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991.
Mariia Belinskaia Tomas Zurawski Seshu Kumar Kaza Caren Antoniazzi J. Oliver Dolly Gary W. Lawrence 《International journal of molecular sciences》2022,23(2)
Nerve growth factor (NGF) is known to intensify pain in various ways, so perturbing pertinent effects without negating its essential influences on neuronal functions could help the search for much-needed analgesics. Towards this goal, cultured neurons from neonatal rat trigeminal ganglia—a locus for craniofacial sensory nerves—were used to examine how NGF affects the Ca2+-dependent release of a pain mediator, calcitonin gene-related peptide (CGRP), that is triggered by activating a key signal transducer, transient receptor potential vanilloid 1 (TRPV1) with capsaicin (CAP). Measurements utilised neurons fed with or deprived of NGF for 2 days. Acute re-introduction of NGF induced Ca2+-dependent CGRP exocytosis that was inhibited by botulinum neurotoxin type A (BoNT/A) or a chimera of/E and/A (/EA), which truncated SNAP-25 (synaptosomal-associated protein with Mr = 25 k) at distinct sites. NGF additionally caused a Ca2+-independent enhancement of the neuropeptide release evoked by low concentrations (<100 nM) of CAP, but only marginally increased the peak response to ≥100 nM. Notably, BoNT/A inhibited CGRP exocytosis evoked by low but not high CAP concentrations, whereas/EA effectively reduced responses up to 1 µM CAP and inhibited to a greater extent its enhancement by NGF. In addition to establishing that sensitisation of sensory neurons to CAP by NGF is dependent on SNARE-mediated membrane fusion, insights were gleaned into the differential ability of two regions in the C-terminus of SNAP-25 (181–197 and 198–206) to support CAP-evoked Ca2+-dependent exocytosis at different intensities of stimulation. 相似文献
992.
Carlos Guerra Sarvesh Kumar Fernando Aguilar-Galindo Sergio Díaz-Tendero Ana I. Lozano Mnica Mendes Juan C. Oller Paulo Limo-Vieira Gustavo García 《International journal of molecular sciences》2022,23(3)
In this study, novel experimental total electron detachment cross sections for O2− collisions with benzene molecules are reported for the impact energy range (10–1000 eV), as measured with a transmission beam apparatus. By analysing the positively charged species produced during the collision events, relative total ionisation cross sections were derived in the incident energy range of 160–900 eV. Relative partial ionisation cross sections for fragments with m/z ≤ 78 u were also given in this energy range. We also confirmed that heavier compounds (m/z > 78 u) formed for impact energies between 550 and 800 eV. In order to further our knowledge about the collision dynamics governing the fragmentation of such heavier molecular compounds, we performed molecular dynamics calculations within the framework of the Density Functional Theory (DFT). These results demonstrated that the fragmentation of these heavier compounds strongly supports the experimental evidence of m/z = 39–42, 50, 60 (u) cations formation, which contributed to the broad local maximum in the total ionisation observed from 550 to 800 eV. This work reveals the reactivity induced by molecular anions colliding with hydrocarbons at high energies, processes that can take place in the interstellar medium under various local conditions. 相似文献
993.
Neetu Rathore Asita Kulshreshtha Rajesh Kumar Shukla Darshan Sharma 《International Journal of Applied Ceramic Technology》2022,19(3):1766-1778
Here, sol–gel derived Fe–TiO2 anatase nanoparticles with varying concentrations of Ti(1–x)FexO2 (x = 0%, 1%, 5%, 10%) were prepared. The structural, morphological, and optical properties of prepared samples were studied. X-ray diffraction (XRD) patterns show the formation of pure anatase phase. The mean crystallite size of Fe–TiO2 decreases with increase in the concentration of Fe. Fourier transform infrared spectroscopy (FTIR) spectra confirmed the presence of Ti–O vibrational band for all the samples. In Raman spectrum, peak broadening and red shifting linked with Eg ∼144 cm–1 divulge the Fe substitution at Ti sites into host lattice structure. Photoluminescence (PL) spectra verified nine peaks related to near band-edge emission and various defect states. The UV–vis diffuse reflectance spectra represent redshift and reduction in the bandgap energy. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) investigations show that the size of the grains decreases with increase in Fe doping concentration. The study shows that Fe-doped TiO2 anatase phase nanoparticles are suitable for photocatalytic activity and solar cell applications. 相似文献
994.
