Article
Polymer Science
Sinith Withanage, Artemii Savin, Valeria Nikolaeva, Aleksandra Kiseleva, Marina Dukhinova, Pavel Krivoshapkin, Elena Krivoshapkina
Summary: Novel antimicrobial natural polymeric hybrid hydrogels based on hyaluronic acid and spider silk show successful crosslinking, regular porous structure, hydrophilic properties, antimicrobial ability, and no significant cytotoxicity. These hydrogels could be a promising solution to overcome antimicrobial drug resistance and can be used in collaborative antimicrobial and anti-inflammatory drug delivery systems for external use.
Article
Chemistry, Multidisciplinary
Yanmiao Fan, Mads Luchow, Yuning Zhang, Jinjian Lin, Lisa Fortuin, Soumitra Mohanty, Annelie Brauner, Michael Malkoch
Summary: Biocompatible and degradable dual-delivery gel systems based on HBDLDs were constructed via thiol-ene click chemistry, allowing tunable elasticity of the gels and co-delivery of NB and CIP. The innovative hybrid hydrogels showed promise in treating bacterial infections and as wound dressing materials with enhanced cell proliferation and biodegradability.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Review
Pharmacology & Pharmacy
Wener Chen, Chengfei Zhang, Simin Peng, Yifan Lin, Zhou Ye
Summary: Oral diseases are a common global health issue characterized by infections, inflammation, and oral tissue destruction. Hydrogels have emerged as promising biomaterials in dental medicine due to their unique properties and bioactivities. This review provides an overview of hydrogels, their formation mechanisms, structures, and functions, and highlights their latest applications in treating various oral and maxillofacial diseases.
ADVANCED THERAPEUTICS
(2023)
Review
Polymer Science
Miguel A. Ortega, Diego De Leon-Oliva, Diego Liviu Boaru, Oscar Fraile-Martinez, Cielo Garcia-Montero, Raul Diaz, Santiago Coca, Silvestra Barrena-Blazquez, Julia Bujan, Natalio Garcia-Honduvilla, Miguel A. Saez, Melchor Alvarez-Mon, Jose V. Saz
Summary: The growing impact of infections and antibiotic resistance is a global public health concern. Biomaterials and their applications in antimicrobial hydrogels can provide solutions to these problems. Antimicrobial hydrogels have unique properties and can be used in medical management of infectious diseases and drug delivery. In this review, promising strategies for developing antimicrobial hydrogels are discussed, along with their translational applications in wound healing, tissue engineering, drug delivery, contact lenses, 3D printing, biosensing, and water purification.
Article
Nanoscience & Nanotechnology
Sang Hoon Jeong, Sunah Cheong, Tae Yeon Kim, Hyunsik Choi, Sei Kwang Hahn
Summary: Diabetic wound patients often suffer from bacterial infections and delayed healing due to hyperglycemia. We developed a injectable hydrogel platform that can release antimicrobial peptides (AMPs) in response to infection-related materials. The AMPs are released from the hydrogel only when both matrix metalloproteinases (MMPs) and reactive oxygen species (ROS) are present, ensuring controlled release without cytotoxicity.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Nanoscience & Nanotechnology
Sang Hoon Jeong, Sunah Cheong, Tae Yeon Kim, Hyunsik Choi, Sei Kwang Hahn
Summary: Diabetic wound patients often experience delayed healing and bacterial infections due to high blood sugar levels. Antimicrobial peptides (AMPs) have been explored but their stability and toxicity have limited their use for chronic wound healing in diabetics. In this study, a controlled AMP-releasing hydrogel platform was developed that could respond to infection-related materials. The hydrogel was created by mixing hyaluronic acid modified with cyclodextrin (HA-CD) and adamantane (Ad-HA). AMP was released from the hydrogel only when exposed to both MMP and ROS, allowing for controlled release without cytotoxicity. The AMP-tethered hydrogel showed enhanced stability and antimicrobial activity compared to native AMP. This research demonstrates the potential of sHG-AMP for diabetic chronic wound healing.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Materials Science, Biomaterials
Arianna Rossetti, Fabio Pizzetti, Filippo Rossi, Emanuele Mauri, Elisa Borghi, Emerenziana Ottaviano, Alessandro Sacchetti
Summary: Drug delivery systems for controlled and targeted release of drugs are constantly evolving, with chemical engineers playing a crucial role in their development. Polymer-based hydrogels were developed and characterized to study their efficacy as drug release systems and antimicrobial properties. Two Carbomer-based formulations were utilized, showing promise for their simplicity and potential applications.
