compared to the standard.

The search for novel heterocyclic compounds with a natural product skeleton as potent enzyme inhibitors against clinical hits is our prime concern in this study. Here, a simple and facile two-step strategy has been designed to synthesize a series of novel coumarin-based dihydropyranochromenes ( 12a - 12m ) in a basic moiety. The synthesized compounds were thus characterized through spectroscopic techniques and screened for inhibition potency against the cytosolic hCA II isoform and β-glucuronidase. Few of these compounds were potent inhibitors of hCA II and β-glucuronidase with varying IC 50 values ranging from 4.55 ± 0.22 to 21.77 ± 3.32 μM and 440.1 ± 1.17 to 971.3 ± 0.05 μM, respectively. Among the stream of synthesized compounds, 12e and 12i were the most potent inhibitors of β-glucuronidase, while 12h , 12i , and 12j showed greater potency against hCA II. In silico docking studies illustrated the significance of substituted groups on the pyranochromene skeleton and binding pattern of these highly potent compounds inside enzyme pockets., Competing Interests: The authors declare no competing financial interest., (© 2022 The Authors. Published by American Chemical Society.)

Rational modification of molecular structure by incorporating electron donating groups can play a potential role for designing aggregation induced emission (AIE) active fluorescent probes. Based on this principle, fluorescent probes (1a-c) were synthesized, and they displayed excellent aggregation induced emission (AIE) behavior in a H 2 O/DMF (4 : 1, v / v ) mixture due to restrictions in intramolecular charge transfer (ICT). As a comparison, probe 1d was synthesized by installing an electron withdrawing (-NO 2 ) group that surprisingly quenched the aggregation behaviour. Additionally, AIE active probes 1a-c displayed a highly sensitive dual channel (fluorometric and colorimetric) response towards rapid detection of CN - , which is an active toxic material. Probes 1a-c showed selectively enhanced fluorescence emission behavior towards CN - with detection limits of 1.34 ppb, 1.38 ppb, and 1.54 ppb, respectively. The sensing mechanism involves Michael type adduct formation due to the nucleophilic addition reaction of cyanide with probes and was confirmed through 1 H NMR titration experiments. In contrast, probe 1d containing an electron withdrawing moiety showed insensitivity towards CN - . Therefore, this study provides the efficient strategy to induce AIE character in fluorescent probes and expands the mechanistic approach toward the sensing of toxic CN - ., Competing Interests: The authors declare no conflict of interest., (This journal is © The Royal Society of Chemistry.)

Rapid detection of 2,4,6-trinitrophenol (TNP) in real samples has recently attained considerable attention from the perspective of national security, human health, and environmental safety. In this context, cost-effective and convenient detection of TNP explosive was accomplished through two new fluorescein based sensors F2 and F3. Sensors displayed effective fluorescence quenching response towards TNP in the aqueous medium. Highly sensitive fluorescence detection of TNP explosive (detection limit, 0.73 (F2) and 1.7 nM (F3)) was governed by ground-state charge transfer complex formation, facilitated by favorable H-bonding between sensor and TNP explosive. Fluorescence quenching mechanism for the detection of TNP explosive was investigated through UV-Visible absorption, dynamic light scattering (DLS), density functional theory (DFT) calculations, the Benesi-Hildebrand, and Job's plots. Advantageously, sensors displayed selective and immediate colorimetric recognition of TNP explosive. Importantly, sensors exhibited quick response time towards TNP even in the presence of potential interferences that make them highly suitable for practical applications. Sensors were successfully applied for fluorescent and colorimetric detection of TNP explosive in industrial water samples and fabrication of logic gates. Further, convenient contact mode and instant surface sensing of TNP explosive were achieved through the fabrication of fluorescent strips and explosive responsive test kits., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2022 Elsevier B.V. All rights reserved.)

