Review
Engineering, Environmental
Ying Xue, Zhaohui Wang, Ravi Naidu, Richard Bush, Fei Yang, Jianshe Liu, Manhong Huang
Summary: This review reconciles conflicting data on the degradation of pollutants in the presence of halides by peroxygens-based AOPs. Halide ions were found to affect contaminants' degradation either negatively or positively, depending on various factors such as substrate properties and operating parameters. Further research is needed to understand the effect of halides on the simultaneous removal of multiple organic pollutants. Better AOP technologies should be selected to minimize adverse effects and take advantage of positive effects in order to reduce operating costs and emissions in saline environments.
CHEMICAL ENGINEERING JOURNAL
(2022)
Review
Chemistry, Physical
Soliu Oladejo Ganiyu, Carlos A. Martinez-Huitle, Mehmet A. Oturan
Summary: The knowledge of electrochemical advanced oxidation processes (EAOPs) mechanisms has evolved over the past three decades, aided by advances in analytical and spectrometric techniques. The type, nature, and quantity of reactive species generated in EAOPs are controlled by various factors, and their accurate identification is crucial for understanding their reactivity. The potency and reactivity of oxidants generated in EAOPs are similar regardless of the technique used, except in the case of heterogeneous and homogeneous hydroxyl radicals.
CURRENT OPINION IN ELECTROCHEMISTRY
(2021)
Review
Engineering, Environmental
Wei Liu, Yanrong Lu, Yingbo Dong, Qi Jin, Hai Lin
Summary: This review comprehensively presents the research progress on the formation of reactive species (RS), quenching experiments, reaction kinetics, and influencing factors in advanced oxidation processes (AOPs). It also discusses the challenges in the process of RS formation, transformation, identification, and suggests methods to reveal the catalytic degradation mechanism. The review is helpful for researchers to understand the quenching process of RS in AOPs and clarify the degradation mechanism of different organic pollutants.
CHEMICAL ENGINEERING JOURNAL
(2023)
Review
Biochemistry & Molecular Biology
Christian Schoneich
Summary: This article summarizes recent analytical and mechanistic work on the reactions of therapeutic proteins under light exposure, particularly in relation to protein modification under visible light. It suggests that these processes may be triggered by a ligand to metal charge transfer in excipient-metal complexes.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Chelsea M. Schroeder, Taylor M. Koehler, Kristiane K. Ohlhorst, Nicholas E. Leadbeater
Summary: An apparatus using UV-visible spectrophotometry was used to monitor electrochemical processes in real-time. This study focused on optimizing the electrochemical activation of persulfate for the decolorization of Acid Orange 7 dye. The research investigated the effects of electrode composition, current density, persulfate loading, and stirring speed on the decolorization rate. It was found that the core structure and functional groups of the dye significantly influenced the decolorization rate, and electrochemically-activated persulfate showed faster decolorization than anodic oxidation, particularly for electron-deficient substrates.
Article
Environmental Sciences
Nguyen Tien Hoang, Vo Thang Nguyen, Nguyen Dinh Minh Tuan, Tran Duc Manh, Phuoc-Cuong Le, Dinh Van Tac, Fredrick M. Mwazighe
Summary: This study investigated the degradation of dyes using the UV/PS process and found that the degradation followed a first-order kinetic model. The pH of the solution and the presence of water matrices had an impact on the degradation efficiency. The study also compared the UV/PS process with UV/HOCl and UV/H2O2 processes and found that UV/PS had lower toxicity and was more beneficial for total organic carbon removal.
Review
Environmental Sciences
Ismael F. Mena, Elena Diaz, Juan J. Rodriguez, Angel F. Mohedano
Summary: Ionic liquids have exceptional properties but can cause environmental harm due to their high solubility in water. Cost-effective solutions are needed to deal with these pollutants, with advanced oxidation processes being an effective technology to remove them.
