Article
Chemistry, Physical
S. Niranjani, C. B. Nirmala, P. Rajkumar, Goncagul Serdaroglu, N. Jayaprakash, K. Venkatachalam
Summary: This study explores the extremely coloured charge-transfer complexes (CTCs) formed between the antihyperlipidemic drug atorvastatin calcium (ATC) and electron acceptors such as iodine, chloranil, and DDQ. Various analysis techniques were used to understand the chemical mechanism of the synthesized ATC-CTCs, and their biological activities were tested against bacterial strains. Computational analysis was performed to predict the reactivity tendency and suitable attack site, as well as the non-covalent interactions that contribute to compound stabilization.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Spectroscopy
C. Balraj, S. Balaji, M. Karthikeyan
Summary: A study on the molecular charge-transfer interaction between a series of electron pi-acceptors and selected donors reveals consistent results between experimental and theoretical analyses. The order of complex formation strengths between donors and acceptors is observed, along with the identification of interaction sites on the donor molecules complexed with acceptors.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Multidisciplinary
Ahmed A. Abu-hassan
Summary: In this study, two selective approaches were used for the spectrophotometric analysis of atomoxetine. The analysis relied on charge transfer between atomoxetine base and p-chloranil and 2,3-dichloro-5,6-dicyano-p-benzoquinone. The proposed methods showed good accuracy and precision in the assessment of atomoxetine in pharmaceutical capsules.
Article
Biochemistry & Molecular Biology
Gamal A. E. Mostafa, Ahmed Bakheit, Najla AlMasoud, Haitham AlRabiah
Summary: This study evaluated the reactions of ketotifen fumarate (KT) with DDQ and TCNQ to form CT complexes using experimental and theoretical approaches. Spectrophotometric methods were validated for KT determination and the stability of the CT complexes was assessed. The molar ratio of KT:DDQ and KT:TCNQ was estimated as 1:1, and the complexes were successfully used for the quantitative determination of KT in its dosage form.
Article
Chemistry, Multidisciplinary
S. K. Manirul Haque, Yunusa Umar, Sirhan Al-Batty, Abdulla Sarief, Ahmed Abu-Judeh, Hussain Al-Awwad, Habibur Rahman
Summary: Spectrophotometric and computational methods were used to determine RGE in pharmaceutical formulations. Charge-transfer interaction of RGE is significant for its receptor-effective mechanisms. A reliable charge-transfer-based spectrophotometric evaluation method for RGE in its pharmaceutical formulation was developed. Rating: 7/10
SUSTAINABLE CHEMISTRY AND PHARMACY
(2023)
Article
Biochemistry & Molecular Biology
Gamal A. E. Mostafa, Tarek A. Yousef, Ali A. ElGamal, Atef M. A. Homoda, Haitham AlRabiah
Summary: To understand the interaction between bioactive molecules and receptors, this study investigated the properties and stability of charge transfer complexes formed by the electron donating bioactive molecule tamoxifen (TAM) and the electron accepting molecules 2,3-dichloro-5,6-dicyano-1,4benzoquinone (DDQ) and 7,7,8,8-tetracyanoquinodimethane (TCNQ). The results suggest that these complexes are suitable for evaluating TAM in pharmaceutical preparations.
BIOORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Gamal A. E. Mostafa, Tarek A. Yousef, Samir T. Gaballah, Atef M. Homoda, Rashad Al-Salahi, Haya I. Aljohar, Haitham AlRabiah
Summary: The molecular charge transfer reactions of quinine with 2,3-dichloro-5,6-dicyano-p-benzoquinone and 7,7,8,8-tetracyanoquinodimethane to form charge transfer complexes were studied. The stability of the complexes was assessed using various spectroscopic parameters. Theoretical calculations were performed to validate the experimental results and aid in data analysis.
