Article
Multidisciplinary Sciences
Dhirendra Sahoo, Sushreesangita P. Behera, Jyoti Shakya, Bhaskar Kaviraj
Summary: This study proposes a simple and economical method for synthesizing luminescent MoS2 nanocrystals and evaluates their potential applications in lung cancer cells.
Review
Chemistry, Multidisciplinary
Seokhwan Chung, Richard A. Revia, Miqin Zhang
Summary: Graphene quantum dots (GQDs) have excellent properties for various applications in nanomedicine. Recent research focuses on their physicochemical, electronic, magnetic, and biological properties, discussing their use in bioimaging and therapy, as well as technical progress in GQDs synthesis.
ADVANCED MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Li Xu, Wei Fu, Lei Bao, Guanglin Wang, Wanping Wang, Wei Wang, Kun Xiang, Nengmei Deng, Xucheng Fu, Juncheng Jin
Summary: Homogeneous photoluminescent MoS2 QDs were successfully produced using structurally stable MOF MIL-101 as limited nanoreactors, opening up a new route for fabricating other photoluminescent QDs and their derived nanomaterials.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Emel Kirbas Cilingir, Meghana Sankaran, Jordan M. Garber, Frederic Anthony Vallejo, Mattia Bartoli, Alberto Tagliaferro, Steven Vanni, Regina M. Graham, Roger M. Leblanc
Summary: Carbon dots (CDs) have gained attention for their biocompatibility and tunable photoluminescence, but further analysis is needed before their use in clinical trials. A new type of carbon nitride dot (CND) has been found to selectively uptake cancer cells due to structural similarities with glutamine. The study investigates the effects of surface structural differences on the cellular uptake of CNDs and finds that the uptake mechanism is linked with ASCT2 and LAT1 transporters. CNDs show promise for selective cancer cell targeting by utilizing highly expressed transporters on cancer cells.
Article
Materials Science, Multidisciplinary
Zhipeng Dong, Nanxia Zhang, Jiahao Zhang, Jun Luo, Yisong Xu, Weifang Tang, Baofen Ye, Yue Wang
Summary: Metal-containing nanomaterials have diverse compositions and structures, making them attractive for various applications. In this study, we modified dendritic polyethylene glycol on a folate-nickel nanotube to create a new type of metal-containing nanotube, PEG-FA-Ni NTs. These nanotubes exhibited excellent antitumor activity comparable to commonly used drugs, and may achieve optimal antitumor effects by damaging DNA, blocking cell cycle, and inducing apoptosis. The results suggest that PEG-FA-Ni NTs could be a promising nanomedicine for cancer therapy.
JOURNAL OF MATERIALS SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Amit Fischer, Pu Zhang, Yu Ouyang, Yang Sung Sohn, Ola Karmi, Rachel Nechushtai, Eli Pikarsky, Itamar Willner
Summary: In this study, the assembly of ATP and miRNA-responsive DNA tetrahedra-functionalized carboxymethyl cellulose hydrogel microcapsules is presented. The microcapsules are selectively unlocked and release the loaded drugs in the presence of ATP or miRNA-141. The functionalized microcapsules with DNA tetrahedra nanostructures exhibit superior permeation into cells, particularly breast cancer cells. The stimuli-responsive, drug-loaded, DNA tetrahedra-modified microcapsules show superior and selective cytotoxicity toward cancer cells.
Article
Chemistry, Multidisciplinary
Wenjie Zhou, Zhe Hu, Jinxin Wei, Hanqing Dai, Yuanyuan Chen, Siyu Liu, Zhongtao Duan, Fengxian Xie, Wanlu Zhang, Ruiqian Guo
Summary: This review summarizes the recent advances in quantum dots-hydrogel composites and their biomedical applications, as well as the challenges in design optimization and future development. The findings of this study provide critical insights and inspiration for future researchers.
CHINESE CHEMICAL LETTERS
(2022)
Article
Oncology
Ganji Seeta Rama Raju, Begum Dariya, Sathish Kumar Mungamuri, Gayathri Chalikonda, Sung-Min Kang, Ishaq N. Khan, Pinninti Santosh Sushma, Ganji Purnachandra Nagaraju, Eluri Pavitra, Young-Kyu Han
Summary: Cancer is a deadly disease with limitations in traditional therapies. Nanotechnology, as an emerging science, provides more effective cancer treatments by overcoming biomedical and biophysical barriers.
