Article
Chemistry, Applied
Chang Sun, Shuang Wang, Lu Han, Chen Wang, Buyuan Guan, Wenfu Yan
Summary: The study found that anions can penetrate into the micellar system of cationic surfactants, and the size and hydratability of different anions can affect the surfactant packing parameter. This insight into the location of anions provides a new understanding of the formation mechanism of mesoporous silica and other mesostructured materials in solution.
MICROPOROUS AND MESOPOROUS MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Yida Zhou, Huaizhong Shi, Bolun Wang, Guangrui Chen, Jian Yi, Jiyang Li
Summary: In this study, SAPO-34 plates with enhanced catalytic performance were successfully synthesized by introducing polyethylene glycol as an assisted template during crystallization. Through a two-step crystallization process in a concentrated gel system, the particle size was controlled effectively. The as-synthesized SAPO-34 plates showed significantly improved catalytic performance in MTO reactions with longer catalytic lifetime and higher selectivity for light olefins compared to conventional samples.
INORGANIC CHEMISTRY FRONTIERS
(2021)
Article
Chemistry, Physical
Shubham Tiwari, B. Moses Abraham, Jayant K. Singh
Summary: This study investigates the combined effect of surfactants and nanoparticles at the air-water interface, showing that the presence of nanoparticles reduces the efficiency of Triton X-100 and Tween 20 surfactants primarily due to the adsorption of surfactants on the nanoparticles. Density functional theory simulations reveal that the adsorption of non-ionic surfactants on silica nanoparticles decreases as the degree of ionization of the nanoparticles increases, in agreement with experimental observations.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Energy & Fuels
Yuxiang Liu, Hai Yu, Yingying Fu, Xinchun Liu, Delin Guo, Shuo Li, Shuo Tao, Yuchao Lyu, Xiaosheng Wang, Hailong Yu, Shitao Yu
Summary: An efficient hydrodeoxygenation catalyst (Pt/Beta) was designed to improve the quality of bio-oil by removing oxygen-containing functional groups. Hierarchical hollow Beta molecular sieves were prepared through alkaline treatment and the use of surfactants. Competitive adsorption of phenol on acid and metallic sites was observed on the Pt/Beta catalysts, with acid sites of higher acidity having stronger adsorption ability.
Article
Chemistry, Multidisciplinary
Navin Subba, Nilimesh Das, Pratik Sen
Summary: The study revealed the formation pathway of wormlike micelles and found that at extremely low concentrations of surfactant, the wormlike micelle reaches the highest size, and the relative concentration of wormlike micelles is highest at a certain ratio.
Article
Biochemistry & Molecular Biology
Yusei Kobayashi, Hirotaka Gomyo, Noriyoshi Arai
Summary: The phenomenon of drag reduction, known as the Toms effect, has various industrial and engineering applications, but a definitive molecular-level theory has not been established yet. A large-scale coarse-grained molecular simulation suggests that maintaining sufficiently large micellar structures and a homogeneous distribution of surfactant molecules is crucial for obtaining the drag-reduction effect in surfactant aqueous solutions. This simulation evidence highlights the role of micellar structures in drag reduction in pipe flow and aids in understanding the mechanisms of drag reduction by surfactant molecules under nonequilibrium conditions.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Biochemistry & Molecular Biology
Martina Lenarcic Zivkovic, Martin Gajarsky, Katerina Bekova, Petr Stadlbauer, Lukas Vicherek, Magdalena Petrova, Radovan Fiala, Ivan Rosenberg, Jiri Sponer, Janez Plavec, Lukas Trantirek
Summary: Our recent study demonstrates the formation of an unprecedented pseudocircular G-hairpin (PGH) structure in Saccharomyces cerevisiae telomeric DNA. High-resolution NMR structure of a novel PGH family member reveals atomistic details on the junction between ssDNA and the PGH unit, providing insights into minimal sequence requirements for PGH formation. Time-resolved NMR data suggest a complex kinetic partitioning mechanism for PGH folding and the existence of K+ ion-dependent folding intermediates, explaining cation-type-dependent formation and hysteresis observed in previous studies.
