Article
Chemistry, Multidisciplinary
Shichen Xu, Ting Cheng, Qingwei Yan, Chao Shen, Yue Yu, Cheng-Te Lin, Feng Ding, Jin Zhang
Summary: This study reports a chloroform-assisted method for rapid growth of vertical graphene (VG) arrays in an electric field-assisted plasma enhanced chemical vapor deposition (PECVD) system, aiming to improve the thermal conductivity of graphene-based composite thermal interface materials (TIMs). The experimental results indicate that under the optimum intensity and direction of the electric field, and by introducing highly electronegative chlorine into the reactor, a record growth rate and a successful synthesis of 100 μm high VG are achieved. The theoretical study reveals, for the first time, that the introduction of chlorine can accelerate the decomposition of methanol and thus promote the growth of VG. Finally, a free-standing composite TIM using VG arrays as an excellent filler framework in a polymer matrix is constructed, which exhibits a high vertical thermal conductivity and an excellent cooling effect in the interfacial thermal dissipation of a light emitting diode.
Article
Biochemistry & Molecular Biology
Serkan Sayin
Summary: Dopamine is an important neurotransmitter in the human body, but abnormalities in its levels can be linked to various diseases. This study developed a new fluorescent sensor that can effectively detect dopamine with high sensitivity, demonstrating good selectivity and affinity.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Physical
Dexia Zhou, Boxu Zhao, Yimin Bai, Somnath Mukherjee, Jing Liu, Hongtao Bian, Yu Fang
Summary: The study revealed that calix[4]pyrroles can accelerate the vibrational energy redistribution of azide ions through hydrogen bonding interactions and restrict the rotational dynamics of the bound ions. Furthermore, they are capable of capturing azide ions in solution, but may not necessarily undergo a conformational change to a conelike geometry.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Energy & Fuels
Hang Xu, Shaokang Wang, Fengmin Wu, Qinlin Yuan, Yafei Guo, Yinke Zhang, Xuefeng Wei, Jun Zhang
Summary: One disadvantage of using inorganic solid catalysts is the production of solid waste. This study developed a fully organic supported ionic liquid catalyst for desulfurization. The catalyst showed excellent dibenzothiophene removal efficiency and remained effective even after six regeneration cycles. The likely mechanism involves the extraction and oxidation of DBT by the catalyst/oxone system.
Article
Chemistry, Physical
Amaury Kasprowiak, Ishfaq Ahmad Rather, Rashid Ali, Pierre-Edouard Danjou
Summary: In this study, a chemodosimetric approach using a repurposed calix[4]pyrrole sensor was developed for the selective detection and quantification of hydrazine. The sensor demonstrated a limit of detection of 1.3 mg/L and a linear response in the range of 10-1000 mu M for hydrazine. This study reports one of the first chemodosimetric approaches employed with calix[4]pyrrole for the detection and quantification of a neutral molecule, hydrazine.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Nanoscience & Nanotechnology
Yifang Wang, Mohannad Mayyas, Jiong Yang, Mohammad B. Ghasemian, Jianbo Tang, Maedehsadat Mousavi, Jialuo Han, Mostak Ahmed, Mahroo Baharfar, Guangzhao Mao, Yin Yao, Dorna Esrafilzadeh, David Cortie, Kourosh Kalantar-Zadeh
Summary: The method presented in the study utilizes liquid metal-based technology to achieve room temperature deposition and patterning of MoO2, providing a new way of fabrication. Through laser writing technique, electrically conductive MoO2 patterns can be obtained on desired substrates. The electrical conductivity and plasmonic properties of MoO2 are analyzed and demonstrated.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Nanoscience & Nanotechnology
Jinglun Yang, Xiangquan Liu, Jiaqi Tang, Andra Dedinaite, Jianfei Liu, Rong Miao, Kaiqiang Liu, Junxia Peng, Per Martin Claesson, Xiaoyan Liu, Yu Fang
Summary: The study presents a scalable strategy for manufacturing defect-free nanofilms with a large area, showcasing high water flux and antifouling properties. These nanofilms exhibit promising applications in wastewater treatment and pharmaceutical concentration due to their outstanding mechanical properties and unique group-selective separation capability.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Electrochemistry
Karolina Sipa, Karolina Kowalewska, Andrzej Leniart, Alain Walcarius, Gregoire Herzog, Slawomira Skrzypek, Lukasz Poltorak
Summary: In this study, localized and electrochemically assisted nylon-6,6 deposition was achieved at a three-phase junction by increasing the pH using electrochemical water reduction. The polycondensation reaction between 1,6-hexanediamine and adipoyl chloride occurred spontaneously at the liquid-liquid interface. This system design allows for very localized polyamide deposition.