Fluorenone-based fluorescent and colorimetric sensors 1 and 2 have been developed that displayed selective detection of iodide ions in the presence of interferences. Sensors displayed the fluorescence emission enhancement response toward I - with detection limits of 8.0 and 11.0 nM, respectively, which is accomplished through inhibition of intramolecular charge transfer and C=N isomerization. Excellent sensitivity and unique fluorescence enhancement response of sensors toward I - make them superior because most of the previously reported iodide sensors are based on the fluorescence quenching mechanism and are less sensitive. The sensing potential of sensors toward I - ions was investigated through 1 H NMR titration, dynamic light scattering, Job's plots, and density functional theory analysis. Further, sensors displayed reversible behavior by the alternate addition of I - and Cu 2+ ions that substantiate their role as recyclable sensors for the on-site detection of I - ions. Advantageously, fluorescence enhancement response of sensors was favorably used for fluorescence imaging of I - in live HeLa cells and the design of the logic gate. These sensors were successfully applied in diversified applications such as the preparation of sensors' coated paper strips and the determination of I - ions in blood serum, food, and real water samples., Competing Interests: The authors declare no competing financial interest., (© 2022 The Authors. Published by American Chemical Society.)

Nitroaromatic explosives are a class of compounds that are responsible for various health hazards and terrorist outrages. Among these, sensitive detection of 2,4,6-trinitrophenol (TNP) explosive has always been highly desirable considering public health and national security. In this regard, three fluorene-based conjugated polymers ( CP 1 , CP 2 , and CP 3 ) were synthesized through the Suzuki-Miyaura coupling reaction and were found to be highly sensitive for fluorescence detection of TNP with detection limits of 3.2, 5.7, and 6.1 pM, respectively. Excellent selectivity of CPs toward TNP was attributed to their unique π-π interactions based on fluorescence studies and density functional theory (DFT) calculations. The high sensitivity of CPs to TNP was attributed to the static quenching mechanism based on the photoinduced electron transfer process and was evaluated by fluorescence, UV-visible absorption, dynamic light scattering, Job's plots, the Benesi-Hildebrand plots, and DFT calculations. CPs were also used for colorimetric and real-water sample analysis for the detection of TNP explosive. Meanwhile, sensor-coated test strips were fabricated for on-site detection of TNP, which makes them convenient solid-supported sensors., Competing Interests: The authors declare no competing financial interest., (© 2021 The Authors. Published by American Chemical Society.)

Tetraphenylethylene (TPE) can be used to construct fluorescent probes with typical aggregation-induced emission (AIE) behavior for next-generation sensing applications. McMurry coupling and Suzuki cross coupling strategies provided the desired sensor thiophene-substituted tetraphenylethylene (THTPE). The synthesized TPE analogues were characterized by NMR spectroscopy and mass spectrometry. Maximum AIE of THTPE was observed in 90% water (H 2 O/THF) content due to extensive formation of aggregates. The AIE properties of THTPE have been utilized for facile detection of nitroaromatic compounds (NACs) (1.0 nM) through a fluorescence quenching mechanism. A paper strip adsorbed with the AIE-based THTPE fluorophore is developed for rapid and convenient detection of NAC-based analytes. Further, interaction of THTPE with analytes is also studied via Gaussian software at the DFT/B3LYP/6-31G(d) level of theory. Interaction energy, frontier molecular orbitals (FMOs), and non-covalent interaction (NCI) analyses are studied by using the same method. Computational results revealed that nitrobenzene (NB) has the strongest interaction while 1,3-dinitrobenzene (DNB) exhibits the least interaction with the sensor molecule. These computational results clearly demonstrate good agreement with experimental data., Competing Interests: The authors declare no competing financial interest., (© 2021 The Authors. Published by American Chemical Society.)

