Article
Chemistry, Organic
Gabija Poskaite, David E. Wheatley, Neil Wells, Bruno Linclau, Davy Sinnaeve
Summary: Due to the complexity of the NMR spectra of reducing sugars caused by tautomeric equilibria, it is challenging to determine the coupling constant that is necessary for the analysis and assignment of substituents. This study demonstrates that 1D FESTA technique can be used to obtain individual spectra of both pyranoside and furanoside forms of reducing fluorosugars, providing a more complete characterization compared to the standard sel-TOCSY method. The power of FESTA is illustrated by the first full NMR characterization of several fluorosugars, including the important fluorosugar 2-deoxy-2-fluoroglucose.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Changbiao Chi, Run Xu, Qianqian Chen, Xiaohui Zhang, Xiaomeng Shi, Hongwei Jin, Fuling Yin, Hongli Jia, Liangren Zhang, Donghui Yang, Jianhua Ju, Qinglian Li, Ming Ma
Summary: In this study, the crystal structure of metal-dependent mutase MtdL is reported, which shows poor similarity to other known enzymes. Molecular dynamics simulations, site-directed mutagenesis, and proteomics analysis were used to identify key catalytic residues and support an Arg159-covalently mediated catalytic mechanism. Sequence alignment reveals conserved key residues in other metal-dependent mutases, suggesting a common catalytic paradigm. These results enhance our understanding and facilitate the use of metal-dependent mutases in the generation of furanose-containing molecules.
Article
Biochemistry & Molecular Biology
Goran Poje, Marina Marinovic, Kristina Pavic, Marija Mioc, Marijeta Kralj, Lais Pessanha de Carvalho, Jana Held, Ivana Perkovic, Zrinka Rajic
Summary: This study presents the design, synthesis, and evaluation of harmicens, a new class of hybrids with structural diversity. The harmicens showed moderate antiplasmodial activity against malaria and significant and selective antiproliferative activity against cancer cell lines. Cell localization and cycle analysis revealed different mechanisms of action.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Inorganic & Nuclear
Lingaswamy Kadari, William Erb, Yury S. Halauko, Oleg A. Ivashkevich, Vadim E. Matulis, Dmitry Lyakhov, Thierry Roisnel, Palakodety Radha Krishna, Florence Mongin
Summary: The study involved the reaction of various substituted iodoferrocenes with acetamide under specific conditions to investigate the impact of substituents and their positions on the products. DFT calculations revealed a higher activation barrier for the oxidative addition in the ferrocene series compared to classical planar aromatics. Structure-property relationships were used to rationalize the reactivity of the different iodoferrocenes.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Karolina Kowalczyk, Andrzej Blauz, Daniel Moscoh Ayine-Tora, Christian G. Hartinger, Blazej Rychlik, Damian Plazuk
Summary: Derivatives of ispinesib and its (S) analogue, containing ferrocenyl moieties or bulky organic substituents, were prepared to combine multiple biologically-active components in a single molecule. Several of these compounds demonstrated higher antiproliferative activity than ispinesib, with nanomolar IC50 values against cell lines. The improved activity may be attributed to synergic effects of various factors such as KSP inhibitory activity due to the ispinesib core and ability to generate ROS and induce mitotic arrest.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Biochemistry & Molecular Biology
Ludovika Jessica Virginia, Clemens Peterbauer
Summary: Lignin degradation in fungal systems is well characterized, but recent studies have shown the potential for lignin depolymerization and modification by bacteria. The presence of peroxidase genes in Actinobacteria suggests the existence of auxiliary enzymes like pyranose oxidase (POx). Analysis of the genomic locus of POx from Kitasatospora aureofaciens revealed an additional sequence that could serve as a Tat-signal peptide. Expression of KaPOx with this additional sequence in Streptomyces lividans confirmed its natural extracellular localization and potential role in lignin degradation.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Applied
Silvio Jakopec, Natalija Pantalon Juraj, Anamaria Brozovic, Dijana Jadresko, Berislav Peric, Srecko Kirin, Silvana Raic-Malic
Summary: Ferrocene derivatives with mono- and bis-1,2,3-triazolyl chelating groups were synthesized using a regioselective copper(I)-catalysed 1,3-dipolar cycloaddition reaction. Metal complexes of these derivatives were also prepared and characterized. The cytotoxicity of one of the copper complexes was found to be selective towards certain cancer cells, inducing cell cycle arrest.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Jalalaldin Zangeneh, Lotfollah Saghaie, Mahmoud Etebari, Vahideh Dolatyari, Zahra Farasat, Masood Fereidoonnezhad, Hamid R. Shahsavari
Summary: This study presents the design, synthesis, and characterization of a series of novel binuclear platinum(ii) complexes driven by C^N. Their potential as anticancer agents was evaluated, and some of the complexes exhibited strong cytotoxic activity and reasonable interactions with DNA.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Jintao Liang, Xiaohang Shi, Huafu Feng, Min Chen, Wenzhan Li, Junxiang Lai, Weipeng Hu, Guiyin Li
Summary: A novel silicon-based light-addressable potentiometric sensor (LAPS) was designed for the detection of 1,5-anhydroglucitol (1,5-AG) in human serum, showing good sensitivity and specificity as a potential testing method for clinical samples.