CRITICAL REVIEWS IN ENVIRONMENTAL SCIENCE AND TECHNOLOGY
(2022)
Article
Environmental Sciences
Hui Xia, Wenjing Zhang, Yuesuo Yang, Wei Zhang, Diane Purchase, Chuanqi Zhao, Xiaoming Song, Yuanyuan Wang
Summary: This study investigated the mechanistic details of TCEP degradation promoted by (OH)-O· using density functional theory (DFT) method. The results showed that in the initial step, energy barriers of the hydrogen abstraction pathways were no more than 7 kcal/mol.
Article
Engineering, Environmental
Yongchang Xie, Jinquan Wan, Zhicheng Yan, Yan Wang, Tong Xiao, Jin Hou
Summary: The study synthesized NH2-MIL-53(Fe) surface molecularly imprinted catalyst (MIP-AA) for targeted degradation of Sulfamethoxazole (SMX) in advanced oxidation processes. The results showed that enriching pollutants on the catalyst surface and utilizing weak interactions can effectively promote the degradation process.
CHEMICAL ENGINEERING JOURNAL
(2022)
Review
Environmental Sciences
Qingkai Shi, Si Deng, Yuling Zheng, Yinlin Du, Ling Li, Suzhao Yang, Gaoxia Zhang, Li Du, Guangfu Wang, Min Cheng, Yang Liu
Summary: Sulfate radical-based advanced oxidation processes are important for degrading organic pollutants in water. Transition metal-modified biochar is widely used as a catalyst in these processes, providing excellent properties and synergistic effects.
ENVIRONMENTAL RESEARCH
(2022)
Review
Environmental Sciences
Monali Priyadarshini, Indrasis Das, Makarand M. Ghangrekar, Lee Blaney
Summary: Advanced oxidation processes (AOPs) are promising technologies for the treatment of contaminants of emerging concern by utilizing highly reactive radicals. Among the evaluated technologies, modified electrochemical oxidation, gamma radiation, and plasma-assisted systems have shown the greatest potential for successful implementation in wastewater treatment.
JOURNAL OF ENVIRONMENTAL MANAGEMENT
(2022)
Review
Chemistry, Multidisciplinary
Yanan Shang, Xing Xu, Baoyu Gao, Shaobin Wang, Xiaoguang Duan
Summary: Carbon-based single atom catalysts show high performances and efficiency in environmental catalysis, but there is a lack of comprehensive research on their catalytic sites and mechanisms in advanced oxidation processes, which is necessary for further exploration.
CHEMICAL SOCIETY REVIEWS
(2021)
Review
Chemistry, Applied
Wei Jia, Aiai Guo, Rong Zhang, Lin Shi
Summary: This review discusses the potentially harmful substances produced by the Maillard reaction and the impact of advanced glycosylation end products (AGEs) on health. The inhibition mechanism of natural antioxidants on AGEs and their potential application in food processing are also explored.
Review
Environmental Sciences
Dinusha Peramune, Danushika C. Manatunga, Rohan S. Dassanayake, Vikum Premalal, Renuka N. Liyanage, Chamila Gunathilake, Noureddine Abidi
Summary: Biopolymers have shown potential in enhancing the performance of Advanced Oxidation Processes (AOPs) for treating synthetic dye-contaminated wastewater. By immobilizing catalysts on biopolymer supports, improved catalytic activity and turnover numbers can be achieved, leading to more efficient organic dye removal.
