Cu/Cu2O/C nanoparticles and MXene based composite for non-enzymatic glucose sensors.

Copper/Cuprous oxide/Carbon nanoparticles decorated MXene composite was prepared and subsequently examined for its potential application as a non-enzymatic glucose sensor. To carry out this, initially the Cu MOF/MXene composite was synthesised by the hydrothermal method and was annealed in an unreacted environment at different time intervals. During this process, petal like Cu MOF on MXene loses the organic ligands to form a Cu/Cu2O/C based nanoparticles on MXene. Further, an electrode was fabricated with the developed material for understanding the sensing performance by cyclic voltammetry and chronoamperometry in 0.1 M NaOH solution. Results reveal that the highest weight percentage of copper oxide in the composite (15 min of annealed material) shows a higher electro catalytic activity for sensing glucose molecules due to more active sites with good electron transfer ability in the composite. The formed composite exhibits a wide linear range of 0.001-26.5 mM, with a sensitivity of 762.53µAmM-1cm-2(0.001-10.1 mM), and 397.18µAmM-1cm-2(11.2-26.9 mM) and the limit of detection was 0.103µM. In addition to this, the prepared electrode shows a good reusability, repeatability, selectivity with other interferences, stability (93.65% after 30 days of storage), and feasibility of measuring glucose in real samples. This finding reveals that the metal oxide derived from MOF based nanoparticle on the MXene surface will promote the use of non-enzymatic glucose sensors.

Experimental and computational DFT, drift-diffusion studies of cobalt-based hybrid perovskite crystals as absorbers in perovskite solar cells.

The optimised designs of dimethyl ammonium cobalt formate-based perovskite crystals [(CH3)2NH2]Co(HCOO)3 were experimentally synthesized and computationally utilized as absorbers for perovskite solar cells (PSCs). Crystals were grown using solvothermal synthesis. Additive materials (Fe, Ni) are responsible for the growth and suppression of crystals in the micrometre range. Temperature and pressure were altered to obtain optimum growth conditions. Grown crystals were characterized by spectroscopy (XRD, FT-IR, UV-Vis) and optical microscopy. Combined density functional theory (DFT) and drift-diffusion modelling frameworks were simulated. These simulators were used to examine various perovskite absorbers for solar-cell configurations. Field calculations were used to examine the structural stability, band structure, and electronic contribution of the constituent elements in [(CH3)2NH2]Co1-nMn(HCOO)3 (M = Fe, Ni and n = 0, 0.1) as absorber material. Conventional TiO2 and spiro-OMeTAD were used as the electron-transport layer and hole-transport layer, respectively, and Pt was used as a back contact. Comprehensive analysis of the effects of several parameters (layer thickness, series and shunt resistances, temperature, generation-recombination rates, current-voltage density, quantum efficiency) was carried out using simulation. Our proposed strategy may pave the way for further design of new absorber materials for PSCs.

Biowaste to bioenergy nexus: Fostering sustainability and circular economy.

Existing fossil-based commercial products present a significant threat to the depletion of global natural resources and the conservation of the natural environment. Also, the ongoing generation of waste is giving rise to challenges in waste management. Conventional practices for the management of waste, for instance, incineration and landfilling, emit gases that contribute to global warming. Additionally, the need for energy is escalating rapidly due to the growing populace and industrialization. To address this escalating desire in a sustainable manner, access to clean and renewable sources of energy is imperative for long-term development of mankind. These interrelated challenges can be effectively tackled through the scientific application of biowaste-to-bioenergy technologies. The current article states an overview of the strategies and current status of these technologies, including anaerobic digestion, transesterification, photobiological hydrogen production, and alcoholic fermentation which are utilized to convert diverse biowastes such as agricultural and forest residues, animal waste, and municipal waste into bioenergy forms like bioelectricity, biodiesel, bio alcohol, and biogas. The successful implementation of these technologies requires the collaborative efforts of government, stakeholders, researchers, and scientists to enhance their practicability and widespread adoption.

