Article
Biochemical Research Methods
Muir Morrison, Manuel Razo-Mejia, Rob Phillips
Summary: This study explores the correspondence between theoretical frameworks of transcriptional regulation in the context of the simple repression motif, finding that different models cannot be distinguished at the level of mean gene expression but can be differentiated by studying higher moments of the gene expression distribution, supporting a minimal kinetic model. The research highlights the challenges in distinguishing between various models of transcriptional regulation and suggests a two-state model with a distribution of burst sizes as the most effective for describing the simple-repression motif.
PLOS COMPUTATIONAL BIOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Yan Chen, Yusheng Shi, Zhanming Gao, Lei Wang, Yutian Tang, Jinxuan Liu, Chun Liu
Summary: In this study, Ir-III complexes 1 and 2 with unique self-assembly pathways were designed to form crystalline assemblies in aqueous systems. Kinetic and thermodynamic control methods were used to synthesize block and random co-assemblies of 1 and 2. By adjusting the water content, an unprecedented pathway-switching approach was realized to synthesize different co-assemblies. These co-assembly strategies pave the way for the synthesis of crystalline co-assemblies of small molecules and the construction of organic heterostructures.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Thermodynamics
Nabila Aprianti, Muhammad Faizal, Muhammad Said, Subriyer Nasir, Ahmad Fudholi
Summary: Understanding the kinetics and thermodynamics of fine coal gasification is crucial for improving design and optimizing clean energy production. Thermogravimetric analysis was performed to determine the activation energy and thermodynamic parameters. The gasification process followed second-order reaction kinetics and was endothermic. This analysis provides valuable guidance for optimizing the fine coal gasification process.
Article
Energy & Fuels
A. Tabal, A. Barakat, A. Aboulkas, K. El Harfi
Summary: In this study, the kinetic and thermodynamic analysis of ficus wood was conducted using thermogravimetric analysis, revealing a triple-step reaction corresponding to the pyrolysis of hemicellulose, cellulose, and lignin. The experimental data provided insight into the activation energy and thermodynamic parameters for each step, offering valuable information for the utilization of ficus wood in bioenergy applications.
Article
Engineering, Environmental
Irem Firtina-Ertis
Summary: This study investigates the optimal hydrogen production of an alkaline electrolyzer under various operating parameters through thermodynamic and electrochemical analysis. It reveals that activation overpotential is the main source of voltage loss, electrodes are more active at higher working temperatures, and an increase in electrolyte thickness leads to higher ohmic overpotential.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2022)
Article
Chemistry, Physical
Alessio Luongo, Bruno Brunetti, Stefano Vecchio Ciprioti, Andrea Ciccioli, Alessandro Latini
Summary: The study found that formamidinium lead iodide (FAPI) is more thermally stable compared to methylammonium lead iodide. The chemical processes responsible for its thermal degradation are complex. The activation energy values for decomposition obtained from X-ray diffraction (XRD) and differential scanning calorimetry (DSC) measurements reflect different steps of the process observed by the two techniques.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Review
Chemistry, Organic
Mouxin Huang, Zongbin Jia, Sanzhong Luo, Jin-Pei Cheng
Summary: Radical chemistry has seen significant progress in the past decade, but mechanism studies are lacking compared to developments in synthetic methodologies. The study of radical species remains a central theme in physial organic chemistry, but there is a lack of systematic compilation and curation of quantitative data on radicals. This review aims to compile and curate thermodynamic and kinetic parameters of radicals to provide a quantitative data basis for the rational development and evolution of radical chemistry.
CHINESE JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Analytical
Erfeng Hu, Chongyang Dai, Yishui Tian, Yang Yang, Xiaojian Yi, Moshan Li, Si Shao, Yunfei Zhao
Summary: This study focuses on the pyrolysis of corn stover using an innovative infrared heated reactor to produce high-value bio-oil and gaseous products. The results show that infrared heating technology effectively suppresses secondary reactions, leading to higher bio-oil yield compared to electric heating technology. Bio-oil yield increases initially with temperature and then decreases, reaching a maximum at 550 degrees C.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2021)
Article
Agricultural Engineering
Ahmad Nawaz, Pradeep Kumar
Summary: This study evaluated the pyrolysis of mustard straw to recognize its bioenergy capability using thermogravimetric analyser and tubular reactor. The results showed that mustard straw is suitable for obtaining cleaner fuel and value-added products, with optimization of process parameters yielding high bio-oil yield. Analysis of bio-oil confirmed the presence of valuable chemicals and functional groups.
