Article
Biochemistry & Molecular Biology
Syed Ismattowaha Parvin, Md. Kalimuddin Mandal, Priyanka Gopi, Shweta Singh, Mahammad Rizwan Khan, Prateek Pandya, Md. Maidul Islam, Harun Al Rasid Gazi
Summary: This study examined the affinities of thymol and thymoquinone obtained from thyme and black seed towards calf thymus DNA and protein. Spectroscopic and molecular modeling analysis revealed that both compounds had a strong binding affinity to DNA and protein. The binding process involved the interaction of several free energy functions and hydrogen bonding.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Physical
Ola A. El-Gammal, Farid Sh Mohamed, Ghada N. Rezk, Ashraf A. El-Bindary
Summary: Metal complexes of Co(II), Ni(II) and Cu(II) with a new Schiff base have been synthesized and characterized. The study suggests potential therapeutic applications against cancer and COVID-19. Additionally, antioxidant and antibacterial activities of these complexes have been evaluated.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Medicinal
Sonaly Lima Albino, Willian Charles da Silva Moura, Malu Maria Lucas dos Reis, Gleyton Leonel Silva Sousa, Pablo Rayff da Silva, Mayara Gabriele Carvalho de Oliveira, Tatiana Karla dos Santos Borges, Lucas Fraga Friaca Albuquerque, Sinara Monica Vitalino de Almeida, Maria do Carmo Alves de Lima, Selma Aparecida Souza Kuckelhaus, Igor Jose dos Santos Nascimento, Francisco Jaime Bezerra Mendonca Jr, Teresinha Goncalves da Silva, Ricardo Olimpio de Moura
Summary: The present study synthesized a new acridine derivative and characterized its chemical properties. Its potential as an antileishmanial agent was investigated through in vitro assays. The compound showed good antileishmanial activity and non-cytotoxicity to macrophages. It also exhibited a slight immunomodulatory activity and interacted with DNA, suggesting a potential molecular target.
Article
Chemistry, Applied
Mona A. Alamri, Mutlaq. Al-Jahdali, Najlaa S. Al-Radadi, Mostafa A. Hussien
Summary: This study synthesized a series of metal complexes of triazene ligands and characterized them using various analytical methods. The cytotoxic and DNA binding activities of the complexes were studied, revealing that the Zn(II) complex exhibited the highest activity. Molecular docking results correlated well with the cytotoxicity experiments.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Payal Rani, Sandhya Chahal, Roshan Kumar, Mayank, Parvin Kumar, Arvind Negi, Rajvir Singh, Sudhir Kumar, Ramesh Kataria, Gaurav Joshi, Jayant Sindhu
Summary: Cancer is a global epidemic and a major cause of death. Existing chemotherapy drugs often have limited use due to their side effects, so it is important to investigate new drugs for cancer treatment. Researchers have developed an electrochemical method to synthesize a series of thiol-linked pyrimidine derivatives and tested their anti-cancer potential. The most effective compounds, 3b and 3d, showed promising results against breast and colorectal cancer cell lines, with IC50 values ranging from 0.98 to 2.45 μM. Further studies revealed that these compounds can intercalate with DNA and selectively inhibit human topoisomerase, validating their potential as anti-cancer agents.
BIOORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Usman Sani Muhammad, Sultan Erkan, Savas Kaya
Summary: The structural and spectroscopic properties of synthesized and hypothetical complexes formed by attached boranic acid esters were calculated and characterized. The complexes with diboranic acid ester were predicted to have higher biological abilities and anticancer activities were confirmed through docking experiments with Burkitt's lymphoma cell line. The electronic properties of the complexes were evaluated by examining NLO and OLED properties.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Biochemistry & Molecular Biology
Annick van Niekerk, Angelique Blanckenberg, Serah Kimani, Suparna Chakraborty, Sharon Prince, Prinessa Chellan, Selwyn Mapolie
Summary: Triple-negative breast cancer (TNBC) has a low survival rate and current chemotherapy options have severe side effects and drug resistance. Palladium compounds show promise as alternatives with less toxicity and selectivity towards TNBC. This study reports the design and synthesis of benzylidene palladacycles with different phosphine bridging ligands. BTC2 emerges as a more soluble and less toxic compound with effective anticancer properties. It displays multimodal DNA binding properties and can be transported by albumin in mammalian cells.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2023)
Article
Chemistry, Physical
Athi Welsh, Mziyanda Mbaba, Sharon Prince, Gregory S. Smith
Summary: This study describes the synthesis of 2-ferrocenylbenzimidazole metallofragments with varying substituents in the 5-position of a benzimidazole scaffold, and investigates their potential interactions with proteins. The trinuclear complexes showed higher affinity and superior binding energies compared to monomeric congeners, and some synthesized compounds exhibited moderate cytotoxic activity against breast cancer cell lines.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Inorganic & Nuclear
Bai-Hua Chen, Zheng-Yin Pan, Wen-Wen Feng, Qi-Yan Liu, Yingju Liu, Liang He
Summary: In this study, two novel copper(II) complexes containing a beta-carboline derivative and amino acids were designed and synthesized. Both complexes bind to DNA and exhibit good affinity for human serum albumin. Moreover, the antitumor activity of these complexes against various cancer cells is significantly superior to that of cisplatin. The study also provides insights into the anticancer mechanism of the complexes, which involve apoptosis induction through mitochondrial damage, oxidative stress, and activation of the caspase protein family. This research highlights the potential of copper-based therapeutics by incorporating aromatic heterocyclic alkaloid ligands and water-soluble amino acid ligands into copper complexes.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Physical
Ola A. El-Gammal, Ashraf A. El-Bindary, Farid Sh Mohamed, Ghada N. Rezk, Mohamed A. El-Bindary
Summary: This study investigates the properties of a novel Schiff base and its complexes with Co(II), Ni(II), and Cu(II) metals using various analysis methods. The research covers structural characterization, thermodynamic properties, DNA binding, antioxidant activity, and antibacterial action. The potential of the compound in combating COVID-19 and prostate cancer is evaluated through its interaction with the SARS-CoV-2 main protease.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Biochemistry & Molecular Biology
Ravi A. Dabhi, Milan P. Dhaduk, Vaibhav D. Bhatt, Bhupesh S. Bhatt
Summary: A series of heterocyclic compounds based on spiro quinoxaline-beta-lactam were synthesized and characterized. The compounds were found to bind with DNA through partial intercalation mode and exhibited antimicrobial and anticancer activities.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Shama Yasmeen, Faizan Abul Qais, Manish Rana, Asimul Islam, Rahisuddin
Summary: The interactions between thalidomide and DNA were investigated using various biophysical techniques. The results showed that thalidomide binds to the minor groove of DNA through electrostatic attraction. This study provides a better understanding of the binding affinity and mechanism between thalidomide and DNA.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2022)
Article
Chemistry, Physical
Ghulam Abbas, Ahmad Irfan, Ishtiaq Ahmed, Firas Khalil Al-Zeidaneen, S. Muthu, Olaf Fuhr, Renjith Thomas
Summary: The recent outbreak of COVID-19 has highlighted the urgent need for effective drugs and vaccines. Ferrocene derivatives, previously investigated for other applications, show potential as antiviral candidates. Research has identified a particular ferrocene compound with strong inhibitory effects, opening up new possibilities in drug development.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Applied
Prama Bhattacherjee, Mousam Roy, Avigyan Naskar, Hsieh-Chih Tsai, Abhrajyoti Ghosh, Niladri Patra, Rohith P. John
Summary: A trinuclear copper complex was synthesized using a tribasic naproxen-appended ligand and 1,10-phenanthroline, characterized by various spectroscopic methods and X-ray diffraction analysis. The complex showed higher binding affinity with DNA compared to the ligand, and molecular docking study revealed an intercalative mode of interaction between the complex and DNA.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Chemistry, Applied
Emel Karakilic, Zuhal Alim, Mustafa Emirik, Arif Baran
Summary: Two novel metallophthalocyanines were synthesized and characterized for their solubility and properties, including UV-Vis, FT-IR, and NMR. The compounds exhibited strong inhibitory effects on human erythrocyte carbonic anhydrase isoforms, supported by molecular docking studies. The binding interaction of metallophthalocyanines with enzymes was analyzed in detail.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Metallurgy & Metallurgical Engineering
Javeria Anwar, Khuram Shahzad Ahmad, Shaan Bibi Jaffri, Manzar Sohail
Summary: This work investigates the growth and properties of low-cost barium sulphide-doped antimony sulphide thin films by physical vapour deposition. The results show that the introduction of barium sulphide enhances the absorption and photo-response of the antimony sulphide thin films, while the films maintain a dense structure and good functional stability.
CANADIAN METALLURGICAL QUARTERLY
(2022)
Article
Materials Science, Ceramics
Sadaf Batool, Zakir Hussain, Usman Liaqat, Manzar Sohail
Summary: This study reports a facile synthesis method for bone whitlockite using a solid-state reaction. Characterization analysis confirmed the presence of whitlockite crystalline phase and characteristic peak of bone whitlockite in the synthesized material. The synthesized particles have an appropriate size and are stable within a certain temperature range.
