Novel Deliberately Sensitive and Selective Tetrahydrozoline Voltammetric Sensors Integrated with a Copper Oxide Nanoparticle/Zeolite Platform.

The present study introduced a novel disposable screen-printed carbon electrodes (SPCEs) modified with copper oxide/zeolite nanostructures for eco-friendly selective differential pulse voltammetric quantification of tetrahydrozoline (THZ) in eyedrop samples and biological fluids. Modification of the electrode matrix with copper oxide nanoparticles/zeolite nanostructures (CuONPs/ZY) with their effective and synergistic electrocatalytic activity enhanced the electrode performance against electrooxidation of THZ at 0.960 V in BR at pH 9.0 with a diffusion-controlled reaction mechanism. The tentative oxidation mechanism based on molecular orbital calculations postulates the oxidation of THZ molecules through oxidation of a nitrogen atom five-membered ring and the participation of two electrons/protons in the electrode reaction. Linear calibration curves were illustrated within a wide THZ concentration range from 0.24 to 57.2 µg mL-1 recording a limit of detection (LOD) value of 0.0799 µg mL-1. The CuONPs/ZY/SPEs exhibited improved performance compared with the sole reported THZ sensor-based gold film-plated carbon paste electrodes, in addition to their high reproducibility of fabrication and measurement and prolonged shelf lifetime. Tetrahydrozoline was successfully assayed in the presence of excipients, degradation products, and chloramphenicol. The presented voltammetric sensor can be considered as an eco-friendly and reliable analytical approach for monitoring THZ residues in eye drop samples and biological fluids with high recovery compared with the official pharmacopeial analytical protocol. The presented sensors were assessed according to an EcoScale tool and also compared with the reported THZ sensor.

Inkjet-Printed Sensors Based on Nanoferrite-Doped Manganese Oxide Nanoparticles for the Sensitive Differential Pulse Voltammetric Determination of Brimonidine.

The present study described the construction and the electrochemical futures of a novel inject-printed electrochemical sensor based on spinel ferrite-doped manganese oxide nanoparticles (FMnONPs) for the sensitive differential pulse voltammetric quantification of brimonidine (BRIM) in ophthalmic solutions. At the optimized electroanalytical parameters, calibration graphs were linear within the BRIM concentration range of 24-3512 ng mL-1 and recorded a detection limit value of 8.21 ng mL-1. Cyclic voltammograms recorded at different scan rates indicated an adsorption-reaction mechanism for the electrooxidation of BRIM at the electrode surface with the involvement of two electrons and one proton based on the oxidation of the five-membered ring nitrogen atom as recommended by the molecular orbital calculations. The enhanced performance of the introduced inkjet-printed sensors integrated with FMnONPs encourages their application for monitoring BRIM residues in ophthalmic solutions and biological fluids in the presence of BRIM degradation products and other interferents for diverse quality control applications.

Preparation of green colorimetric pH sensor using Humulus lupulus L. (common hop) biomolecular extract for sweat monitoring.

Novel smart cotton diagnostic assay was developed toward onsite sensing of sweat pH variations for possible medical applications such as drug test and healthcare purposes. Humulus lupulus L. extract was obtained according to previously reported procedure. As reported by high-performance liquid chromatography (HPLC), the extract demonstrated the presence of hop acids, prenylchalcones, and prenylflavanones, which is responsible for the colorimetric changes. The extract was applied to cellulose fibers employing potassium aluminum sulfate as mordant. This was observed by the formation of mordant/xanthohumol nanoparticles onto cotton surface. The absorption spectra and CIE (Commission Internationale de l'Eclairage) Lab screening of the prepared cotton assay showed colorimetric changes in association with hypsochromic shift from 600 nm to 433 nm upon exposure to sweat simulant fluid (pH < 7). The biochromic activity of the xanthohumol-finished cotton depends mainly on the halochromic performance of the xanthohumol chromophore to show a colorimetric switch from yellow to white owing to intramolecular charge transfer in the xanthohumol molecule. No substantial defects were detected in gas-permeability and stiffness of the treated fabrics. Satisfactory fastness was approved for the xanthohumol-dyed diagnostic cotton assay.