NUCLEIC ACIDS RESEARCH
(2021)
Article
Chemistry, Physical
Long Su, Jichao Sun, Feng Ding, Yanan Gao, Xinpei Gao, Liqiang Zheng
Summary: This study investigated the influence of a photo-responsive surfactant on the dispersion and aggregation of graphene using molecular dynamics simulation. Different adsorption configurations were found to have significant effects on the dispersibility of graphene.
APPLIED SURFACE SCIENCE
(2021)
Article
Energy & Fuels
Han Jia, Peng Lian, Hui Yan, Jie Yuan, Hongtao Tang, Xin Wei, Jinyong Song, Juan He, Kaihe Lv, Dexin Liu
Summary: The study revealed that there are discrepancies in the distribution of anionic surfactants in light and heavy oil systems, with the formation of the SDS-Water-Asphaltenes (S-W-A) ternary structure playing a key role in determining the distribution of surfactants in different oil-water systems.
Article
Energy & Fuels
Lixia Zhou, Shengchao Li, Kaixuan Wang, Youguo Yan
Summary: This study investigates the effect of mixed cationic and anionic surfactants on the oil/water interfacial tension through experimental and simulation methods. It is found that the mixed surfactants can produce lower interfacial tension compared to individual surfactants. The underlying mechanism of tension modulation is revealed through a detailed analysis of interfacial structure and energy. The results of this study have potential implications for enhanced oil recovery.
PETROLEUM SCIENCE AND TECHNOLOGY
(2022)
Article
Biochemistry & Molecular Biology
Javed Masood Khan, Ajamaluddin Malik, Sundus Mohammed Alresaini
Summary: Protein aggregation and amyloid fibrillation are associated with neurodegenerative disorders. This study investigated the effects of CTAB on the aggregation process of insulin at pH 7.4 and 2.0. The results showed that low concentrations of CTAB induced insulin aggregation at pH 7.4, but higher concentrations did not. However, at pH 2.0, both low and high concentrations of CTAB were unable to promote insulin aggregation.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Chemistry, Physical
Henryk Turski, Pawel Wolny, Mikolaj Chlipala, Marta Sawicka, Anna Reszka, Pawel Kempisty, Leszek Konczewicz, Grzegorz Muziol, Marcin Siekacz, Czeslaw Skierbiszewski
Summary: Atomically thin metal adlayers are used as surfactants in semiconductor crystal growth, with the role of the adlayer in dopant incorporation in GaN being unexplored. Experimental study shows that the presence of atomically thin gallium or indium layers dramatically affects Ge incorporation in GaN, with indium surfactant layer promoting Ge incorporation while gallium surfactant layer promotes segregation of Ge to the surface. Understanding the role of surfactants is crucial for controlling GaN doping and achieving high n-type doping levels using Ge.
Article
Engineering, Chemical
Chao Zhang, Zhichao Zhang, Longxiang Bu, Yang Yang, Wei Xiong, Yueshe Wang
Summary: This study simulated the interaction between particles composed of surface active malonic acid (MA) or adipic acid (AA) and water using the molecular dynamics method. The combined effect of temperature and water content on the structural properties of particles and the surface propensity of surfactants was investigated. The results showed the formation of demixed structure 1, mixed structure, and demixed structure 2. The surface propensity of MA and AA initially increased and then weakened with increasing temperature. Near the standard atmospheric temperature, the surface propensity of MA and AA increased with increasing water content and alkyl group, and its sensitivity to temperature and water content varied regularly. In addition, all surfactants at the particle surface oriented their hydrophobic groups toward the gas phase. These findings contribute to a better understanding of surfactant partitioning and can improve the prediction of particle hygroscopic growth more accurately.
Article
Chemistry, Applied
Yaqing Xiao, Yingnan Liu, Shufang Kang, Huaide Xu
Summary: This study found that incorporating cellulose nanocrystals (CNC) into soy protein isolate films can effectively improve the film properties, including tensile strength, barrier properties, and water resistance. The appropriate addition of CNC can promote the construction of a more homogeneous and compact film structure, while excessive addition may weaken the functional properties.
