Publikační záznamy NTC

Permanent URI for this collection

http://hdl.handle.net/11025/59115

Browse

Showing 1 - 20 out of 210 results

Chitosan and its derivatives as nanotheranostics in multiple diseases management: a clinical perspective
(2025) Rani, Komal; Malik, Ankit Kumar; Setia, Aseem; Randhave, Nandini Vinodrao; Verma, Nidhi; Kumar, Vikas; Vaishali, .; Deshmukh, Kalim Abdul Rashid; Muthu, Madaswamy S.
Chitosan, a biopolymer derived from chitin, has garnered substantial scrutiny in recent times, attributable to its versatile properties, including biodegradability, biocompatibility, and non-toxicity. These characteristics make it an ideal candidate for various medical applications, particularly in the field of nanomedicine. This review explores the emerging role of chitosan and its derivatives in nanotheranostics, which combines therapeutic and diagnostic modalities for the treatment of multiple diseases. The prospect of chitosan-based nanoparticles in the delivery of drugs, vector delivery, imaging, and disease monitoring has been extensively explored. The modification of chitosan with various functional groups, such as chitosan oligosaccharides, thiolated chitosan, carboxymethyl chitosan, glycol chitosan and other derivatives, enhances its pharmacokinetic properties, targeting capabilities, and therapeutic efficacy. Chitosan-based nanocarriers have shown potential in treating various conditions, including cancer, inflammation, infectious diseases, and neurodegenerative disorders, by improvingthe solubility of drugs, stability, and controlled release. Additionally, chitosan has a theranostic role in imaging approaches such as optical imaging, ultrasound, and photoacoustic imaging, facilitating early diagnosis and monitoring of therapeutic responses. This review also addresses the disputes and future perceptions for the development of chitosan-based nanotheranostics, including issues related to scalability, regulatory approval, and long-term safety.
Materials for aluminum batteries: Progress and challenges
(2025) Nandi, Sunny; Pumera, Martin
Aluminum battery technologies, including Al-air, Al-ion, and Al-sulfur (Al-S), are considered promising energy storage systems because of their high theoretical capacity, abundance of resources, low cost, and environmental friendliness. Despite these benefits, there are still some critical challenges such as the formation of passivation layers, anodic corrosion, poor electrochemical performance, the polysulfide shuttle effect, and unwanted side reactions occurring between the electrolyte and the metal anode. In order to tackle these challenges, various strategies have been explored, including Al-alloys and composites, advanced cathode materials, and electrolytes. In this review, we will provide a comprehensive overview of the development of various Al-batteries, beginning with anodes, cathodes, and electrolytes. We have divided Al-batteries into three primary categories: Al-air batteries, Al-ion batteries, and Al-S batteries. The categorization was carried out on the basis of the electrochemical reactions that take place on the cathode side during the charge–discharge process. Furthermore, we provide insights into the remaining technical challenges that need to be addressed in order to get this technology from laboratory concept to practical application.
Chitosan based smart injectable hydrogels for biomedical applications: A comprehensive review
(2026) Salamat, Qamar; Moradi, Rasoul; Nadizadeh, Zahra; Kavehpour, Pirouz; Soylak, Mustafa; Asimov, Ahmet; Rahman, Md. Zillur; Kovářík, Tomáš; Babuška, Václav; Deshmukh, Kalim Abdul Rashid
Chitosan-based smart injectable hydrogels (CS-SIHs) have emerged as multifunctional platforms for drug delivery, regenerative medicine, and tissue engineering (TE), owing to their inherent biocompatibility, biodegradability, and responsiveness to external stimuli such as pH, temperature, and ionic strength. These smart hydrogels offer controlled, localized therapeutic release and mimic the extracellular matrix (ECM), thereby fostering cell adhesion, proliferation, and differentiation. In clinical applications such as bone regeneration, cartilage repair, and chronic wound healing, CS-SIHs can be encapsulated with various therapeutic agents, including proteins, nucleic acids, and small molecules, facilitating minimally invasive delivery. Recent studies have been more focused on developing CS-SIHs with enhanced bioactivity, mechanical integrity, and adaptability to dynamic microenvironments. This review provides an in-depth analysis of novel CS-SIH formulations and their potential therapeutic applications, as well as a comprehensive overview of recent preclinical and translational studies. Additionally, this investigation explores the challenges of clinical translation, including regulatory hurdles and scalability concerns. This work distinguishes itself by systematically integrating the physicochemical properties, intelligent response mechanisms, crosslinking strategies, and biomedical applications of CS-SIHs, offering a coherent framework for future research and development in the field of biomedical engineering.