BIOELECTROCHEMISTRY
(2021)
Article
Chemistry, Medicinal
Yang Zhou, Jiao Zou, Xi Zhong, Jing Xu, Kun Gou, Xia Zhou, Yue Zhou, Xinyu Yang, Xinqi Guan, Yu Zhang, Donglin Chen, Xiaobo Cen, Youfu Luo, Yinglan Zhao
Summary: A series of novel pyrazole amides were designed and optimized as potential inhibitors of mitochondrial complex I. Among them, SCAL-255 and SCAL-266 showed good safety and significant inhibitory activity against cancer cells, suggesting their potential as promising CI inhibitors for treating OXPHOS-dependent cancer.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Review
Biochemistry & Molecular Biology
Umair Rauf, Ghulam Shabir, Saba Bukhari, Fernando Albericio, Aamer Saeed
Summary: This paper summarizes the recent advancements in the synthesis and applications of ferrocene derivatives reported from 2016 to date. It focuses on the synthesis of diverse classes of organic compounds with ferrocene scaffolds and the development of applications of ferrocene-based organometallic compounds, particularly in the fields of biology, medicine, bio-sensing, chemosensing, asymmetric catalysis, materials, and industry.
Article
Biochemistry & Molecular Biology
Anja Kostelac, Leander Sutzl, Jolanta Puc, Valentina Furlanetto, Christina Divne, Dietmar Haltrich
Summary: This study reports the biochemical characterization of a pyranose oxidase (ScPOx) from Streptomyces canus. The results showed that ScPOx oxidizes monosaccharides and various C- and O-glycosides, and belongs to the same sequence space as the recently discovered FAD-dependent C-glycoside 3-oxidase.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Virology
Evgenii S. S. Mozhaitsev, Evgeniy V. V. Suslov, Daria A. A. Rastrepaeva, Olga I. I. Yarovaya, Sophia S. S. Borisevich, Edward M. M. Khamitov, Dmitry S. S. Kolybalov, Sergey G. G. Arkhipov, Nikolai I. I. Bormotov, Larisa N. N. Shishkina, Olga A. A. Serova, Roman V. V. Brunilin, Andrey A. A. Vernigora, Maxim B. B. Nawrozkij, Alexander P. P. Agafonov, Rinat A. A. Maksyutov, Konstantin P. P. Volcho, Nariman F. F. Salakhutdinov
Summary: Although the variola virus has been eradicated, the search for new small molecules with activity against orthopoxviruses is still important, especially due to recent outbreaks of monkeypox. A series of benzoic acid amide derivatives containing an adamantane fragment were obtained, most of which showed activity against vaccinia virus. The leader compound 18a exhibited a high selectivity index (SI = 18,214). The IC50 values of the compounds correlated with the binding energy to the assumed biological target, the p37 viral protein (R-2 = 0.60).
Article
Biochemistry & Molecular Biology
Gulim K. Mukusheva, Aigerym R. Zhasymbekova, Zharkyn Zh. Zhumagalieva, Roza B. Seidakhmetova, Oralgazy A. Nurkenov, Ekaterina A. Akishina, Sergey K. Petkevich, Evgenij A. Dikusar, Vladimir I. Potkin
Summary: A series of N-acyl derivatives of anabasine and cytisine were synthesized to discover new medicinal agents based on natural products. The compounds were tested for antimicrobial, antifungal, antiviral, and analgesic activity, with compounds containing isoxazole fragments showing strong antibacterial activity and adamantane derivatives demonstrating the greatest antiviral effect. Anabasine derivatives exhibited significant analgesic activity. The newly synthesized compounds showed promising levels of antimicrobial and antiviral activity, suggesting potential for further pharmacological studies.
Article
Chemistry, Inorganic & Nuclear
Chao Wang, Ning Chen, Shoujuan Wang, Fangong Kong
Summary: This study reports the assembly of two cyclic titanium-oxo clusters with ferrocene connectors and demonstrates that ferrocene ligands can serve as both connectors and photosensitizers to improve the light absorption behavior of the resulting compounds. The research opens a new way for the geometric assembly of titanium-oxo clusters and contributes to the deep understanding of the structure-property relationships of sensitized Ti-based materials.
INORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Multidisciplinary
K. S. Srivishnu, Madarapu Naresh, J. Laxmikanth Rao, Lingamallu Giribabu
Summary: Donor-Acceptor systems based on phenoxazine - phthalocyanine and phenoxazine - zinc phthalocyanine were designed and synthesized. The study characterized the systems using spectroscopic and electrochemical techniques, supported by theoretical calculations. The systems exhibited significant fluorescence emission quenching.
JOURNAL OF PORPHYRINS AND PHTHALOCYANINES
(2022)
Article
Chemistry, Multidisciplinary
Devulapally Koteshwar, Seelam Prasanthkumar, Surya Prakash Singh, Towhid H. Chowdhury, Idriss Bedja, Ashraful Islam, Lingamallu Giribabu
Summary: A series of newly designed porphyrin sensitizers were studied for their photovoltaic performance, with those containing the cyanoacrylic acid anchoring group showing higher efficiency. Compared to LG18, sensitizers LG24 and LG26 with conjugated electron acceptors have advantages in terms of spectra and electronic structure.
MATERIALS CHEMISTRY FRONTIERS
(2022)
Article
Materials Science, Multidisciplinary
Chinmoy Biswas, Siva Gangadhar Palivela, Lingamallu Giribabu, Venugopal Rao Soma, Sai Santosh Kumar Raavi
Summary: In this study, the ethynylthiophene functionalized porphyrin molecule LG5 was comprehensively characterized for its optical and non-linear optical properties. The results suggest that LG5 has great potential for application in organic solar cell devices and exhibits good photosensitizer performance and efficient electron injection in dye-sensitized solar cells.
Review
Energy & Fuels
Kalavala Shivaprakash Srivishnu, Prasutha Rani Markapudi, Senthilarasu Sundaram, Lingamallu Giribabu
Summary: Perovskite solar cells technology is advanced and fascinating due to its low-cost processing and efficient power conversion efficiencies. Researchers have been exploiting the transparency of perovskite solar cells to meet environmental and energy needs. Placing semitransparent perovskite solar cells on windows and rooftops of buildings can reduce room temperature and fulfill power requirements.
Article
Biochemical Research Methods
Siva Hariprasad Kurma, Ramya Somanaboina, Lakshmi Reddy Vanammoole, K. S. Srivishnu, China Raju Bhimapaka, Lingamallu Giribabu
Summary: Here, the authors reported the synthesis of 2H-pyrano[3,2-c]chromene-2,5(6H)-diones 3a-x by reacting 4-hydroxycoumarins 1a-b with Baylis-Hillman adducts 2a-w. The optical and electrochemical properties of these compounds were studied, revealing that the electron releasing and electron withdrawing groups had minimal impact on the electronic behavior of the pyranochromene moiety. The compounds showed thermal stability up to 200°C and emitted blue or green light, making them potential candidates for OLEDs.
JOURNAL OF FLUORESCENCE
(2023)
Article
Chemistry, Physical
Chinmoy Biswas, Palivela Siva Gangadhar, Lingamallu Giribabu, Prabhakar Chetti, Dipanjan Banerjee, Venugopal Rao Soma, Sai Santosh Kumar Raavi
Summary: This study presents a comprehensive investigation of the ultrafast photophysical properties and charge injection dynamics of phenothiazine-functionalized push-pull Zinc porphyrin adsorbed on mesoporous TiO2. The impact of acceptor units on charge injection times is revealed, and the nonlinear optical properties of the porphyrin are characterized. The findings suggest strong potential for optical limiting and optical signal processing applications.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2022)
Article
Chemistry, Physical
Md Soif Ahmed, Chinmoy Biswas, Botta Bhavani, Seelam Prasanthkumar, Dipanjan Banerjee, Vipin Kumar, Prabhakar Chetti, Lingamallu Giribabu, Venugopal Rao Soma, Sai Santosh Kumar Raavi
Summary: This study investigates the photophysical characterization of four porphyrin compounds in solution using transient absorption spectroscopy, and validates the experimental results through nonlinear optical properties and theoretical calculations.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Ushasri Chilakamarthi, Namita S. Mahadik, Devulapally Koteshwar, Narra Vamsi Krishna, Lingamallu Giribabu, Rajkumar Banerjee
Summary: Photodynamic therapy (PDT) combined with chemotherapy shows potential as a non-invasive treatment for cancer. In this study, we used novel porphyrin-based photosensitizers in combination with low dose doxorubicin (Dox) to enhance the therapeutic outcome. Our results demonstrate that Dox synergizes with PDT to inhibit tumor growth in vitro, but there is still a possibility of relapse due to chemoresistance and immune suppression.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Gangada Suneel, Kanika Jain, Boligorla Anjaiah, Hrishit Mitra, Ramya Athira Ramnagar, Srikanth Bandi, Vijaykumar Chuncha, Tapta Kanchan Roy, Lingamallu Giribabu, Raghu Chitta
Summary: The N, N-bis (4'-tert-butylbiphenyl-4-yl)aniline tethered zinc porphyrins have been synthesized and photosynthetic antenna-reaction center models were constructed via co-ordination with fulleropyrrolidines. The study showed the occurrence of photoinduced energy transfer and electron transfer, resulting in the formation of charge-separated supramolecular complexes.