INTERNATIONAL JOURNAL OF POLYMERIC MATERIALS AND POLYMERIC BIOMATERIALS
(2021)
Article
Materials Science, Biomaterials
Yangqian Hou, Tingyuan Tan, Zhen Guo, Yuwen Ji, Jun Hu, Yi Zhang
Summary: The human microbiome plays a crucial role in human health and disease. Broad-spectrum antibiotics disrupt microbial communities and contribute to antibiotic resistance. Antimicrobial peptides show promise in combating bacteria without causing resistance. By designing the properties of peptide molecules, hydrogels with broad-spectrum or Gram-selective antibacterial activities can be obtained. These hydrogels have potential applications in treating common recurring infections.
BIOMATERIALS SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Baixing Chen, Luis Ponce Benavente, Marco Chitto, Jacek K. Wychowaniec, Virginia Post, Matteo D'Este, Caroline Constant, Stephan Zeiter, Wenli Feng, Mercedes Gonzalez Moreno, Andrej Trampuz, Jeroen Wagemans, Jolien Onsea, R. Geoff Richards, Rob Lavigne, T. Fintan Moriarty, Willem-Jan Metsemakers
Summary: The study aimed to develop a dual antibiotic-phage delivery system using a hydrogel and alginate microbeads to treat multi-drug resistant Pseudomonas aeruginosa infection. The results showed that the combination of phages and meropenem had enhanced antibacterial activity against bacterial biofilms. The dual delivery system reduced the development of phage resistance and exposure to the immune system.
JOURNAL OF CONTROLLED RELEASE
(2023)
Article
Polymer Science
Henry Chijcheapaza-Flores, Nicolas Tabary, Feng Chai, Mickael Maton, Jean-Noel Staelens, Frederic Cazaux, Christel Neut, Bernard Martel, Nicolas Blanchemain, Maria Jose Garcia-Fernandez
Summary: This study aims to combine the properties of hydrogels based on chitosan (CHT) and the polymer of beta cyclodextrin (PCD) for local delivery of cinnamaldehyde (CN) in diabetic foot ulcers. The results demonstrated the successful development of a cytocompatible (ISO 10993-5) injectable hydrogel with antibacterial and antibiofilm activity. Furthermore, a partial active molecule release and an increase in hydrogel elasticity were observed in the presence of CN.
Review
Infectious Diseases
Adelaide Mensah, Aoife M. Rodgers, Eneko Larraneta, Lyndsey McMullan, Murtaza Tambuwala, John F. Callan, Aaron J. Courtenay
Summary: With the advancement of biomedical research, the source and delivery of antibiotics for various diseases, like periodontal diseases (PD), have gained attention. The use of antibiotics in PD treatment is important, but the emergence of resistant strains is a concern. Hydrogels, made from natural or synthetic polymers, have been extensively used in biomedical sciences for the delivery of antibacterial agents. This article reviews PD and its antibiotic treatment options, and highlights the potential of hydrogels for antibacterial agents and antibiotic drug delivery in PD.