A simple and sensitive fluorometric method is developed utilizing aggregation-induced emission probe based silica nanoparticles for the detection of nitroaromatic explosives. A positively charged tetraphenylethene based probe (TPE-C2-2+) is doped into silica nanoparticles exploiting electrostatic interactions to produce TPE-SiO 2 nanoparticles with a uniform particle size. The TPE-SiO 2 nanoparticles exhibit strong fluorescence emission due to the aggregation-induced emission (AIE) effect of the doped TPE probe. The fluorescence emission of TPE-SiO 2 offers quantitative and sensitive response to picric acid (PA), 2,4-dinitrotoluene (DNT) and 2,4,6-trinitrotoluene (TNT) which are used as model examples of nitroaromatic compounds. The fluorescence spectroscopy results show that the fluorescence emission of TPE-SiO 2 was greatly quenched in the presence of the electron-poor nitroaromatic compounds due to the inner filter effect (IFE) and possibly the contact quenching mechanism. TPE-SiO 2 nanoparticles show better sensitivity towards PA and could detect PA down to 0.01 μM with a linear detection range of 0.1-50 μM. The increased chemical stability, efficient high sensitivity and simple synthesis of the TPE-SiO 2 nanoparticles demonstrate that they can be used as an excellent fluorescent probe for a wide range of electron-poor compounds, i.e. nitroaromatic compounds. Interference studies show that common interfering species with nitroexplosives such as acids, bases, volatile organic compounds, and salt solutions have a negligible effect during the sensing process.

A group of new nitro substituted benzoxazinones ( 3a-k ) were synthesized from easily available 4-nitroanthranilic acid. All the synthesized compounds were characterized by FT-IR, 1 H NMR, 13 C NMR, mass spectrometry and elemental analysis. Anti-proliferative and pro-apoptotic potential of all the synthesized compounds ( 3a-k ) was evaluated by MTT and Hoechst 33258 staining assay respectively whereas their antioxidant properties were determined via DPPH free radical scavenging assay. The most active compounds ( 3a , 3c and 3k ) showed significant cytotoxic potential against HeLa cells with an inhibition of cell viability that ranged between 28.54 and 44.67% ( P  < 0.001). Albeit statistically different, the anti-proliferative effect of 3c was in close match with that of the reference drug doxorubicin. Likewise, the test compounds showed profound pro-apoptotic potential with an apoptotic index that ranged between 52.86 and 75.61%. Besides, the docking studies revealed a higher efficiency for compounds ( 3a and 3h ) owing to their better affinity and inhibition constant (K i  = 4.397 and 3.713 nmol) respectively. The antioxidant potential of synthesized benzoxazinones ( 3a-k ) was in close agreement with the experimental anticancer results with a percent inhibition from 34.45 to 85.93% as compared to standard (90.56%)., Competing Interests: No conflict of interest is associated with this work. The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (© 2020 Elsevier B.V. All rights reserved.)

Over expression of thymidine phosphorylase (TP) in various human tumors compared to normal healthy tissue is associated with progression of cancer and proliferation. The 2-deoxy-d-ribose is the final product of thymidine phosphorylase (TP) catalyzed reaction. Both TP and 2-deoxy-d-ribose are known to promote unwanted angiogenesis in cancerous cells. Discovery of potent inhibitors of thymidine phosphorylase (TP) can offer appropriate approach in cancer treatment. A series of ciprofloxacin 2, 3a-3c, 4a-4d, 5a-5b, 6 and 7 has been synthesized and characterized using spectroscopic techniques. Afterwards, inhibitory potential of synthesized ciprofloxacin 2, 3a-3c, 4a-4d, 5a-5b, 6 and 7 against thymidine phosphorylase enzyme was assessed. Out of these twelve analogs of ciprofloxacin nine analogues 3a-3c, 4a-4c, 5a-5b and 6 showed good inhibitory activity against thymidine phosphorylase. Inhibitory activity as presented by their IC 50 values was found in the range of 39.71 ± 1.13 to 161.89 ± 0.95 μM. The 7-deazaxanthine was used as a standard inhibitor with IC 50  = 37.82 ± 0.93 μM. Furthermore, the chick chorionic allantoic membrane (CAM) assay was used to investigate anti-angiogenic activity of the most active ciprofloxacin-based inhibitor 3b. To enlighten the important binding interactions of ciprofloxacin derivatives with target enzyme, the structure activity relationship and molecular docking studies of chosen ciprofloxacin analogues was discussed. Docking studies revealed key π-π stacking, π-cation and hydrogen bonding interactions of ciprofloxacin analogues with active site residues of thymidine phosphorylase enzyme., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2020 Elsevier Inc. All rights reserved.)