APPLIED SCIENCES-BASEL
(2022)
Article
Chemistry, Physical
Abdel Majid A. Adam, Hosam A. Saad, Amnah M. Alsuhaibani, Moamen S. Refat, Mohamed S. Hegab
Summary: Researchers synthesized charge-transfer complexes containing azithromycin and three pi-acceptors using an efficient, simple, clean, and eco-friendly method. The study found that this method is environmentally friendly, avoids hazardous organic solvents, and generates the desired complexes with excellent yield.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Rajorshi Das, Michael Linseis, Stefan M. M. Schupp, Franciska S. S. Gogesch, Lukas Schmidt-Mende, Rainer F. F. Winter
Summary: Three binary charge-transfer (CT) compounds formed by the donor 2,2':6',2'':6'',6-trioxotriphenylamine (TOTA) and the acceptors F(4)TCNQ and F(4)BQ, as well as a CT compound formed by a pyrene-annulated azaacene (PAA) and the acceptor F(4)TCNQ, were reported. The identities of these compounds were confirmed by various spectroscopic techniques and single-crystal X-ray diffraction. The crystal structures revealed different stoichiometries for each compound, and the spectroscopic data indicated varying degrees of charge transfer. The compounds exhibited intricate packing motifs in the crystal lattice and showed CT transitions in the solid-state UV-vis-NIR spectra. The electrical conductivity of the compounds varied, with the CT compounds containing F(4)TCNQ being insulators and (TOTA)(2)·F(4)BQ showing weak conductivity.
Article
Physics, Applied
Noah J. Stanton, Rachelle Ihly, Brenna Norton-Baker, Andrew J. Ferguson, Jeffrey L. Blackburn
Summary: Single-walled carbon nanotubes (SWCNTs) are promising materials for next-generation energy-harvesting technologies, such as thermoelectric generators, due to their customizable opto-electronic properties and high charge carrier mobilities. This study develops a method for solution-phase doping of highly enriched semiconducting SWCNTs wrapped in polymers using a p-type charge transfer dopant, F(4)TCNQ. Introduction of the dopant at different stages of the SWCNT dispersion process impacts the thermoelectric performance and alters polymer selectivity for semiconducting vs metallic SWCNTs. Solution-doped thin films of semiconducting SWCNTs perform similarly to solid-state doped films, suggesting potential benefits for high-throughput deposition techniques in SWCNT-based thermoelectric materials and devices.
APPLIED PHYSICS LETTERS
(2021)
Editorial Material
Chemistry, Multidisciplinary
Qian Miao
Summary: Recent findings on the skeletal rearrangement of polycyclic aromatics under oxidative and acidic conditions are expected to advance the development of Scholl reactions into a more rational design-based method for synthesizing polycyclic aromatics with greater utility and versatility.
NATURE REVIEWS CHEMISTRY
(2021)
Article
Chemistry, Applied
Yu-Xia Zhang
Summary: In this study, new flexible EDAN-based COFs were synthesized using 4,4'-ethylenedianiline as a linker and 2,4,6-tris(4-formylphenoxy)-1,3,5-triazine and hexa(4-formyl-phenoxy)cyclotriphosphazene as knots through Schiff base reactions. The resulting COFs exhibited high crystallinity, sizable surface area, and thermal stability, and demonstrated good reversible vapor-trapped iodine adsorption capacities. The fluorescence quenching of the flexible TEDAN-based COFs was attributed to both electron transfer and energy transfer mechanisms.
MICROPOROUS AND MESOPOROUS MATERIALS
(2023)
Article
Chemistry, Organic
Cristian Cavedon, Eric T. Sletten, Amiera Madani, Olaf Niemeyer, Peter H. Seeberger, Bartholomaeus Pieber
Summary: A visible-light-mediated debenzylation method has been proposed to make benzyl ethers temporary protective groups, enabling new orthogonal protection strategies and compatibility with multiple functional groups simultaneously.
