Applications of Machine Learning (ML) and Mathematical Modeling (MM) in Healthcare with Special Focus on Cancer Prognosis and Anticancer Therapy: Current Status and Challenges.

The use of data-driven high-throughput analytical techniques, which has given rise to computational oncology, is undisputed. The widespread use of machine learning (ML) and mathematical modeling (MM)-based techniques is widely acknowledged. These two approaches have fueled the advancement in cancer research and eventually led to the uptake of telemedicine in cancer care. For diagnostic, prognostic, and treatment purposes concerning different types of cancer research, vast databases of varied information with manifold dimensions are required, and indeed, all this information can only be managed by an automated system developed utilizing ML and MM. In addition, MM is being used to probe the relationship between the pharmacokinetics and pharmacodynamics (PK/PD interactions) of anti-cancer substances to improve cancer treatment, and also to refine the quality of existing treatment models by being incorporated at all steps of research and development related to cancer and in routine patient care. This review will serve as a consolidation of the advancement and benefits of ML and MM techniques with a special focus on the area of cancer prognosis and anticancer therapy, leading to the identification of challenges (data quantity, ethical consideration, and data privacy) which are yet to be fully addressed in current studies.

SRRM4-mediated REST to REST4 dysregulation promotes tumor growth and neural adaptation in breast cancer leading to brain metastasis.

BACKGROUND: Effective control of brain metastasis remains an urgent clinical need due a limited understanding of the mechanisms driving it. Although the gain of neuro-adaptive attributes in breast-to-brain metastases (BBMs) has been described, the mechanisms that govern this neural acclimation and the resulting brain metastasis competency are poorly understood. Herein, we define the role of neural-specific splicing factor Serine/Arginine Repetitive Matrix Protein 4 (SRRM4) in regulating microenvironmental adaptation and brain metastasis colonization in breast cancer cells. METHODS: Utilizing pure neuronal cultures and brain-naive and patient-derived BM tumor cells, along with in vivo tumor modeling, we surveyed the early induction of mediators of neural acclimation in tumor cells. RESULTS: When SRRM4 is overexpressed in systemic breast cancer cells, there is enhanced BBM leading to poorer overall survival in vivo. Concomitantly, SRRM4 knockdown expression does not provide any advantage in central nervous system metastasis. In addition, reducing SRRM4 expression in breast cancer cells slows down proliferation and increases resistance to chemotherapy. Conversely, when SRRM4/REST4 levels are elevated, tumor cell growth is maintained even in nutrient-deprived conditions. In neuronal coculture, decreasing SRRM4 expression in breast cancer cells impairs their ability to adapt to the brain microenvironment, while increasing SRRM4/RE-1 Silencing Transcription Factor (REST4) levels leads to greater expression of neurotransmitter and synaptic signaling mediators and a significant colonization advantage. CONCLUSIONS: Collectively, our findings identify SRRM4 as a regulator of brain metastasis colonization, and a potential therapeutic target in breast cancer.

Fluorescent and Electrochemical Sensor Based on Basic Red 9 Dye Functionalised Graphene Oxide-Montmorillonite Composite for Selective Detection of Cerium (III) Ion.

In this work, graphene oxide (GO) has been prepared from used dry cells using modified Hummer's method and encapsulated with montmorillonite clay. To enhance its electrical property, the GO-MMT composite has been functionalised with Basic Red 9 dye. The sensor was characterized by various spectroscopic techniques like FT-IR spectroscopy, PXRD, SEM analysis, etc. Basic Red 9 dye functionalised GO-MMT composite has been employed for fluorescent and electrochemical detection of Ce3+ ion. The fluorescent turn-on sensing is sensitive, reversible and free from interference from other metal ions. The detection of Ce3+ ion by the sensor was also conducted in bovine serum albumin (BSA) medium. Pt electrode modified with the hybrid sensor produces excellent electrochemical change in presence of Ce3+ ion through cyclic voltammetry and square wave voltammetry technique. The limit of detection (LOD) from fluorescence spectroscopy, cyclic voltammetry and square wave voltammetry were calculated to be 0.6556 × 10- 9 M, 1.232 × 10- 9 M and 1.923 × 10- 9 M respectively.