Article
Engineering, Chemical
Xiaoxing Niu, Shidong Zhou, Deng Pan, Yuanliang Zhao, Lei Li
Summary: This paper investigates the role of debris in the formation of polytetrafluoroethylene (PTFE) film using molecular dynamic simulation. The results show that the internal structure of PTFE debris is resistant to change due to strong cohesion, and thicker debris tends to adhere to the iron surface while thinner debris tends to adhere to the PTFE matrix.
POLYMER ENGINEERING AND SCIENCE
(2022)
Article
Chemistry, Inorganic & Nuclear
Vaibhav Bedi, Dipendu Mandal, Zahid Hussain, Shi-Ming Chen, Yile Wu, Zheng-Wang Qu, Stefan Grimme, Douglas W. Stephan
Summary: The reaction of (tBuO(2)CN)(2) with 9-BBN leads to the formation of a bicyclic heterocyclic compound, while its reactions with BF3 or [Et3Si][B(C6F5)(4)] result in the isolation of different compounds. Computational studies reveal that the steric and electronic properties of the Lewis acid are important in the formation of one of the compounds.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Chisa Itoh, Haruka Yoshino, Taku Kitayama, Wataru Kosaka, Hitoshi Miyasaka
Summary: A new synthetic route for constructing functional paddlewheel diruthenium(II,II) complexes was developed, utilizing Schiff base condensation reactions. The attached Schiff base groups significantly affected the electronic states of the resulting complexes, as revealed by cyclic voltammetry and DFT calculations.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Danrui Ni, Haozhe Wang, Xianghan Xu, Weiwei Xie, Robert J. Cava
Summary: A layered rhombohedral polymorph of indium(iii) triiodide is synthesized at high pressure and temperature. It has an orange color, which is different from ambient pressure InI3, which has a monoclinic molecular structure and a light-yellow color.
DALTON TRANSACTIONS
(2024)
Review
Chemistry, Inorganic & Nuclear
Juan Carlos Perez-Sanchez, Raquel P. Herrera, M. Concepcion Gimeno
Summary: Gold(II) complexes have been less utilized in catalysis compared to their gold(I) and gold(III) counterparts. However, gold(II) complexes offer potential in homo-coupling and cross-coupling reactions, as they are more easily accessible through simplified oxidation and reduction processes. Gold(II) exhibits characteristics of both soft acid gold(I) and hard acid gold(III). This review explores the unique reactivity and potential applications of gold(II) species, highlighting their significance in catalytic transformations.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Nighat Yousuf, Yanping Ma, Qaiser Mahmood, Wenjuan Zhang, Yizhou Wang, Hassan Saeed, Wen-Hua Sun
Summary: In this study, a series of structurally rigid cyclooctyl-fused iminopyridine iron complexes were synthesized and used with methylaluminoxane for isoprene polymerization. The extent of steric hindrance of the ligand framework was found to significantly affect catalytic performance, with less hindrance leading to better activity and stability.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Chenghao Song, Huiwei Du, Menglei Xu, Jie Yang, Xinyu Zhang, Jungan Wang, Yuanfang Zhang, Chengjun Gu, Rui Li, Tao Hong, Jingji Zhang, Jiangying Wang, Yongchun Ye
Summary: This study improves the performance of perovskite solar cells by using a dual-hole transport layer strategy. This strategy enhances the charge transfer efficiency of the transport layer, reduces charge recombination, and improves the quality of the perovskite film layer. Ultimately, the stability of the device is enhanced.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Mahender Singh, Aakash Yadav, Ranjit Singh, Chullikkattil P. Pradeep
Summary: A new aryl selenonium polyoxometalate hybrid was developed and compared with an aryl sulfonium polyoxometalate hybrid in terms of their photocatalytic properties. It was found that the aryl selenonium hybrid exhibited better catalytic performance, which could be attributed to the larger atomic radii of selenium stabilizing the photogenerated electron-hole pair more efficiently. Additionally, the generation of elemental selenium through cleavage of C-Se bonds during catalysis was observed.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Yuhan Xie, Boyu Dong, Xuemin Wang, Siyuan Wang, Jinxi Chen, Yongbing Lou