Preparation of carbon dots-embedded fluorescent carboxymethyl cellulose hydrogel for anticounterfeiting applications.

Fluorescent inks have been emerged as a desirable encoding technique to enhance anticounterfeiting printing of commercial goods. However, significant drawbacks with fluorescent inks, such as poor durability, low efficiency, and high cost. Herein, we describe the preparation of a self-healing authentication ink based on carboxymethyl cellulose (CMC) hydrogel immobilized with nitrogen-doped carbon dots (NCD) nanoparticles (NPs) for cutting-edge anticounterfeiting applications. Security inks that self-heal are very durable. Under ambient conditions, the prepared NCD@CMC hydrogel could self-heal with a high healing efficiency. It might stick to diverse surfaces such as plastic, glass and paper sheets. The self-healing composite ink demonstrated outstanding photostability under UV light. Straightforward and environmentally friendly method was applied on the agricultural waste of rice straw toward the production of NCD using hydrothermal carbonization in an aqueous medium, and in the presence of NH4OH as an inexpensive passivating agent. The quantum yield (QY) for NCD reached 24.09 %. Various concentrations of NCD NPs were employed to produce self-healable nanocomposite inks with a variety of emission properties. Stamping homogeneous films onto paper surfaces produced a transparent layer. The CIE Lab and emission spectra of prints independently verified the capability of NCD nanocomposite inks to vary their color to blue under UV illumination. To measure the particle diameter of the prepared NCD, their morphological characteristics were examined by transmission electron microscopy (TEM) to indicate diameters of 10-25 nm. Utilizing various analytical techniques, the morphology and chemical composition of the fluorescent prints were examined. We examined the mechanical qualities of the stamped papers as well as the rheological characteristics of the ink hydrogel. Due to their colorless appearance, the excitation band of the printed films was peaked at 364 nm, while their emission was peaked at 465 nm. The current smart ink holds high potential for numerous applications like smart packaging and authentication, and shows great promise as a practical and mass production approach for easily creating anticounterfeiting stamps.

Synthetization and characterization of SnCaAl2O3 nanocomposite and using as a superior adsorbent for Pb, Zn, and Cd ions in polluted water.

The presence of heavy metals in drinking water or wastewater poses a serious threat to the ecosystem. Hence, the present study focused on synthesizing SnCaAl2O3 core-shell nanoparticles (C.N.P.s) in the α-Alumina phase by thermal annealing a stacked structure sandwiched between two Al2O3 layers at low temperatures. The obtained structure showed Sn N.P. floating gate with an Al2O3 dielectric stacked tunneling barrier to remove the excess of these heavy metals from polluted water. To characterize the prepared composites, X-ray diffraction (XRD), field emission scanning electron microscope (FE-SEM), and high-resolution transmission electron microscopy (HR-TEM) were used. The synthesized SnCaAl2O3 C.N.P.s composite was examined to utilize it as an adsorbent for removing Zn, Cd, and Pb divalent cations. The removal efficiency was studied by various parameters such as adsorbent dose, pH, contact time, metal concentrations, temperature, and coexisting ions. The experimental results were tested via Langmuir and Freundlich isotherm models. The obtained results were convenient to the Freundlich isotherm model. Moreover, the adsorption thermodynamic behavior of Zn+2, Cd+2, and Pb+2 on the synthesized composite was examined, and the process is endothermic and spontaneous under experimental conditions. The results illustrated that the adsorption efficiency of the SnCaAl2O3 core-shell nanoparticles (C.N.P.s) ranged from 88% to about 100% for all cations.

Assessment of supplied water quality during mass gatherings in arid environments.