SEMINARS IN CANCER BIOLOGY
(2021)
Article
Chemistry, Applied
B. N. Kumara, R. Shambhu, Ashwini Prabhu, K. Sudhakara Prasad
Summary: This study reports the design of highly efficient and biocompatible nanocomposites for drug delivery and tracking. A proof-of-concept was demonstrated for the delivery of an anti-glaucoma drug using a novel nanocomposite, with successful drug delivery and intercellular tracking observed. The nanocomposite also showed excellent cell viability and protected cells from oxidative injury.
CARBOHYDRATE POLYMERS
(2022)
Review
Pharmacology & Pharmacy
Oluwasegun Chijioke Adekoya, Gbolahan Joseph Adekoya, Emmanuel Rotimi Sadiku, Yskandar Hamam, Suprakas Sinha Ray
Summary: Drug delivery systems are important for targeted drug delivery throughout the body. The use of density functional theory (DFT) in computational material science has greatly aided the design and development of these systems, allowing for more efficient and accurate predictions. This review discusses the application of DFT in explaining the features of polymer-based drug delivery systems, providing resources and future trends for researchers.
Article
Chemistry, Physical
Alexandra Karagianni, Nikos G. Tsierkezos, Maurizio Prato, Mauricio Terrones, Konstantinos V. Kordatos
Summary: Photodynamic Therapy (PDT) is a non-invasive cancer treatment modality using photosensitizer drug, light, and oxygen. Conventional photosensitizers have limitations, which can be overcome by using nanomaterials such as Carbon Quantum Dots (CQDs) and Graphene Quantum Dots (GrQDs) due to their excellent photoluminescence properties, biocompatibility, and hydrophilicity. This review article summarizes the main features of PDT and carbon-based quantum dots and discusses their applications in cancer diagnosis and treatment.
Article
Materials Science, Multidisciplinary
Arun Kumar, Kshitij R. B. Singh, Manjunath D. Ghate, H. Lalhlenmawia, Deepak Kumar, Jay Singh
Summary: The global burden of cancer is increasing with time and is becoming the leading cause of death worldwide. Chemotherapy is effective but has side effects. Bioinspired Quantum dots (QDs) derived from plant sources show potential for drug delivery and anti-cancer effects.
Review
Biotechnology & Applied Microbiology
Kaustubh Naik, Shilpi Chaudhary, Lei Ye, Avanish Singh Parmar
Summary: This review introduces the synthesis and properties of carbon quantum dots derived from natural sources, focusing on their applicability as nano-theranostics for the diagnosis and treatment of cancer.
FRONTIERS IN BIOENGINEERING AND BIOTECHNOLOGY
(2022)
Article
Materials Science, Multidisciplinary
Felipe Ferreira Lopes, Camila Fabiano de Freitas, Eneida de Paula, Sidney Alves Lourenco, Marcio Florian, Luis Fernando Cabeca
Summary: This work developed hydroxyapatite-coated liposomes for encapsulating drug bupivacaine and quantum dots, serving as a theranostic tool. These systems allow monitoring drug distribution in vivo and modulating drug delivery rate by increasing drug concentration.
JOURNAL OF MATERIALS RESEARCH
(2021)
Article
Pharmacology & Pharmacy
Sumera Khizar, Noor Alrushaid, Firdos Alam Khan, Nadia Zine, Nicole Jaffrezic-Renault, Abdelhamid Errachid, Abdelhamid Elaissari
Summary: Nanotechnology has entered the field of drug delivery, with the use of different nanoparticles as carriers. These biocompatible and stable nanocarriers serve as novel diagnosis tools or therapy agents for targeted delivery. Nanocarriers offer advantages in terms of site-specific and targeted delivery of therapeutics, minimizing adverse effects. Nanoparticles have potential in active drug delivery and protecting drugs from modifications, enhancing their bioavailability. This review discusses different types of nanocarriers integrated with various systems for drug delivery applications.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2023)
Article
Electrochemistry
Hitler Louis, Bartholomew B. Isang, Tomsmith O. Unimuke, Terkumbur E. Gber, Ismail O. Amodu, Alexander I. Ikeuba, Adedapo S. Adeyinka
Summary: The rising costs of versatile metals have brought concerns in the electrochemical world, leading to the rediscovery of sodium and sodium-ion batteries as potential candidates for large-scale energy storage. By investigating the electronic structure and electrochemical performance, it has been found that Na+@C23N shows promising characteristics as an anode material for sodium-ion batteries.