Hang Liu Xiaofeng Zhao Yuancheng Teng Yuxiang Li Xiayu Zheng Shanlin Wang Lang Wu Pritam Kumar Panda Rajeev Ahuja 《Journal of the American Ceramic Society》2022,105(7):4974-4985
LnPO4 · 0.667H2O rhabdophane has been considered as a potential material for the precipitation of actinides from radioactive waste liquid, owing to its outstanding characteristics of high actinide bearing and easy synthesis in acid solutions. However, a comprehensive understanding of the actinide occupation and the precipitation response of rhabdophane to remove actinides has yet to be established. In this study, the effect of ions concentration and pH values on the detailed precipitation reaction of CexNd1-xPO4 · 0.667H2O rhabdophane in acid solutions are systematically investigated. Some specific issues such as structural distortion and flexibility, and occupation mechanism are discussed by combining with experiments and density functional theory (DFT) calculation. The results reveal that ions concentration and pH values have a significant impact on the crystallization nucleation step before 12 h. The obtained removal rate of Nd3+ is more than 99% in pH 1–5 solutions with the ions concentration of 0.05–0.1 mol/L. Moreover, incorporating Nd in CePO4 · 0.667H2O rhabdophane will easily result in the lattice distortion in b-axis. DFT calculation and X-ray photoelectron spectroscopy (XPS) results reveal that Nd is preferentially incorporated in nonhydrated site to form a weaker binding energy of NdO8 polyhedron. 相似文献
995.
Kai-Hsiang Liang Karan Kumar Gupta Chung-Hsin Lu Sudipta Som 《Journal of the American Ceramic Society》2022,105(10):6168-6174
SnO2-coated TiNb2O7 powders were synthesized via the solution coating method in the present research. The SnO2 layers with a thickness of 3–5 nm were homogeneously coated on the surface of TiNb2O7 particles. TiNb2O7 coated with SnO2 of 5 mol% with high Li+ diffusion coefficient delivered the discharge capacity of 319.5 mAh/g, which was 6.6% higher than that of the non-coated samples. The enhancement of capacity for the coated TiNb2O7 was owing to the low charge-transfer resistance of 17.5 Ω in contrary to the non-coated TiNb2O7 (27.8 Ω). SnO2-coated TiNb2O7 possessed an improved capacity retention of 85.2% at 5 C after 100 cycles, superior to the non-coated TiNb2O7 (79.8%). On the other hand, the excessive amounts of SnO2 coating led to the reduction in the capacity of the prepared samples. The excessive amounts of SnO2 layers suppressed the Li+ diffusion and increased the charge-transfer resistance. The obtained results in this study indicated that coating of TiNb2O7 with appropriate amounts of SnO2 significantly improved the electrochemical performance of TiNb2O7. 相似文献
996.
Dr. Vipin Kumar Prof. Dr. Eriks Rozners 《Chembiochem : a European journal of chemical biology》2022,23(3):e202100560
2,4-Difluorotoluene is a nonpolar isostere of thymidine that has been used as a powerful mechanistic probe to study the role of hydrogen bonding in nucleic acid recognition and interactions with polymerases. In the present study, we evaluated five fluorinated benzenes as nucleobase analogues in peptide nucleic acids designed for triple helical recognition of double helical RNA. We found that analogues having para and ortho fluorine substitution patterns (as in 2,4-difluorotoluene) selectively stabilized Hoogsteen triplets with U−A base pairs. The results were consistent with attractive electrostatic interactions akin to non-canonical F to H−N and C−H to N hydrogen bonding. The fluorinated nucleobases were not able to stabilize Hoogsteen-like triplets with pyrimidines in either G−C or A−U base pairs. Our results illustrate the ability of fluorine to engage in non-canonical base pairing and provide insights into triple helical recognition of RNA. 相似文献
997.
Ria Ghosh Soumendra Singh Dipanjan Mukherjee Susmita Mondal Monojit Das Uttam Pal Aniruddha Adhikari Aman Bhushan Surajit Bose Siddharth Sankar Bhattacharyya Debasish Pal Tanusri Saha-Dasgupta Maitree Bhattacharyya Debasis Bhattacharyya Asim Kumar Mallick Ranjan Das Samir Kumar Pal 《Chembiochem : a European journal of chemical biology》2022,23(9):e202200109
Drug delivery to a target without adverse effects is one of the major criteria for clinical use. Herein, we have made an attempt to explore the delivery efficacy of SDS surfactant in a monomer and micellar stage during the delivery of the model drug, Toluidine Blue (TB) from the micellar cavity to DNA. Molecular recognition of pre-micellar SDS encapsulated TB with DNA occurs at a rate constant of k1 ∼652 s−1. However, no significant release of encapsulated TB at micellar concentration was observed within the experimental time frame. This originated from the higher binding affinity of TB towards the nano-cavity of SDS at micellar concentration which does not allow the delivery of TB from the nano-cavity of SDS micelles to DNA. Thus, molecular recognition controls the extent of DNA recognition by TB which in turn modulates the rate of delivery of TB from SDS in a concentration-dependent manner. 相似文献
998.