Mass gathering events commonly encounter environmental challenges that necessitate assurance of water quality and food security. The current outbreak of the coronavirus disease 2019 (COVID-19) call for maintaining safe drinking water supply and providing assessment tools of drinking water quality to avoid contamination in water sources or distribution networks. Arid environmental conditions also add more stress on supplied water to mass gathering events. Herein, we assess the quality of the water supply (desalinated 95% and groundwater 5%) in Makkah city, Saudi Arabia during a mass gathering event in 2019 (9.6 million people) for religious purposes. Fifty five samples were randomly collected from nine different districts of Makkah city, analyzed for TDS, turbidity, pH, EC, free Cl2, Al, Cd, Pb, Cr, F, major ions, coliform and E.coli bacteria and were finally used to estimate the water quality index (WQI). Major ions, trace elements and heavy metals analyses show values below permissible limits in most of the samples, while a few samples show slightly higher values. No bacterial count found in any sample. WQI values of all fifty-five samples were below 50 and were identified as "excellent water". The WQI variations could be attributed to the distribution network conditions rather than a direct impact of adding groundwater with uncontrolled chemical composition. The use of WQI to report the quality of water during mass gathering events to governmental authorities has been proved to be beneficial and should be applied for further mass gathering events worldwide.

Geo-environmental approach to assess heavy metals around auto-body refinishing shops using bio-monitors.

The vehicular industry is looking for continuous challenges to develop the sustainability of its manufacturing, maintenance processes, and vehicle emissions due to marketability, environmental, economic, and policy concerns. The present study focuses on the impact of these processes on the environment. In Pakistan, most of the auto-body refinishing processes are carried out in an open atmosphere. The shades of Azadirachta indica (Neem Tree) are generally used for the outdoor practice of scrapping, grinding, and painting in auto-body refinishing shops of Pakistan. Azadirachta indica leaves were selected as bio-indicator. For the present work, 26 affected sites and 10 control sites were selected from Karachi city, which is the financial hub and biggest city of Pakistan. Concentrations of different metals (Fe, Co, Cd, Cr, Cu, Mn, Mo, Ni, Pb, and Zn) were determined by atomic absorption spectrophotometer. A geographic information system (GIS) is used to present the variation in concentrations within Karachi city. The only positive correlation was observed in Pb and Mn (0.750). Principal component analysis (PCA) is applied to identify the anthropogenic effect between auto-body refinishing areas and control areas. Almost all analyzed metals show higher concentration at affected sites but Pb (87.14 mg/kg), Mn (46.47 mg/kg) and Fe (146.95 mg/kg) were leading the values, as compared to their concentration at control sites, Pb (48.83 mg/kg), Mn (15.23 mg/kg) and Fe (43.07 mg/kg). All analyzed metals are frequently present in different color pigments, whereas Pb, Mn, and Fe may also come from other sources, like the anti-knocking agent, vehicular exhaust, and scraping of car surface.

Development of Thermochromic Ink Using the Anthocyanidin-Based Red-Cabbage Extract for Anticounterfeiting Applications.

Temperature-driven colorful switching inks have been an interesting security encoding method to improve the anticounterfeiting properties of commercially available merchandise. Recently, thermochromic inks have faced many disadvantages, such as low efficiency, high cost, and low durability. In the current study, we developed self-healable ink from poly(2-acrylamido-2-methyl-1-propanesulfonic acid) (PAMPSA) integrated with the anthocyanidin(ACY)-based red-cabbage extract in the presence of ferrous sulfate for authentication purposes. Self-healable inks have been able to guarantee durability and thermal stability. Environmentally friendly, ACY-based chromophore was extracted from Brassica oleracea L. var. Capitata (red-cabbage) to serve as a spectroscopic probe immobilized into PAMPSA. The prepared self-healable nanocomposite ink (PAMPSA-ACY) displayed temperature-induced chromism with high reversibility and thermal stability. Different self-healable nanocomposite inks of thermochromic features were prepared employing different ratios of the ACY-based red-cabbage extract. As described by Commission Internationale de L'éclairage Lab coordinates, homogeneous films were stamped on the paper surface to show a purple color (631 nm) able to switch color into red (458 nm) with the increase in temperature from 25 to 65 °C, respectively. Transmission electron microscopy, infrared spectra (FT-IR), energy-dispersive X-ray, and scanning electron microscopy were utilized to inspect the morphological behavior and chemical compositions of thermochromic prints. Both mechanical and rheological properties of ink-printed paper substrates and ink solution were also investigated. Both of antimicrobial activity and cytotoxicity study of the nanocomposite ink (PAMPSA-ACY) were also evaluated. Various industries can take the advantage of the current ink as a competent approach for anticounterfeiting purposes.