Recent Advances of carbon Pathways for Sustainable Environment development.

Carbon dots (CDs) are an emerging type of carbon nanomaterial with strong biocompatibility, distinct chemical and physical properties, and low toxicity. CDs may emit fluorescence in the ultraviolet (UV) to near-infrared (NIR) range, which renders them beneficial for biomedical applications. CDs are usually made from carbon precursors and can be synthesized using top-down and bottom-up methods and it can be easily functionalized using different methods. For specific cases of biomedical applications carbon dot functionalization augments the materials' characteristics. Novel functionalization techniques are still being investigated. This review will look at the benefits of functionalization to attain a high yield and various biological applications. Biomedical applications such as photodynamic and photothermal therapy, biosensing, bioimaging, and antiviral and antibacterial properties will be covered in this review. The future applications of green synthesized carbon dots will be determined in part by this review.

Development of a microcantilever-based biosensor for detecting Programmed Death Ligand 1.

The ongoing global concern of cancer worldwide necessitates the development of advanced diagnostic and therapeutic strategies. The majority of recent detection strategies involve the employment of biomarkers. A critical biomarker for cancer immunotherapy efficacy and patient prognosis is Programmed Death Ligand 1 (PD-L1), which is a key immune checkpoint protein. PD-L1 can be particularly linked to cancer progression and therapy response. Current detection methods, such as enzyme-linked immunosorbent assay (ELISA), face limitations like high cost, time consumption, and complexity. This study introduces a microcantilever-based biosensor designed for the detection of soluble PD-L1 (sPD-L1), which has a specific association with PD-L1. The biosensor utilizes anti-PD-L1 as the sensing layer, capitalizing on the specific binding affinity between anti-PD-L1 and sPD-L1. The presence of the sensing layer was confirmed through Atomic Force Microscopy (AFM) and contact angle measurements. Binding between sPD-L1 and anti-PD-L1 induces a shift in the microcantilever's resonance frequency, which is proportional to the PD-L1 concentration. Notably, the resonance frequency shift demonstrates a robust linear relationship with the increasing biomarker concentration, ranging from 0.05 ng/ml to 500 ng/ml. The detection limit of the biosensor was determined to be approximately 10 pg/ml. The biosensor demonstrates excellent performance in detecting PD-L1 with high specificity even in complex biological matrices. This innovative approach not only provides a promising tool for early cancer diagnosis but also holds potential for monitoring immunotherapy efficacy, paving the way for personalized and effective cancer treatments.

Comparison of Performance between Single- and Multiparameter Luminescence Thermometry Methods Based on the Mn5+ Near-Infrared Emission.

Herein, we investigate the performance of single- and multiparametric luminescence thermometry founded on the temperature-dependent spectral features of Ca6BaP4O17:Mn5+ near-infrared emission. The material was prepared by a conventional steady-state synthesis, and its photoluminescence emission was measured from 7500 to 10,000 cm-1 over the 293-373 K temperature range in 5 K increments. The spectra are composed of the emissions from 1E → 3A2 and 3T2 → 3A2 electronic transitions and Stokes and anti-Stokes vibronic sidebands at 320 cm-1 and 800 cm-1 from the maximum of 1E → 3A2 emission. Upon temperature increase, the 3T2 and Stokes bands gained in intensity while the maximum of 1E emission band is redshifted. We introduced the procedure for the linearization and feature scaling of input variables for linear multiparametric regression. Then, we experimentally determined accuracies and precisions of the luminescence thermometry based on luminescence intensity ratios between emissions from the 1E and 3T2 states, between Stokes and anti-Stokes emission sidebands, and at the 1E energy maximum. The multiparametric luminescence thermometry involving the same spectral features showed similar performance, comparable to the best single-parameter thermometry.