Summary: This study successfully fabricated visible-light-responsive three-dimensional core-shell CoSe2/ZnIn2S4 heterostructures and achieved attractive activity in photocatalytic hydrogen evolution. The presence of CoSe2 improved light absorption and accelerated charge transfer kinetics. The strong interaction between CoSe2 and ZnIn2S4 reduced charge recombination, further enhancing photocatalytic activity for hydrogen evolution.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Andre L. de O. Batista, Joao Marcos T. Palheta, Mauricio J. Piotrowski, Celso R. C. Rego, Diego Guedes-Sobrinho, Alexandre C. Dias
Summary: This study presents a simulation protocol that provides a solid foundation for exploring two-dimensional materials. Using the TiBr2 2H monolayer as an example, the study reveals its promising properties for optoelectronic and valleytronic applications, including its stability, spin-orbit coupling effects, and optical helicity selection rule.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Jiang Jiang, Zi-Wei Li, Zhi-Zhuan Zhang, Bin Tan, Zhao-Feng Wu, Xiao-Ying Huang
Summary: In this work, two metal organic frameworks (MOFs) containing {Cu2I2} clusters, Eu-CuI-INA and Sr-K-CuI-INA, were synthesized and characterized. Both materials have a three-dimensional structure with {Cu2I2} clusters coordinated by INA(-) ligands and Eu3+ or Sr2+ ions. The Sr-K-CuI-INA material exhibited sensitive fluorescence sensing behaviors towards cysteine and nitro-bearing molecules, showing potential applications in bio and explosive molecule sensing. This work provides a good reference for designing fluorescent MOF probes containing CuI molecules.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Zhiya Lin, Jiasheng Wu, Qianwen Ye, Yulong Chen, Hai Jia, Xiaohui Huang, Shaoming Ying
Summary: Na-ion batteries (NIBs) have attracted great interest as a potential technology for grid-scale energy storage due to the wide distribution, low cost, and environmental friendliness of sodium resources. However, their implementation is hindered by low rate capability and cycling stability caused by the large ionic size of Na+. In this study, a three-dimensional nanoarchitectured coral-like CoSe2@N-doped carbon (CL-CoSe2@NC) was synthesized, and it exhibited improved sodium storage properties with better electrode kinetics and a stable SEI film.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Ya-Qiong Zhang, Yu Zhang, Guoping Zeng, Rong-Zhen Liao, Man Li
Summary: The mechanism and selectivity of CO2 reduction under visible light were investigated using density functional calculations. The results showed that a tetradentate PNNP-type Iridium(III) complex exhibited high activity and selectivity in the reaction.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Sanyukta Ghosh, Shubhanth Jain, Soumya Ranjan Mishra, Gerda Rogl, Peter Rogl, Ernst Bauer, B. S. Murty, A. Govindaraj, Ramesh Chandra Mallik
Summary: In this study, reduced graphene oxide (rGO) was uniformly dispersed in the In0.5Co4Sb12 bulk material by ultrasonication, which effectively reduced the lattice thermal conductivity and improved the thermoelectric efficiency.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Mika Takeuchi, Yutaka Amao
Summary: This study developed an effective visible-light driven system for fumaric acid production using renewable resources such as biomass derivatives, providing an alternative to the current petroleum-based synthesis methods.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Juan Jian, Meiting Wang, Zhuo Wang, Jingwen Meng, Yuqin Yang, Limin Chang
Summary: Developing low-cost and self-supported bifunctional catalysts is crucial for highly efficient water splitting devices. In this study, nano-NiFe2O4 was directly grown onto iron foil surface and Sn4+ was introduced into the NiFe2O4. The resulting Sn-NiFe2O4/IF showed low overpotentials and high current densities during oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), making it a promising catalyst for large-scale hydrogen production.
DALTON TRANSACTIONS
(2024)