Advances in Heavy Metal Bioremediation: An Overview.

The pollution of toxic heavy metals is considered one of the most important environmental issues which has accelerated dramatically due to changing industrial activities. This review focuses on the most common methods, strategies, and biological approaches of heavy metal bioremediation. Also, it provides a general overview of the role of microorganisms in the bioremediation of heavy metals in polluted environments. Advanced methods of heavy metal remediation include physicochemical and biological methods; the latter can be further classified into in situ and ex situ bioremediation. The in situ process includes bioventing, biosparging, biostimulation, bioaugmentation, and phytoremediation. Ex situ bioremediation includes land farming, composting, biopiles, and bioreactors. Bioremediation uses naturally occurring microorganisms such as Pseudomonas, Sphingomonas, Rhodococcus, Alcaligenes, and Mycobacterium. Generally, bioremediation is of very less effort, less labor intensive, cheap, ecofriendly, sustainable, and relatively easy to implement. Most of the disadvantages of bioremediation relate to the slowness and time-consumption; furthermore, the products of biodegradation sometimes become more toxic than the original compound. The performance evaluation of bioremediation might be difficult as it has no acceptable endpoint. There is a need for further studies to develop bioremediation technologies in order to find more biological solutions for bioremediation of heavy metal contamination from different environmental systems.

Redox nanomedicine ameliorates chronic kidney disease (CKD) by mitochondrial reconditioning in mice.

Targeting reactive oxygen species (ROS) while maintaining cellular redox signaling is crucial in the development of redox medicine as the origin of several prevailing diseases including chronic kidney disease (CKD) is linked to ROS imbalance and associated mitochondrial dysfunction. Here, we have shown that a potential nanomedicine comprising of Mn3O4 nanoparticles duly functionalized with biocompatible ligand citrate (C-Mn3O4 NPs) can maintain cellular redox balance in an animal model of oxidative injury. We developed a cisplatin-induced CKD model in C57BL/6j mice with severe mitochondrial dysfunction and oxidative distress leading to the pathogenesis. Four weeks of treatment with C-Mn3O4 NPs restored renal function, preserved normal kidney architecture, ameliorated overexpression of pro-inflammatory cytokines, and arrested glomerulosclerosis and interstitial fibrosis. A detailed study involving human embryonic kidney (HEK 293) cells and isolated mitochondria from experimental animals revealed that the molecular mechanism behind the pharmacological action of the nanomedicine involves protection of structural and functional integrity of mitochondria from oxidative damage, subsequent reduction in intracellular ROS, and maintenance of cellular redox homeostasis. To the best of our knowledge, such studies that efficiently treated a multifaceted disease like CKD using a biocompatible redox nanomedicine are sparse in the literature. Successful clinical translation of this nanomedicine may open a new avenue in redox-mediated therapeutics of several other diseases (e.g., diabetic nephropathy, neurodegeneration, and cardiovascular disease) where oxidative distress plays a central role in pathogenesis.

Aurintricarboxylic acid and its metal ion complexes in comparative virtual screening versus Lopinavir and Hydroxychloroquine in fighting COVID-19 pandemic: Synthesis and characterization.