Anode Free Zinc-Metal Batteries (AFZMBs): A New Paradigm in Energy Storage
(2025) Nandi, Sunny; Pumera, Martin
In the past few years, aqueous zinc-metal batteries (ZMBs) have gained much attention and can be regarded as a potential alternative to lithium-metal batteries owing to their high safety, nature of abundance, and environmental sustainability. However, several challenges persist, including dendrite formation, corrosion, and unwanted side reactions, before ZMBs can be fully utilized in practical applications. To circumvent these issues, anode free zinc-metal batteries (AFZMBs) have emerged as a next-generation energy storage system. This review provides a comprehensive analysis of recent developments in AFZMBs, including their working mechanisms, advantages over conventional ZMBs, and the challenges for practical implementation. It also highlights the key strategies, including current collector modification, electrolyte engineering, and 3D printing techniques to enhance zinc deposition uniformity and cycling stability. The review also explores how 3D printing technology can revolutionize the design of advanced current collectors and zinc-rich cathodes, optimizing material utilization and enhancing battery performance. Finally, with a future perspective of AFZMBs is concluded, highlighting the need for further research to address existing bottlenecks and fully unlock their potential for next-generation energy storage.
Methodology for fast testing of carbon-based nanostructured 3D electrodes in vanadium redox flow battery
(2024) Halada, Štěpán; Láznička, Václav; Němec, Tomáš; Mazúr, Petr; Charvát, Jiří; Slouka, Zdeněk
Progress in material chemistry is manifested daily by the variety of prepared functional materials, often with nanodimensional structuring. The electrodes for vanadium redox flow batteries have been shown to benefit from incorporating nanostructured materials such as carbon nanotubes. However, the methods of such incorporation are far from optimal, relying mainly on physical deposition or insertion into a binder. Here, we describe a technique for integrating carbon-based rod-like nanomaterials into a vanadium redox flow battery and a methodology for fast nanomaterial performance testing. The technique is based on creating a fixed nanomaterial bed sandwiched between two graphite felt electrodes, forming a 3D flow-through electrode in the battery. Performing various positive and negative control experiments, we show the beneficial effect of a nanostructured bed on the primary battery characteristics obtained from short-term electrochemical experiments. We characterize carbon nanotubes exhibiting promising electrochemical behavior in vanadium electrolytes, as observed in our previous study. The load curves obtained from charge-discharge steps at various current densities and electrolyte flow rates revealed considerable differences in the performance of the tested materials, with few-walled carbon nanotubes reaching unsurpassable characteristics. At room temperature, with 50%-SOC-working solutions and the highest tested linear velocity of 14.6 cm/min, the evaluated power density for this material reached values above 500 mW/cm2. For comparison, thermally treated graphite felt, used as a benchmark material, provided a power density of around 300 mW/cm2 under identical conditions. Although developed for vanadium redox flow batteries, the method enables testing tube-like and rod-like (nano-)materials for flow electrochemical systems.
Development of high-performance and cost-effective electrode assembly for redox flow batteries
(2025) Richtr, Přemysl; Gerber, Tobias; Fischer, Peter; Charvát, Jiří; Ress, Christian; Noack, Jens; Hage, Björn; Svoboda, Miloš; Gráf, David; Beneš, Jan; Mazúr, Petr
Redox flow batteries (RFBs) offer promising solutions for safe and durable stationary energy storage; however, high capital expenditures (CAPEX) hinder their commercialization. We developed a method for low-contact resistance welding of carbon-polymer composite plates to graphite felt electrodes and copper current collectors. Using our own extruded carbon-polymer composite plate with low carbon filling, we optimized two manufacturing methods: traditional hot-press and novel microwave welding. Electrode assembly samples were characterized by dry electric resistance measurements at compression ratios (CR) of 5-45 %, complex microstructural analysis via X-ray micro-computed tomography and scanning electron microscopy, and electrochemical characterization in a lab-scale vanadium RFB using voltammetry techniques, electrochemical impedance spectroscopy, and galvanostatic charge-discharge cycling both in a single-cell and two-cell stacks. Hot-press welding significantly improved overall battery performance by reducing contact resistance up to 2.5 times compared to non-welded assemblies. At 10 % CR, the performance of developed assemblies matched commercial unbonded materials at 20 % CR, using a carbon-polymer composite plate with higher conductive filler content. Achieved stack parameters included area-specific resistance of 2.1 Omega cm2 per cell and energy efficiency of 86.9 % at 40 mA cm-2. Developed electrode assemblies remained stable after 800 cycles. Microwave welding enabled faster production of electrode assemblies with similar performance to hot-press welded ones. The developed electrode assemblies, based on low-filled carbon-polymer composite plate may substantially reduce battery stack costs and assembly complexity, leading to lower levelized cost of storage and more reproducible RFB fabrication.