Article
Chemistry, Physical
Thomas G. Meikle, Durga Dharmadana, Soren V. Hoffmann, Nykola C. Jones, Calum J. Drummond, Charlotte E. Conn
Summary: This study utilized lipid-based cubosomes as delivery vehicles for antimicrobial peptides, increasing AMP loading efficiency by manipulating electrostatic charge and enhancing antimicrobial activity of nanoparticles. This approach provides a foundation for designing more effective and targeted antibiotic therapies.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Pharmacology & Pharmacy
Andreia Sousa, Joana F. Santos, Francisco Silva, Silvia A. Sousa, Jorge H. Leitao, Antonio P. Matos, Teresa Pinheiro, Rafaela A. L. Silva, Dulce Belo, Manuel Almeida, Fernanda Marques, Celia Fernandes
Summary: Gold(III) bisdithiolate complexes have shown potential as antimicrobial and antitumoral agents, but their poor water solubility limits their clinical use. In this study, block copolymer micelles loaded with Au(cdc)(2) were synthesized and characterized, demonstrating enhanced anticancer and antimicrobial activities.
Article
Chemistry, Multidisciplinary
Tina Helmecke, Dominik Hahn, Nadine Matzke, Lisa Ferdinand, Lars Franke, Sebastian Kuehn, Gunter Fischer, Carsten Werner, Manfred F. Maitz
Summary: This paper introduces a new polymer hydrogel platform that releases anti-inflammatory molecules in response to the inflammatory activation of human blood. The hydrogel is conjugated with anti-inflammatory peptide drugs through a peptide sequence cleaved by elastase released from activated granulocytes. The adaptive drug delivery triggered by activated granulocytes and the effect of the released drug on the respective inflammatory pathways are demonstrated.
Review
Polymer Science
Bernhard V. K. J. Schmidt
Summary: Hydrogels, with their soft and tissue-like properties and high water-content, are highly promising materials with a wide range of applications including tissue engineering and drug delivery. The properties of hydrogels can be tailored through crosslinking mechanisms, shape, and composition, with multicompartment hydrogels driving progress in complex and highly functional soft materials. This review highlights the latest developments in multicompartment hydrogels, focusing on various compartments and discussing their morphologies and applications. The further development of multicompartment hydrogels will have a significant impact on biomedicine and organic devices.
MACROMOLECULAR RAPID COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Shridevi Salagare, Prashanth S. Adarakatti, Yarradoddappa Venkataramanappa, Abdulraheem S. A. Almalki
Summary: The study aimed to develop a low-cost, simple, sensitive, and selective three-electrode electrochemical nitrite sensor. PdO-RGO nanocomposites were successfully synthesized, providing a large surface area for nitrite adsorption and demonstrating good electrode performance.
Article
Engineering, Biomedical
Nawshad Muhammad, Zenab Sarfraz, Muhammad Sohail Zafar, Saad Liaqat, Abdur Rahim, Pervaiz Ahmad, Abdullah Alsubaie, Abdulraheem S. A. Almalki, Mayeen Uddin Khandaker
Summary: This study investigated the properties of various commercially available PMMA-based artificial teeth, including chemical analysis, morphology, thermal analysis, and mechanical properties. Different types of artificial teeth showed distinct mechanical and thermal properties, which may be attributed to the differences in PMMA content and fillers.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN MEDICINE
(2022)
Article
Chemistry, Physical
Abdel Majid A. Adam, Moamen S. Refat
Summary: This study investigated the charge-transfer interaction between the widely used antihypertensive drug valsartan and three acceptors (DDQ, TFQ, and TCNQ) and characterized the generated CT complexes using spectroscopic methods. The analysis revealed correlations among these spectroscopic parameters.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Applied
Imran Ali, E. A. Neskoromnaya, A. Melezhik, A. Babkin, B. A. Kulnitskiy, A. E. Burakov, I. Burakova, A. G. Tkachev, Abdulraheem S. A. Almalki, Abdullah Alsubaie
Summary: Magnetically active nanocomposite aerogels were prepared and used for water treatment. The effect of iron content on the structural and functional properties of the synthesized materials was investigated. The aerogels exhibited high specific surface area and sorption capacity, leading to fast removal of dyes.