ENVIRONMENTAL RESEARCH
(2022)
Article
Engineering, Environmental
Emil Bein, Bettina Seiwert, Thorsten Reemtsma, Jorg E. Drewes, Uwe Huebner
Summary: Several oxidative treatment technologies have been studied and applied for the removal of monocyclic hydroaromatic carbon from water. However, little is known about the formation of transformation products and their fate in biodegradation. This study demonstrates that O3/H2O2 treatment leads to less hydroxylated aromatic transformation products compared to UV/H2O2 treatment, and raises questions regarding the biodegradability of oxidation products. The study provides new insights into the oxidation of monocyclic aromatics and has implications for treatment applications.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
J. Sakthi Swarrup, Ranjan Ganguli, Giridhar Madras
Summary: This paper conducts an in-depth analysis of IPMC as sensors, revealing a correlation between IPMC metal content and water uptake. The study shows that introducing mass to the end of a high-frequency IPMC sensor improves sensing behavior, while low-frequency IPMC sensors exhibit a reverse trend. Gold coating on a high-frequency IPMC sensor decreases resonant frequency, and pre-bending with optimal mass loading benefits sensing voltage on the Au-coated HFI sensor.
JOURNAL OF INTELLIGENT MATERIAL SYSTEMS AND STRUCTURES
(2021)
Article
Chemistry, Applied
Satyapaul A. Singh, Giridhar Madras, Inkollu Sreedhar
Summary: Transition metal substituted Co3O4-ZrO(2) catalysts (NiCZ, CuCZ and FeCZ) were synthesized by PEG assisted sonochemical synthesis and showed excellent catalytic activity and stability for lean methane combustion. The presence of SO(2) in the reactant feed significantly inhibited the catalytic activity, although FeCZ exhibited superior performance compared to NiCZ and CuCZ. Characterization studies using XRD, XPS, TEM and H-2-TPR revealed structural and reducibility properties of the catalysts.
TOPICS IN CATALYSIS
(2021)
Article
Chemistry, Inorganic & Nuclear
Nilanjan Roy, Saroj Kumari, Ritobroto Sikdar, Anjali Sharma, Harshit, Sivaprasad Ghanta, Sudhanshu Sharma, Parag A. Deshpande, Partha P. Jana
Summary: Ni3GaSb is a compound with specific crystal structure, where the interaction between Ni-Sb and Ni-Ga plays a significant role in its electronic structure and stability. In catalytic activity testing, Ni3GaSb shows high selectivity towards acetylene hydrogenation reaction.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2021)
Review
Engineering, Chemical
Manju Verma, Gaurav A. Bhaduri, V. Sai Phani Kumar, Parag A. Deshpande
Summary: The effects of climate change are becoming increasingly evident, prompting the need for urgent action. Carbon capture utilization and storage (CCUS) represents an effective step towards mitigating climate change. Research on CO2 hydration catalysts focuses on enhancing reaction rates and reducing production costs for industrial applications.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2021)
Article
Multidisciplinary Sciences
Shashi Kumar, Parag A. Deshpande
Summary: This study investigates the thermodynamic stability of SazCA protein through molecular dynamics simulations in a temperature range of 293-393 K, revealing that the protein exhibits the highest structural stability at 353 K with increased flexibility at temperatures above. Analyses indicate that conformations at 353 K demonstrate the highest thermal stability and folding capacity, supporting a transition in folding/unfolding pathway at this temperature.
Article
Engineering, Chemical
Phanikumar Pentyala, Pinak Bhusan Mohapatra, Parag A. Deshpande
Summary: The study utilizes van der Waals-corrected density functional theory calculations to investigate the energetics of interactions between shale minerals and methane, carbon dioxide, providing detailed mechanisms behind the displacement of methane by carbon dioxide, conclusively proving the stronger adsorption of CO2 and the kinetic feasibility of its displacement, offering insights into the successful CO2 sequestration during enhanced gas recovery processes.
CHEMICAL ENGINEERING SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
Manjusha C. Padole, Shivraj B. Kotkar, Parag A. Deshpande
Summary: Computational torsional deformation experiments were conducted within the framework of density functional theory using C-60, which exhibited anisotropy in the molecule leading to different topological defects. The study investigated the effects of torsional deformation on spheroid cage and strain energy, observing different isomers with varying strain energies during the deformation experiments. Stable and reactive isomers of C-60 capable of withstanding high pressures, including those induced with Stone-Wales defect, were identified.
