Review
Engineering, Environmental
Ngoc N. Nguyen, Anh V. Nguyen
Summary: Gas hydrates present both opportunities and threats, and chemical additives are used to promote or inhibit hydrate formation. However, recent studies have shown that some known hydrate promoters can act as inhibitors, and vice versa, when their concentrations change. The dual nature of hydrate additives has not been thoroughly discussed in the literature.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Environmental
Yu-Hsuan Ho, Yau Zu Khoo, Yan-Ping Chen, Ryo Ohmura, Li-Jen Chen
Summary: This study investigates the thermodynamic and kinetic influence of polyethylenimine (PEI) on the formation of methane and carbon dioxide hydrates. It is found that PEI acts as a thermodynamic inhibitor, inhibiting the formation of hydrates. However, it has different effects on methane and carbon dioxide hydrates kinetically, inhibiting methane hydrate formation and promoting carbon dioxide hydrate formation.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Environmental
Byeonggwan Lee, Kyuchul Shin, Sanehiro Muromachi, Igor L. Moudrakovski, Christopher I. Ratcliffe, John A. Ripmeester
Summary: Antifreezes such as methanol and ammonia can enhance methane storage in binary clathrate hydrates like THF and TBAB. Methanol acts as a catalyst for methane hydrate formation and induces TBAB hydrates to form an orthorhombic structure suitable for methane storage. These findings suggest that methanol could play a crucial role in hydrate-based methane storage systems.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Engineering, Environmental
Jie Xu, Qinglin Chen, Jianwei Du
Summary: Inducing pure methane hydrate from double methane semi-clathrate hydrate is a promising method to enhance methane storage efficiency. This study used a halogen-free semi-clathrate hydrate former to conduct comprehensive experiments, showing significant improvements in methane uptake.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Energy & Fuels
Amir Saberi, Abdolmohammad Alamdari, Ali Rasoolzadeh, Amir H. Mohammadi
Summary: This study investigated the impact of three chemicals at different concentrations on gas hydrate formation, and identified the optimal choices. Furthermore, the combination of PVP and MEG in an aqueous solution was found to have a simultaneous synergistic impact on both natural gas hydrate formation induction time and the rate of gas consumption.
Article
Engineering, Environmental
Parul Sahu
Summary: Clathrate hydrates are gaining attention for their applications in water reclamation, with advancements in forming agents and kinetic promoters playing a key role in accelerating the hydrate formation and water recovery process. Additionally, developments in novel reactor designs, efficient separation methods, and hybrid processes are making clathrate hydrate technology a strong candidate for future water reclamation from waste effluents.
JOURNAL OF WATER PROCESS ENGINEERING
(2021)
Article
Chemistry, Physical
Satoshi Takeya, Akihiro Hachikubo, Hirotoshi Sakagami, Hirotsugu Minami, Satoshi Yamashita, Masayoshi Takahashi, Keiichi Hirano, Kazuyuki Hyodo, Akio Yoneyama
Summary: Understanding the dissolution processes of natural methane (CH4) hydrates is crucial for assessing the amount of methane released into seawater from unconventional natural gas resources. High-resolution experiments have successfully visualized the spatial relationships between methane hydrates and seawater, revealing that dissociation of methane hydrates leads to the formation of microbubbles.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Review
Chemistry, Physical
Subhadip Das, Kavya Mrudula Tadepalli, Sudip Roy, Rajnish Kumar
Summary: This article reviews the existing theories on nucleation and growth of gas hydrates, discusses the factors affecting decomposition, and explores the analysis techniques used to quantify such mechanisms. Molecular Dynamics simulations play a significant role in understanding these processes.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Energy & Fuels
Guilherme Muhlstedt, Jonathan Felipe Galdino, Diogo E. Andrade, Cezar O. R. Negrao
Summary: Gas hydrates may form in deep-water drilling operations when light compounds flow into the wellbore due to a kick. By inducing hydrate formation with tetrahydrofuran in water-based drilling fluid, researchers found that the resulting hydrate slurry is a time-dependent elastoviscoplastic material with irreversible microstructural changes under shear. The study also revealed that the hydrate slurry exhibits different rheological properties depending on whether it is formed statically or dynamically.