JOURNAL OF POROUS MATERIALS
(2022)
Article
Engineering, Chemical
Imran Ali, Alexandr Shchegolkov, Aleksei Shchegolkov, Natalya Zemtsova, Vladimir Bogoslovskiy, Gulnara Shigabaeva, Evgeny Galunin, Iqbal Hussain, Abdulraheem S. A. Almalki, Meshari A. Alsharif, Mohammed Issa Alahmdi
Summary: This article presents a comparative analysis of two elastomers, polyurethane (PUC) and organosilicon (OSC), modified with multiwall carbon nanotubes (MWCNTs). The study examines the conductivity and temperature field distribution of the modified elastomers. The results demonstrate that the lowest conductivity was observed in PUC elastomer modified with MWCNTs-2, while OSC elastomer modified with MWCNTs-1 exhibited more uniform temperature field. This study has important implications for electric heaters in various applications such as households, clothing, vehicles, and aircraft.
POLYMER ENGINEERING AND SCIENCE
(2022)
Article
Crystallography
Rabia Usman, Arshad Khan, Amjad Khan, Moamen S. Refat, Amani M. R. Alsaedi, Faiz-Ur Rahman
Summary: The compound C11H9Cl2N5Zn exists in monoclinic crystal system.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES
(2022)
Article
Chemistry, Multidisciplinary
Khuloud A. Alibrahim, Amnah Mohammed Alsuhaibani, Moamen S. Refat
Summary: This article focuses on the preparation and characterization of NH2-NH2 hydrazine molecule compounds. The hydrazine sulfate complexes of Mn(II), Fe(III), Cu(II), and Zn(II) were synthesized and characterized using various analytical techniques. The results indicate that these complexes have an octahedral geometric structure and undergo thermal degradation to form solid metal sulfate as residual products. Infrared spectroscopy and elemental analysis provide insights into the coordination modes of NH2-NH2 ligands with metal ions. XRD and AFM analyses reveal that the synthesized hydrazine metal complexes exhibit nano scale ranges.
BULLETIN OF THE CHEMICAL SOCIETY OF ETHIOPIA
(2022)
Article
Chemistry, Multidisciplinary
Amnah Mohammed Alsuhaibani, Moamen S. Refat, Abdel Majid A. Adam, Mohamed I. Kobeasy, Deo Nandan Kumar, Sonam Shakya
Summary: Complexes of the immunosuppressive drug azathioprine with various metal ions were synthesized and characterized through spectroscopic and thermal studies. The coordination of azathioprine to the metal ions was confirmed by infrared spectroscopy, while the absence of changes in a specific range suggested that the ether group may not be involved in the binding. Thermal analysis showed that the complexes decomposed in multiple steps, leading to the formation of metal oxides.
BULLETIN OF THE CHEMICAL SOCIETY OF ETHIOPIA
(2022)
Article
Green & Sustainable Science & Technology
Hafiza Sobia Tufail, Rana Muhammad Shahid Yaqub, Amnah Mohammed Alsuhaibani, Sidra Ramzan, Ahmad Usman Shahid, Moamen S. Refat
Summary: This research explores the factors influencing consumers' purchase intention of suboptimal food, finding that factors including values, environmental concern, price consciousness, quality inferior, unappealing appearance, and attitude have direct and indirect influence on consumers' purchase intention. The findings provide insights for policymakers, marketers, and practitioners in reducing food waste.
Article
Chemistry, Physical
Abdel Majid A. Adam, Hosam A. Saad, Moamen S. Refat, Mohamed S. Hegab, Ghaferah H. Al-Hazmi, Amnah Mohammed Alsuhaibani, H. M. Mohamed
Summary: The research investigates the charge-transfer interaction between quinine and five acceptor molecules, showing that quinine forms stable and vividly colored CT complexes with the acceptors. Different ratios of reaction are observed between quinine and the acceptors.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Biochemistry & Molecular Biology
Sadaf Mutahir, Tayyaba Irfan, Nimra Nadeem, Muhammad Humayun, Muhammad Asim Khan, Moamen S. Refat, Chundong Wang, Tahir Ali Sheikh
Summary: This research reports the formation of a new adsorbent, activated bentonite with cinnamic acid, which demonstrates high efficiency in removing dyes from wastewater. The study compares the adsorption efficiency of the activated bentonite with unmodified bentonite using methyl orange and rhodamine-B as target dyes. Characterization techniques such as XRD, FTIR, and SEM were employed to analyze the activated bentonite. The results suggest that acid activation with cinnamic acid increases the surface area of the bentonite, enhancing its adsorption efficiency.