Anti-Obesity Drug Delivery Systems: Recent Progress and Challenges.

Obesity has reached an epidemic proportion in the last thirty years, and it is recognized as a major health issue in modern society now with the possibility of serious social and economic consequences. By the year 2030, nearly 60% of the global population may be obese or overweight, which emphasizes a need for novel obesity treatments. Various traditional approaches, such as pharmacotherapy and bariatric surgery, have been utilized in clinical settings to treat obesity. However, these methods frequently show the possibility of side effects while remaining ineffective. There is, therefore, an urgent need for alternative obesity treatments with improved efficacy and specificity. Polymeric materials and chemical strategies are employed in emerging drug delivery systems (DDSs) to enhance therapy effectiveness and specificity by stabilizing and controlling the release of active molecules such as natural ingredients. Designing DDSs is currently a top priority research objective with an eye towards creating obesity treatment approaches. In reality, the most recent trends in the literature demonstrate that there are not enough in-depth reviews that emphasize the current knowledge based on the creation and design of DDSs for obesity treatment. It is also observed in the existing literature that a complex interplay of different physical and chemical parameters must be considered carefully to determine the effectiveness of the DDSs, including microneedles, for obesity treatment. Additionally, it is observed that these properties depend on how the DDS is synthesized. Although many studies are at the animal-study stage, the use of more advanced DDS techniques would significantly enhance the development of safe and efficient treatment approaches for obese people in the future. Considering these, this review provides an overview of the current anti-obesity treatment approaches as well as the conventional anti-obesity therapeutics. The article aims to conduct an in-depth discussion on the current trends in obesity treatment approaches. Filling in this knowledge gap will lead to a greater understanding of the safest ways to manage obesity.

Coupled Diffusion-Binding-Deformation Modelling for Phase-Transition Microneedles-Based Drug Delivery.

Phase-transition microneedles (PTMNs)-based transdermal drug delivery (TDD) is gaining popularity due to its non-invasiveness and ability to deliver a wide range of drugs. PTMNs absorb interstitial skin fluid (ISF) and transport drugs from microneedle (MNs) domain to the skin without polymer dissolution. To establish PTMNs for practical use, one needs to understand and optimise the key parameters governing drug transport mechanisms to achieve controlled drug delivery. In addressing this point, we have developed a coupled diffusion-binding-deformation model to understand the effect of physicochemical parameters (e.g., swelling capacity, drug binding) of MN and skin mechanical properties on overall drug transport behaviour. The contact mechanics at the MN and skin interface is introduced to account for the resistive force exerted by the deformed skin to MN swelling. The model is validated with the reported data of in vitro insulin delivery using polyvinyl alcohol (PVA) MN. The drug binding parameters are estimated from the fitting of the cumulative release of insulin within 6 hours of MN insertion. To predict the in vivo data of insulin delivery using the PVA MN, one-compartment model of drug pharmacokinetics is incorporated. It is shown in the paper that the model is able to predict the final insulin concentration in blood and in good agreement with the reported experimental data. The proposed model is concluded to be a tool for the predictive design and development of PTMNs-based TDD systems.

Barium Oxide Doped Magnesium Silicate Nanopowders for Bone Fracture Healing: Preparation, Characterization, Antibacterial and In Vivo Animal Studies.