Article
Thermodynamics
Hassan Pahlavanzadeh, Sepideh Nouri, Mahnaz Aghajanloo, Amir H. Mohammadi, Samira Mohammadi
Summary: In this study, the dissociation conditions of CO2 + water systems in the absence/presence of MgCl2 + THF aqueous solutions at different concentrations were investigated experimentally and thermodynamically. The results showed that MgCl2 acted as an inhibitor while THF acted as a promoter. The equilibrium curve shifted towards the left in the presence of MgCl2, especially at high pressures. A thermodynamic model using the Peng-Robinson equation of state and the UNIQUAC activity coefficient model was developed and found to predict the equilibrium conditions reasonably well.
FLUID PHASE EQUILIBRIA
(2023)
Article
Energy & Fuels
Meku Maruyama, Shun Kao, Hitoshi Kiyokawa, Satoshi Takeya, Ryo Ohmura
Summary: In this study, clathrate-hydrate-based continuous CO2 capture was experimentally investigated, and it was found that the CO2 concentration rate and recovery ratio were lower compared to pre-combustion systems. However, it was revealed that improving the geometry of mixing impellers could enhance the CO2 recovery ratio for continuous operation.
Article
Green & Sustainable Science & Technology
Ahmed Omran, Nikolay Nesterenko, Valentin Valtchev
Summary: This review discusses the potential use of zeolitic ice or clathrate hydrates as environmentally friendly materials in the energy transition process, with a focus on their role in gas purification and safe storage.
RENEWABLE & SUSTAINABLE ENERGY REVIEWS
(2022)
Article
Chemistry, Multidisciplinary
Mohsen Abbaspour, Fateme Fotourechi, Hamed Akbarzadeh, Sirous Salemi
Summary: In this study, water molecules in fixed and rigid (15,0) CNTs formed a hexagonal ice nanotube. The addition of methane molecules replaced the hexagonal structure of confined water molecules. When inhibitors were added to methane clathrates in CNT, benzene, [emim(+)][Cl-] IL, methanol, NaCl, and THF were found to have different inhibition behaviors. [emim(+)][Cl-] IL showed the best inhibition effects, while THF and benzene were more effective than NaCl and methanol. The IL and THF inhibitors tended to aggregate, while benzene and IL molecules were distributed along the CNT and affected the behavior of THF as an inhibitor in the CNT. Furthermore, the IL had stronger inhibition effects in the armchair (9,9) and the flexible (15,0) CNTs compared to other systems.
Article
Chemistry, Physical
Simin Keshtkari, Abdolmohammad Alamdari, Amir H. Mohammadi
Summary: Accurate modeling of clathrate hydrates phase behaviors is crucial for the petroleum industry. This study investigates the influence of repulsive force between guest-host molecules in hydrate cavities and compares the performances of different potential functions. The results show promising improvement in binary hydrate systems.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Thermodynamics
Foroozan Keshavarzi, Jafar Javanmardi, Khashayar Nasrifar, Amir H. Mohammadi
Summary: The study aimed to estimate the effects of different aqueous solutions on hydrates using a model. Evaluation of 828 experimental data points showed the high accuracy of the model, with comparisons indicating excellent agreement between the predicted values and experimental data.
FLUID PHASE EQUILIBRIA
(2021)
Editorial Material
Medicine, Research & Experimental
Lynne S. Taylor, Doris E. Braun, Lidia Tajber, Jonathan W. Steed
MOLECULAR PHARMACEUTICS
(2022)
Article
Chemistry, Multidisciplinary
Jiangping Liu, Andrew W. Prentice, Guy J. Clarkson, Jack M. Woolley, Vasilios G. Stavros, Martin J. Paterson, Peter J. Sadler
Summary: This study reports a Ru(II) polypyridyl prodrug, RuAzNM, functionalized with azo and nitrogen mustard, which exhibits multimodal theranostic properties towards hypoxic cancer cells. Reduction of the azo group in hypoxic cell microenvironments leads to the generation of reactive oxygen species and mtDNA crosslinking, while the resulting phosphorescent RuNH2 serves as a diagnostic signal and activates phototherapy. This unique strategy allows controlled multimodal theranostics to be realized in hypoxic cells, making RuAzNM a highly selective and effective cancer-cell-selective theranostic agent.