MATERIALS TODAY COMMUNICATIONS
(2021)
Article
Nanoscience & Nanotechnology
K. S. S. V. Prasad Reddy, Parag A. Deshpande
Summary: Graphene nanosheets are robust support materials for metal nanoparticles, with double-vacancy-defected graphene and B-doped graphene identified as excellent traps for Pd-3 and Pd-4 clusters, immobilizing and hindering their surface migration for potential heterogeneous catalytic applications. The stability of clusters in the presence of H-2 also makes them suitable for catalyzing hydrogenation reactions.
ACS APPLIED NANO MATERIALS
(2021)
Article
Engineering, Chemical
Phanikumar Pentyala, Parag A. Deshpande
Summary: This study investigates the mechanism and pathway selectivity of anodic oxidation of HCOOH over La1-xSrxCoO3 using density functional theory calculations. The results indicate that the formate-mediated direct oxidation and carboxyl-mediated direct oxidation routes are not feasible, while the surface isomerization of trans- to cis-HCOOH is the dominant reaction pathway.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Chemistry, Physical
K. S. S. V. Prasad Reddy, Parag A. Deshpande
Summary: In this study, the activity of small Pd-n clusters immobilized on graphene supports for the oxidative addition of bromobenzene was investigated. The results showed that defected graphene supports act as charge donors, significantly reducing the activation barriers of oxidative addition and making them potential heterogeneous catalysts for cross-coupling reactions.
MOLECULAR CATALYSIS
(2022)
Article
Chemistry, Physical
Phanikumar Pentyala, Vibhuti Singhania, Vinay Kumar Duggineni, Parag A. Deshpande
Summary: This study employed machine learning-assisted DFT calculations to identify a set of descriptors influencing the vacancy formation energy, including metal-vacancy and metal-metal distances, and partial charges on the ions in the system. The results conclusively inferred the partial charge on Pd to be the most important factor influencing the vacancy formation energy in such solid solutions with the partial charge on Zr to play a supportive role.
MOLECULAR CATALYSIS
(2022)
Article
Chemistry, Physical
Pradeep Kumar Yadav, Saroj Kumari, Uppari Naveena, Parag A. Deshpande, Sudhanshu Sharma
Summary: We report the detailed surface chemistry of platinum, palladium, rhodium, and ruthenium substituted into lanthanum strontium cobaltate perovskite catalysts for CO oxidation. The catalysts were synthesized and characterized, and surface intermediates were probed. It was found that La1_xSrxCo1_yRhyO3 and La1_xSrxCo1_yPdyO3 showed the best activities for the reaction. DFT calculations revealed the surface phenomena responsible for altering the CO oxidation activity upon noble metal ion substitution.
APPLIED CATALYSIS A-GENERAL
(2022)
Article
Biochemistry & Molecular Biology
Shashi Kumar, Parag A. Deshpande
Summary: The fastest member of carbonic anhydrase family, SazCA, has been reported to exhibit exceptional activity in the reversible hydration reaction of carbon dioxide. This study explores the molecular basis for the difference in activity between SazCA and SspCA using molecular dynamics simulations. Our simulations reveal the presence of efficient proton shuttle between the active zinc center and His64 residue in both enzymes. However, SazCA shows a larger population of conformation favoring proton acceptance, leading to its exceptional activity.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Chemistry, Physical
Manju Verma, V. Sai Phani Kumar, Shashi Kumar, Parag A. Deshpande
Summary: The mechanistic details of CO2 hydration activities of four boronic acids were investigated using density functional theory calculations, with 2,6-dibromophenylboronic acid showing the highest turnover frequency. Computational NMR and FTIR spectra analysis confirmed the biomimetic mechanism for CO2 hydration over all the boronic acid catalysts under investigation.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Kumari Sushmita, Petr Formanek, Dieter Fischer, Petra Potschke, Giridhar Madras, Suryasarathi Bose
Summary: The study developed two ultrathin multilayered assemblies to address electromagnetic pollution, with enhanced structural properties and interference shielding. By interfacially stitching PC and PVDF components with a PMMA sandwich layer, the challenge of their immiscibility was overcome, improving the overall performance of the materials.