Dual electrode-free Zn-MnO2 battery as a future energy source
(2026) Nandi, Sunny; Pumera, Martin
Aqueous rechargeable Zn-MnO2 batteries are considered one of the most promising energy storage systems and have been extensively studied in recent years, owing to their high energy density, low cost, and intrinsic safety. However, the practical application of conventional Zn-MnO2 batteries is hindered by poor cycling stability, corrosion, and unwanted side reactions. Recently, dual electrode-free Zn-MnO2 batteries have emerged as a promising alternative. Their simplified battery configurations and lightweight design, achieved by eliminating the need for pre-fabricated bulk electrodes, offer higher energy density. Nevertheless, such designs can, in principle, suffer from limited cycle life due to the poor reversibility of the Zn-MnO2 deposition/stripping process. This review critically examines recent advances aimed at overcoming these challenges, highlighting the transition from conventional to anode-free, cathode-free, and ultimately dual electrode-free configurations. We also present key strategies including electrolyte engineering, current collector modification via 3D printing, and interfacial engineering to enable stable long-term cycling, along with insights from advanced in situ characterization techniques such as electrochemical quartz crystal microbalance (EQCM) and optical microscopy. Finally, we outline future opportunities required to advance this promising field toward practical applications.image
Exploring the electrochemistry of Al3+ ion in amorphous Bi4V2O11 for rechargeable aqueous aluminum-ion battery
(2025) Nandi, Sunny; Sonigara, Keval K.; Pumera, Martin
Amorphous materials are receiving considerable interest in rechargeable batteries, primarily due to their inherent isotropic properties and abundant defects, which facilitates ion diffusion and make them highly suitable for rechargeable batteries. However, there is a significant lack of study on amorphous materials for rechargeable aqueous aluminium-ion batteries. Herein, we investigate the electrochemical activity of amorphous Bi4V2O11 for Al3+ ion storage in aqueous electrolyte for the first time. Through experimental analysis, we demonstrate that amorphous Bi4V2O11 is highly feasible in storing Al3+ ions compared to crystalline Bi4V2O11 in an aqueous electrolyte. A stable discharge capacity of 119 mAh g-1 is achieved over 200 cycles in 1 M Al(ClO4)3 aqueous electrolyte at a current rate of 1000 mA g- 1 , along with an excellent rate capability. In contrast, crystalline Bi4V2O11 only delivers 59 mAh g-1 of discharge capacity at the same current rate. Ex-situ XRD, SEM, and XPS investigations offer insights into the possible storage mechanism. Overall, this work not only indicates the suitability of amorphous Bi4V2O11 as a reliable electrode material for aluminum-ion battery but also offers valuable insights for the development of other high-capacity and long-lasting aqueous batteries utilizing amorphous materials.
Layered MXene-transition metal oxide nanocomposite revealing its versatility in methanol oxidation and PVA/KOH hydrogel-based symmetric supercapacitor
(2025) Baruah, K.; Nandi, Sunny; Singh, A.K.; Pershaanaa, M.; Ramesh, K.; Ramesh, S.; Deb, P.
