Article
Polymer Science
Alexandra Croitoriu, Aurica P. Chiriac, Alina G. Rusu, Alina Ghilan, Diana E. Ciolacu, Iuliana Stoica, Loredana E. Nita
Summary: This study introduced a Fmoc-short peptide and four Fmoc-amino acids as building blocks for the self-assembly/co-assembly process and investigated the formation of supramolecular gels. The complex morphological analysis revealed different morphologies of self-assembled gels and co-assembled gels, and the study also explored the molecular arrangement and the influence of the Fmoc motif on gelation.
Article
Chemistry, Physical
Tan Hu, Zhuo Zhang, Meital Reches
Summary: The study designed a self-standing superhydrophobic material through the self-assembly of a functionalized aromatic amino acid. The material exhibited fibrous structures and showed high mechanical strength and resistance to enzymatic degradation.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2024)
Article
Chemistry, Applied
Tatiana Chenet, Annalisa Martucci, Mirco Cescon, Giulia Vergine, Giada Beltrami, Lara Gigli, Matteo Ardit, Massimo Migliori, Enrico Catizzone, Girolamo Giordano, Luisa Pasti
Summary: The adsorption of L-lysine on two ZSM-5 materials with different Si/Al ratios revealed that the aluminum content plays a crucial role in tuning the adsorption process. Higher Si/Al ratios led to lower saturation capacity and binding constants. High resolution X-ray diffraction data showed that the adsorption of L-lysine in ZSM-5 is a surface-confined supramolecular self-assembly process, influenced by pH and hydration state.
MICROPOROUS AND MESOPOROUS MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Ana M. Garcia, Michele Melchionna, Ottavia Bellotto, Slavko Kralj, Sabrina Semeraro, Evelina Parisi, Daniel Iglesias, Paola D'Andrea, Rita De Zorzi, Attilio V. Vargiu, Silvia Marchesan
Summary: Self-assembling peptides with proline as a beta-breaker and diphenylalanine motif were studied for their ability to form diverse nanostructures. The stereo-configuration of amino acids played a crucial role in directing these peptides to assemble into nanoparticles, nanotapes, or fibrils. Additionally, the study found that heterochirality could strategically interfere with pathological processes, potentially offering future therapeutic applications with resistance to degradation and biocompatibility.
Article
Chemistry, Multidisciplinary
Yan Zhang, Qi Li, Haoran Wu, Yancheng Wang, Yan Wang, Sigal Rencus-Lazar, Yurong Zhao, Jiqian Wang, Deqing Mei, Hai Xu, Ehud Gazit, Kai Tao
Summary: Amino acids are bio-building blocks that play various roles in metabolic activities. Supramolecular structures formed by amino acids exhibit amyloid-like characteristics, which are driven by hydrogen bonds and play critical roles in the properties and applications of amino acid assemblies. Tyrosine-based superstructures have diverse properties and functions, making them promising next-generation biomaterials for biomedical applications. However, modulating the energetically stable supramolecular structures of tyrosine-based organizations is challenging. By assembling L-Y and D-Y, the secondary structures of the supramolecular assemblies can be modulated, leading to distinct organization kinetics and modulation of physicochemical properties.
Article
Chemistry, Multidisciplinary
Jeanette N. Loos, Francesco D'Acierno, Urmi Vijay Mody, Mark J. MacLachlan
Summary: In this study, the effect of molecular structure on self-assembly in a series of amino-acid based bicomponent LMWGs was investigated, and the packing preference of the organogels was determined using various experimental techniques. The results showed that the hydrophobicity of the headgroup strongly influenced the assembly preference of the organogel, while the alkyl chain length played a minor role.
Article
Chemistry, Multidisciplinary
Yoshio Yano, Hidetaka Kasai, Yanyan Zheng, Eiji Nishibori, Yoshio Hisaeda, Toshikazu Ono
Summary: Mechanochemical synthesis was used to achieve multimolecular self-assembly in challenging three-component systems. The resulting crystals exhibited multicolor solid-state luminescence under UV light, which depended on the components. Optical and X-ray diffraction studies were conducted to investigate the self-assembling behavior. In situ X-ray diffraction using synchrotron radiation allowed for direct observation of the milling process, which initiated the self-assembly within 1 minute. This research highlights the importance of multicomponent molecules with optical functions and self-assembling behavior, and offers the potential for developing more complex multicomponent crystals and organic solid solutions for advanced materials.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Zhao Gao, Shuai Qiu, Fei Yan, Shuyi Zhang, Feng Wang, Wei Tian
Summary: This study presents a novel bio-fluorochromic security printing technology mediated by a hydrolytic enzyme-induced supramolecular co-assembly, enabling fluorescent transformation and rewritable security printing. This innovative approach shows potential for applications in fluorescence security materials with biomimetic properties.