Detection of Aromatic Hydrocarbons in Aqueous Solutions Using Quartz Tuning Fork Sensors Modified with Calix[4]arene Methoxy Ester Self-Assembled Monolayers: Experimental and Density Functional Theory Study.

Quartz tuning forks (QTFs), which were coated with gold and with self-assembled monolayers (SAM) of a lower-rim functionalized calix[4]arene methoxy ester (CME), were used for the detection of benzene, toluene, and ethylbenzene in water samples. The QTF device was tested by measuring the respective frequency shifts obtained using small (100 µL) samples of aqueous benzene, toluene, and ethylbenzene at four different concentrations (10-12, 10-10, 10-8, and 10-6 M). The QTFs had lower limits of detection for all three aromatic hydrocarbons in the 10-14 M range, with the highest resonance frequency shifts (±5%) being shown for the corresponding 10-6 M solutions in the following order: benzene (199 Hz) > toluene (191 Hz) > ethylbenzene (149 Hz). The frequency shifts measured with the QTFs relative to that in deionized water were inversely proportional to the concentration/mass of the analytes. Insights into the effects of the alkyl groups of the aromatic hydrocarbons on the electronic interaction energies for their hypothetical 1:1 supramolecular host-guest binding with the CME sensing layer were obtained through density functional theory (DFT) calculations of the electronic interaction energies (ΔIEs) using B3LYP-D3/GenECP with a mixed basis set: LANL2DZ and 6-311++g(d,p), CAM-B3LYP/LANL2DZ, and PBE/LANL2DZ. The magnitudes of the ΔIEs were in the following order: [Au4-CME⊃[benzene] > [Au4-CME]⊃[toluene] > [Au4-CME]⊃[ethylbenzene]. The gas-phase BSSE-uncorrected ΔIE values for these complexes were higher, with values of -96.86, -87.80, and -79.33 kJ mol-1, respectively, and -86.39, -77.23, and -67.63 kJ mol-1, respectively, for the corresponding BSSE-corrected values using B3LYP-D3/GenECP with LANL2dZ and 6-311++g(d,p). The computational findings strongly support the experimental results, revealing the same trend in the ΔIEs for the proposed hypothetical binding modes between the tested analytes with the CME SAMs on the Au-QTF sensing surfaces.

Constructing a Visible-Active CoFe2O4@Bi2O3/NiO Nanoheterojunction as Magnetically Recoverable Photocatalyst with Boosted Ofloxacin Degradation Efficiency.

Constructing visible-light-active Z-scheme heterojunctions has proven fruitful in enhancing the photocatalytic activity of photocatalysts for superior water clean-up. Herein, we report the fabrication of a CoFe2O4@Bi2O3/NiO (CBN) Z-scheme nanoheterojunction. The obtained CBN heterojunction was used for visible-light-assisted degradation of ofloxacin (OFL) in water. The OFL degradation efficiency achieved by the CBN heterojunction was 95.2% in 90 min with a rate constant of kapp = 0.03316 min-1, which was about eight times that of NiO and thirty times that of CoFe2O4. The photocatalytic activity of a Bi2O3/NiO Z-scheme heterojunction was greatly enhanced by the visible activity and redox mediator effect of the cobalt ferrite co-catalyst. Higher charge-carrier separation, more visible-light capture, and the Z-scheme mechanism in the Z-scheme system were the important reasons for the high performance of CBN. The scavenging experiments suggested ●O2- as an active species for superior OFL degradation. The possible OFL degradation pathway was predicted based on LC-MS findings of degradation intermediate products. The magnetic nature of the CBN helped in the recovery of the catalyst after reuse for six cycles. This work provides new insights into designing oxide-based heterojunctions with high visible-light activity, magnetic character, and high redox capabilities for potential practical applications in environmental treatment.

Rapid and Sensitive Detection of Severe Acute Respiratory Syndrome Coronavirus 2 in Label-Free Manner Using Micromechanical Sensors.