CERAMICS INTERNATIONAL
(2022)
Article
Materials Science, Multidisciplinary
Nitasha Komal, Ghulam Ali, Manzar Sohail, Muhammad Mazhar, Zahida Malik, M. Hamid Sarwar Wattoo
Summary: This article examines the acceptance of women as shamans in North and Central Asian Shamanism and as witches in Continental Europe during the Middle Ages, focusing on their roles in healing practices and the reasons behind them. It discusses historical evidence that demonstrates mankind's interest in its environment and fascination with unknown, mysterious, and mystical events throughout the cultural process.
MATERIALS CHEMISTRY AND PHYSICS
(2023)
Article
Biochemistry & Molecular Biology
Amna Altaf, Manzar Sohail, Ayman Nafady, Rashid G. Siddique, Syed Shoaib Ahmad Shah, Tayyaba Najam
Summary: The depletion of fossil fuels and environmental pollution has driven scientists to develop renewable and green energy sources. Photocatalytic water splitting is an effective strategy for producing clean hydrogen fuel in the emerging hydrogen economy. In this study, the photocatalyst (PdO.TiO2) was introduced to accelerate the oxygen evolution reaction (OER) in a photoelectrochemical system. The catalyst demonstrated a significant increase in current density from 0.89 mA/cm2 (dark) to 4.27 mA/cm2 (light) during OER at an applied potential of 0.5 V. With a Tafel slope of 170 mVdec(-1) and an efficiency of 0.25% at 0.93 V, the synthesized PdO.TiO2 material showed promising photocatalytic activity, encouraging further exploration of related catalysts for facilitating OER.
Review
Biochemistry & Molecular Biology
Syed Shoaib Ahmad Shah, Naseem Ahmad Khan, Muhammad Imran, Muhammad Rashid, Muhammad Khurram Tufail, Aziz ur Rehman, Georgia Balkourani, Manzar Sohail, Tayyaba Najam, Panagiotis Tsiakaras
Summary: The hydrogen evolution reaction (HER) is a promising technology for delivering clean energy using renewable sources. The use of transition metal tellurides (TMTs) and transition metal phosphides (TMPs) as electrocatalysts has emerged as a highly efficient, low-cost, and stable alternative to platinum-based catalysts. This review focuses on the progress made in the past decade, providing a detailed summary of their development and offering guidelines for the design of new electrocatalysts for energy conversion and storage technologies.
Article
Chemistry, Multidisciplinary
Fatima Sajid, Naila Jabeen, Latif U. Khan, Manzar Sohail, Adeela Rehman, Zareen Akhter
Summary: The increased emission of volatile organic compounds (VOCs) and their adverse effects on the environment have led to the development of more economical and sustainable sensing technologies. Ethanol, a member of the VOC family, has harmful effects on human health and the environment. Therefore, there is a high demand for an efficient electrocatalyst for ethanol detection at ambient temperature. In this study, NiO-based sensing material was successfully synthesized by modifying NiO through transition metals doping (8% Cu and 8% Zn) and codoping (4% Cu + 4% Zn). The synthesized catalysts were characterized by various techniques, and it was found that the codoped NiO exhibited better catalytic performance for ethanol detection with a wide linear range and a low detection limit.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2023)
Article
Materials Science, Multidisciplinary
Syed Shoaib Ahmad Shah, Muhammad Sufyan Javed, Tayyaba Najam, Muhammad Altaf Nazir, Aziz ur Rehman, Abdul Rauf, Manzar Sohail, Francis Verpoort, Shu-Juan Bao
Summary: This article provides a comprehensive explanation of the designed fabrication of COFs for heterogeneous catalysis and discusses the advantageous features of COFs as catalysts. It also highlights the active sites in COFs and presents future perspectives and challenges.
Article
Chemistry, Multidisciplinary
Nitasha Komal, Muhammad Adil Mansoor, Muhammad Mazhar, Manzar Sohail, Zahida Malik, Muhammad Anis-ur-Rehman
Summary: Trivalent samarium (Sm)-and indium (In)-doped Sb2Te3 microstructures have been synthesized by the solvothermal method. The successful synthesis of undoped and doped Sb2Te3 microstructures was verified through various characterization techniques. The doping with (Sm, In) was found to enhance the electrical conductivity and reduce the thermal conductivity, showing promising electronic and thermoelectric properties.