To find a solution to the global energy demand, efficient energy production and storage devices are utmost required. Taking advantage of the unique combination of hydrophilicity and conductivity of MXene, a bifunctional nonnoble metal-based electrode NiCo2O4/NiO/MXene (CNOT) is developed. Low conductivity and aggregation of transition metal oxides are compensated by making a hybrid of NiCo2O4/NiO with MXene. CNOT, as an anode catalyst in direct methanol fuel cell (DMFC), offers methanol oxidation reaction current density of 15 A/g and low onset potential. Symmetric supercapacitor developed using CNOT in 3 M KOH solution offers 0.9 V potential window, and 32.66 Fg − 1 specific capacitance at 2.5 A/g. Whereas, symmetric supercapacitor CNOT//CNOT in PVA/KOH hydrogel polymer electrolyte provides a broader window of 1.4 V, with specific capacitance of 87.331 Fg − 1 , and very high energy and power density of 23.77 Wh/kg and 1808.87 W/kg, respectively, at 2.5 A/g. The hydrogel polymer electrolyte (PVA/KOH) outperforms aqueous 3 M KOH by providing a larger window, higher capacitance, excellent energy and power density. Thus, the hybrid electrode provides synergistic effects of the electro-active NiCo2O4, NiO and MXene nanosheets and exhibits versatility in DMFC and symmetric supercapacitor.
Designing a high-performance electrode leveraging dual-material synergy in a nanoarchitectural framework: Progressing towards supercapacitors with enhanced energy density
(2025) Sivakumar, Periyasamy; Raj, C. Justin; Subramanian, Palaniappan; Savariraj, Antonysamy Dennyson; Manikandan, Ramu; Jung, Hyun
Exploring highly electroactive electrode materials with compatible nanostructures, tunable properties, and strong conductive networks is vital for supercapacitors (SCs). However, comprehending this complex area remains a significant challenge. In this work, we report the synthesis of a hierarchical NiCo2O4@NiMoO4 (NCO@NMO) hybrid nanoarchitecture utilizing a cost-effective hydrothermal approach and subsequentannealing. This is achieved through facile and scalable in situ fabrication techniques that yield an electrode material suitable for advanced high-energy hybrid supercapacitors (HSCs). The unique hybrid nanoarchitecture is engineered to provide an effective, open-porous framework that facilitates ion diffusion and enables rapid electron transport. The NCO@NMO hybrid nanoarchitecture electrode exhibits a battery-type redox mechanism, achieving a peak specific capacitance of 1984 F g􀀀 1 at a current density of 1 A g􀀀 1 in an aqueous electrolyte, surpassing the performance of its individual components. Enhanced electrochemical performance is achieved by increasing the density of electroactive sites and conductivity through surface modifications, thereby facilitating rapid redox kinetics. Notably, the fabricated HSC device, with a configuration of NCO@NMO//activated carbon, demonstrates an impressive power density of 42.56 kW kg􀀀 1, complemented by an energy density of 75.04 Wh kg􀀀 1, and exhibits excellent cyclic stability, retaining up to 89.62 ± 1.19 % of its capacitance, even after 20,000 cycles. The high energy density and considerable cyclic stability are comparatively higher than those of conventional SCs and even approach the values of commercial batteries.
Electrochemical Nitrogen Fixation Using CeFeO3 and CeO2 for Ammonia Synthesis and Nitrate Remediation
(2025) Ebenezer, James; Velayudham, Parthiban; Schechter, Alexander
In the pursuit of sustainable ammonia synthesis and nitrate remediation, electrochemical nitrate reduction to ammonia (eNO(3)RR) emerges as a promising alternative to the carbon-intensive Haber-Bosch process, which emits 1.6-2.0 tons of CO2 per ton of ammonia. Powered by renewable energy, the eNO(3)RR offers reduced emissions and energy consumption but faces challenges in catalytic activity and product selectivity due to its complex mechanism. To address these issues, CeFeO3 supported CeO2 composites were synthesized via a microwave polyol method with varying Ce:Fe atomic ratios and comprehensively characterized. Electrochemical analysis revealed that pure