Coronavirus (COVID-19), caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has been identified as a deadly pandemic. The genomic analysis of SARS-CoV-2 is performed using a reverse transcription-polymerase chain reaction (RT-PCR) technique for identifying viral ribonucleic acid (RNA) in infected patients. However, the RT-PCR diagnostic technique is manually laborious and expensive; therefore, it is not readily accessible in every laboratory. Methodological simplification is crucial to combat the ongoing pandemic by introducing quick, efficient, and affordable diagnostic methods. Here, we report how microcantilever sensors offer promising opportunities for rapid COVID-19 detection. Our first attempt was to capture the single-stranded complementary DNA of SARS-CoV-2 through DNA hybridization. Therefore, the microcantilever surface was immobilized with an oligonucleotide probe and detected using complementary target DNA hybridization by a shift in microcantilever resonance frequency. Our results show that microcantilever sensors can discriminate between complementary and noncomplementary target DNA on a micro to nanoscale. Additionally, the microcantilever sensors' aptitude toward partial complementary DNA determines their potential to identify new variants of coronavirus. Therefore, microcantilever sensing could be a vital tool in the effort to extinguish the spreading COVID-19 pandemic.

Efficient cationic dye removal from water through Arachis hypogaea skin-derived carbon nanospheres: a rapid and sustainable approach.

The present study investigates the potential of Arachis hypogaea skin-derived carbon nanospheres (CNSs) as an efficient adsorbent for the rapid removal of cationic dyes from aqueous solutions. The CNSs were synthesized through a facile, cost-effective, catalyst-free and environmentally friendly process, utilizing Arachis hypogaea skin waste as a precursor. This is the first reported study on the synthesis of mesoporous carbon nanospheres from Arachis hypogaea skin. The structural and morphological characteristics of the CNSs were confirmed by different nano-characterization techniques. The adsorption performance of the carbon nanospheres was evaluated through batch adsorption experiments using two cationic dyes-methylene blue (MB) and malachite green (MG). The effects of the initial dye concentration, contact time, adsorbent dosage, and pH were investigated to determine the optimal conditions for dye removal. The results revealed that the obtained CNSs exhibited remarkable adsorption capacity and rapid adsorption kinetics. Up to ∼98% removal efficiency was noted for both dyes in as little as 2 min for a 5 mg L-1 dye concentration, and the CNSs maintained their structural morphology even after adsorption. The adsorption data were fitted to various kinetic and isotherm models to gain insights into the adsorption mechanism and behaviour. The pseudo-second-order kinetic model and Redlich-Peterson model best described the experimental data, indicating multi-layer adsorption and chemisorption as the predominant adsorption mechanism. The maximum adsorption capacity was determined to be 1128.46 mg g-1 for MB and 387.6 mg g-1 for MG, highlighting the high affinity of the carbon nanospheres towards cationic dyes. Moreover, CNS reusability and stability were examined through desorption and regeneration experiments, which revealed sustained efficiency over 7 cycles. CNSs were immobilised in a membrane matrix and examined for adsorption, which demonstrated acceptable efficiency values and opened the door for further improvement.

Investigation and development of photocathodes using polyaniline Encapsulated Ti3C2Tx MXene nanosheets for dye-sensitized solar cells.