NANOSCALE ADVANCES
(2021)
Article
Chemistry, Physical
Ming-Yi Chen, Ngoc Thanh Thuy Tran, Ahmed Abubakar Alao, Wen-Dung Hsu
Summary: This study demonstrates the significance of surface Pt atom arrangement for the efficiency of ORR in PEMFCs and reveals the correlation between Pt-Pt average distance and O2 dissociation barrier. Furthermore, the study discovers a robust correlation between the level of the catalyst's d-band center and O2 adsorption energy. High-entropy alloy substrates provide potential for controlling Pt arrangement and O2 dissociation barrier.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Eduardo C. Atayde Jr, Babasaheb M. Matsagar, Yu-Cheng Wang, Kevin C. -W. Wu
Summary: This study presents the first application of an acidic MOF, Sulfated MOF-808, in catalyzing the HAA reactions of furan oligomers for the production of biofuel precursors. The catalyst showed high yield, selectivity, and recyclability, making it versatile for different starting materials.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Maria do Carmo Rangel, Francieli Martins Mayer, Soraia Jesus de Oliveira, Sergio Gustavo Marchetti, Fabricio Luiz Faita, Doris Ruiz, Giovanni Saboia, Mariana Kieling Dagostini, Jonder Morais, Maria do Carmo Martins Alves
Summary: This study developed a new catalyst by investigating the effect of magnesium on the catalytic properties of hematite in ethylbenzene dehydrogenation. The catalyst showed important differences in activity, selectivity, and stability, making it a promising candidate for commercial applications.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Yanjun Li, Qian Wang, Hui Tian, Mingyuan Zhu, Yuanyuan Liu
Summary: A novel strategy using microwave-assisted precipitation was proposed to prepare defective CsH3PMo11VO40 catalyst for the oxidation of methacrolein to methacrylic acid. Microwave treatment accelerates crystallization, increases vanadyl species content, and forms defective Keggin structures, thereby enhancing the oxidation capacity of the catalyst.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Rajeshwari Athavale, Sailee Gardi, Fatima Choudhary, Dayanand Patil, Nandkishor Chandan, Paresh More
Summary: In this study, a novel acidic ionic liquid catalyst was prepared and used for the synthesis of bis-indolyl methane derivatives. The catalyst exhibited short reaction times, easy purification, and reusability.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Masatomo Hattori, Takato Hattori, Masakuni Ozawa
Summary: Cu-added gamma-Al2O3 catalysts were prepared with varying Cu loadings and the effects of copper oxidation states on catalytic activity were investigated. The results showed that the addition of copper increased the catalyst activity, but excessive copper loading decreased catalytic activity. XRD and TEM analysis indicated the formation of a solid solution of copper oxide species on the surface of gamma-Al2O3. XAS and TPR data demonstrated variations in copper oxidation states among the catalysts.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Liwei Fang, Shiyang Niu, Shengsen Wang, Yiqing Lu, Yuanhui Cheng
Summary: In this study, PtNi alloy on nitrogen-doped carbon and SnO2 dual-support was designed to modulate the metal-support interaction, resulting in improved catalytic activity and stability for oxygen reduction reaction. The SnO2/PtNi/NC catalyst exhibited a strongly coupled interface, enhanced electron transfer, and higher half-wave potential compared to PtNi/NC and commercial Pt/C.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Shohei Harada, Duanxing Li, Kenta Iyoki, Masaru Ogura
Summary: This study investigates the catalytic performance of a composite catalyst composed of ZnZrOX and H-zeolite for the hydrogenation of CO2. The deactivation of the composite catalyst is influenced by ion exchange of Zn2+ and/or coke, with their effects differing based on the zeolite structure. Separating the grains of the composite catalyst can prevent deactivation.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Laura Proano, Christopher W. Jones