The favorability of ring closure reactions as per Baldwin rules has gained immense importance recently. This is evident from the current literature such as research articles, reviews, and books that have been published in this area. This review covers the recent applications of 5-endo-dig cyclization in organic synthesis focusing in the last two decades. A variety of 5-membered heterocycles as well as carbocycles could be synthesized via 5-endo-dig cyclization reactions. The important applications of 5-endo-dig cyclization in organic synthesis covering different aspects have been summarized in this review.

A simple and efficient fluorometric sensing method is developed for the rapid detection of nitroaromatic explosives, based on the quenching of monomer and excimer emission of benzo[ghi]perylene and coronene. The ratiometric method (I E /I M ) offers a linear response as a function of the concentration of picric acid (PA, i.e. 2,4,6-trinitrophenol), which is used as a model example of the nitroaromatic compounds (NOCs). The detection range is observed to be 0.1-120 μM of PA (22.9 ppb-27.5 ppm). The bright emission of the stable probe excimer and monomer can be easily distinguished under UV lamp from the quenched solution with nitro-aromatic molecules that enables naked-eye detection of nitro-aromatic explosives. The fluorescent paper strips prepared by embedding the probes on the surface of the paper are used for fast, portable and selective detection of NOCs. Our optimized methods can easily detect and quantify NOCs down to 0.1 μM. The sensing process is free of commonly encountered interferences such as volatile organic compounds (VOCs), acids, bases, oxygen, and salt solutions., (Copyright © 2019 Elsevier B.V. All rights reserved.)

99m Tc-ciprofloxacin scintigraphy is useful in the detection of gram-positive and gram-negative bacterial infections and also for differentiating the infection from aseptic inflammation. However, due to growing bacterial resistance to antibiotics, the 99m Tc-ciprofloxacin no longer can be effective in broad-spectrum infection imaging as it is gradually losing specificity. In this study, we are presenting our findings regarding the in vitro and in vivo susceptibility of 99m Tc-ciprofloxacin for multi-drug-resistant Staphylococcus aurous, Escherichia coli, and Pseudomonas aeruginosa bacterial strains which were isolated from clinical samples. The results of radiosynthesis of 99m Tc-ciprofloxacin showed more the 95% radiochemical purity and less than 5% radioactive impurities. In vitro 99m Tc-ciprofloxacin susceptibility test showed that E. coli offered more resistant to 99m Tc-ciprofloxacin as compared to S. aurous and P. aeruginosa. In vivo study using bacterial infection induced rabbit model also revealed lowest uptake by E. coli lesion. The T/NT values were obtained 1.96 ± 0.15 in the case of E. coli; 2.81 ± 0.51 in the case of S. aurous; and 2.32 ± 0.66 in the case of P. aeruginosa at 4 h post-injection. The SPECT infection imaging of S. aurous, E. coli, and P. aeruginosa bacterial infection induced rabbit models also indicated the clear accumulation in S. aurous and P. aeruginosa lesions while negligible uptake by E. coli lesion further verify the in vitro and in vivo susceptibility profile. On the bases of the results obtained, the 99m Tc-ciprofloxacin showed selective and poor broad spectrum SPECT infection imaging.

Proteases, as one of the most significant kind of digestive enzymes, are closely related to a variety of physiological processes and diseases. Herein, a black phosphorus nanosheets (BPs) based sensitive fluorometric method for protease detection and inhibitor screening is proposed. The aqueous solution of perylene probe (probe 1) displays a strong fluorescence. BPs, as novel discovered two-dimensional (2D) materials, can adsorb probe 1 through electrostatic interactions, which causes fluorescence quenching of probe 1. Histone can control the interactions between the perylene probe and BPs, which can be further regulated by the introduction of a protease. Thus, the protease activity can be monitored by detecting the fluorescence intensity changes of probe 1. The method is label free, sensitive and selective. As low as 1 ng/mL trypsin can be easily detected., (Copyright © 2019 Elsevier B.V. All rights reserved.)