Magnesium silicate (MgS) nanopowders doped with barium oxide (BaO) were prepared by sol-gel technique, which were then implanted into a fracture of a tibia bone in rats for studying enhanced in vivo bone regeneration. The produced nanopowders were characterized using X-ray diffraction (XRD), Fourier transform infrared spectra (FTIR), scanning electron microscope with energy-dispersive X-ray spectrometry (SEM-EDX) and transmission electron microscope (TEM). Mechanical and bactericidal properties of the nanopowders were also determined. Increased crystallinity, particle diameter and surface area were found to decrease after the BaO doping without any notable alterations on their chemical integrities. Moreover, elevated mechanical and antibacterial characteristics were recognized for higher BaO doping concentrations. Our animal studies demonstrated that impressive new bone tissues were formed in the fractures while the prepared samples degraded, indicating that the osteogenesis and degradability of the BaO containing MgS samples were better than the control MgS. The results of the animal study indicated that the simultaneous bone formation on magnesium biomaterial silicate and barium MgS with completed bone healing after five weeks of implantations. The findings also demonstrated that the prepared samples with good biocompatibility and degradability could enhance vascularization and osteogenesis, and they have therapeutic potential to heal bone fractures.

Managing ANCA-associated vasculitis during COVID-19 pandemic: a single-center cross-sectional study.

The objective of the study is to report the outcomes of COVID-19 in ANCA-associated vasculitis (AAV) patients. This was a registry-based observational study conducted at a tertiary care center in north India. AAV patients with at least one follow-up visit between March 2020 and September 2021 were included. Demographic features, clinical manifestations, disease activity, and treatment details of underlying AAV were noted in all patients. Details of COVID-19 infection including severity, treatment, and outcomes were noted. Predictors of COVID-19 severity were determined using univariate analysis. A total of 33 (18.3%) out of 180 AAV patients contracted COVID-19 infection. Moderate COVID-19 infection was seen in 33.3% and severe or critical infection was seen in 36.3% of patients. Seventeen patients (51.5%) required supplemental oxygen therapy. Nine patients had active disease at the time of COVID-19 infection and three of them died due to COVID-19 infection. The risk of COVID-19 infection and its severity did not differ between patients receiving different immunosuppressants including rituximab induction. Hypothyroidism (p = 0.046) and ocular (p = 0.038) involvement due to AAV predicted the development of moderate to severe/critical COVID-19. Three (9.1%) patients died from COVID-19 and the rate of AAV flare after COVID-19 was similar to that in non-COVID-19 patients (15.3/100 person-year vs. 15.6/100 person-year, p = 0.95). Majority of the patients with AAV had moderate to severe or critical COVID-19 infection. The rate of death due to COVID-19 in AAV is higher than in general population. Use of standard remission induction regimens did not lead to increased risk of COVID-19 infection in our AAV cohort.

Decentralized systems for the treatment of antimicrobial compounds released from hospital aquatic wastes.

In many developing countries, untreated hospital effluents are discharged and treated simultaneously with municipal wastewater. However, if the hospital effluents are not treated separately, they pose concerning health risks due to the possible transport of the antimicrobial genes and microbes in the environment. Such effluent is considered as a point source for a number of potentially infectious microorganisms, waste antimicrobial compounds and other contaminants that could promote antimicrobial resistance development. The removal of these contaminants prior to discharge reduces the exposure of antimicrobials to the environment and this should lower the risk of superbug development. At an effluent discharge site, suitable pre-treatment of wastewater containing antimicrobials could maximise the ecological impact with potentially reduced risk to human health. In addressing these points, this paper reviews the applications of decentralized treatment systems toward reducing the concentration of antimicrobials in wastewater. The most commonly used techniques in decentralized wastewater treatment systems for onsite removal of antimicrobials were discussed and evidence suggests that hybrid techniques should be more useful for the efficient removal of antimicrobials. It is concluded that alongside the cooperation of administration departments, health industries, water treatment authorities and general public, decentralized treatment technology can efficiently enhance the removal of antimicrobial compounds, thereby decreasing the concentration of contaminants released to the environment that could pose risks to human and ecological health due to development of antimicrobial resistance in microbes.

Potential of Microneedle Systems for COVID-19 Vaccination: Current Trends and Challenges.