The salt of Aurintricarboxylic acid (ATA) was utilized in this study to synthesize new alkaline earth metal ion complexes. The analytical results proposed the isolation of mononuclear (Sr+2&Ba+2) and binuclear complexes (Mg+2&Ca+2). These complexes were analyzed by available analytical and spectral techniques. The tetrahedral geometry was suggested for all complexes (SP3) through bidentate binding mode of ligand with each central atom. UV-Vis spectra reveal the influence of L â†’ M charge transfer and the estimated optical band gap mostly appeared close to that for known semiconductors. XRD, SEM and TEM studies were executed for new complexes and reflects the nano-crystallinity and homogeneous morphology. The structural forms of ATA and its complexes were optimized by DFT/B3LYP under 6-31G and LANL2DZ basis sets. The output files (log, chk &fchk) were visualized on program screen and according to numbering scheme, many physical features were obtained. It is worthy to note that, a virtual simulation for the inhibition affinity towards COVID-19 proteins as proactive study before the actual application, was done for ATA and its complexes. This was done in addition to drugs currently applied in curing (Hydroxychloroquine & Lopinavir), for comparison and recommendation. Drug-likeness parameters were obtained to evaluate the optimal pharmacokinetics to ensure efficacy. Furthermore, simulated inhibition for COVID-19 cell-growth, was conducted by MOE-docking module. The negative allosteric binding mode represents good inhibitory behavior of ATA, Ba(II)-ATA complex and Lopinavir only. All interaction outcomes of Hydroxychloroquine drug reflect unsuitability of this drug in treating COVID-19. On the other hand, there is optimism for ATA and Lopinvir behaviors in controlling COVID-19 proliferation.

Simultaneous Determination of Chloroquine and Pyrimethamine with Cetirizine in an Active Form and Human Serum by RP-HPLC.

A simple, accurate and precise RP-HPLC method was developed for the simultaneous determination of chloroquine, pyrimethamine and cetirizine hydrochloride concentrations in bulk drug and human serum. The assay was performed using a mobile phase of methanol: water (70:30) at pH of 2.8 ± 0.05 on the Purospher C-18 column with UV detection at 230 nm and rosuvastatin used as an internal standard. The retention times observed for chloroquine, pyrimethamine and cetirizine hydrochloride were 3.5, 2.5 and 5.5 minutes, respectively. The method was found to be specific for the assayed drugs showing a linear response in the concentration range of 1-100 µg mL-1 with coefficients of determination values of (r = 0.999). The method was developed and validated according to ICH guidelines. The method was used to monitor the serum samples and was found to be sensitive for therapeutic purposes, showing the potential to be a useful tool for routine analysis in laboratories.

Highly Selective Optical Sensor Eu (TTA)3 Phen Embedded in Poly Methylmethacrylate for Assessment of Total Prostate Specific Antigen Tumor Marker in Male Serum Suffering Prostate Diseases.

A low-cost, simple, and highly selective method was used for the assessment of total prostate specific antigen (tPSA) in the serum of prostate cancer patients. This method is based on quenching the intensity of luminescence displayed by the optical sensor Eu (TTA)3 phen/poly methylmethacrylate (PMMA) thin membrane or film upon adding different concentrations of tPSA. The luminescent optical sensor was synthesized and characterized through absorption, emission, scanning electron microscopy (SEM), and x-ray diffraction (XRD), and is tailored to present red luminescence at 614 nm upon excitation at 395 nm in water. The fabricated sensor fluorescence intensity is quenched in the presence of tPSA in aqueous media. The fluorescence resonance energy transfer (FRET) is the main mechanism by which the sensor performs. The sensor was successfully utilized to estimate tPSA in the serum of patients suffering prostate cancer in a time and cost effective way. The statistical results of the method were satisfactory with 0.0469 ng mL-1 as a detection limit and 0.99 as a correlation coefficient.

Development a spectrofluorometric micellar supported encapsulated method for micro determination of silver ion using new 2,6-disubstituted pyridine derivatives.