Article
Chemistry, Multidisciplinary
Ajun Tang, Yunpeng Li, Rui Wang, Jiawei Yang, Chaoqi Ma, Zhi Li, Qi Zou, Hongxiang Li
Summary: The molecular conductance of 2,3,5,6-tetrafluoro-7,7,8,8,-tetracyano-quinodimethane (F4TCNQ) with different electronic states was investigated using the scanning tunneling microscope break junction technique. The conductance of these electronic states follows the order of neutral > radical anion > dianion, with the conductance of the neutral state reaching 10^(-1.17)G(0) due to its LUMO energy level being close to the Fermi level of the gold electrode. Furthermore, neutral F4TCNQ can be gradually reduced to radical anions under a relatively low bias voltage of 100 mV. These findings will advance the development of organic optoelectronic devices and molecule electronics.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Organic
Heesun Yu, Ryangha Lee, Hyoungsu Kim, Dongjoo Lee
Summary: This study presents a diastereoselective synthesis method for trans-2-alkyl-6-aryl-3,6-dihydro-2H-pyrans, with good yield and moderate to excellent diastereoselectivity. The utility of this method was demonstrated in the total synthesis of two natural products.
Article
Chemistry, Physical
Adel Mostafa, G. Benjamin Cieslinski, Hassan S. Bazzi
JOURNAL OF MOLECULAR STRUCTURE
(2015)
Article
Spectroscopy
Siham Y. AlQaradawi, Adel Mostafa, Hassan S. Bazzi
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2015)
Review
Polymer Science
Jakkrit Suriboot, Hassan S. Bazzi, David E. Bergbreiter
Article
Polymer Science
Antsar R. Hlil, Janos Balogh, Salvador Moncho, Haw-Lih Su, Robert Tuba, Edward N. Brothers, Mohammed Al-Hashimi, Hassan S. Bazzi
JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY
(2017)
Article
Chemistry, Inorganic & Nuclear
Irene Bassanetti, Christina P. Twist, Myung-Gil Kim, Afif M. Seyam, Hassan S. Bazzi, Q. Jane Wang, Yip-Wah Chung, Luciano Marchio, Massimiliano Delferro, Tobin J. Marks
INORGANIC CHEMISTRY
(2014)
Article
Construction & Building Technology
Srinath R. Iyengar, Eyad Masad, Ana K. Rodriguez, Hassan S. Bazzi, Dallas Little, Howard J. M. Hanley
JOURNAL OF MATERIALS IN CIVIL ENGINEERING
(2013)
Article
Chemistry, Physical
Siham Y. AlQaradawi, Adel Mostafa, Hassan S. Bazzi
JOURNAL OF MOLECULAR STRUCTURE
(2013)
Article
Chemistry, Physical
Adel Mostafa, Nada El-Ghossein, G. Benjamin Cieslinski, Hassan S. Bazzi
JOURNAL OF MOLECULAR STRUCTURE
(2013)
Article
Polymer Science
Robert Tuba, Mohammed Al-Hashimi, Hassan S. Bazzi, Robert H. Grubbs
Article
Chemistry, Physical
Zhenxing Xi, Hassan S. Bazzi, John A. Gladysz
CATALYSIS SCIENCE & TECHNOLOGY
(2014)
Article
Chemistry, Multidisciplinary
Mohammed Al-Hashimi, M. D. Abu Bakar, Khaled Elsaid, David E. Bergbreiter, Hassan S. Bazzi
Article
Chemistry, Multidisciplinary
Thomas J. Malinski, Hassan S. Bazzi, David E. Bergbreiter
Article
Chemistry, Multidisciplinary
Dalila Chouikhi, Ihor Kulai, David E. Bergbreiter, Mohammed Al-Hashimi, Hassan S. Bazzi
APPLIED SCIENCES-BASEL
(2019)
Article
Biochemistry & Molecular Biology
Stephanie Schaefer-Ramadan, Maciej Barlogh, Jim Roach, Mohammed Al-Hashimi, Hassan S. Bazzi, Khaled Machaca
BIOORGANIC CHEMISTRY
(2019)
Article
Chemistry, Organic
Tathagata Mukherjee, Soumik Biswas, Andreas Ehnbom, Subrata K. Ghosh, Ibrahim El-Zoghbi, Nattamai Bhuvanesh, Hassan S. Bazzi, John A. Gladysz
BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY
(2017)
Article
Chemistry, Physical
Xinlei Chen, Shiyi Chen, Xuele Lin, Jingxuan Zhou, Xingjun Gao, Yaoqi Zhen, Xiaodan Ma, Shouwen Jin, Linfang Shi, Hui Liu, Daqi Wang
Summary: Nine mixed-ligand Cd2+ complexes with different geometric structures were synthesized and characterized. The complexes exhibit various coordination modes and form both intra- and intermolecular hydrogen bonds.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Rupali Mahajan, Abhishek Sharma, Bhagyashree Patra, Lijo Mani, Parul Grover, Sandeep Kumar, Santosh Kumar Guru, Gananadhamu Samanthula, Amol G. Dikundwar, Amit Asthana