Dr. Anil Karbhari Shinde Dr. Rajesh Kumar Badange Veena Reballi Pramod Kumar Achanta Kumar Bojja Sravanthi Manchineella Nageswara Rao Muddana Ramkumar Subramanian Raghava Choudary Palacharla Vijay Benade Dr. Pradeep Jayarajan Jagadeesh Babu Thentu Bujji Babu Lingavarapu Sivasekhar Yarra Narendra Kagita Mallikarjuna Rao Doguparthi Dr. Abdul Rasheed Mohammed Dr. Ramakrishna Nirogi 《ChemMedChem》2022,17(3):e202100583
A series of chemical optimizations, which was guided by in vitro affinity at histamine H3 receptor (H3R), modulation of lipophilicity, ADME properties and preclinical efficacy resulted in the identification of 1-[2-(1-cyclobutylpiperidin-4-yloxy)-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl]propan-1-one ( 45 e ) as a potent and selective (Ki=4.0 nM) H3R inverse agonist. Dipsogenia induced by (R)-α-methylhistamine was dose dependently antagonized by 45 e , confirming its functional antagonism at H3R. It is devoid of hERG and phospholipidosis issues. Compound 45 e has adequate oral exposures and favorable half-life in both rats and dogs. It has demonstrated high receptor occupancy (ED80=0.22 mg/kg) and robust efficacy in object recognition task and, dose dependently increased acetylcholine levels in brain. The sub-therapeutic doses of 45 e in combination with donepezil significantly increased acetylcholine levels. The potent affinity, selectivity, in vivo efficacy and drug like properties together with safety, warrant for further development of this molecule for potential treatment of cognitive disorders associated with Alzheimer's disease. 相似文献
999.
Sudip Gorai Vivek Junghare Dr. Kshama Kundu Sowmomita Gharui Dr. Mukesh Kumar Dr. Birija Sankar Patro Dr. Sandip K. Nayak Prof. Saugata Hazra Dr. Soumyaditya Mula 《ChemMedChem》2022,17(8):e202100782
The recent emergence of pandemic of coronavirus (COVID-19) caused by SARS-CoV-2 has raised significant global health concerns. More importantly, there is no specific therapeutics currently available to combat against this deadly infection. The enzyme 3-chymotrypsin-like cysteine protease (3CLpro) is known to be essential for viral life cycle as it controls the coronavirus replication. 3CLpro could be a potential drug target as established before in the case of severe acute respiratory syndrome coronavirus (SARS-CoV) and Middle East respiratory syndrome coronavirus (MERS-CoV). In the current study, we wanted to explore the potential of fused flavonoids as 3CLpro inhibitors. Fused flavonoids (5a,10a-dihydro-11H-benzofuro[3,2-b]chromene) are unexplored for their potential bioactivities due to their low natural occurrences. Their synthetic congeners are also rare due to unavailability of general synthetic methodology. Here we designed a simple strategy to synthesize 5a,10a-dihydro-11H-benzofuro[3,2-b]chromene skeleton and it's four novel derivatives. Our structural bioinformatics study clearly shows excellent potential of the synthesized compounds in comparison to experimentally validated inhibitor N3. Moreover, in-silico ADMET study displays excellent druggability and extremely low level of toxicity of the synthesized molecules. Further, for better understanding, the molecular dynamic approach was implemented to study the change in dynamicity after the compounds bind to the protein. A detailed investigation through clustering analysis and distance calculation gave us sound comprehensive data about their molecular interaction. In summary, we anticipate that the currently synthesized molecules could not only be a potential set of inhibitors against 3CLpro but also the insights acquired from the current study would be instrumental in further developing novel natural flavonoid based anti-COVID therapeutic spectrums. 相似文献
1000.
Surya Prakasarao Chodisetti V. K. Malik B. Venkata Manoj Kumar 《International Journal of Applied Ceramic Technology》2022,19(3):1367-1378
Highly dense electrically conductive silicon carbide (SiC)–(0, 10, 20, and 30 vol%) titanium boride (TiB2) composites with 10 vol% of Y2O3–AlN additives were fabricated at a relatively low temperature of 1800°C by spark plasma sintering in nitrogen atmosphere. Phase analysis of sintered composites reveals suppressed β→α phase transformation due to low sintering temperature, nitride additives, and nitrogen sintering atmosphere. With increase in TiB2 content, hardness increased from 20.6 to 23.7 GPa and fracture toughness increased from 3.6 to 5.5 MPa m1/2. The electrical conductivity increased to a remarkable 2.72 × 103 (Ω cm)–1 for SiC–30 vol% TiB2 composites due to large amount of conductive reinforcement, additive composition, and sintering in nitrogen atmosphere. The successful electrical discharge machining illustrates potential of the sintered SiC–TiB2 composites toward extending the application regime of conventional SiC-based ceramics. 相似文献