Herein, the presented manuscript provides for an extensive spectrofluorimetric method for micro determination of silver ion. This established method based on the use of the three synthesized 2,6-disubstituted pyridine derivatives (R1, R2 and R3) through exploiting their high fluorescence emission property. A noticeable effect on the fluorescence emission of the reagents after chelation with Ag (I) was monitored. Its noteworthy that the sensitivity and stability of this method was increased by using micellar medium. After chelation with Ag(I), the fluorescence emission of the ligands R1 and R2 were effectively quenched in a regular manner by increasing Ag(I) concentration. In contrast, an increase of the fluorescence intensity for reagent R3 after addition of Ag (I) was observed. The solvatochromism for all reagents under investigation was examined in different solvent. Furthermore, the chelation between Ag(I) and the and designed pyridine reagents was assessed spectrophotometrically. The optimum conditions for the most stable complexes which give a high signal difference were explored and well-determined. The linear range for determination of silver ion were determined and found to be 0.18-1.16, 0.06-0.59 and 0.18-1.43 µg mL-1 for R1, R2 and R3, respectively. The statistical analytical parameters such as LOD, LOQ, SD of slope, SD of intercept and RDS were calculated. In addition, the developed methods were efficaciously applied for determination of Ag(I) in some water samples. These selective complexation methods found to be in good precision compared to official and reported method as revealed F-test.

Bioactive fluorenes. Part III: 2,7-dichloro-9H-fluorene-based thiazolidinone and azetidinone analogues as anticancer and antimicrobial against multidrug resistant strains agents.

BACKGROUND: Thiazoles, thiazolidinones and azetidinones are highly ranked amongst natural and synthetic heterocyclic derivatives due to their great pharmaceutical potential. RESULTS: New thiazolidinone and azetidinone class of bioactive agents based on 4-(2,7-dichloro-9H-fluoren-4-yl)thiazole moiety have been successfully synthesized. 4-(2,7-dichloro-9H-fluoren-4-yl)thiazol-2-amine was synthesized and allowed to react with various aryl/heteroaryl aldehydes to afford the corresponding Schiff base intermediates. The target thiazolidinone and azetidinone analogues have derived from Schiff bases by their reactions with thioglycolic acid and chloroacetyl chloride, respectively. The newly synthesized compounds were then evaluated for their antimicrobial activity against some multidrug resistant strains and examined for cytotoxic activity against normal lung fibroblast (WI-38), human lung carcinoma (A549), and human breast carcinoma (MDA-MB-231) cell lines to develop a novel class of fluorene-based bioactive agents. The mode of action and the binding interaction of the synthesized compound with the active sites of dihydrofolate reductase enzyme were well identified by fluorescence-activated cell sorting (FACS) analysis and molecular docking study. CONCLUSION: Some of the synthesized compounds showed remarkable activity against A-549 and MDA-MB-231 when compared to Taxol, which was used as a reference drug. 2,7-dichloro-9H-fluorene-based azetidinones are more efficient as antimicrobial and anticancer agents compared to dichloro-9H-fluorene-based thiazolidinones derivatives.

Highly Efficient Gold Nano-Flower Optical Biosensor Doped in a Sol-Gel/PEG Matrix for the Determination of a Calcitonin Biomarker in Different Serum Samples.

We developed a novel, simple, sensitive, accurate, and precise method for the determination of calcitonin in different serum samples with medullar thyroid carcinoma. The designed flower-like thin film gold nanoparticles doped in a sol-gel/polyethylene glycol mold are used as an optical biosensor for the efficient determination of calcitonin. The sensor was characterized by transmission electron microscopy, scanning electron microscopy, X-ray diffraction, energy-dispersive X-ray microanalysis, and Fourier-transform infrared spectroscopy. The efficiency of the considered bio-sensor is done using the quencher calcitonin of the emission band at 360 nm of biomarker obtained at λex = 333 nm in acetonitrile solvent. The sensing mechanism was based on fluorescence resonance energy transfer. The remarkable quenching of the fluorescence intensity at 360 nm of optical sensor by various concentrations of calcitonin was successfully used as an optical biosensor for the assessment of calcitonin for different serum samples of patients with medullar thyroid carcinoma. The calibration plot was prepared for the concentration range 0.01-1000 pg/mL of calcitonin with a correlation coefficient of 0.99 and a detection limit of 0.707 pg/mL. The suggested method augments the sensitivity of calcitonin as a useful biomarker for the early diagnosis of medullar thyroid carcinoma. This method is considered as a gateway for the construction of a new prototype for the follow-up of thyroid cancer in the spinal cord during and after treatment.