To prevent the coronavirus disease 2019 (COVID-19) pandemic and aid restoration to prepandemic normality, global mass vaccination is urgently needed. Inducing herd immunity through mass vaccination has proven to be a highly effective strategy for preventing the spread of many infectious diseases, which protects the most vulnerable population groups that are unable to develop immunity, such as people with immunodeficiencies or weakened immune systems due to underlying medical or debilitating conditions. In achieving global outreach, the maintenance of the vaccine potency, transportation, and needle waste generation become major issues. Moreover, needle phobia and vaccine hesitancy act as hurdles to successful mass vaccination. The use of dissolvable microneedles for COVID-19 vaccination could act as a major paradigm shift in attaining the desired goal to vaccinate billions in the shortest time possible. In addressing these points, we discuss the potential of the use of dissolvable microneedles for COVID-19 vaccination based on the current literature.

Biocompatibility of hydroxyethyl cellulose/glycine/RuO2 composite scaffolds for neural-like cells.

Fabrication of scaffolds for nerve regeneration is one of the most challenging topics in regenerative medicine at the moment, which is also interlinked with the development of biocompatible substrates for cells growth. This work is targeted towards the development of green biomaterial composite scaffolds for nerve cell culture applications. Hybrid scaffolds of hydroxyethyl cellulose/glycine (HEC/Gly) composite doped with different concentrations of green ruthenium oxide (RuO2) were synthesized and characterized via a combination of different techniques. X-rays diffraction (XRD) and differential scanning calorimetry (DSC) analyses showed a crystalline nature for all the samples with noticeable decrease in the peak intensity of the fabricated scaffolds as compared to that for pure glycine. Fourier transform infrared spectroscopy (FTIR) tests revealed an increase in the vibrational bands of the synthesized RuO2 containing scaffolds which are related to the functional groups of the natural plant extract (Aspalathuslinearis) used for RuO2 nanoparticles (NPs) synthesis. Scanning electron microscopy (SEM) results revealed a 3D porous structure of the scaffolds with variant features attributed to the concentration of RuO2 NPs in the scaffold. The compressive test results recorded an enhancement in mechanical properties of the fabricated scaffolds (up to 8.55 MPa), proportionally correlated to increasing the RuO2 NPs concentration in HEC/Gly composite scaffold. Our biocompatibility tests revealed that the composite scaffolds doped with 1 and 2 ml of RuO2 demonstrated the highest proliferation percentages (152.2 and 135.6%) compared to control. Finally, the SEM analyses confirmed the impressive cells attachments and differentiation onto the scaffold surfaces as evidenced by the presence of many neuron-like cells with apparent cell bodies and possessing few short neurite-like processes. The presence of RuO2 and glycine was due to their extraordinary biocompatibility due to their cytoprotective and regenerative effects. Therefore, we conclude that these scaffolds are promising for accommodation and growth of neural-like cells.

Super-swelling hydrogel-forming microneedle based transdermal drug delivery: Mathematical modelling, simulation and experimental validation.

Super-swelling hydrogel-forming microneedles (HFMNs) based transdermal drug delivery (TDD) is gaining significant interest due to their non-invasiveness and ability to deliver a wide range of drugs. The HFMNs swell by imbibing interstitial skin fluid (ISF), and they facilitate drug transport from the reservoir attached at the base into the skin without polymer dissolution. To develop HFMNs for practical applications, a complete understanding of the drug transport mechanism is required, allowing for controlled TDD and geometrical optimisation. A three-phase system consisting of a reservoir, microneedle, and skin is considered. A mathematical model is developed to incorporate the drug binding within the matrix of the compartment, which was not considered earlier. Super-swelling nature of the HFMNs is incorporated through the swelling ratio obtained experimentally for a polymer. The results are validated with in vitro diffusion studies of ibuprofen sodium (IBU) across excised porcine skin, showing that around 20% of the loaded IBU in lyophilised wafer was delivered in 24 h. It was observed that increasing IBU solubility in reservoir can achieve high drug transport across the skin. The developed model is shown to be in good agreement with the experimental data. It is concluded that the proposed model can be considered a tool with predictive design and development of super-swelling HFMNs based TDD systems.