ADVANCED MATERIALS
(2023)
Editorial Material
Chemistry, Multidisciplinary
Sonja Krane, Jennifer Hiscock, Kathryn Preuss, Jonathan W. Steed
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Jessica L. Andrews, Dmitry S. Yufit, James F. McCabe, Mark A. Fox, Jonathan W. Steed
Summary: This example demonstrates that vapor sorption is a potentially valuable yet underutilized tool for modifying pharmaceutical solid forms as part of a solid form screening protocol.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Medicine, Research & Experimental
Yichun Shen, Aurora J. Cruz-Cabeza, Ossama Azzouz, Katharina Edkins
Summary: This study investigates the relationship between prenucleation aggregation in solution and co-crystal formation in the caffeine-benzoic acid co-crystal system. It suggests that NMR spectroscopy can be used to predict co-crystallization from specific solvents and screen suitable solvents for manufacturing and scale-up. The results show that crystallization from methanol does not result in co-crystal formation, while acetone and acetonitrile lead to the formation of co-crystal along with caffeine.
MOLECULAR PHARMACEUTICS
(2023)
Review
Chemistry, Inorganic & Nuclear
Giacomo Picci, Claudia Caltagirone, Alessandra Garau, Vito Lippolis, Jessica Milia, Jonathan W. Steed
Summary: This review discusses recent advancements in the design, synthesis, and characterization of metallogels and coordination complex-based gels. It emphasizes systems that possess recognition and sensing properties towards various analytes.
COORDINATION CHEMISTRY REVIEWS
(2023)
Editorial Material
Chemistry, Inorganic & Nuclear
Stefanie Dehnen, Jonathan W. Steed, Kenneth Lo, Katja Heinze, Oliver S. Wenger, Shalini Singh, Hai-Bo Yang, Shuang-Quan Zang
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Luca Craciunescu, Eirik M. Liane, Adam Kirrander, Martin J. Paterson
Summary: In this study, the excited state van der Waals (vdW) potential energy surfaces (PESs) of the NO A(2)Sigma(+) + CO2 X-1 Sigma(+)(g) system were thoroughly investigated using advanced computational methods. The results show that the employed methods are efficient and cost-effective in predicting the depth of vdW wells. Furthermore, the study highlights the influence of multi-reference effects and long-range vdW surfaces on rotational energy transfer.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Xiao Peng Mi, Hui Lu, Tianlv Xu, Herbert Fruchtl, Tanja van Mourik, Martin J. Paterson, Steven R. Kirk, Samantha Jenkins
Summary: A study using simulated circularly polarized laser pulses on ethane showed that the mechanical properties, particularly bond-flexing and bond-torsion, increase depending on the plane of polarization. These properties may increase or decrease after the laser pulses are switched off, depending on the polarization plane, due to directionally-dependent effects of excited states' long-lasting superpositions. The chiral properties of ethane were found to be formally achiral. The study briefly discusses future investigations using ultra-fast circularly polarized lasers.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Stuart W. Crane, Malcolm Garrow, Paul D. Lane, Kate Robertson, Alex Waugh, Jack M. Woolley, Vasilios G. Stavros, Martin J. Paterson, Stuart J. Greaves, Dave Townsend
Summary: Ultrafast transient absorption spectroscopy was used to investigate the excess energy redistribution dynamics in nitrobenzene under hexane and isopropanol solvation. The results were compared with a recent time-resolved photoelectron imaging study, revealing a 1/e lifetime in the TAS data that was absent in the TRPEI measurements. This discrepancy highlights the varying sensitivity of different spectroscopic techniques in capturing specific steps along the reaction coordinate.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