ELECTROCHEMISTRY COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Monika Bak, Judith Mihaly, Gergo Gyulai, Istvan Szalai, Imre Varga, Robert Meszaros
Summary: Experiments revealed the formation of solid films at liquid interfaces through the interfacial association of anionic polyelectrolytes and surfactants. These films possess temperature sensitivity and offer an alternative to previously synthesized solid polyion/surfactant assemblies.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Biochemical Research Methods
Jun-Seong Ahn, Chang-Hyun Jang
Summary: An LC-based aptasensor has been developed to detect 17 beta-estradiol (E2) at picomolar levels by utilizing competitive reactions and interfacial events. The aptasensor changes the optical response of liquid crystals (LCs) through electrostatic interactions with a cationic surfactant (CTAB) and the aptamer. The conformational change of the aptamer due to binding with E2 weakens the electrostatic attraction, resulting in a dark optical image. The E2 sensor showed a detection limit of 3.1 pM in TBS and 6.8 pM in human urine, demonstrating high sensitivity and selectivity without the need for complex analysis equipment.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2023)
Article
Nanoscience & Nanotechnology
Shanshan Yang, Xiao Zhao, Zhiyuan Qi, Yi-Hsien Lu, Gabor Somorjai, Peidong Yang, Artem Baskin, David Prendergast, Miquel Salmeron
Summary: The study showed that the BTAH film provides effective protection for copper surfaces at negative biases, but is displaced by chloride ions at positive biases. By measuring the Gibbs adsorption energy, it was found that a stable Cl- structure is formed around the OCP, indicating that electronegative additives can enhance BTAH protection.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Inorganic & Nuclear
Yufeng Yao, Jiayi Yuan, Ming Shen, Bin Du
Summary: In this study, HRCA-ZnO-Au micro-nano materials were synthesized using a simple atmospheric reflux method. The morphology of ZnO was effectively controlled and the specific surface area of the sample was increased through shape manipulation and surface exposure, leading to a significant enhancement in the photocatalytic activity of ZnO-Au.
INORGANIC CHEMISTRY FRONTIERS
(2021)
Article
Biochemical Research Methods
Serkan Sayin, Seydahmet Cay
Summary: A novel naphthalimide-substituted calix[4]triazacrown-5 (Nap-Calix) was designed and synthesized as a fluorescent probe for the simultaneous detection of Co2+, Cd2+, and dopamine (DA). The structure of Nap-Calix was characterized using various techniques including H-1-NMR, C-13-NMR, ESI-MS, and elemental analysis. The binding property of Nap-Calix towards various metal ions showed a selective affinity towards Co2+ and Cd2+ ions. Furthermore, Nap-Calix exhibited excellent fluorescence behavior towards dopamine with a very low detection limit of 0.21 µmol L-1.
JOURNAL OF FLUORESCENCE
(2023)
Article
Chemistry, Applied
Cunzhi Zhang, Ming Wang, Xuejiao Lin, Shenming Tao, Xijun Wang, Yian Chen, Hongchen Liu, Yixiang Wang, Haisong Qi
Summary: In this study, high-quality boron nitride nanosheets were successfully exfoliated using eco-friendly holocellulose nanofibrils assisted ultrasound treatment. The resulting nanosheets had excellent dispersibility and high yields, and were assembled with cellulose fibers into nanocomposite films through interface engineering. The obtained films exhibited outstanding thermal conductivity and showed great potential for thermal management in flexible electronics applications.