In the current study, polyaniline (PANI) modified two-dimensional Ti3C2Tx MXene composites (PANI-Ti3C2Tx) are exploited as photocathodes in dye-sensitized solar cells (DSSCs). The study revealed that incorporating PANI into Ti3C2Tx improved the material's electrochemical properties, owing to the presence of amino groups in PANI that enhanced the material's electrical conductivity and thereby facilitated more rapid ion transport. In addition, PANI enhanced the surface wettability of Ti3C2Tx, resulting in an increase in the number of electroactive sites. The presence of PANI molecules in the interlayer and on the surface of Ti3C2Tx was confirmed through X-ray diffraction (XRD), scanning electron microscopy coupled with energy dispersive X-ray spectroscopy (SEM-EDX), and X-ray photoelectron spectroscopy (XPS). Subsequently, electrochemical analysis of the PANI-Ti3C2Tx photocathode or counter electrode (CE) revealed a commendable electrocatalytic activity with the iodide/triiodide electrolyte, a favourable charge transfer kinetics, and a charge transfer resistance as low as platinum. Additionally, at AM 1.5G, the performance of the DSSC constructed using the thermally decomposed Pt-CE was 8.3% when subjected to simulated 1 sun light, whereas the efficiency of the DSSC constructed using the as-prepared composite material was 6.9% under corresponding conditions. PANI-Ti3C2Tx as the photocathode (CE) in a DSSC showed a higher power conversion efficiency (PCE) improvement than PANI CE and Ti3C2Tx CE DSSCs, emphasizing its potent catalytic activity and quick mass transport of electron capability. By capitalizing on the conductivity and electrocatalytic property of the two components, the as-fabricated PANI-Ti3C2Tx photocathode significantly increased the overall PCE of DSSCs. Furthermore, the DSSC utilizing the PANI-Ti3C2Tx CE demonstrated exceptional reproducibility and stability. This underscores its consistently high performance and significant resistance to corrosion in the iodide/triiodide redox electrolyte environment. Overall, these findings show that the PANI-Ti3C2Tx composite has the potential to be a competitive alternative to platinum-based CE materials for the development of DSSCs with exceptional performance.

An FBG-based optical pressure sensor for the measurement of radial artery pulse pressure.

One of the diagnostic tool for clinical evaluation and disease diagnosis is a pulse waveform analysis. High fidelity radial artery pulse waveforms have been investigated in clinical research to compute central aortic pressure, which has been demonstrated to be predictive of cardiovascular diseases. The radial artery must be inspected from several angles in order to obtain the best pulse waveform for estimate and diagnosis. In this study, we present the design and experimental testing of an optical sensor based on Fiber Bragg Gratings (FBG). A 3D printed device along with the FBG is used to measure the radial artery pulses. The proposed sensor is used for the purpose of quantifying the radial artery pulse waveform across major pulse position point. The suggested optical sensing system can measure the pulse signal with good accuracy. The main characteristic parameters of the pulse can then be retrieved from the processed signal for their use in clinical applications. By conducting experiments under the direction of medical experts, the pulse signals are measured. In order to experimentally validate the sensor, we used it to detect the pulse waveforms at Guan position of the wrist's radial artery in accordance with the diagnostic standards. The findings show that combining optical technologies for physiological monitoring and radial artery pulse waveform monitoring using FBG in clinical applications are highly feasible.

Pt-N catalytic centres concisely enhance interfacial charge transfer in amines functionalized Pt@MOFs for selective conversion of CO2 to CH4.

Improving ligand-to-active metal charge transfer (LAMCT) by finely tuning the organic ligand is a decisive strategy to enhance charge transfer in metal organic frameworks (MOFs)-based catalysts. However, in most MOFs loaded with active metal catalysts, electron transmission encounters massive obstacle at the interface between the two constituents owing to poor LAMCT. Herein, amines (-NH2) functionalized MOFs (NH2-MIL-101(Cr)) encapsulated active metal Pt nanoclusters (NCs) catalysts are synthesized by the polyol reduction method and utilized for the photoreduction of CO2. Surprisingly, the introduction of -NH2 (electron donating) groups within the matrix of MIL-101(Cr) improved the electron migration through the LAMCT process, fostering a synergistic interaction with Pt. The combined experimental analysis exposed the high number of metallic Pt (Pt0) in Pt@NH2-MIL-101(Cr) catalyst through seamless electron shuttling from N of -NH2 group to excited Pt generating versatile hybrid Pt-N catalytic centres. Consequently, these versatile hybrid catalytic centres act as electro-nucleophilic centres, which enable the efficient and selective conversion of CO bond in CO2 to harvest CH4 (131.0 µmol.g-1) and maintain excellent stability and selectivity for consecutive five rounds, superior to Pt@MIL-101(Cr) and most reported catalysts. Our study verified that the precise tuning of organic ligands in MOFs immensely improves the surface-active centres, electron migration, and catalytic selectivity of the excited Pt NCs catalysts encaged inside MOFs through an improved LAMCT pathway.