Condensation Product of 1-Naphthaldehyde and 3-Aminophenol: Fluorescent "on" Probe for Ce3+and "off" Probe for Dichromate (Cr2O72-).

A new probe (Z)-3-((naphthalen-1-ylmethylene)amino)phenol has been synthesized by condensation reaction between 1-naphthaldehyde and 3-aminophenol for the fluorescent sensing of Ce3+ by "on" mode and dichromate (Cr2O72-) by "off" mode. Metal ions-Ag+, Al3+, As3+, Ba2+, Ca2+, Cd2+, Ce4+, Co2+, Cr3+, Cr6+, Cu2+, Fe2+, Fe3+, Hg2+, K+, La+, Li+, Mg2+, Mn2+, Na+, Ni2+, Pb2+, Zn2+and anions Br-, C2O42-, CH3COO-, Cl-, CO32-, F-, H2PO4-, HCO3-, HF2-, HPO42-, I-, MnO4-, NO3-, OH-, S2-, S2O32-, SCN-, SO42- do not interfere. The limit of detection (LOD) for sensing Ce3+ and Cr2O72- ions are 1.286 × 10-7 M and 6.425 × 10-6 M, respectively.

Novel zinc-silver nanocages for drug delivery and wound healing: Preparation, characterization and antimicrobial activities.

Metal organic framework (MOF)-nanocages (MOF-NCs) in the form of zinc-based nanoparticles (NPs) were synthesized as drug carriers for the purpose of wound healing. The prepared NCs (single and bi-metallic with silver-MOF) were based on zinc and they were loaded with ascorbic acid (vitamin C) as a model drug which accelerates wound healing. The NCs were then investigated by several characterization techniques such as XRD, TEM, FTIR and BET surface area. Furthermore, the release behavior of the loaded ascorbic acid from the developed NCs was measured in phosphate buffer solution (PBS). NCs antibacterial activity was tested against strain of gram-positive bacteria (Staphylococcus aureus ATCC- 29213, Streptococcus pyogenes ATCC-19615 and Bacillus subtilis ATCC-6633), gram-negative bacteria strain (Pseudomonas aeruginosaATCC-27853and Escherichia coli ATCC-25922) and fungi (Candida albicans ATCC-10231).The physicochemical features of the NCs were confirmed by the results obtained from XRD and FTIR measurements. The particle size of the NCs was confirmed to be in the range of 30-50 nm. Prolonged drug release that was combined with impressive antibacterial activities, and good wound healing rates were also recognized for the zinc based NCs in comparison to commonly used Ag NPs. It is concluded that the current NCs are potentially suitable for wound healing and drug delivery applications.

Cortisol promotes breast-to-brain metastasis through the blood-cerebrospinal fluid barrier.

BACKGROUND: Elevated basal cortisol levels are present in women with primary and metastatic breast cancer. Although cortisol's potential role in breast-to-brain metastasis has yet to be sufficiently studied, prior evidence indicates that it functions as a double-edged sword-cortisol induces breast cancer metastasis in vivo, but strengthens the blood-brain-barrier (BBB) to protect the brain from microbes and peripheral immune cells. AIMS: In this study, we provide a novel examination on whether cortisol's role in tumor invasiveness eclipses its supporting role in strengthening the CNS barriers. We expanded our study to include the blood-cerebrospinal fluid barrier (BCSFB), an underexamined site of tumor entry. METHODS AND RESULTS: Utilizing in vitro BBB and BCSFB models to measure barrier strength in the presence of hydrocortisone (HC). We established that lung tumor cells migrate through both CNS barriers equally while breast tumors cells preferentially migrate through the BCSFB. Furthermore, HC treatment increased breast-to-brain metastases (BBM) but not primary breast tumor migratory capacity. When examining the transmigration of breast cancer cells across the BCSFB, we demonstrate that HC induces increased traversal of BBM but not primary breast cancer. We provide evidence that HC increases tightness of the BCSFB akin to the BBB by upregulating claudin-5, a tight junction protein formerly acknowledged as exclusive to the BBB. CONCLUSION: Our findings indicate, for the first time that increased cortisol levels facilitate breast-to-brain metastasis through the BCSFB-a vulnerable point of entry which has been typically overlooked in brain metastasis. Our study suggests cortisol plays a pro-metastatic role in breast-to-brain metastasis and thus caution is needed when using glucocorticoids to treat breast cancer patients.