CARBOHYDRATE POLYMERS
(2022)
Article
Chemistry, Physical
Vinay S. Sharma, Anuj S. Sharma, Suryajit L. Rathod, Hitendra A. Mali, Deepak Suthar, Mahendra S. Dhaka, Pranav S. Shrivastav
Summary: The newly synthesized symmetrical liquid crystalline compounds based on calix[4]pyrrole exhibited columnar hexagonal phase over a higher temperature range. Additionally, CPB2 compound showed potential as an optical window layer in thin film solar cell devices, displaying suitable transmittance and energy band gap. The findings suggest the suitability of calix[4]pyrrole functionalized supramolecular liquid crystal compounds as eco-friendly materials in solar cell applications.
Article
Chemistry, Inorganic & Nuclear
Maria Vasconcellos-Dias, Carla D. Nunes, Vitor Felix, Paula Brandao, Maria Jose Calhorda
Summary: New tungsten and molybdenum heptacoordinate complexes were synthesized and tested as homogeneous and heterogeneous catalysts for the oxidation of multifunctional olefins. Molybdenum catalysts showed high activity, especially when immobilized, while most of the tungsten complexes displayed lower activity, which decreased after immobilization. DFT calculations revealed differences in the oxidation behavior between tungsten and molybdenum complexes.
INORGANICA CHIMICA ACTA
(2021)
Article
Chemistry, Multidisciplinary
Poulami Pattanayak, Sankar Prasad Parua, Debprasad Patra, Paula Brandao, Vitor Felix, Ashoke Prasun Chattopadhyay, Surajit Chattopadhyay
Summary: Two new azo-imine ligands and their uranium complexes were synthesized and characterized, with the x-ray structure of one complex determined. The electronic properties and electron transitions of the complexes were rationalized using DFT calculations.
JOURNAL OF THE INDIAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Ahmed Zubi, Hawazin A. Alnafisah, Simon Turega, Igor Marques, Jose R. B. Gomes, Jim A. Thomas, Vitor Felix
Summary: The study demonstrates that the host-guest interactions of the bowl in different oxidation states are influenced by non-covalent interactions; binding to the alpha pocket is generally preferred, except for large and lipophilic hexafluorophosphate anionic guest in the highest oxidation states, where the beta pocket becomes relatively favorable.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Organic
Cristina Moiteiro, Igor Marques, William G. Ryder, Vasco Cachatra, Silvia Carvalho, Li-Jun Chen, Brian J. Goodfellow, Philip A. Gale, Vitor Felix
Summary: Using the chemical versatility of the benzo[b]thiophene motif, an extensive library of 24 (thio)urea receptors with different binding properties was studied. Experimental results showed that the lipophilicity and hydrogen bonding ability of the receptors play crucial roles in anion transmembrane transport activity.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Kevin Scholten, Christian Merten
Summary: Thioureas are commonly used in supramolecular anion recognition. This research investigates a chiral tris(thiourea) compound and reveals the ambiguity in its conformational preferences in complexes. The study shows that the computational results depend on the computational level and relative energies chosen for the calculations.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Medicinal
Andreia Fortuna, Rita Goncalves-Pereira, Paulo J. Costa, Radek Jorda, Veronika Vojackova, Gabriel Gonzalez, Niels Heise, Rene Csuk, M. Conceicao Oliveira, Nuno M. Xavier
Summary: This study describes the synthesis and biological evaluation of novel guanidino sugars as isonucleoside analogs. Some of the compounds showed selective inhibition of acetylcholinesterase and moderate antiproliferative effects in chronic myeloid leukemia and breast cancer cells. The most potent compound also exhibited low toxicity in human fibroblasts.
Article
Chemistry, Physical
Andre P. Carvalho, Sergio M. Santos, German Perez-Sanchez, Jose D. Gouveia, Jose R. B. Gomes, Miguel Jorge
Summary: We introduce a molecular modeling paradigm to study silica polymerization reactions in aqueous solutions under realistic experimental conditions. The model is simple, compatible with widely used force-fields, and allows for simulations of large systems over microsecond time scales.