Exploring the anticancer and antibacterial potential of naphthoquinone derivatives: a comprehensive computational investigation.

This study investigates the potential of 2-(4-butylbenzyl)-3-hydroxynaphthalene-1,4-dione (11) and its 12 derivatives as anticancer and biofilm formation inhibitors for methicillin-resistant staphylococcus aureus using in silico methods. The study employed various computational methods, including molecular dynamics simulation molecular docking, density functional theory, and global chemical descriptors, to evaluate the interactions between the compounds and the target proteins. The docking results revealed that compounds 9, 11, 13, and ofloxacin exhibited binding affinities of -7.6, -7.9, -7.5, and -7.8 kcal mol-1, respectively, against peptide methionine sulfoxide reductase msrA/msrB (PDB: 3E0M). Ligand (11) showed better inhibition for methicillin-resistant staphylococcus aureus msrA/msrB enzyme. The complex of the 3E0M-ligand 11 remained highly stable across all tested temperatures (300, 305, 310, and 320 K). Principal Component Analysis (PCA) was employed to evaluate the behavior of the complex at various temperatures (300, 305, 310, and 320 K), demonstrating a total variance of 85%. Convergence was confirmed by the eigenvector's cosine content value of 0.43, consistently displaying low RMSD values, with the minimum observed at 310 K. Furthermore, ligand 11 emerges as the most promising candidate among the compounds examined, showcasing notable potential when considering a combination of in vitro, in vivo, and now in silico data. While the naphthoquinone derivative (11) remains the primary candidate based on comprehensive in silico studies, further analysis using Frontier molecular orbital (FMO) suggests while the Egap value of compound 11 (2.980 eV) and compound 13 (2.975 eV) is lower than ofloxacin (4.369 eV), indicating their potential, so it can be a statement that compound 13 can also be investigated in further research.

MXene-Embedded Porous Carbon-Based Cu2O Nanocomposites for Non-Enzymatic Glucose Sensors.

This work explores the use of MXene-embedded porous carbon-based Cu2O nanocomposite (Cu2O/M/AC) as a sensing material for the electrochemical sensing of glucose. The composite was prepared using the coprecipitation method and further analyzed for its morphological and structural characteristics. The highly porous scaffold of activated (porous) carbon facilitated the incorporation of MXene and copper oxide inside the pores and also acted as a medium for charge transfer. In the Cu2O/M/AC composite, MXene and Cu2O influence the sensing parameters, which were confirmed using electrochemical techniques such as cyclic voltammetry, electrochemical impedance spectroscopy, and amperometric analysis. The prepared composite shows two sets of linear ranges for glucose with a limit of detection (LOD) of 1.96 µM. The linear range was found to be 0.004 to 13.3 mM and 15.3 to 28.4 mM, with sensitivity values of 430.3 and 240.5 µA mM-1 cm-2, respectively. These materials suggest that the prepared Cu2O/M/AC nanocomposite can be utilized as a sensing material for non-enzymatic glucose sensors.

Exploring the effectiveness of flavone derivatives for treating liver diseases: Utilizing DFT, molecular docking, and molecular dynamics techniques.