CeO2 achieved a high ammonia yield rate of 4040.5 +/- 262.5 mu g h(-1) cm(-2) but with a lower Faradaic efficiency (FE) of 52.8 +/- 2.8% at -0.45 V-RHE in 0.1 M KOH with 0.1 M NO3-. Introducing CeFeO3 into CeO2 enhanced FE significantly, reaching a maximum of 80.1 +/- 3.3% with an ammonia yield rate of 3223.9 +/- 168.3 mu g h(-1) cm(-2). Parasitic hydrogen evolution accounted for only 4.9 +/- 0.9% FE, while hydroxylamine and nitrite, key intermediates, contributed 8.3 +/- 1.2% and 6.7 +/- 0.9%, respectively. Stability was demonstrated over 25 one hour cycles (25 h total) at -0.45 V-RHE with electrolyte replacement. The intrinsic perovskite structure of CeFeO3, facilitating electron exchange via oxygen vacancies, underpinned the improved performance. H-2-NO3- fuel cell studies showed 74.6% thermodynamic efficiency at a current density of 29.7 mA cm(-2) at 0.46 V. This study underscores CeFeO3/CeO2 composites' potential for sustainable ammonia production and environmental remediation
MOF-derived nickel cobaltite: a pathway to enhanced supercapacitor performance
(2025) Sivakumar, Periyasamy; Balamurugan, Jayaraman; Raj, C. Justin; Subramanian, Palaniappan; Savariraj, Antonysamy Dennyson; Manikandan, Ramu; Jung, Hyun
A streamlined design for nanoarchitecture can substantially enhance the performance of battery-type electrodes, leading to advanced hybrid supercapacitors (HSCs) with improved redox properties. Metal-organic frameworks (MOFs) are promising for electrochemical energy storage; however, they often suffer structural damage during calcination. We present a method to fabricate hierarchically layered sheet-like NiCo2O4 (NCO) nanostructures from MOFs. These nanostructures facilitate improved electron and ion transport while offering numerous electroactive sites. As supercapacitor electrodes, they exhibit a high specific capacity (similar to 597 mA h g-1 at 1 A g-1) and notable rate capability (69.2% retention). The NCO//AC HSC demonstrates a broad voltage window, a specific capacitance of similar to 152 F g-1 at 1 A g-1, a high energy density (similar to 47.3 W h kg-1 at similar to 908.2 W kg-1), and excellent cycle stability (similar to 90.8% retention after 10 000 cycles). This approach is both cost-effective and scalable for commercial energy storage applications.
Unveiling high-pressure investigation of BeX (X = S, se, and Te): A DFT-base exploration of phonon spectra, molecular dynamics, optical responses, and thermodynamic stability for advance optoelectronic applications
(2026) Shahzad, Muhammad; Azam, Sikander; Ahmad, Syed Awais; Li, Ming
In this study, we focus on the structure, electronic, optical and thermodynamic properties of BeX (X = S, Se, Te) under hydrostatic pressure changes from 0 to 10 GPa. The computations were made through the Generalized Gradient approximation (GGA) and Perdew-Burke-Ernzerhof functional (PBE) utilizing the CASTEP code. It was demonstrated through phonon dispersion studies that the three compounds maintain their dynamic stability at all applied pressures because imaginary frequencies were absent everywhere in the Brillouin zone. Our study revealed that pressure puts stress on all the materials studied and BeS still maintains the prevalent electronic bandgap. Different optical properties such as dielectric functions, absorption spectra, reflectivity and energy loss, were studied in detail for photon energies less than 30 eV. Analysis of optical absorption spectra indicates significant optical activity with maximum photon absorption occurring in UV region. Furthermore, thermodynamic properties like Debye temperature, heat capacity and entropy were studied. When the pressure goes up, atoms move less and therefore heat capacity decreases. When there is constant pressure, the slope of the Gibbs free energy curve tilts slightly greater which reveals a steady variation of entropy with temperature. The findings confirm that BeX (X = S, Se, Te) has enhance thermodynamic properties and Suggest promising applications in optoelectronics, thermoelectric and thermal barriers, especially in pressure dependent optoelectronic devices.