NPJ COMPUTATIONAL MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Andrew Docker, Igor Marques, Heike Kuhn, Zongyao Zhang, Vitor Felix, Paul D. Beer
Summary: Chalcogen bonding (ChB) is a powerful noncovalent interaction based on sigma-hole that is rapidly gaining attention in supramolecular chemistry. Recent studies have shown that ChB donor strength and potency are highly sensitive to local electronic environments, including redox-switchable on/off anion binding and sensing capability.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Biochemistry & Molecular Biology
Vera Sousa, AderitoJ. R. Amaral, Edgar J. Castanheira, Igor Marques, Joao M. M. Rodrigues, Vitor Felix, Joao Borges, Joao F. Mano
Summary: This study reported the development of strong, homogeneous, transparent HA-functionalized G-quadruplex hydrogels with injectable, thermo-reversible, conductive, and self-healing properties. The supramolecular polymeric hydrogels were formed through hydrogen bonding and π-π stacking interactions between G, HA-PBA, and K+ ions. Microchannel-embedded 3D constructs exhibited enhanced cell viability compared to bulk hydrogels, indicating their potential in tissue regeneration, drug screening, or organ-on-a-chip applications.
Article
Chemistry, Physical
Paulo J. Costa, Frederico F. Martins, Chao Pi, Xiuling Cui, Maria Jose Calhorda
Summary: PdCl2 was found to catalyze the C-H activation of QOs through the formation of a metallacycle or an η(3)-QO complex. Activation at the C8 position resulted in a lower energy barrier compared to activation at the C2 position. The presence of water led to C8-H activation and the formation of 2-quinolinones.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Ona Sivickyte, Paulo J. Costa
Summary: Halogen bonds have various applications in catalysis, material design, anion recognition, and medicinal chemistry. Developing a simple, widely applicable, and computationally cheap descriptor is a challenge but can facilitate the discovery of new applications and improve existing ones.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Inorganic & Nuclear
Sara Realista, Paulo J. Costa, Luisa B. Maia, Maria Jose Calhorda, Paulo N. Martinho
Summary: Cyclic voltammetry and bulk electrolysis experiments showed that [Ni(ii)(salphen)] [1], [Ni(ii)(Bu-t-salphen)] [2], and a binuclear Ni(ii) compound combining salphen and Bu-t-salphen [3] can react with CO2 to generate a stable metal-carbonyl species under anaerobic conditions. When exposed to air, a stoichiometric amount of CO is released and protonation regenerates the initial complex. Through various spectroscopy studies and DFT calculations, it is proposed that the reduction of [Ni(i)(salphen)](-), (2)[1](-), leads to the formation of a CO2 complex, (2)[1(CO2)](-), which is further reduced to (3)[1(CO2)](2-). After protonation, the coordinated CO2 is reduced to CO and released, regenerating (1)[1]. The release of CO competes with CO2 in the second cycle, deactivating the system.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Medicinal
Andreia Fortuna, Paulo J. Costa
Summary: This study assessed the impact of three off-center point-charge (EP) models on the prediction of hydration free energies. The results showed that using certain EP models led to a slight improvement in the prediction of hydration free energies, especially for chlorinated compounds. However, this improvement was not related to the formation of halogen bonds but rather to the improvement in hydrogen bond sampling. The choice of EP model was particularly important for iodinated molecules, with compounds possessing a larger sigma-hole showing some improvement in prediction, while weaker XB donors showed significantly worse results.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Chemistry, Organic
Patricia Maximo, Miriam Colaco, Sofia R. Pauleta, Paulo J. Costa, Uwe Pischel, A. Jorge Parola, Nuno Basilio
Summary: The synthetic receptor cucurbit[8]uril (CB8) can form high-affinity host-guest complexes with dicationic dithienylethene (DTE) photoswitches in water. The formation of these complexes is driven by a combination of hydrophobic effects, ion-dipole, hydrogen- and chalcogen-bonding interactions. The binding affinities are much higher for the closed isomers of DTE, providing ideal conditions for the development of robust photoswitchable host-guest complexes.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Multidisciplinary
Ahmed Zubi, Hawazin A. Alnafisah, Simon Turega, Igor Marques, Jose R. B. Gomes, Jim A. Thomas, Vitor Felix
Summary: The interaction of self-assembled trinuclear ruthenium bowl with oxo-anions was investigated, revealing high anion binding affinities and selectivities. The host-guest interactions are driven by non-covalent interactions, with simple ion-ion interactions alone unable to accurately define recognition processes.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)