Thymidine phosphorylase (TP) is over expressed in several solid tumors and its inhibition can offer unique target suitable for drug discovery in cancer. A series of 1,2,4-triazoles 3a-3l has been synthesized in good yields and subsequently inhibitory potential of synthesized triazoles 3a-3l against thymidine phosphorylase enzyme was evaluated. Out of these twelve analogs five analogues 3b, 3c, 3f, 3l and 3l exhibited a good inhibitory potential against thymidine phosphorylase. Inhibitory potential in term of IC 50 values were found in the range of 61.98 ± 0.43 to 273.43 ± 0.96 μM and 7-Deazaxanthine was taken as a standard inhibitor with IC 50  = 38.68 ± 4.42 μM. Encouraged by these results, more analogues 1,2,4-triazole-3-mercaptocarboxylic acids 4a-4g were synthesized and their inhibitory potential against thymidine phosphorylase was evaluated. In this series, six analogues 4b-4g exhibited a good inhibitory potential in the range of 43.86 ± 1.11-163.43 ± 2.03 μM. Angiogenic response of 1,2,4-triazole acid 4d was estimated using the chick chorionic allantoic membrane (CAM) assay. In the light of these findings, structure activity relationship and molecular docking studies of selected triazoles to determine the key binding interactions was discussed. Docking studies demonstrate that synthesized analogues interacted with active site residues of thymidine phosphorylase enzyme through π-π stacking, thiolate and hydrogen bonding interactions., (Copyright © 2019 Elsevier Inc. All rights reserved.)

In this work, we report a novel sensor for colorimetric and fluorometric H 2 O 2 sensing which is based on silver nanoparticles decorated and tetraphenylethene probe doped silica nanoparticles (Ag@TPE-SiO 2 NPs). A positively charged tetraphenylethene (TPE) probe is doped into silica nanoparticles, and the nanoparticles exhibit strong fluorescence emission due to aggregation-induced emission (AIE) of the TPE probe. Ag nanoparticles (AgNPs) are prepared in situ on the surface of the silica nanoparticles. AgNPs serve as a nanoquencher which can quench the AIE emission of the TPE-SiO 2 NPs efficiently. However, AgNPs can be oxidized to Ag + by H 2 O 2 , which leads to fluorescence recovery and color fading of the Ag@TPE-SiO 2 NPs. The dual-readout strategy allows sensitive analysis of H 2 O 2 . The detection limit of the fluorometric and colorimetric assay is 0.28 and 2.1 μM, respectively. And the nanosensor also shows good selectivity. In addition, analysis of H 2 O 2 in human serum and intracellular imaging of H 2 O 2 are both demonstrated. With the good analytical properties of merit, the proposed nanoprobe has a promising potential for H 2 O 2 related bioanalysis and biomedical applications., (Copyright © 2018 Elsevier B.V. All rights reserved.)

We report benzo[ghi]perylene (BzP) and coronene (Cron) as multimode fluorescent probes for accurate monitoring and direct visualization of monomer-micelle transitions in surfactants for the first time. The probe molecules formed self-assembled nanoparticles in an aqueous solution and displayed strong aggregation-enhanced excimer emission (AEEE). During the process of surfactant monomer-micelle transition, the probe nanoparticles dissolved, and the observation of excimer-monomer emission transition clearly indicated the formation of micelles. The ratiometric changes in excimer-monomer emission (I E /I M ) were used for the precise determination of critical micelle concentration (CMC) of various surfactants. The monomer-micelle transition process was directly observed under a UV lamp, and the visual determination of CMC became possible. The CMC value determination using the excimer/monomer ratio (I E /I M ), UV-vis, lifetime and visual assessment clearly suggests that BzP and Cron are excellent multimode probes for monitoring the micelle structural transitions of amphiphiles.