Article
Crystallography
Abdulrahman A. Almehizia, Hamad M. Alkahtani, Mohamed A. Al-Omar, Ahmad J. Obaidullah, Mashooq A. Bhat, Lamees S. Alrasheed, Ahmed M. Naglah, Ayman A. O. Younes, Amnah Mohammed Alsuhaibani, Moamen S. Refat, Abdel Majid A. Adam, Mohamed Y. El-Sayed, Kareem A. Asla
Summary: Eight polymer-metal complexes were synthesized through complexation of divalent Mn(II), Ni(II), Co(II), and Cu(II) metal ions with modified polystyrene-alt-(maleic anhydride) (PSMAP and PSMAM) ligands. The structures of the complexes were characterized using magnetic moment susceptibility, conductance measurements, FT-IR spectroscopy, UV-VIS, TGA, and SEM. The complexes exhibited non-electrolytic behavior based on conductance measurements, and the polymer ligands acted as neutral bidentate NO ligands. The complexes showed octahedral geometry based on their electronic spectra and magnetic properties, and were more thermally stable than the ligands. SEM and TEM provided information on the surface structure and particle size of the complexes.
Article
Crystallography
Sadaf Mutahir, Muhammad Asim Khan, Ahmed M. M. Naglah, Mohamed A. A. Al-Omar, Abdulrahman A. A. Almehizia, Bader Huwaimel, Amr S. S. Abouzied, Amirah Senaitan Alharbi, Moamen S. S. Refat
Summary: One of the biggest challenges in contemporary medicine is cancer. New treatment approaches are needed due to the difficulties and prolonged nature of current therapies, as well as the increasing resistance of cancer cells. In this study, ten triazine sulfonamide derivatives were examined for their potential in cancer treatment. Through in silico docking analysis, it was found that these compounds showed promising binding affinities to receptors involved in cancer development and metastasis. In addition, ADME experiments supported the drug similarity of these compounds, and MEP calculations provided insight into their interactions.
Article
Crystallography
Sadaf Mutahir, Fakhira Yaqoob, Muhammad Asim Khan, Amnah Mohammed Alsuhaibani, Amr S. Abouzied, Moamen S. Refat, Bader Huwaimel
Summary: A new bentonite clay composite was synthesized and tested for the removal of methylene blue (MB) from wastewater. Various spectroscopic techniques were used to characterize its efficacy. The results showed that the modification significantly increased the adsorption capacity, with a maximum of 258 mg/g achieved at pH 11. The pseudo-second-order model best described the sorption process, and the Langmuir isotherm model confirmed the monolayer adsorption mechanism. This study demonstrated the potential of the bentonite-SB adsorbent for MB removal from wastewaters.
Article
Crystallography
Ayman A. O. Younes, Abdel Majid A. Adam, Moamen S. Refat, Asma S. Al-Wasidi, Abdulrahman A. Almehizia, Mohamed A. Al-Omar, Ahmed M. Naglah, Abdulrahman M. Al-Obaid, Hamad M. Alkahtani, Ahmad J. Obaidullah, Mohamed Y. El-Sayed, Kareem A. Asla
Summary: Three new transition-metal complexes were synthesized by refluxing azodicarbonamide (ADCA) with nickel(II), copper(II), and zinc(II) solutions in a mixture of 50% (v/v) methanol and water. FT-IR analysis indicated a bi-dentate chelation through the N-azo and O-carbonyl groups in all complexes. The optical band gaps of the complexes were within the range of highly effective photovoltaic materials, suggesting their potential as semiconductors.