Article
Biochemical Research Methods
V. Nagarajan, M. Vaishnavi, R. Bhuvaneswari, R. Chandiramouli
Summary: Amino acids are essential for protein synthesis and their deficiency can affect sleep and mood. This study investigates the adsorption properties of alanine and asparagine amino acids on one-dimensional chair graphene nanotubes. The results show that alanine and asparagine are physically adsorbed on the nanotubes, which act as electron donors. Additionally, changes in the band gap and electron density of the graphene nanotubes are observed.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2024)
Article
Chemistry, Multidisciplinary
Liandong Ye, Min Liu, Xiao Wang, Zhihong Yu, Zhihao Huang, Nianchen Zhou, Zhengbiao Zhang, Xiulin Zhu
Summary: In this study, discrete amphiphilic co-oligomers with the same composition but different building blocks were reported. These sequence-defined oligomers became amphipathic due to quaternization of the amine groups in acidic aqueous solution. Under the same conditions, these oligomer isomers self-assembled into different nanoparticles, including nanofibers, hollow vesicles, and spherical micellar complexes. This work demonstrates the customization of functional nanoparticles through sequence structure control in synthetic co-oligomers.
Article
Multidisciplinary Sciences
Ajitha Ajikumar, Anakha Kandara Nikarthil Premkumar, Sunilkumar Puthenpurackal Narayanan
Summary: l-Histidine is an essential amino acid that can self-assemble into nano sheet structures under physiological conditions. Elevated levels of histidine in the body may cause histidinemia, a disease with symptoms similar to neurodegenerative diseases caused by self-assembly of peptides and proteins.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Physical
Jingchao Chen, Ximing Huang, Na Li, Haixia Guo, Zhiming Gao, Huibo Shao
Summary: This study investigated the interaction between an amino acid and a simulated cell membrane through hydrogen bonding, revealing that increasing negative surface charge density enhances the strength of hydrogen bonds. This was supported by the larger values of the binding constants. The research provided valuable insights for the quantitative analysis of hydrogen bonds between amino acids and simulated cell membranes.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Nanoscience & Nanotechnology
Bappaditya Roy, Debasis Ghosh, Thimmaiah Govindaraju
Summary: This study successfully prepared stable excimer-like organic nanoclusters (ONCs) under extreme dilution conditions using a sugar-conjugated naphthalenediimide derivative and molecular architectonics scheme. The research highlights the importance of functional molecule design, manipulation of noncovalent interactions, and experimental conditions in overcoming the limitations of conventional excimer formation, with implications for optical imaging applications.
ACS APPLIED NANO MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Shuai Cao, Leqian Song, Huacheng Zhang, Jie Han, Yanli Zhao
Summary: In this study, partially oxidized pillar[5]arene (P5A), pillar[4]arene[1]quinone (P4A1Q), pillar[3]arene[2]quinone (P3A2Q), and pillar[2]arene[3]quinone (P2A3Q) were synthesized by one-step reaction. The charge transfer interaction among the partially oxidized P5A was found to play a significant role in the self-assembly behavior and packing morphology.
CHINESE CHEMICAL LETTERS
(2023)
Review
Nanoscience & Nanotechnology
Huan Ren, Lifang Wu, Lina Tan, Yanni Bao, Yuchen Ma, Yong Jin, Qianli Zou, Yong Jin, Qianli Zou
Summary: Amino acids, as the building blocks of proteins and peptides, have the ability to self-assemble with advantages such as low synthesis cost, simple modeling, biocompatibility, and biodegradability. Despite the challenges in using amino acids to design materials, they have the potential to meet various scientific needs.