BIORESOURCE TECHNOLOGY
(2021)
Article
Energy & Fuels
Ahmad Nawaz, Pradeep Kumar
Summary: The current study explored the impact of different hydrothermal carbonization temperatures (180, 230, and 280 degrees C) on the fuel properties, kinetics, thermodynamics, and reaction mechanism of sunflower stalks. The hydrochars obtained at different temperatures were pyrolyzed in a thermogravimetric analyzer (TGA) at varying heating rates. Characterization methods such as FTIR, FE-SEM, and XRD were used to examine the changes in functional groups, surface morphology, and crystallinity. The findings can be applied to the development and design of pyrolysis reactors for clean biofuel generation from sunflower stalks.
Article
Agricultural Engineering
Sakthivel Rajamohan, Shravan Chidambaresh, Hemanth Sundarrajan, Sivasailam Balakrishnan, Ranjna Sirohi, Dao Nam Cao, Anh Tuan Hoang
Summary: Thermodynamic and kinetic parameters of Albizia lebbeck seed pods were studied using thermogravimetric analysis. The results showed that Albizia lebbeck seed pods have the potential to be a source of bioenergy, contributing to the sustainable goal and waste-to-energy strategy.
BIORESOURCE TECHNOLOGY
(2023)
Article
Chemistry, Inorganic & Nuclear
Anastasia Yu. Gitlina, Farzaneh Fadaei-Tirani, Kay Severin
Summary: The isomerization of iridium(iii) complexes with metalated N-heterocyclic carbene (NHC) ligands was investigated. The fac isomers of complexes with 1-phenyl-3-methylbenzimidazolin-2-ylidene or 1-phenyl-3-benzylbenzimidazolin-2-ylidene ligands can be cleanly transformed into the mer isomers using HNTf2 and then NEt3. However, an iridium complex with a 1-phenyl-1,2,4-triazolo[4,3-f]phenanthridine-based carbene ligand could not undergo isomerization under similar conditions.
DALTON TRANSACTIONS
(2023)
Article
Energy & Fuels
Wei Yi, Xianhua Wang, Kuo Zeng, Haiping Yang, Jingai Shao, Shihong Zhang, A. Paul Watkinson, Hanping Chen
Summary: In this study, the effect of medium temperature devolatilization (MTD) on biomass gasification kinetics was investigated. Isothermal steam gasification experiments were performed on corn stalk and its MTD-chars. It was found that the influences of alkali and alkaline earth metal (AAEM) on the gasification process varied under different conversion rates, which resulted in fitting errors for the random pore model. Therefore, a semi-empirical kinetic model called RPM+ was developed to accurately describe the catalytic effects of AAEMs on biomass gasification. This study is significant for the simulation and design of biomass staged gasification processes, as well as the high-value utilization of biomass with high AAEMs content through gasification.
Article
Microbiology
Kanchan Sonkar, D. P. Singh
Summary: A halotolerant bacterial strain Bacillus gibsonii was used for extracellular lipase production, showing maximum activity at 60 degrees C under alkaline pH. The enzyme exhibited thermostable nature with a calculated thermal inactivation energy of 66.98 kJ/mol, and was more stable at 60 degrees C compared to 80 degrees C. The study provided insights into the kinetic and thermodynamic behavior of the partially purified lipase.
ARCHIVES OF MICROBIOLOGY
(2021)
Article
Mathematical & Computational Biology
Darius Linge, Marius Gedgaudas, Andrius Merkys, Vytautas Petrauskas, Antanas Vaitkus, Algirdas Grybauskas, Vaida Paketuryte, Asta Zubriene, Audrius Zaksauskas, Aurelija Mickeviciute, Joana Smirnoviene, Lina Baranauskiene, Edita Capkauskaite, Virginija Dudutiene, Ernestas Urniezius, Aleksandras Konovalovas, Egidijus Kazlauskas, Kirill Shubin, Helgi B. Schioeth, Wen-Yih Chen, John E. Ladbury, Saulius Grazulis, Daumantas Matulis
Summary: We introduce a protein-ligand binding database (PLBD) that provides thermodynamic and kinetic data of reversible protein interactions with small molecule compounds. The database contains over 5500 binding datasets of 556 sulfonamide compound interactions with human carbonic anhydrase isozymes. In addition to binding affinities, the database also provides calorimetrically measured binding enthalpies, enhancing mechanistic understanding.