A combined spectroscopic and ab initio study of the transmetalation of a polyphenol as a potential purification strategy for food additives.

Recently, metal exchange (transmetalation) techniques have become popular for the post-synthesis modification of metal organic complexes (MOCs). Here, we have explored the possibility of toxic metal ion (mercury (Hg)) exchange from a model polyphenol, curcumin, which is a very important food additive, using a much less toxic counterpart (copper). While the attachment of different metals on the polyphenol was confirmed using a picosecond resolved fluorescence technique, the surface plasmon resonance (SPR) band of the Ag nanoparticle (NP) was employed as a tool to detect uncoupled Hg ions in aqueous media. Furthermore, a microscopic understanding of the experimental observations was achieved through density functional theory (DFT) based theoretical studies. The presence of Cu ions in the vicinity of Hg-curcumin, upon ground state optimization, was observed to extrude most of the Hg from the curcumin complex and replace its position in the complex. The study may find relevance in the development of a purification strategy for food additives heavily contaminated with toxic metals.

Nano-MOFs as targeted drug delivery agents to combat antibiotic-resistant bacterial infections.

The drug resistance of bacteria is a significant threat to human civilization while the action of antibiotics against drug-resistant bacteria is severely limited owing to the hydrophobic nature of drug molecules, which unquestionably inhibit its permanency for clinical applications. The antibacterial action of nanomaterials offers major modalities to combat drug resistance of bacteria. The current work reports the use of nano-metal-organic frameworks encapsulating drug molecules to enhance its antibacterial activity against model drug-resistant bacteria and biofilm of the bacteria. We have attached rifampicin (RF), a well-documented antituberculosis drug with tremendous pharmacological significance, into the pore surface of zeolitic imidazolate framework 8 (ZIF8) by a simple synthetic procedure. The synthesized ZIF8 has been characterized using the X-ray diffraction (XRD) method before and after drug encapsulation. The electron microscopic strategies such as scanning electron microscope and transmission electron microscope methods were performed to characterize the binding between ZIF8 and RF. We have also performed picosecond-resolved fluorescence spectroscopy to validate the formation of the ZIF8-RF nanohybrids (NHs). The drug release profile experiment demonstrates that ZIF8-RF depicts pH-responsive drug delivery and is ideal for targeting bacterial disease corresponding to its inherent acidic nature. Most remarkably, ZIF8-RF gives enhanced antibacterial activity against methicillin-resistant Staphylococcus aureus bacteria and also prompts entire damage of structurally robust bacterial biofilms. Overall, the present study depicts a detailed physical insight for manufactured antibiotic-encapsulated NHs presenting tremendous antimicrobial activity that can be beneficial for manifold practical applications.

Partial Least Squares with Structured Output for Modelling the Metabolomics Data Obtained from Complex Experimental Designs: A Study into the Y-Block Coding.

Partial least squares (PLS) is one of the most commonly used supervised modelling approaches for analysing multivariate metabolomics data. PLS is typically employed as either a regression model (PLS-R) or a classification model (PLS-DA). However, in metabolomics studies it is common to investigate multiple, potentially interacting, factors simultaneously following a specific experimental design. Such data often cannot be considered as a "pure" regression or a classification problem. Nevertheless, these data have often still been treated as a regression or classification problem and this could lead to ambiguous results. In this study, we investigated the feasibility of designing a hybrid target matrix Y that better reflects the experimental design than simple regression or binary class membership coding commonly used in PLS modelling. The new design of Y coding was based on the same principle used by structural modelling in machine learning techniques. Two real metabolomics datasets were used as examples to illustrate how the new Y coding can improve the interpretability of the PLS model compared to classic regression/classification coding.