BEILSTEIN JOURNAL OF NANOTECHNOLOGY
(2021)
Article
Materials Science, Multidisciplinary
Radhika Grandhe, Vamsi Krishna Katta, Pralok K. Samanta, Naresh Kumar Katari, Niall J. English, Dimple P. Dutta, Balaji Rao Ravuri
Summary: This work investigates the correlation between structural stability and electrochemical impedance performance of NaNi1-x(VO)(x)PO4 (x = 0.1, 0.3 and 0.5 mol %) mixed polyanion glass and glass-ceramic cathodes. The results show that the NaNi0.7(VO)0.3PO4 glass-ceramic sample with the highest conductivity exhibits the lowest charge-transfer resistance and the best reduction potential, indicating excellent electrochemical performance.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2022)
Article
Biochemistry & Molecular Biology
Willem E. M. Noteborn, Sandeepa K. Vittala, Maria Broto Torredemer, Chandan Maity, Frank Versluis, Rienk Eelkema, Roxanne E. Kieltyka
Summary: Low-molecular-weight hydrogels are modular and easy to prepare scaffolds for drug delivery applications. A reaction-coupled gelator is used to tune drug release by altering the reaction pathway. The release mode changes from Fickian to semi-Fickian with a decreased rate when covalent ligation is increased. The reaction-coupled approach allows the preparation of drug-loaded hydrogels in situ with tunable mechanics and drug release profiles.
Article
Biochemistry & Molecular Biology
Madhu Ramesh, Chenikkayala Balachandra, Prayasee Baruah, Thimmaiah Govindaraju
Summary: Liquid-liquid phase separation (LLPS) is a complex physicochemical phenomenon mediated by multivalent transient weak interactions among macromolecules like polymers, proteins, and nucleic acids. It has implications in cellular physiology and disease conditions like cancer and neurodegenerative disorders. Limited chemical tools exist to modulate protein LLPS, and the development of small-molecule modulators (SMMs) could provide therapeutic potential for neurodegenerative disorders. Rationally designed cyclic dipeptide (CDP)-based SMMs have been shown to effectively inhibit and dissolve Zn-mediated tau LLPS condensates, as well as inhibit tau condensate-to-fibril transition, establishing a novel platform for the development of therapeutics for neurodegenerative disorders.
JOURNAL OF PEPTIDE SCIENCE
(2023)
Article
Chemistry, Physical
Pandiyan Sivasakthi, Jesni M. Jacob, Mahesh Kumar Ravva, Pralok K. Samanta
Summary: This study investigates a comparative new strategy to enhance the thermally activated delayed fluorescence (TADF) of through-space charge transfer (CT) molecules in organic light-emitting diodes (OLEDs). It is found that molecules containing donor-phenyl bridge-acceptor (D-p-A) units and featuring pi-stacked architectures exhibit high TADF efficiency. The insights into the TADF mechanism in D-p-A molecules were explored using density functional theory (DFT) and time-dependent DFT methods, and the calculated results were in good agreement with experimental data. Additionally, similar molecules with enhanced OLED efficiency were predicted with different substitutions.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Polymer Science
Sayan Halder, Subhradeep Pal, Pandiyan Sivasakthi, Pralok K. Samanta, Chanchal Chakraborty
Summary: Dual-performance devices based on electrochromism and electrofluorochromism have attracted attention in display technology. Researchers have synthesized a low-band-gap organic polymer, P-TzTz, which demonstrated electrochromism from pale yellow to black in the near-infrared region and electrofluorochromism from red to quenched at a low potential window. The polymer showed tunable absorption from visible to near-infrared and on-off fluorescence switching, making it suitable for display applications.
Article
Nanoscience & Nanotechnology
Biswanath Maity, Hariharan Moorthy, Thimmaiah Govindaraju
Summary: This article presents a glucose-responsive smart hydrogel platform based on phenylboronic acid-functionalized natural silk fibroin protein for regulated insulin delivery. The platform provides controlled insulin release and restores blood glucose levels in diabetic conditions.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Pandiyan Sivasakthi, Pralok K. Samanta
Summary: Metal-free thio-based pure organic molecules and analogous nucleobases can be used as photosensitizers for photodynamic therapy (PDT). In this study, we used quantum chemical methods to investigate the optical absorptions, fluorescence, and other excited-state properties of substituted thioxanthone derivatives as potential photosensitizers for PDT. The comparison between calculated values and experimental data indicates that the intersystem crossing rate constant for these photosensitizers can explain the high quantum yield of reactive oxygen species (ROS) formation as observed experimentally. The population of excited triplet-state for the photosensitizer is mainly achieved through the (1)pi-pi* -> (3)n-pi* channel of intersystem crossing, and is increased by halogen substitution.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
S. Halder, A. K. Pradhan, P. Sivasakthi, P. K. Samanta, C. Chakraborty
Summary: This study reports a new metal-free electrocatalyst, based on an organic conjugated polymer, P-TzTz, and its derived nitrogen and sulfur-doped carbon nanosheets, for oxygen reduction and oxygen evolution reactions. The catalyst shows excellent performance and higher efficiency under high sulfur content.