JOURNAL OF SOLID STATE ELECTROCHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Hitler Louis, Chioma M. Chima, Ismail O. Amodu, Terkumbur E. Gber, Tomsmith O. Unimuke, Adedapo S. Adeyinka
Summary: In this study, the Kohn-Sham K density functional theory (DFT) approach was used to investigate the adsorption and sensing efficacy of C23X (X=Zn, Ti, Ni, Fe, and Cr) nanoclusters towards chloronaphthalene. The results showed that C23Ti and C23Cr nanoclusters exhibited stronger adsorption and larger charge transfers compared to other nanoclusters. The higher dipole moments of C23Ti and C23Cr nanoclusters indicated stronger interactions upon the adsorption of chloronaphthalene. Overall, C23Ti and C23Cr nanoclusters showed relatively better sensing efficacy for the detection of chloronaphthalene.
Article
Materials Science, Multidisciplinary
Ernest C. Agwamba, Hitler Louis, Bartholomew B. Isang, Goodness J. Ogunwale, Onyinye J. Ikenyirimba, Adedapo S. Adeyinka
Summary: The use of Moencapsulated, Fe-doped, and Au-decorated (AuFeMoC) engineered nanostructured materials as electro-catalysts for hydrogen evolution reaction (HER) was investigated using density functional theory (DFT). The results showed that AuFeMoC and FeMoC surfaces exhibited the highest catalytic activity and are promising candidates for hydrogen production.
MATERIALS CHEMISTRY AND PHYSICS
(2023)
Article
Chemistry, Organic
Afef Gannouni, Hitler Louis, Thierry Roisnel, Bartholomew B. Isang, Innocent Benjamin, Riadh Kefi
Summary: A one dimensional polymer complex (C9H15N3)[CdCl4] was synthesized and characterized using various techniques including X-ray crystallography, FT-IR vibrational, and thermal analysis, UV-Visible and photoluminescence (PL) spectroscopic investigations. The crystal structure belongs to the monoclinic space group C2/c with Z = 4. The molecular geometry data and density functional theory calculations were compared. IR and Raman spectra were obtained to study the vibrational modes of the compound. Solid-state NMR and UV-visible characterization were conducted. HOMO-LUMO calculations were used to determine the energy gap. PL tests showed two peaks at 400 and 423 nm. Hirshfeld surface analysis and molecular docking experiments were performed to study weak molecular interactions and binding affinities. Thermo-differential analysis and thermogravimetric analysis were used to analyze the thermal degradation of the complex.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Green & Sustainable Science & Technology
D. O. Odey, H. O. Edet, H. Louis, T. E. Gber, A. D. Nwagu, S. A. Adalikwu, A. S. Adeyinka
Summary: In this study, the adsorption of COCl2 gas on metal-doped graphene nanoflakes and heteroatom-decorated graphene nanoflakes (Ni, B, N, and P) was investigated using density functional theory. The results show that both the metal-doped and decorated surfaces can adsorb COCl2 gas, with higher adsorption energy observed on the metal-doped graphene. Quantum theory and non-covalent interaction analysis confirm that the interaction between COCl2 and the model surfaces is mainly non-covalent. Therefore, the studied graphene nanoflake models can be considered as effective gas-sensing materials.
MATERIALS TODAY SUSTAINABILITY
(2023)
Article
Chemistry, Multidisciplinary
Hitler Louis, Tomsmith O. Unimuke, J. Onyinye Ikenyirimba, Gideon E. Mathias, Adedapo S. Adeyinka
Summary: In this study, the structural, electronic, and optoelectronic properties of lead-free methyl ammonium MAM*X-3 (M* = Sn, Si, Ge; X = Cl, Br, I) engineered systems were investigated using solid-state density functional theory (DFT) and time-dependent density functional theory (TD-DFT) based codes. The results showed that doping Ge, Sn, and Si affected the halides, leading to a unique trend of I > Br > Cl and reflected the stability of the engineered perovskite. Both Pb-containing and Pb-free organic-inorganic hybrid perovskites (PSCs) exhibited a direct bandgap, and the calculated bandgaps varied with the halide contribution. UV-Vis results revealed high absorbance at specific wavelengths, indicating a high level of electron excitation upon absorption of ultraviolet rays.