Silver nanoparticles (Ag NPs) enhanced perylene probe excimer emission is reported for the first time. It was observed that strong interactions between the perylene probe and the Ag NPs induced co-aggregation. As a result, a new in situ generated plasmonic absportion band of the Ag NPs at longer wavelength emerged. The monomer emission of the perylene probe was efficiently quenched, and dramatically enhanced probe excimer emission was observed. A remarkable emission enhancement of over 1000 fold was obtained compared to anionic polymers and other nanoparticles. The excimer emission intensity could be finely modulated by the size of the Ag NPs and the functionalities of the perylene probe. The observed Ag NPs enhanced perylene probe excimer emission shows good potential for the development of novel sensing techniques for various bioanalytical applications., (Copyright © 2018 Elsevier B.V. All rights reserved.)

A novel and efficient approach has been established for the synthesis of silver nanoclusters capped silica nanoparticles (SiO 2 @AgNCs). These nanoclusters (AgNCs) capped silica nanoparticles were utilized as a novel ratiometric photoluminescence (PL) nanosensor for extremely sensitive and selective detection of I - and S 2- ions. The AgNCs were prepared in situ on the silica nanoparticles through polyethyleneimine (PEI) template approach. While dual PL emissions of AgNCs (at 500 nm) and luminescent silica nanoparticles (at 602 nm) formed the basis for the ratiometric sensing. The PL emission of AgNCs was strongly quenched by I - (or S 2- ), while that of luminescent silica nanoparticles was hardly affected. The PL emission intensity ratio of AgNCs and the luminescent silica nanoparticles was defined as I 500 /I 602 . A good linear relationship between the I 500 /I 602 value and the concentration of I - (or S 2- ) was observed, and the limit of detection (LOD) was estimated to be 57 nM for I - and 62 nM for S 2- . In addition, the fluorescence images of the SiO 2 @AgNCs nanosensor changed from white to orange upon exposure to different concentrations of I - (or S 2- ) (0-250 μM), which could be clearly distinguished by the naked eye. The SiO 2 @AgNCs nanosensor exhibited good selectivity against other analytes, and I - or S 2- ions could be separately detected via the introduction of proper masking agents. Furthermore, the detection of I - and S 2- in real water samples was also demonstrated., (Copyright © 2017 Elsevier B.V. All rights reserved.)

A fluorescence turn-on assay for alkaline phosphatase (ALP) activity is developed through the controlled release of polyethyleneimine-capped copper nanoclusters (PEI-capped CuNCs) from the MnO 2 nanosheets. In an aqueous solution, the positively charged PEI-capped CuNCs could be adsorbed onto the surface of the negatively charged MnO 2 nanosheets. Such adsorption through favorable electrostatic interactions could efficiently quench the nanocluster fluorescence emission via resonance energy transfer from the PEI-capped CuNCs to the MnO 2 nanosheets. 2-Phospho-L-ascorbic acid (AAP) could be hydrolyzed to L-ascorbic acid (AA) in the presence of ALP. AA could reduce MnO 2 into Mn 2+ and trigger the disintegration of the MnO 2 nanosheets. As a result, the CuNCs were released and the quenched fluorescence was recovered efficiently. The detection strategy is simple, inexpensive, sensitive, selective, with low toxicity, and has better biocompatibility. The newly fabricated biosensor for ALP activity will potentially make it a robust candidate for numerous biological and biomedical applications.