Article
Engineering, Environmental
Muhammad Aizaz Ud Din, Syed Shoaib Ahmad Shah, Muhammad Sufyan Javed, Manzar Sohail, Aziz ur Rehman, Muhammad Altaf Nazir, Mohammed A. Assiri, Tayyaba Najam, Nanpu Cheng
Summary: Single atom catalysts (SACs) have high catalytic performance and selectivity. MXenes, as a new 2D material with rich chelating sites, serve as ideal supports for SACs. This paper summarizes the structural characteristics and preparation strategies of MXene, and discusses its energy conversion applications.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Energy & Fuels
Arslan Hameed, Fatima Nasim, Nimra Nisar, Hassan Ali, Ahsanulhaq Qurashi, Dalaver Anjum, Manzar Sohail, Muhammad Arif Nadeem
Summary: A heterointerface structure of NiCo-alloy@CeO2, synthesized in this study, exhibits effective and enduring electrocatalytic ability toward oxygen evolution reaction (OER) and oxygen reduction reaction (ORR). It shows potential for application in water splitting and regenerative metal-air battery systems.
Article
Environmental Sciences
Muhammad Fiaz, Manzar Sohail, Ayman Nafady, Geoffrey Will, Md A. Wahab
Summary: A facile two-step hydrothermal method was used to prepare a Bi2WO6/WS2 heterojunction photocatalyst for methyl blue (MB) photodegradation. The prepared photocatalyst showed increased visible light absorption and exhibited high degradation efficiency for MB under sunlight irradiation. The degradation activity improved with higher pH and higher catalyst concentration, and the catalyst 0.01 Bi2WO6/WS2 showed the highest activity. The findings from this study could contribute to the development of highly efficient photocatalysts for water remediation.
ENVIRONMENTAL RESEARCH
(2023)
Article
Chemistry, Physical
Fazeelat Rehman, Noor Alam, Manzar Sohail, Muhammad Ahmad, Muhammad Israr Siddiqui, Muhammad Imran Irshad, Asad Mumtaz
Summary: In this study, a heterojunction structure of BiVO4@Fe-TiO2 NRs was developed to improve the photoelectrochemical water splitting efficiency. Structural characterization and morphological studies confirmed the introduction of extrinsic defects and the uniform deposition of core-shell heterostructure. The photoelectrochemical studies showed that BiVO4@0.2 %FeTiO2 exhibited the highest photocurrent density of 1.52 mA/cm2 at 1.23 vs. RHE and 100 mW/cm2 light intensity, significantly higher than BiVO4@undoped TiO2 NRs (0.52 mA/cm2) and pristine TiO2 NRs (45 μA/cm2). These findings highlight the importance of modified host substrates in enhancing PEC performance through improved electron mobility, efficient interfacial charge transfer, and enhanced electron quenching window in type-II heterojunctions.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
Article
Chemistry, Physical
Hafiza Komal Zafar, Manzar Sohail, Ayman Nafady, Kostya Ken Ostrikov, Geoffrey Will, Md A. Wahab, Anthony P. O'Mullane
Summary: The use of fossil fuels poses a threat to the Earth's climate and its inhabitants. Photoelectrochemical water splitting has emerged as a promising solution to produce oxygen and hydrogen in a cost-effective and environmentally friendly manner. This study presents the development of S-doped Cu3Se2 thin films using a chemical bath deposition process to enhance PEC water oxidation efficiency.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Physical
Mudassir Jamil, Muhammad Nadeem Akhtar, Muhammad Imran, Ayesha Javaid, Hafiza Komal Zafar, Manzar Sohail, Murad A. Aldamen, Magdalena Fitta, Monther A. Khanfar, Raed A. Al-Qawasmeh
Summary: In this study, a copper(II) complex was prepared and characterized. The complex showed good photocatalytic activity under UV light irradiation, with an optimized photocatalytic activity of 70.71%. Additionally, the complex exhibited a low overpotential and good stability in the oxygen evolution reaction.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Nazish Qadeer, Naila Jabeen, Latif U. Khan, Manzar Sohail, Muhammad Zaheer, Muhammad Vaqas, Afia Kanwal, Fatima Sajid, Samina Qamar, Zareen Akhter
Summary: The goal of this study was to synthesize cerium oxide-based nano-additives to reduce emissions from gasoline-fueled spark ignition engines. It was found that nano-sized CeO2 catalysts doped with transition metal ions effectively reduced harmful exhaust pollutants such as CO, HC, and NOx, which can be attributed to their large surface area, better redox characteristics, and the presence of structural defects.
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)