Article
Chemistry, Physical
Rajalaxmi Sahoo, C. Reshma, D. S. Shankar Rao, C. V. Yelamaggad, S. Krishna Prasad
Summary: This study investigates the influence of the flexible spacer parity of a guest photoactive liquid crystalline dimer on the photonic bandgap features of the cholesteric and twist grain boundary smectic C phases of the host molecule. The results show that the parity of the photoactive dimer affects the width of the photonic bandgap and the blue-shift of the cholesteric phase. Additionally, the parity of the dimer also affects the layer spacing and two-dimensional periodicity of the liquid crystalline phases.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Sara Rozas, Alberto Gutierrez, Mert Atilhan, Alfredo Bol, Santiago Aparicio
Summary: This study presents a multiscale theoretical investigation on the use of bifunctional hydrophobic Deep Eutectic Solvent for carbon capture using tetrapropylammonium chloride, acetic acid, and ethanolamine. The characterization includes nanoscale analysis of CO2 absorption mechanisms and changes in liquid phase properties during gas capture.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Tabouli Eric Da-yang, Alhadji Malloum, Jean Jules Fifen, Mama Nsangou, Jeanet Conradie
Summary: In this study, the potential energy of different glycine tautomers and their interaction with Cu2+ cations was investigated. The results showed that the solvation medium and the presence of Cu2+ cations influenced the stability of glycine tautomers.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Xiaoliang Gou, Nan Ye, Qingqing Han, Junjie Cui, Long Yi Jin
Summary: In this study, amphiphilic rod-coil molecules with rigid DSA parts and flexible oligoether chains were designed and their assembly capacities were investigated. The morphology of the molecular aggregates was influenced by the pH of the solution and UV light, and the aggregates showed adsorption capacity for nitroaromatic compounds.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Shuang Liu, Liyan Shan, Cong Qi, Wenhui Zhang, Guannan Li, Bei Wang, Wei Wei
Summary: Optimizing the design of styrene-butadiene-styrene copolymer (SBS) is crucial for producing cost-effective SBS modifiers and improving road quality. This study examined the influence of SBS content and molecular structure on viscosity and compatibility. The results showed that the viscosity contribution of SBS is determined by its molecular structure and phase morphology.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Artem A. Petrov, Ekaterina A. Titova, Aydar A. Akhmadiyarov, Ilnaz T. Rakipov, Boris N. Solomonov
Summary: This work focuses on the thermochemistry of solvation of azeotropes. The enthalpies of dissolution of azeotropes in different mediums were determined, and the impact of the structure of the azeotropes on their properties in solution was discussed. A correlation between enthalpies of solvation and molar refraction was used to determine the vaporization enthalpies of azeotropes for the first time. The results were found to be consistent with literature data, obtained using direct and calculated methods. These findings contribute to the analysis of the structure-property relationships of azeotropes.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
L. V. Kamaeva, E. N. Tsiok, N. M. Chtchelkatchev
Summary: Understanding the correlations between liquids and solids allows us to predict the thermodynamic parameter range favorable for the formation of intriguing solid phases by studying liquids. In this study, we experimentally and theoretically investigated an Al-Cu-Co system within different composition ranges, and identified high-temperature solid phases. Our findings demonstrated the correlation between the boundaries of different solid phases and undercooling and viscosity in the concentration area.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
R. Aneesh Kumar, S. Jamelah Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Nivedita Acharjee, Renjith Thomas, Renjith Raveendran Pillai, T. L. Leena
Summary: In this study, the interactions between doped and pristine coronenes and adenine nucleobases were investigated using Density Functional Theory. The optimal configurations, adsorption energies, charge transfer, and electrical properties of each complex were calculated. It was found that doped coronene had stronger adsorption strength and charge transfer compared to pristine coronene. The stability of the complexes was attributed to non-covalent interactions in the interactive region. The change in electrical conductivity of coronenes after adsorption suggested their sensitivity towards DNA bases. The predicted energy gap and prolonged recovery time for adenine-coronene configurations indicated the potential application of pristine/doped coronene in DNA detection.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Gang Zhou, Yongwei Liu, Biao Sun, Zengxin Liu, Cuicui Xu, Rulin Liu, Qi Zhang, Yongmei Wang