Thomas F. M. Luxford, Thomas R. Sharples, Martin Fournier, Cleïment Soulie, Martin J. Paterson, Kenneth G. McKendrick, Matthew L. Costen
Summary: A crossed molecular beam velocity map ion imaging apparatus was used to investigate the rotationally inelastic scattering between NO and N2, CO, and O2. The results showed that for collisions with N2 and CO, a fraction of NO was scattered sideways and backward, with increasing rotational excitation and collision parameters. In contrast, collisions with O2 mainly resulted in forward scattering with little rotational excitation. This is consistent with the literature on NO-O2 interaction potential energy surfaces.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Organic
Emmanouil Broumidis, Christopher G. Thomson, Brendan Gallagher, Lia Sotorrios, Kenneth G. Mckendrick, Stuart A. Macgregor, Martin J. Paterson, Janet E. Lovett, Gareth O. Lloyd, Georgina M. Rosair, Andreas S. Kalogirou, Panayiotis A. Koutentis, Filipe Vilela
Summary: This study discovered that 1,2,6-thiadiazines can be converted into 1,2,5-thiadiazole 1-oxides using visible light and oxygen under ambient conditions, which was previously difficult to achieve. Experimental and theoretical studies revealed that 1,2,6-thiadiazines act as triplet photosensitizers and undergo a selective cycloaddition reaction to form an endoperoxide.
Article
Environmental Sciences
Aisling C. Stewart, Martin J. Paterson, Stuart J. Greaves
Summary: The role of organic aqueous aerosols in the atmosphere depends on their structures, which are influenced by both their components and the way they are packed together. In this study, the surface coverage of three C18 fatty acids was investigated to understand its impact on aerosol structure. Higher coverage leads to tighter packing and alignment along the surface normal. Surface analysis showed that CH3 and CH2 groups dominate at all coverages, but changes in the presence of HC=CH and COOH indicate when monolayer coverage is exceeded. The accessibility of different groups to ozone molecules was also assessed, providing insights into how organic surface coverage affects aerosol reactivity.
ENVIRONMENTAL SCIENCE-ATMOSPHERES
(2023)
Article
Chemistry, Multidisciplinary
Dominic Taylor, Thomas Malcomson, Adilet Zhakeyev, Georgina M. Rosair, Martin J. Paterson, Jose Marques-Hueso, Scott J. Dalgarno, Filipe Vilela
Summary: Regioselective stepwise phenylation of 4,7-diarylbenzo[c][1,2,5]thiadiazole fluorophores was achieved by a facile one-pot, three-step synthetic strategy involving sequential borylation, hydroxydechlorination, and Suzuki-Miyaura cross-coupling reactions. Selectivity was achieved by using BCl3 to install a boronic acid group in the ortho-position of only one of the diaryl groups. The introduction of ortho-phenyl groups through Suzuki-Miyaura cross-coupling resulted in twisted structures with hindered intramolecular rotation, allowing for adjustment of the fluorophore absorption and emission properties.
Article
Polymer Science
Ivan Torres-Moya, Abelardo Sanchez, Basanta Saikia, Dmitry S. Yufit, Pilar Prieto, Jose Ramon Carrillo, Jonathan W. Steed
Summary: Three bisamide derivatives were synthesized and their gel behavior was tested. Only G1 provided satisfactory gels due to the hindered hydrogen bonding in G2 and G3. G1 exhibited thermally and mechanically stable gels, pH responsiveness, and was able to induce the formation of thermodynamically stable form III in drug crystallization.
Review
Chemistry, Multidisciplinary
Dan He, Yawen Li, Fuwen Zhao, Yuze Lin
Summary: High trap density in organic solar cells leads to localized charge carriers and reduced carrier lifetime, limiting device efficiency. This feature article summarizes the recent advances of trap suppression by material design and device engineering.