MATERIALS TODAY CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Biswanath Maity, Hariharan Moorthy, Thimmaiah Govindaraju
Summary: Efficient delivery of bioactive ingredients into cells remains a challenge, and cell-penetrating peptides (CPPs) have emerged as promising delivery vehicles. In this study, novel CPPs derived from the flexible and disordered tail extensions of DNA-binding Ku proteins were developed. The lead CPP, Ku-P4, demonstrated high internalization efficacy and biocompatibility. The presence of proline residue was crucial for maintaining the intrinsically disordered state and biocompatibility. Biophysical and DNA binding studies revealed that Ku-P4 efficiently condensed DNA into positively charged polyplexes, which were then able to penetrate the cell membrane and deliver the plasmid DNA inside the cell. These findings suggest that these novel CPPs have the potential to enhance the cellular uptake and therapeutic efficacy of peptide-drug or gene conjugates.
ACS BIO & MED CHEM AU
(2023)
Article
Chemistry, Multidisciplinary
Naga Pranava Sree Kothoori, Pandiyan Sivasakthi, Pralok K. Samanta
Summary: Room temperature phosphorescence (RTP) of star-shaped pure organic molecules based on carbazole and chalcogen atoms was investigated using quantum chemical methods. The calculated intersystem crossing (ISC) rate constant for these molecules is found to be approximately 10^8-10 s^(-1). The incorporation of a heavy halogen atom increases the ISC rate constant and efficiency of RTP due to strong spin-orbit coupling. This study highlights the rational molecular design of metal-free organic room-temperature phosphorescent emitters containing chalcogen and halogen atoms, in contrast to traditional organometallic phosphors used in OLEDs.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Jesni M. Jacob, Pralok K. Samanta, Mahesh Kumar Ravva
Summary: Developing NIR TADF emitters is challenging due to the energy gap law. In this study, we designed a set of twelve organic emitter molecules with a D-A1-A2 structure, containing a strong donor (TPA), a cyano group substituted AZ unit as A1, and fused aromatic/heterocyclic molecules as the A2 unit. We used computational methods to study their properties and identified HLCT character dominated by Frenkel-type excitation in the lowest singlet excited state for faster emission. Multiple hot-exciton channels were identified to improve exciton utilization efficiency.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Sumon Pratihar, Mohamed Nabeel Mattath, Thimmaiah Govindaraju
Summary: Pathogenic genomes with noncanonical G-quadruplex (GQ) forming sequences are potential targets for diagnosis. The GQ-forming cDNA sequences of SARS-CoV-2 have been identified and validated as reliable diagnostic targets. High fidelity fluorescence detection of specific cDNA GQs derived from the SARS-CoV-2 RNA genome is demonstrated using small molecular probes.
CHEMICAL COMMUNICATIONS
(2023)
Review
Biochemistry & Molecular Biology
Sumon Pratihar, Krithi K. Bhagavath, Thimmaiah Govindaraju
Summary: Theranostics, the integration of therapy and diagnostics, is crucial for monitoring disease progression and treatment response. Advancements in medicinal chemistry and technology have led to the development of targeted therapeutic drugs that also provide real-time updates on disease progression and treatment. The inclusion of imaging in therapy has significantly improved the prognosis of devastating diseases. Theranostic agents play important roles in early-stage drug development and clinical-stage therapeutic-containing drug candidates.
RSC CHEMICAL BIOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Mohamed Nabeel Mattath, Haibin Zhang, Debasis Ghosh, Thimmaiah Govindaraju, Shuo Shi
Summary: Biocomputing, using DNAs as its primary building blocks, is the most promising alternative for next-generation molecular computers. DNA nanoclusters (NCs) have unique self-assembly properties and programmability, making them promising candidates for biosensing applications. Thymine overhang-modified DNA-templated NCs are chemosensing ensembles capable of driving elementary and complex logic operations. These NCs can also be used for advanced DNA logic devices and error detection.
Article
Chemistry, Multidisciplinary
Mohamed Nabeel Mattath, Debasis Ghosh, Chunyan Dong, Thimmaiah Govindaraju, Shuo Shi
Summary: Boolean operations based on DNA have promising applications in biocomputing. By introducing parity generator and parity checker, bit errors can be effectively evaluated. In this study, a DNA hybrid architecture platform was constructed using a chemosensing ensemble and a binary to gray code encoder was used to convert the transmitted and received data into secure information.
MATERIALS HORIZONS
(2022)