Summary: The CFD-DEM method was used to simulate the dust deposition pattern in the bronchus of anchor digging drivers, revealing the highest dust concentration in the vortex region of the working face. The study also found a positive correlation between dust particle diameter and bronchial deposition rate, and a negative correlation with alveolar deposition rate.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Yan Zhang, Yafei Luo, Lingkai Tang, Mingyan E, Jianping Hu
Summary: This study investigates the effects of different transition metal decorations on B12N12 nanocages on the adsorption properties of nitrosourea drugs using computational methods. The results reveal the presence of weak non-covalent interactions between metals and nanocages, and the interaction between drugs and nanocages plays a significant role in drug adsorption. Compared to free drugs, the adsorption of drugs on nanocages can facilitate electron transfer, reduce energy gaps and chemical hardness, indicating activity at the target site.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
C. I. Alcolado, J. Poblete, L. Garcia-Rio, E. Jimenez, F. J. Poblete
Summary: In this study, the selective oxidation of aromatic aldehydes was investigated using Ru(VI) as a catalyst and hexacyanoferrate (III) as a cooxidant in an alkaline medium. The reaction mechanism involves complex reaction orders for the oxidant and the aromatic aldehyde, while the reaction order for Ru(VI) is one. The proposed mechanism includes two catalytic cycles and the formation and decomposition of complexes. Quantitative structure-activity relationship analysis showed that deactivating groups in the para-position enhance the process.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Inez A. Barbieri, Marcos L. S. Oliveira, Franciele S. Bruckmann, Theodoro R. Salles, Leonardo Zancanaro, Luis F. O. Silva, Guilherme L. Dotto, Eder C. Lima, Mu. Naushad, Cristiano R. Bohn Rhoden
Summary: This study evaluated the adsorption of zolpidem on magnetic graphene oxide and synthesized magnetic graphene oxide adsorbents for zolpidem removal. The best magnetic nanoadsorbent was found to have a removal percentage of 87.07% at specific pH and temperature conditions. The results suggest that the removal of zolpidem is related to the surface chemistry of the adsorbent rather than the surface area of graphene oxide. The adsorbent showed excellent adsorption efficiency and magnetic behavior, making it a promising material for removing zolpidem from aqueous solutions.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Hongyan Huang, Chunquan Li, Siyuan Huang, Yuling Shang
Summary: This study examines the sensitivity of the thermal conductivity of water-based alumina nanofluids to changes in concentration, sphericity, and temperature. The results show that volume fraction and temperature have a significant impact on the thermal conductivity, while sphericity also needs to be considered. A support vector machine regression model was created to analyze the sensitivity of the thermal conductivity to different parameters. The findings indicate that temperature, sphericity, and volume fraction are the most sensitive variables.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Correction
Chemistry, Physical
V. M. Pergamenshchik, T. Bryk, A. Trokhymchuk
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Valentyn Rudenko, Anatolii Tolochko, Svitlana Bugaychuk, Dmytro Zhulai, Gertruda Klimusheva, Galina Yaremchuk, Tatyana Mirnaya, Yuriy Garbovskiy
Summary: This paper reports on the synthesis, structural characterization, spectral and nonlinear-optical properties of glass nanocomposites made of glass forming ionic liquid crystals and nanoparticles. The study reveals that by exciting the nanocomposites within their absorption band, a control over effective optical nonlinearities can be achieved, allowing the modification of the magnitude and sign of the effective nonlinear absorption coefficient. The proposed strategy using metal-alkanoates based glass-forming ionic liquid crystals and nanoparticles shows great potential for the development of nanophotonics and plasmonics technologies.
JOURNAL OF MOLECULAR LIQUIDS
(2024)