Summary: In this study, NiGa alloy particles supported on CeO2, ZrO2, and ZrO2-CeO2 solid solutions were prepared and characterized. The nature of the support was found to have a significant influence on the catalyst's activity and selectivity, with the crystalline structure of ZrO2 having the greatest impact. Pure ZrO2 showed the highest methanol selectivity and CO2 conversion at high Zr:Ce ratios. In equimolar and Ce-rich conditions, basic sites and oxygen vacancies were found to be the key parameters affecting methanol production.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Liyan Zhang, Yinze Yang, Leilei Zhou, Fengyu Zhao, Haiyang Cheng
Summary: 1,6-Hexamethylenediamine was successfully synthesized via the reductive amination of 1,6-hexanediol using a Ru/PRL(x)-Al2O3 catalyst. The highly dispersed and anchored Ru species, formed by 1,10-phenanthroline (PRL), played a crucial role in the catalytic reaction. The formation of new acid-base pairs, electron deficient Ru species, and smaller nanoparticles contributed to the improved catalytic performances of the Ru/PRL-Al2O3 catalyst.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Anita Horvath, Miklos Nemeth, Andrea Beck, Gyorgy Safran, Valeria La Parola, Leonarda Francesca Liotta, Gregor Zerjav, Matevz Roskaric, Albin Pintar
Summary: This study investigates the catalytic and structural changes caused by the addition of 0.25 wt% indium in a 3% Ni/CeO2-Al2O3 catalyst prepared by impregnation method. The results show that the addition of indium can decrease the activity of the catalyst, but it improves its stability and reduces coking.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Ankush Kularkar, Vaibhav Vilas Khedekar, Sachin D. Chaudhari, Mudavath Ravi, Sadhana S. Rayalu, Penumaka Nagababu
Summary: Efficiently addressing the challenges of photocatalytic CO2 reduction to CH3OH is crucial. This study developed Zn-BTC MOF and its composites with CaIn2S4, achieving highly efficient and robust photocatalytic CO2 reduction to CH3OH under ambient conditions, using H2O2 as the hydrogen source. Among the composites, ZMCIS4 demonstrated excellent performance with a CH3OH evolution of 49100 μmol/g.cat and a quantum efficiency of approximately 78.41%. The enhanced performance was attributed to the production of nascent hydrogen atoms (H center dot) through the photo-splitting of H2O2 on the ZMCIS surface.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Dan Liu, Yudong Li, Chengyu Wang, Haiyue Yang, Rong Wang, Shujun Li, Xiaohui Yang
Summary: In this study, a self-supporting three-dimensional porous Co3O4 nanobelt array decorated on nickel foam (P-Co3O4 -NBA@NF) electrode with numerous active sites was successfully constructed for the oxidation of 5-Hydroxymethylfurfural (HMF) to 2,5-furan dicarboxylic acid (FDCA). The P-Co3O4 -NBA@NF electrode demonstrated high conversion efficiency, selectivity, and Faraday efficiency, as well as remarkable long-term stability. This research provides a promising electrocatalyst for biomass conversion.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Yimin Li, Enggah Kurniawan, Fumiya Sato, Takayoshi Hara, Yasuhiro Yamada, Satoshi Sato
Summary: In this study, several silica-alumina catalysts modified with Ag were examined for the dehydration of 1,3-butanediol to 1,3-butadiene. Among them, an amorphous silica-alumina catalyst (SAL-3) modified with Ag showed the highest improvement in catalytic activity and stability when operated in H2 flow. The generation of reversible acid sites was found to be the reason behind the enhanced activity and stability of this Ag/SAL-3 catalyst. The effects of various parameters on the catalytic activity of Ag/SAL-3, such as reaction temperature, contact time, Ag content, and carrier gas, were investigated.
APPLIED CATALYSIS A-GENERAL
(2024)