Summary: This research article provides a comprehensive characterization and toxicological assessment of a photoisomeric impurity of the antianemic drug Roxadustat. The impurity has a distinct structure compared to the drug and its formation due to light exposure is a concern. Through various experiments, including single crystal XRD, physicochemical characterization, and in vitro cytotoxicity assays, the researchers confirmed the structure of the impurity, evaluated its conversion with Roxadustat, and assessed its toxicological activity. These findings contribute to the understanding of drug stability, safety, and formulation development.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Laila S. Alqarni, Azzah M. Alghamdi, Nuha Y. Elamin, A. Rajeh
Summary: The solution casting method was used to produce a new type of nanocomposites made of chitosan, gelatin, and co-doped ZnO nanoparticles. The addition of 3.5% co-doped ZnO nanoparticles improved the physicochemical characteristics and antimicrobial effects of the nanocomposites, indicating their significant potential in food packaging and energy storage.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ruchi Gaur
Summary: The structure and intermolecular interactions of a newly synthesized bis-chalcone THXA were studied using experimental and computational methods. The importance of non-covalent interactions such as pi center dot center dot center dot pi, C-H center dot center dot center dot S, and C-H center dot center dot center dot pi was revealed.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Andrii Bazylevich, Leonid Patsenker, Sarit Aviel-Ronen, Gary Gellerman
Summary: Drug combination therapy is commonly used for treating various skin disorders, but its effectiveness is often limited. In this study, researchers synthesized conjugates of anti-pigmenting drugs and hyaluronic acid (HA) to improve treatment efficacy. These HA-drug conjugates exhibited measurable drug release profiles and demonstrated superior depigmentation effects compared to control groups in a swine model.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Xiaodan Ma, Xinlei Chen, Yaoqi Zhen, Xunjie Zheng, Chengzhe Shi, Shouwen Jin, Bin Liu, Bin Chen, Daqi Wang
Summary: Cocrystallization experiments between minoxidil and aryl acids coformers resulted in the successful formation of multi-component samples. The nature of these samples was determined using various techniques and their structural and supramolecular aspects were investigated. The outcomes revealed the importance of nonbonding contacts and different types of interactions in stabilizing and expanding the crystal structures.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Najla A. Alshaye, Magdy A. Ibrahim, Al-Shimaa Badran
Summary: The chemical behavior of 3-substituted-6,8-dimethylchromones towards phenylhydrazine was examined. Different reaction conditions produced various products, and the molecular geometries and reactivity descriptors of the compounds were also investigated. The results suggest that these compounds are suitable for nonlinear optical applications.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Hayette Alliouche, Houria Bouria, Rafik Bensegueni, Mounia Guergouri, Abdelmalek Bouraiou, Ali Belfaitah
Summary: In this paper, a combined experimental and theoretical study was conducted to synthesize and characterize new 2-quinolone-piperidine and -morpholine hybrids. The results from experiments were validated using computational calculations, and the affinity between these compounds and Acetylcholinesterase/Butyrylcholinesterase was estimated through molecular docking.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Wei-Min Chen, Juan-Juan Shao, Yi Zhang, Zhen-Dong Xue, Peng-Lai Liu, Jian-Ling Ni, Li-Zhuang Chen, Qiang Gao, Fang-Ming Wang