DATABASE-THE JOURNAL OF BIOLOGICAL DATABASES AND CURATION
(2023)
Article
Chemistry, Physical
Moamen S. Refat, Hosam A. Saad, Adil A. Gobouri, Mohammed Alsawat, Abdel Majid A. Adam, Samy M. El-Megharbel
Summary: This study synthesized nanostructured CuO, Co3O4, and NiO oxides through the thermal decomposition of precursors, and compared their catalytic degradation performance on Congo red dye.
JOURNAL OF MOLECULAR LIQUIDS
(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
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
Polymer Science
Tariq Altalhi, Amine Mezni, Mohammed A. Amin, Moamen S. Refat, Adil A. Gobouri, Nimra Shakeel, Mohd Imran Ahamed, Inamuddin
Summary: This study developed a new nanocomposite as a supporting material for wiring enzymes in enzymatic biofuel cells. The synthesized nanocomposite was characterized by various techniques and the performance of the bioanode was evaluated through electrochemical assessments.
Article
Chemistry, Physical
Tariq Altalhi, Amine Mezni, Mohamed M. Ibrahim, Moamen S. Refat, Adil A. Gobouri, Ayham M. Safklou, Adel M. Mousli, Mohamed S. Attia, Purna K. Boruah, Manash R. Das, Jacek Ryl, Rabah Boukherroub, Mohammed A. Amin
Summary: In this study, FA-TiO2 nanocomposites were prepared using fly ash waste and titanium oxide. The nanocomposites exhibited considerable electrocatalytic activity for the hydrogen evolution reaction (HER), and their performance was significantly enhanced through cathodic activation. The activated FA-TiO2 showed comparable performance to commercial Pt/C catalysts for HER.
Article
Materials Science, Multidisciplinary
Arwa Alrooqi, Zahra M. Al-Amshany, Laila M. Al-Harbi, Tariq A. Altalhi, Moamen S. Refat, Ali M. Hassanien, Gaber A. M. Mersal, Ahmed A. Atta
Summary: A novel compound was synthesized and its structure and properties were studied through thermal analysis, spectroscopy, and electrochemistry.
Article
Chemistry, Medicinal
Majid Alhomrani, Walaa F. Alsanie, Abdulhakeem S. Alamri, Hussain Alyami, Hamza Habeeballah, Heba A. Alkhatabi, Raed Felimban, John M. Haynes, Sonam Shakya, Bassem M. Raafat, Moamen S. Refat, Ahmed Gaber
Summary: This study assessed the interactions between risperidone and traditional receptors and used the findings to improve the therapeutic properties of a pharmaceutical formulation. Molecular docking calculations and molecular dynamics simulations revealed that the complex of risperidone and serotonin had the highest binding energy and stability.
Article
Biochemistry & Molecular Biology
Moamen S. Refat, Ahmed Gaber, Yusuf S. Althobaiti, Hussain Alyami, Walaa F. Alsanie, Sonam Shakya, Abdel Majid A. Adam, Mohamed Kobeasy, Kareem A. Asla
Summary: In this study, Cu(II), Ni(II), Co(II), and Mn(II) complexes of the gabapentin drug were synthesized and characterized. The gabapentin ligand chelated as a bidentate ligand with the metal ions, forming monobasic metal:ligand complexes. The interaction between the gabapentin complexes and serotonin and dopamine receptors was investigated using molecular docking and molecular dynamics simulation.
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
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
Abdel Majid A. Adam, Hosam A. Saad, Moamen S. Refat, Mohamed S. Hegab
Summary: COVID-19, caused by a novel coronavirus, has resulted in a global pandemic with significant impacts on health, economy, and society. Multiple therapeutic options, including corticosteroids, have been developed to combat the pandemic. However, further research on chemical modifications of corticosteroids is needed for improved efficacy. Understanding the chemical and physical properties of drugs used to treat COVID-19 can aid in the development of better treatments and vaccines.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Biochemistry & Molecular Biology
Arwa Alrooqi, Zahra M. Al-Amshany, Laila M. Al-Harbi, Tariq A. Altalhi, Moamen S. Refat, A. M. Hassanien, A. A. Atta
Summary: This study investigates the impact of charge transfer complex on dielectric relaxation processes in free PMMA polymer sheets. The frequency dependence of dielectric properties is analyzed over a range of frequencies and temperatures for perylene dye and acceptors in the PMMA polymer. Thermal degradation of the synthesized polymeric sheets is examined using TG/dTG technique. The study also evaluates kinetic parameters using the Coats-Redfern relation. The dielectric relaxation spectroscopy reveals the existence of alpha- and beta-relaxation processes in the synthesized polymeric sheets.