Does the augmentation of monetary and non-monetary factors prerequisite for the improvement of health outcomes? Evidence from the Indian states.

The present study was conducted in Indian states to examine the effect of monetary and non-monetary factors on Infant Mortality Rate (IMR) and Life Expectancy at Birth (LEB) by using the panel regression model. In addition, an attempt was also made to analysis the unequal pattern of health infrastructure and services across states over time with the help of a composite index on health infrastructure and services. It was found that the index value of the best performing state Chhattisgarh is more than fourth six times that of the worst performing state. The study also showed that, despite the higher level of average per capita public health expenditure and moderately better health infrastructure, the COVID 19 induced death rate was high in Punjab, Sikkim, Delhi and Goa. The panel regression results revealed that, an average increase of 1% in the monetary factor, public health expenditure to Gross State Domestic Product ratio (PHEGSDPR), would decrease the average of IMR by about 10%. Moreover, the elasticity of IMR with respect to non-monetary factor, health infrastructure and services per 0.1 million population (HISPLP), was negative and significant. Likewise, the explanatory variables, HISPLP and PHEGSDPR have a positive and significant effect on the LEB.

Advancements in modification of membrane materials over membrane separation for biomedical applications-Review.

A comprehensive overview of various modifications carried out on polymeric membranes for biomedical applications has been presented in this review paper. In particular, different methods of carrying out these modifications have been discussed. The uniqueness of the review lies in the sense that it discusses the surface modification techniques traversing the timeline from traditionally well-established technologies to emerging new techniques, thus giving an intuitive understanding of the evolution of surface modification techniques over time. A critical comparison of the advantages and pitfalls of commonly used traditional and emerging surface modification techniques have been discussed. The paper also highlights the tuning of specific properties of polymeric membranes that are critical for their increased applications in the biomedical industry specifically in drug delivery, along with current challenges faced and where the future potential of research in the field of surface modification of membranes.

Rosaniline Hydrochloride Encapsulated MCM-48: Fluorescent and Electrochemical Sensor for Dopamine.

The dye Rosaniline hydrochloride (RANH) has been successfully incorporated in MCM-48 (designated as RANH@MCM-48) and characterized by various spectroscopic methods including FT-IR, SEM, EDX and N2 adsorption-desorption isotherm. RANH@MCM-48 in aqueous medium acts as fluorescence "on" sensor for neurotransmitter dopamine (DA) in presence of its main biological interfering agent ascorbic acid or vitamin c (AA) along with Glucose, Cholesterol and Uric acid (UA). The limits of detection (LOD) were found to be 65 nM and 51 nM respectively in absence and in presence of AA. The interaction of DA to RANH@MCM-48 is found to be reversible with respect to EDTA2-. The fluorescence intensity vs. pH plot shows a narrow fluorescence window of 7.2 to 8.8. RANH@MCM-48 has been successfully applied for DA detection in artificial cerebrospinal fluid (ACF) and bovine serum albumin (BSA) with LOD values 27 nM and 22.5 nM respectively. Platinum disc electrode has been modified with RANH@MCM-48 which showed distinct oxidation peaks with a separation of 0.188 V in cyclic voltammetry (CV). The LOD for DA in presence of AA determined from oxidation current is 77.5 nM. The voltammetric detection of DA is found to be free from common interfering species Na+, K+, Ca2+, Fe2+, UA, Cholesterol and Glucose. RANH@MCM-48 has been found to be a very effective fluorescence and voltammetric sensor for DA with very low  LOD.