Summary: This study synthesized and characterized a novel Mn-based LMOF, and achieved good results in detecting heavy metal Al3+ in water, showing good stability, high selectivity and sensitivity. This provides new insights into the potential applications of Mn-based MOFs in chemical sensing.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Jun-Xia Li, Yi-Jing Lu, Ke-Ying Quan, Li-Bing Wu, Xun Feng, Wei-Zhou Wang
Summary: This study synthesized two cobalt(II) complexes and analyzed their crystal structures using single-crystal X-ray diffraction. The results showed that the crystal structures of these complexes were different, and they exhibited different crystal packing and magnetic properties.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Yang Li, Yan Zhang, Hong Xu, Min Li, Zhen Li, Zi-yu Song, Ji-shi Chen, Yan-Jun Liu, Yong Sun, Zhao Yang
Summary: This study reports the synthesis and solid-state characterization of a new pharmaceutical cocrystal, PRO-BPE, which can enhance the solubility of the highly water-insoluble prodrug probenecid. The PRO-BPE cocrystals were found to have superior water solubility compared to pure PRO. This research provides valuable insights into improving the solubility of poorly soluble drugs.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Lucas G. B. Felicio, Bianca B. M. Vieira, Ivana S. Lula, Renata Diniz, Frank Alexis, Flavio B. Miguz, Frederico B. De Sousa
Summary: A novel spiropyran derivative was synthesized for heavy metals sensing in water. The results demonstrated that the new derivative can serve as a rapid, sensitive, and simple tool for detecting Hg2+ ions in water with high selectivity.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Junqing Meng, Jie Wang, Lijuan Wang, Chunhui Lyu, Haiyan Chen, Yingpei Lyu, Baisheng Nie
Summary: Material modification with low surface energy can achieve lower surface free energy on micro-and nano-rough structures, which is crucial for developing superhydrophobic surfaces. In this study, attapulgite (APT) was modified with alkylamine, alkylammonium salt, and stearic acid, and the interaction between low surface materials and attapulgite was explained. The results showed that the hydrophobicity of APT was significantly modified by the modifiers, and the surface free energy of the composites first decreased and then increased with increasing molecular number of low surface energy monomers.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Karan Goswami, Dipak Das, Parthasarathi Bera, Sounak Roy, Md. Motin Seikh, Prasanta Kumar Sinha, Arup Gayen
Summary: This work presents the development of a simple and highly active heterogeneous Pd catalyst for Suzuki-Miyaura carbon-carbon cross-coupling reaction. The NiPdFe-1 catalyst shows the best activity and stability among the prepared catalysts. It efficiently promotes the coupling reaction between aryl bromide and phenyl boronic acid under mild reaction conditions with high isolated yields.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ekta Pardhi, Devendra Singh Tomar, Rahul Khemchandani, Gananadhamu Samanthula, Pankaj Kumar Singh, Neelesh Kumar Mehra
Summary: The main aim of this study was to prepare a drug-drug coamorphous system to improve the physiochemical properties, solubility and stability of Apremilast and Indomethacin. Various solid-state characterization techniques were used to characterize the prepared system. Molecular level interactions were studied using molecular modeling and ATR-FTIR and 1H NMR. Solubility and dissolution studies showed the benefits of the coamorphous system. The system was found to be stable for a period of five months. Permeation study also demonstrated improved flux for both drugs compared to their crystalline forms. The coamorphous system showed anti-psoriatic and anti-melanogenic activity based on molecular docking results. Overall, the developed CAM-based supersaturated system exhibited improved physicochemical properties and physical stability.
JOURNAL OF MOLECULAR STRUCTURE
(2024)