Natural resources right from the beginning of the human civilization has paved the way to human being to combat different challenges. The big challenge was to safe the human being from diseases and shortage of food. Plants helped the man in both areas very efficiently. No doubt when plants are used as food actually we are also taking lot of compounds of medicinal values in an excellent combination which naturally reduce the risk of diseases. Extraction and purification of several medicinally important compounds also gave the way to develop pharmaceutical industry in addition to its own therapeutic effects against different lethal diseases. Pumpkin is one of the several medicinal important vegetables used in different way on the behalf of its admirable power to combat different diseases. Antioxidant and biological studies showed very important results. A good coherence was found among extraction yield (10.52 to 18.45%), total phenolics (1.13 to 6.78 mg GAE/100g), total flavonoids (0.23 to 0.72mg CE/100g) and antioxidant potential (≻70%). Antibacterial assays of peel and puree extracts advocated good potential to stop the growth and division of pathogenic bacteria. Further biological activity study was carried out using MDBK cancer cell line. The growth inhibitory effect on cancer cell line using MTT assay showed methanol extracts of peel and puree both remained efficient to inhibit growth (≻35%) and cell division of cancer cells. Our results showed that extracts of pumpkin puree and its waste, peel, may be utilize to prepare functional food against pathogenic born diseases and most active compounds may also be extracted, concentrated and converted into tablets or suspension form for therapeutic purposes.

Based on the controlled aggregation of quantum dots (QDs), a valid, reliable, and label-free fluorescence turn-on strategy is established for the detection of alkaline phosphatase activity. The aqueous solution of anionic QDs exhibits intense fluorescence. However, the addition of cationic polymer (poly-1) significantly quenched the fluorescence of the QDs via their induced aggregation. While short 3'-phosphorylated DNA (DNA-P) could not be extended by terminal deoxynucleotidyl transferase (TdT) and therefore, fluorescence of the QDs was recovered negligibly. The effective elimination of phosphate group of DNA-P in the presence of alkaline phosphatase (ALP) produced 3'-OH termini and the resulting DNA could be sufficiently extended by TdT. The presence of greater binding strength between the elongated DNA and poly-1 is very crucial to compete with the poly-1/QDs aggregates and release the QDs. Turned-on fluorescence emission is observed due to the efficient release of the QDs. A novel strategy for alkaline phosphatase detection is therefore established. Our method is quite sensitive and selective, as low as 0.1 mU/mL ALP can be easily detected., (Copyright © 2017 Elsevier B.V. All rights reserved.)

Our aim was to develop a biocompatible hydrogel that could be soaked in heparin and placed on wound beds to improve the vasculature of poorly vascularized wound beds. In the current study, a methodology was developed for the synthesis of a new chitosan derivative (CSD-1). Hydrogels were synthesized by blending CSD-1 for either 4 or 24h with polyvinyl alcohol (PVA). The physical/chemical interactions and the presence of specific functional groups were confirmed by Fourier transform infrared (FT-IR) spectroscopy and proton nuclear magnetic resonance ( 1 H NMR). The porous nature of the hydrogels was confirmed by scanning electron microscopy (SEM). Thermal gravimetric analysis (TGA) showed that these hydrogels have good thermal stability which was slightly increased as the blending time was increased. Hydrogels produced with 24h of blending supported cell attachment more and could be loaded with heparin to induce new blood vessel formation in a chick chorionic allantoic membrane assay., (Copyright © 2016 Elsevier B.V. All rights reserved.)

Compounds belonging to the stilbene family have gained remarkable significance in pharmaceutical as well as material chemistry. The current review covers the various synthetic approaches for the syntheses of stilbene scaffold and related structures over last 30 years. In addition, this review also highlights the role of stilbene intermediates used in the synthesis of important molecules with diverse applications in the field of pharmaceutics and material science.

A cancer cell specific aptamer was labeled with an aggregation-induced emission (AIE) probe for the first time. Using it as a light-up bioprobe, a specific cancer cell detection method is developed.

An efficient atom-economic one-pot synthesis of highly functionalized piperidines was achieved by catalytic multicomponent reaction. A wide range of heterogeneous and homogenous catalysts were explored; however, promising results were achieved when a β-keto-ester was reacted with selected aromatic aldehydes and anilines by using N-acetyl glycine (NAG) as catalyst. The implication of this methodology is straightforward since the products were precipitated out from the reaction solution, eliminating the need of column chromatography purifications. The synthesized piperidines were screened against α-glucosidase inhibition, which revealed that these compounds were very active inhibitors, and some of the compounds showed even better inhibition than the reference compound, at low micromolar concentrations. In silico molecular modeling was also performed to investigate the binding modes of the compounds into the active sites of the target protein., (© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)