Unveiling binder-free hierarchically interlinked MoS2 nanosheet integrated Co9S8 nanosheet in a nanohybrid architecture framework coupled with in-situ anion exchange engineering from its corresponding oxygen counterparts for advanced supercapacitor
(2025) Sivakumar, Periyasamy; Raj, C. Justin; Subramanian, Palaniappan; Savariraj, Antonysamy Dennyson; Manikandan, Ramu; Jung, Hyun
Engineering hybrid nanoarchitecture materials, which feature meticulously designed hierarchical frameworks and components, represents a highly effective approach to meeting the demanding performance requirements of supercapacitors (SCs). Herein, we present a simple and affordable anion exchange strategy to tailor a unique, multifaceted transition metal chalcogenide of MoS2 integrated with Co9S8 (CMS) nanohybrid hierarchical framework grown on a porous Ni-foam substrate, serving as a free-standing electrode for SC. It examines the effect of anion exchange processes on electrochemical performance, demonstrating significant enhancements in various metrics. The CMS nanohybrid material exhibits a hierarchical architecture along with outstanding intrinsic conductivity, which collectively enhances its electrochemical performance and ion/charge transfer efficiency. This improvement is attributed to the synergistic effects of the component, which facilitate more efficient electrochemical reactions and mitigate the volume expansion associated with charging and discharging. Interestingly, the CMS nanohybrid electrode exhibits an impressive specific capacitance of ∼1325 F g−1 at a current density of 1 A g−1, along with a substantial rate capability of ∼63.6 % at 20 A/g, significantly surpassing those of their hybrid metal oxide counterparts. Additionally, the hybrid supercapacitor comprising CMS and activated carbon achieved a specific capacitance of ∼246 F g−1 at a current density of 1 A g−1, a maximum energy density of ∼76.73 Wh kg−1, and a power density of ∼19.06 kW kg−1, while maintaining ∼91.7 % cycling stability after 12,000 cycles. Thus, this work could provide a framework for integrating advanced bimetallic chalcogenides to enhance energy storage performance.
Peroxide-Driven Nitrogen Fixation Reactions for Energy Storage Applications
(2025) Ebenezer, James; Velayudham, Parthiban; Schechter, Alexander
Electrochemical nitrogen fixation offers a sustainable and environmentally friendly alternative to conventional ammonia synthesis, yet it currently faces significant challenges in terms of energy efficiency, catalytic activity, and economic feasibility. Here, this work presents a novel peroxide-mediated dual-step strategy designed to efficiently address these challenges using advanced energy materials. Ruthenium oxide and cobalt phthalocyanine catalysts facilitate simultaneous hydrogen peroxide formation and nitrogen oxidation to nitrate (NO3-$\rm{NO}_{3}<^>{-}$) at an exceptionally low potential of 0.1 V versus RHE, achieving a nitrate yield of 71.1 +/- 4.2 mu g h-(1) cm-2 and a Faradaic efficiency (FE) of 2.1 +/- 0.4%. Subsequently, the in situ generated NO3-$\rm{NO}_{3}<^>{-}$ is electrochemically reduced to ammonia (NH3) at -0.35 V, delivering an impressive NH3 yield of 147.2 +/- 13.7 mu g h-(1) cm-2 with 13.8 +/- 1.7% FE. This combined approach significantly outperforms traditional direct electrochemical nitrogen reduction methods, enhancing ammonia yield approximate to 30-fold. Furthermore, a detailed techno-economic analysis demonstrates substantial economic advantages, significantly reducing ammonia production costs compared to direct nitrogen reduction. Although this system remains somewhat more expensive than direct nitrate reduction, the latter faces inherent challenges such as limited substrate availability and preprocessing requirements. This work advances sustainable ammonia synthesis by introducing a highly effective catalytic strategy integrated with meaningful energy and economic considerations.
Controlling the Activity, Stability, and Regeneration of Copper-Chalcogenide Catalysts in Ammonia Electro-Oxidation
(2025) Cleetus, Annie; Teller, Hanan; Schechter, Alexander
This study explores innovative electrocatalysts for the selective electrochemical oxidation of ammonia to nitrogen, a crucial process in analytical and energy fields. Copper sulfides and selenides, synthesized via hydrothermal methods, were tested as electrocatalysts in alkaline conditions. Potentiodynamic measurements indicated that CuS demonstrated the highest activity for ammonia oxidation (5.8 mA/mg at 20 mV/s) compared to other catalysts. All catalysts predominantly produced N2, with minor nitrite concentrations detected. However, CuS showed a dramatic 97% decrease in peak current density after 14 h of continuous operation. To recover its activity, sulfur-enrichment treatments were applied using Na2S solutions. Chemical treatment successfully restored 90% of the lost activity, while electrochemical treatment nearly doubled the activity of the untreated electrode, reaching a peak current density of 19 mA/mg, comparable to platinum. XRD and XPS analyses revealed multiple copper oxidation states, highlighting the significance of Cu2S and CuS in enhancing both activity and stability.