In exploring nature's potential in addressing liver-related conditions, this study investigates the therapeutic capabilities of flavonoids. Utilizing in silico methodologies, we focus on flavone and its analogs (1-14) to assess their therapeutic potential in treating liver diseases. Molecular change calculations using density functional theory (DFT) were conducted on these compounds, accompanied by an evaluation of each analog's physiochemical and biochemical properties. The study further assesses these flavonoids' binding effectiveness and locations through molecular docking studies against six target proteins associated with human cancer. Tropoflavin and taxifolin served as reference drugs. The structurally modified flavone analogs (1-14) displayed a broad range of binding affinities, ranging from -7.0 to -9.4 kcal mol⁻¹, surpassing the reference drugs. Notably, flavonoid (7) exhibited significantly higher binding affinities with proteins Nrf2 (PDB:1 × 2 J) and DCK (PDB:1 × 2 J) (-9.4 and -8.1 kcal mol⁻¹) compared to tropoflavin (-9.3 and -8.0 kcal mol⁻¹) and taxifolin (-9.4 and -7.1 kcal mol⁻¹), respectively. Molecular dynamics (MD) simulations revealed that the docked complexes had a root mean square deviation (RMSD) value ranging from 0.05 to 0.2 nm and a root mean square fluctuation (RMSF) value between 0.35 and 1.3 nm during perturbation. The study concludes that 5,7-dihydroxyflavone (7) shows substantial promise as a potential therapeutic agent for liver-related conditions. However, further validation through in vitro and in vivo studies is necessary. Key insights from this study include:•Screening of flavanols and their derivatives to determine pharmacological and bioactive properties using ADMET, molinspiration, and pass prediction analysis.•Docking of shortlisted flavone derivatives with proteins having essential functions.•Analysis of the best protein-flavonoid docked complexes using molecular dynamics simulation to determine the flavonoid's efficiency and stability within a system.

Investigating the potential of 6-substituted 3-formyl chromone derivatives as anti-diabetic agents using in silico methods.

In exploring nature's potential in addressing diabetes-related conditions, this study investigates the therapeutic capabilities of 3-formyl chromone derivatives. Utilizing in silico methodologies, we focus on 6-substituted 3-formyl chromone derivatives (1-16) to assess their therapeutic potential in treating diabetes. The research examined the formyl group at the chromone's C-3 position. ADMET, biological activities, were conducted along with B3LYP calculations using 3 different basis sets. The analogues were analyzed based on their parent structure obtained from PubChem. The HOMO-LUMO gap confirmed the bioactive nature of the derivatives, NBO analysis was performed to understand the charge transfer. PASS prediction revealed that 3-formyl chromone derivatives are potent aldehyde oxidase inhibitors, insulin inhibitors, HIF1A expression inhibitors, and histidine kinase. Molecular docking studies indicated that the compounds had a strong binding affinity with proteins, including CAD, BHK, IDE, HIF-α, p53, COX, and Mpro of SARS-CoV2. 6-isopropyl-3-formyl chromone (4) displayed the highest affinity for IDE, with a binding energy of - 8.5 kcal mol-1. This result outperformed the affinity of the reference standard dapagliflozin (- 7.9 kcal mol-1) as well as two other compounds that target human IDE, namely vitexin (- 8.3 kcal mol-1) and myricetin (- 8.4 kcal mol-1). MD simulations were revealed RMSD value between 0.2 and 0.5 nm, indicating the strength of the protein-ligand complex at the active site.

A Review of Quartz Crystal Microbalance for Chemical and Biological Sensing Applications.