CHEMICAL COMMUNICATIONS
(2024)
Review
Chemistry, Multidisciplinary
Olivier Monfort, Arshitha Madhusudhan, Martin Motola
Summary: This article presents the advantages of coupling photocatalysis and Fenton-based processes for environmental remediation and discusses their synergy. It critically examines the simultaneous triggering of these two processes and provides insights into research approaches. The study aims to enhance understanding of this complex process and highlight the potential integration of new catalysts in current wastewater treatment technology.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Manideepa Dhar, Chittaranjan Mishra, Avijit Das, Uttam Manna
Summary: An approach of 'polymerization of monomers in its aggregated form' has been introduced to tailor the water wettability of fibrous and porous substrates, achieving hydrophobicity to superhydrophobicity transition, as well as patterned wettability. This facile chemical method provides a durable coating with adjustable and patterned wettability for various potential applications.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Saswat Ranjan Bhoi, Chhanda Debnath, Shikha Gandhi
Summary: In this article, a novel catalytic reaction using Pd(0) and Bronsted acid is reported for the synthesis of biologically important imidazolidinone-fused N-heterocycles through redox-neutral intramolecular N-allylation of indoles and pyrroles with alkynes. This atom-economical method is applicable to a wide range of substrates and eliminates the need for leaving groups or oxidizing agents commonly used in traditional allylation reactions.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Longkun Chen, Mingshuai Zhang, Meichen Liu, Zhuoyuan Liu, Yuetong Qiu, Zhilai Zhang, Fuchao Yu, Jiuzhong Huang
Summary: In this study, an efficient Rh(III)-catalyzed selective mono- and dual-C-H bond functionalization/cyclization with iodonium ylide as the sole coupling partner was demonstrated. Fused benzodiazepine skeletons were obtained in excellent yields, providing an improved approach to dual C-H unsymmetrical functionalization.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Alice Kennett, Sven Epple, Gabriella van der Valk, Irene Georgiou, Evelyne Gout, Romain R. Vives, Angela J. Russell
Summary: This study presents the design and synthesis of sulfated disaccharide inhibitors based on IdoA(2S)-GlcNS(6S), which showed potent inhibition of Sulf-2. The results suggest that IdoA(2S)-GlcNS(6S) is the shortest fragment size required for effective inhibition of Sulfs, and a trisulfated disaccharide is identified as the minimal fragment size of heparan sulfate for effective endosulfatase inhibition.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Mauro Garbini, Andrea Brunetti, Riccardo Pedrazzani, Magda Monari, Massimo Marcaccio, Giulio Bertuzzi, Marco Bandini
Summary: The self-adaptability of galvanostatic electrolysis was found to be helpful in a multistage chemo- and diastereoselective electrochemically promoted cyclodimerization of chalcones. Through a series of reductive events, densely functionalized cyclopentanes with five contiguous stereocenters were obtained (25 examples, yields up to 95%, dr values up to >20:1). Further experimental and electrochemical investigations indicated the crucial role of dynamic kinetic resolution of the aldol intermediate in the reaction mechanism.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Dhananjay S. Nipate, Neha Meena, Prakash N. Swami, Krishnan Rangan, Anil Kumar
Summary: In this study, the synthesis of functionalized benzo[a]phenazines and indazolo[2,3-a]quinolines was achieved through Rh(III)-catalyzed oxidative annulation of 2-arylquinoxalines and 2-aryl-2H-indazoles with allyl alcohols. The method showed a wide substrate scope, excellent functional group tolerance, good to high yields of annulated products, and the capability for scaled-up synthesis. A tentative mechanism of the annulation reaction was proposed based on a preliminary mechanistic investigation.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Ruonan Zhang, Abudukadi Tudi, Xia Yang, Xuping Wang, Zhihua Yang, Shujuan Han, Shilie Pan
Summary: A new lead tellurium borate material with a unique fundamental building block [B4O10] was synthesized and found to exhibit high birefringence. The structure-property relationship was discussed using first-principles calculations.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Amresh Kumar Singh, Baishali Thakurta, Anupam Giri, Monalisa Pal
Summary: This study introduces three key concepts for the quick synthesis of large-scale high-quality 2D materials films and their utilization in device fabrication.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Reina Hagiwara, Shun Nishimura, Kosuke Okeyoshi
Summary: A copolymer-conjugated nanocatalytic system has been developed to improve electron transfer and enhance photoinduced H2 generation.
CHEMICAL COMMUNICATIONS
(2024)