First-principles investigation of Rb2CaH4 and Cs-doped Rb2CaH4: Unveiling their potential for hydrogen storage through mechanical and optoelectronic properties
(2025) Azam, Sikander; Rafiq, Qaiser; Elsharkawy, Eman Ramadan; Khan, Muhammad Tahir; El-Bahy, Salah M.; Khan, Wilayat; Khan, Saleem Ayaz
This study uses the density functional theory (DFT) approach with GGA-PBE to assess the effect of substituting alkali metals in Rb2CaH4 and Cs-doped Rb2CaH4 on their hydrogen storage potential. To address the challenges associated with predicting accurate electronic properties in materials containing heavier elements such as cesium, spin-orbit coupling (SOC) effects have been incorporated into our calculations. The mechanical robustness of both Rb2CaH4 and Cs-doped Rb2CaH4, as demonstrated by their mechanical properties, highlights these materials as promising candidates due to their stability in hydrogen storage applications. Anisotropic factors show that all materials exhibit anisotropy, suggesting a directional dependency in their properties. The Pugh ratio indicates that Rb2CaH4 and Cs-doped Rb2CaH4 are brittle materials. Based on the calculated band gap, the electronic band structure analysis, conducted using both HSE06 and GGA-PBE, shows that Rb2CaH4 and Cs-doped Rb2CaH4 are wide-bandgap materials. Rb2CaH4 and Cs-doped Rb2CaH4 exhibit the highest optical conductivity, absorption coefficient, and energy loss function among optoelectronic materials, emphasizing their superior absorption and electron transfer capabilities. The hydrogen storage capacity has been evaluated for practical applications; Rb2CaH4 and Cs-doped Rb2CaH4 show the highest gravimetric and volumetric capacities.
Recent advances in glycated hemoglobin test methods: From lab to point of care testing devices
(2025) Lakhera, Praveen; Chaudhary, Vikas; Kush, Preeti; Kumar, Parveen; Ughade, Yash; Agrawal, Labi; Patel, Gautam; Deshmukh, Kalim Abdul Rashid
Globally, the threat of diabetes mellitus causes health issues and economic burdens on families. Glycated hemoglobin (HbA1c) is an internationally recommended and reliable gold-standard marker to assess the presence and severity of diabetes. It can be measured using both lab-based standard tests and point-of-care testing (POCT) devices. This review explores published literature from 2018 to July 2025 across Scopus, PubMed Central, Google Scholar, Science Direct, and PubMed, using various keywords such as HbA1c detection, diabetes, POCT devices, artificial intelligence (AI), and biosensors. Some sources, including letters to editors, encyclopedias, conference materials, abstracts, and proceedings, were excluded. It covers the history and standardization of HbA1c, as well as recent advances in testing techniques, including standard laboratory methods, various biosensors (electrochemical, optical, electrochemiluminescent, mass-based, and colorimetric), and cutting-edge approaches like colorimetric, fluorescent assays, and chip-based techniques. Additionally, AI-based methods (deep learning and machine learning) are discussed for predicting HbA1c levels. The review highlights technological developments and concludes with a comparative evaluation of publicly available POCT devices. It also details the process flow from ideation to lab testing, approval, and recognition by medical agencies worldwide. Furthermore, this work can serve as a useful resource for understanding different technology readiness levels. Based on this study, POCTs are increasingly essential, but a solid understanding of detection methods is necessary for working in this field. Moreover, integrating mobile apps with deep machine learning algorithms and AI, microfluidics/lab-on-chip systems, various methods, wearable sensors, and the Internet of Wearable Things (IoWT) can enhance analytical performance and automation.
Fluorescent carbon nanoparticles for drug delivery applications
(Elsevier, 2024) Acharya, Biswajeet; Behera, Amulyaratna; Deshmukh, Kalim Abdul Rashid; Moharana, Srikanta
Synthesis methods of fluorescent carbon nanoparticles
(Elsevier, 2024) Gadtya, Ankita Subhrasmita; Sahu, Bibhuti B.; Deshmukh, Kalim Abdul Rashid; Moharana, Srikanta

Browse

Recent Submissions