JOURNAL OF PORPHYRINS AND PHTHALOCYANINES
(2022)
Article
Chemistry, Multidisciplinary
Boligorla Anjaiah, Manne Naga Rajesh, Lingamallu Giribabu, Raghu Chitta
Summary: Panchromatic azaborondipyrromethenes connected with TPA and Naph were synthesized and their roles in photo-induced energy and electron transfer processes were investigated. Optical absorption studies showed that integrating naphthalene and TPA moieties into the azaBODIPY core resulted in broad-band capturing dyes. Electrochemical studies revealed that TPA was easier to oxidize, consistent with its role as an electron donor in PET processes. Fluorescence studies indicated PET and PEnT processes occurring in nanosecond time scales.
CHEMISTRY-AN ASIAN JOURNAL
(2023)
Article
Engineering, Electrical & Electronic
Madarapu Naresh, Palivela Siva Gangadhar, Priti Kumari, Nagadatta Pravallika, Yelukala Ramakrishna, Lingamallu Giribabu, Seelam Prasanthkumar
Summary: Tuning the crystallinity in self-assembled nanostructures hasa significant impact on the electronic properties. In this research, three symmetric freebase and metallo substituted porphyrin appended bispyridylquinoxalines (P-Fb-DPQ, P-Cu-DPQ andP(Zn)-DPQ) were developed, and copper metalated P-DPQ exhibited crystalline phase transitions under light stimuli. Light stimulation regulated the morphology from 0D nanosphere to 2D nanosheets in P-Cu-DPQ and H+[P-Cu-DPQ(Cl)](-), promoting the amorphous to crystalline nature.
ACS APPLIED ELECTRONIC MATERIALS
(2023)
Article
Chemistry, Physical
Swathi Nenavath, Naresh Duvva, Ram R. R. Kaswan, Gary N. N. Lim, Francis D'Souza, Lingamallu Giribabu
Summary: Donor phenanthroimidazole (PhI) is directly connected to a BODIPY acceptor (Dyad1) through an ethynyl bridge (Dyad2). Spectroscopic and electrochemical analysis suggests minimal π-π interaction between PhI and BODIPY. The dyads exhibit quenched emission when excited at absorption maxima of PhI or BODIPY, indicating intramolecular photoinduced excitation energy transfer and electron transfer. The dyads also generate charge-separated species and have high energy transfer rate constants, making them useful for light energy harvesting applications.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Engineering, Electrical & Electronic
Parnapalli Muni Mounika, Meenakshamma Ambapuram, Gurulakshmi Maddala, Susmitha Kalvapalli, Mukhesh K. Ganesha, Ashutosh K. Singh, Narayana Thota, Manne Naga Rajesh, Lingamallu Giribabu, Katta Venkateswarlu, Raghavender Mitty
Summary: A bifacial tandem dye-sensitized solar cell (DSSC-DSSC) with LG6 and N719 dyes integrated has been developed, exhibiting a high solar power conversion efficiency and stable performance. This work opens up a pioneering research approach for bifacial tandem solar cells with the DSSC.
ACS APPLIED ELECTRONIC MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Md Soif Ahmed, Kalavala Shivaprakash Srivishnu, Chinmoy Biswas, Dipanjan Banerjee, Prabhakar Chetti, Venugopal Rao Soma, Lingamallu Giribabu, Sai Santosh Kumar Raavi
Summary: Metal-substituted phthalocyanines exhibit diverse structures and excellent optoelectronic properties, and their photophysical properties were comprehensively investigated in this study. Femtosecond transient absorption spectroscopy was used to study the excited-state relaxation dynamics of newly synthesized metal-free and metallated phthalocyanines. The nonlinear optical phenomena of these compounds were explored through the analysis of lifetime values obtained from the spectroscopy data and the fitting of nonlinear refractive indices and second hyperpolarizabilities calculated using DFT calculations. Enhancement of the nonlinear characteristics was observed for the metallated phthalocyanines compared to the metal-free ones. The findings provide insights into the critical variables involved in their optoelectronic properties.
MATERIALS ADVANCES
(2023)
Article
Chemistry, Multidisciplinary
Anjaiah Boligorla, Manne Naga Rajesh, Lingamallu Giribabu, Raghu Chitta
Summary: A dual-dye integrated polyaromatic azaborondipyrromethene was synthesized and its role as an electron and energy relay in the photoinduced process was investigated.
NEW JOURNAL OF CHEMISTRY
(2023)