Humans are fundamentally interested in monitoring and understanding interactions that occur in and around our bodies. Biological interactions within the body determine our physical condition and can be used to improve medical treatments and develop new drugs. Daily life involves contact with numerous chemicals, ranging from household elements, naturally occurring scents from common plants and animals, and industrial agents. Many chemicals cause adverse health and environmental effects and require regulation to prevent pollution. Chemical detection is critically important for food and environmental quality control efforts, medical diagnostics, and detection of explosives. Thus, sensitive devices are needed for detecting and discriminating chemical and biological samples. Compared to other sensing devices, the Quartz Crystal Microbalance (QCM) is well-established and has been considered and sufficiently sensitive for detecting molecules, chemicals, polymers, and biological assemblies. Due to its simplicity and low cost, the QCM sensor has potential applications in analytical chemistry, surface chemistry, biochemistry, environmental science, and other disciplines. QCM detection measures resonate frequency changes generated by the quartz crystal sensor when covered with a thin film or liquid. The quartz crystal is sandwiched between two metal (typically gold) electrodes. Functionalizing the electrode's surface further enhances frequency change detection through to interactions between the sensor and the targeted material. These sensors are sensitive to high frequencies and can recognize ultrasmall masses. This review will cover advancements in QCM sensor technologies, highlighting in-sensor and real-time analysis. QCM-based sensor function is dictated by the coating material. We present various high-sensitivity coating techniques that use this novel sensor design. Then, we briefly review available measurement parameters and technological interventions that will inform future QCM research. Lastly, we examine QCM's theory and application to enhance our understanding of relevant electrical components and concepts.

Effect of Gold Nanoparticle Radiosensitization on DNA Damage Using a Quartz Tuning Fork Sensor.

The development of sensor technology enables the creation of DNA-based biosensors for biomedical applications. Herein, a quartz tuning fork (QTF) sensing system was employed as a transducer for biomedical applications to address indirect DNA damage associated with gold nanoparticles (GNPs) and enhance the effectiveness of low-dose gamma radiation in radiation therapy. The experiment included two stages, namely during and after irradiation exposure; shift frequencies (Δf) were measured for 20 min in each stage. During the irradiation stage, the QTF response to DNA damage was investigated in a deionized aqueous solution with and without 100 nm GNPs at different concentrations (5, 10, 15, and 20 µg/mL). Upon exposure to gamma radiation for 20 min at a dose rate of 2.4 µGy/min, the ratio of Δf/ΔT indicates increased fork displacement frequencies with or without GNPs. Additionally, DNA damage associated with high and low GNP concentrations was evaluated using the change in the resonance frequency of the QTF. The results indicate that GNPs at 15 and 10 µg/mL were associated with high damage-enhancement ratios, while saturation occurred at 20 µg/mL. At 15 µg/mL, significant radiotherapy enhancement occurred compared to that at 10 µg/mL at 10 min after exposure. In the post-irradiation stage, the frequency considerably differed between 15 and 10 µg/mL. Finally, these results significantly depart from the experimental predictions in the post-radiation stage. They exhibited no appreciable direct effect on DNA repair owing to the absence of an environment that promotes DNA repair following irradiation. However, these findings demonstrate the potential of enhancing damage by combining GNP-mediated radiation sensitization and biosensor technology. Thus, QTF is recommended as a reliable measure of DNA damage to investigate the dose enhancement effect at various GNP concentrations.

Bibliometric research analysis of molecularly imprinted polymers (MIPs): evidence and research activity dynamics.

The escalating issue of water pollution has become a worldwide issue that has captured the attention of numerous scientists. Molecularly imprinted polymers (MIPs) have emerged as adaptable materials with exceptional attributes, including easy synthesis, low cost, remarkable durability, long life, and accessibility. These attributes have motivated researchers to develop novel materials based on MIPs to tackle hazardous contaminants in environmental matrices. The purpose of this paper was to conduct a bibliometric analysis on MIPs' publications, in order to shed light on the developments and focus points of the field. The selected publications were obtained from Scopus database and subjected to a filtering process, resulting in 11,131 relevant publications. The analysis revealed that the leading publication source (journal) is Biosensors and Bioelectronics; the mostly employed keywords are solid-phase extraction, electrochemical sensor, and molecular recognition; and the top contributing countries are China, Iran, and the USA. The Latent Dirichlet Allocation (LDA) algorithm was used for extracting thematic axes from the textual content of the publications. The results of the LDA model showcase that the topic of synthesis and performance of MIPs for environmental applications can be considered as the most dominant topic with a share value of 72.71%. From the analysis, it can be concluded that MIPs are a cross-disciplinary research field.