A fluorescence turn-on assay was established for ALP (alkaline phosphatase) based on Cu(2+) catalyzed Fenton-like reaction and Graphene Oxide (GO). GO was utilized to quench the fluorescence of fluorescein (FAM) labeled single strand DNA (F-DNA). ALP can remove the phosphate group in sodium ascorbyl phosphate (SAP), and convert it into reducing ascorbate. Highly reactive hydroxyl radicals (·OH) were generated in the presence of ascorbate and Cu(2+) through the Fenton-like reaction. The reactive radicals generated in situ caused the cleavage of F-DNA into small fragments. When GO was added, the fluorescence emission of the sample without ALP was quenched and fluorescence emission recovered in the presence of ALP. The intensity of the recovered fluorescence was directly related to the concentration of ALP in the assay solution, and a sensitive and selective facile ALP assay is therefore established., (Copyright © 2016 Elsevier B.V. All rights reserved.)

Fluorescence spectroscopy is widely used in basic research, disease diagnosis, environmental monitoring, and the development of novel bioanalytical techniques. We mainly focus on the changes in fluorescence signal originated from the controlled self-assembly of small molecule probes, including aggregation caused quenching, aggregation induced emission, controlled turn-on of probe monomer emission, and the tunable monomer-excimer transition. Recent developments in the related bioanalytical techniques have been reviewed., (Copyright © 2015 Elsevier B.V. All rights reserved.)

Background: Carica papaya is a well known medicinal plant used in the West and Asian countries to cope several diseases. Patients were advised to eat papaya fruit frequently during dengue fever epidemic in Pakistan by physicians. This study was conducted to establish Polyphenols, flavonoids and antioxidant potential profile of extracts of all major parts of the C. papaya with seven major solvents i.e. water, ethanol, methanol, n-butanol, dichloromethane, ethyl acetate, and n-hexane., Results: TPC, TFC, antioxidant and antibacterial potential were determined using different aqueous and organic solvents in addition to the determination of trace element in leaves, pulp and peel of C. papaya. Total soluble phenolics and flavonoids were found in promising quantity (≈66 mg GAE/g) especially in case of methanol and ethanol extracts. Antioxidant activity using DPPH free radical scavenging assay indicated leaves, bark, roots and pulp extracts showed >75.0 % scavenging potential while leaves and pulp showed 84.9 and 80.9 % inhibition of peroxidation, respectively. Reducing power assay showed leaves, pulp and roots extracts active to reduce Fe(3+) to Fe(2+) ions. The antibacterial study showed pulp extract is the best to cope infectious action of bacteria., Conclusion: This study was conducted to test the medicinal profile of all parts of C. papaya by extracting secondary metabolites with organic and aqueous solvents. Ethanol and methanol both were found to be the best solvents of choice to extract natural products to get maximum medicinal benefits and could be used to medicinal formulation against different infectious diseases.Graphical abstractMedicinal evaluation of different parts of C. papaya.

A novel fluorescence turn-on strategy based on Au nanoparticles and a perylene probe for the sensing of Hg(2+) ions has been developed. It was observed that a perylene probe could be adsorbed onto the surface of Au NPs through strong electrostatic and hydrophobic interactions. Its fluorescence was efficiently quenched by the Au nanoparticles. However, in the presence of Hg(2+) and NaBH4, Hg(2+) was reduced and an Au/Hg amalgam was formed on the surface of the Au nanoparticles. The perylene probe could hardly be adsorbed and quenched by the Au/Hg amalgam. A turn on fluorescence signal was therefore detected. The assay is quite sensitive, and 5 nM Hg(2+) could be easily detected. It is also very selective, a number of metal ions were tested and no noticeable interference was observed. The assay was also successfully applied for the determination of Hg(2+) in lake water samples. A simple, fast, inexpensive, highly sensitive and selective Hg(2+) sensing strategy is therefore established.