CHEMISTRY AFRICA-A JOURNAL OF THE TUNISIAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Arulraj Ramalingam, Sivakumar Sambandam, Hitler Louis, Anna Imojara, Gideon E. Mathias
Summary: This study synthesized and characterized the compound BCIP using spectroscopic methods. Theoretical calculations and molecular docking studies showed that BCIP has potential as an antiviral agent against HIV. Furthermore, the pharmacokinetic and physicochemical features of BCIP were explored.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Eban L. Kechi, Bassey E. Inah, Henry O. Edet, Hitler Louis
Summary: The study used the density functional theory (DFT) approach to examine thiophene- and thiazole-containing carbohydrazides for their biological activities. Compound 6G showed superior biological activity and reactivity in gas phase, polar, and non-polar solvents. Molecular docking analyses indicated higher binding affinities for compound 6G with 3VSL than with CIPRO, suggesting great bioactivity for tackling MRSA.
CHEMICAL PHYSICS IMPACT
(2023)
Article
Chemistry, Multidisciplinary
Fredrick C. Asogwa, Chioma G. Apebende, Gerald W. Ugodi, Paul Ebo, Hitler Louis, Alexander I. Ikeuba, Chioma J. Asogwa, Terkumbur E. Gber, Immaculata J. Ikot, Aniekan E. Owen
Summary: The anti-inflammatory and immunomodulatory properties of Harungana madagascariensis (HM) leaf extract were investigated experimentally and the electronic structure property of the GC-MS identified phytochemicals was analyzed theoretically. The DCM extract showed significant anti-inflammatory activity and identified phytochemicals support the experimental results, confirming the suitability of HM-based phyto-drug as anti-inflammatory and immunomodulatory agents.
CHEMISTRY AFRICA-A JOURNAL OF THE TUNISIAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Arulraj Ramalingam, Chinnaraja Duraisamy, Hitler Louis, Rajalakshmi Ramarajan, Anna Imojara, Sivakumar Sambandam, Innocent Benjamin
Summary: This study presents the synthesis and evaluation of a potential anti-muscular dystrophy drug. Computational and experimental results demonstrate its significant biological activity, indicating its potential as an effective treatment for muscular dystrophy.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Materials Science, Multidisciplinary
Remigius C. Anozie, Hitler Louis, Ibtehaj F. Alshdoukhi, Terkumbur E. Gber, Abdullah G. Al-Sehemi, Ernest C. Agwamba, Yasar N. Kavil, Sunday G. Olisaeloka, Festus O. Ogungbemiro, Adedapo S. Adeyinka
Summary: Tetracycline residues pose a threat to aquatic ecosystems, and the nanocomposite material Ca12O12-PEDOT exhibits excellent stability and photon absorption capability, suggesting its potential use in the photodegradation of tetracycline.
MATERIALS CHEMISTRY AND PHYSICS
(2024)
Article
Chemistry, Multidisciplinary
Daniel C. Agurokpon, Hitler Louis, Innocent Benjamin, Obinna C. Godfrey, Suresh Ghotekar, Adedapo S. Adeyinka
Summary: This study investigates the molecular structure, adsorption, excitation analysis, and photodegradation mechanism of tetracycline on polythiophene/Ti-doped graphene/boron nitride nanocomposites. The study reveals a correlation between the adsorption potential and excitation behaviors of the nanocomposites, with notable patterns observed in the fifth and seventh units of the polythiophene configuration. The examination of exciton binding energy further supports the results derived from UV-vis transition analysis and adsorption exploration.
Article
Chemistry, Multidisciplinary
Tabe N. Ntui, Emmanuella E. Oyo-Ita, John A. Agwupuye, Innocent Benjamin, Ishegbe J. Eko, Emmanuel I. Ubana, Kokolo M. Etiowo, Emereze C. Eluwa, Anna Imojara
Summary: The studied compound was synthesized and characterized using experimental and computational methods. The research investigated various properties of the compound such as potential energy distribution, reactive sites, reactivity parameters, aromaticity, and intermolecular interactions. Additionally, the study examined the compound's nonlinear optical properties and inhibitory action through molecular docking.
CHEMISTRY AFRICA-A JOURNAL OF THE TUNISIAN CHEMICAL SOCIETY
(2023)