Improving the assessment of polluted sites using an integrated bio-physico-chemical monitoring framework.

Soil - water pollution resulting from anthropogenic activities is a growing concern internationally. Effective monitoring techniques play a crucial role in the detection, prevention, and remediation of polluted sites. Current pollution monitoring practices in many geographical locations are primarily based on physico-chemical assessments which do not always reflect the potential toxicity of contaminant 'cocktails' and harmful chemicals not screened for routinely. Biomonitoring provides a range of sensitive techniques to characterise the eco-toxicological effects of chemical contamination. The bioavailability of contaminants, in addition to their effects on organisms at the molecular, cellular, individual, and community level allows the characterisation of the overall health status of polluted sites and ecosystems. Quantifying bioaccumulation, changes to community structure, faunal morphology, behavioural, and biochemical responses are standard procedures employed in biomonitoring studies in many High-Income Countries (HICs). This review highlights the need to integrate biomonitoring tools alongside physico-chemical monitoring techniques by using 'effect-based' tools to provide more holistic information on the ecological impairment of soil-water systems. This paper considers the wider implementation of biomonitoring methods in Low to Middle Income Countries (LMICs) and their significance in pollution investigations and proposes an integrated monitoring framework that can identify toxicity drivers by utilising 'effect-based' and 'risk-based' monitoring approaches.

Oil Spill Sorber Based on Extrinsically Magnetizable Porous Geopolymer.

Environmental impacts are increasingly due to the human polluting activities. Therefore, there is a need to develop technologies capable of removing contamination and driving the impacted environment as close as possible to its inherent characteristics. One of the major problems still faced is the spill of oil into water. Therefore, to solve the environmental problem, this work shows the use of magnetically modified geopolymer materials as an oil remover from water with a magnet's aid. The results obtained were outstanding since the average intrinsic oil removal capability (IORC) was 150 g/g. The presented IORC is the largest found in the materials produced by our research group, constituting an extremely encouraging result, mainly because of the ease of preparing the magnetic geopolymer system. Furthermore, the low cost of production and the material's capability to be reused as filler of polymer or even cementitious matrices allows us to project that this nanocomposite can be widely used, constituting an economically viable alternative for more efficient environmental recovery processes.

Fluorescent Sensors for Hg2+ and Cu2+ Based on Condensation Products of 4H-1,2,4 Triazole-4-Amine and Carboxylated Benzoic Acids.

Mercury (Hg) causes serious health issues in its all forms. Deficiency as well as excess of copper ion (Cu2+) in human body is hazardous. A series of four compounds have been derived from carboxylated benzoic acids (benzoic acid, isophthalic acid, terephthalic acid and phthalic acid) and 4H-1,2,4 triazole-4-amine and characterized. Fluorescence detection of Hg2+ was recorded by the derivates with benzoic acid and isophthalic acid while the derivatives of terephthalic acid and phthalic acid detect Cu2+ by fluorescence "off" mode. Metal ions like Li+, Na+, K+, Zn2+, Al3+, Mg2+, Mn2+, Co2+, Ni2+, Cu2+, Cd2+, Pb2+ and Hg2+ found not to interfere. The stoichiometry of binding is 1:1 for the benzoic acid derivative with Hg2+ while it is 1:2 for the other three derivatives. The binding constants are ca. 10-4.5 between the sensors and Hg2+ or Cu2+ and detection limits are around 10-5.5 M. DFT calculation provided optimized geometries of the sensors and confirmed the stoichiometry of binding with Hg2+/Cu2+.