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Experimental and theoretical investigations of 4-hydroxy L-proline cadmium chloride nonlinear optical crystal
摘要： The solution grown structure 4-hydroxy L-proline cadmium chloride (4HLPCC) single crystal has been done by means of X-ray diffraction method. The computational quantum mechanical modelling method was performed with B3LYP level and LanL2DZ basis set to determine optimized geometry, dipolar moment, linear polarizability, first order hyperpolarizability, atomic charges of various atoms, thermodynamic parameters, HOMO-LUMO energy gap and vibrational frequencies of 4HLPCC. The vibrational frequencies of 4HLPCC were observed experimentally through FTIR and FT-RAMAN analyses and compared with theoretical frequencies. The electric properties were detected by dielectric studies. The frequency doubling of the grown crystal was made with Kurtz-Perry powder technique.
关键词： Polarizability,4-hydroxy L-proline cadmium chloride,DFT,Nonlinear optical properties,Hyperpolarizability
更新于2025-09-23 15:19:57
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Morphological changes and antioxidative capacity of jute (Corchorus capsularis, Malvaceae) under different color light-emitting diodes
摘要： Light quality is an important environmental factor controlling plant growth and development. On the other hand, jute (Corchorus capsularis L.) (jute) is sensitive to light quality and the factory production of C. capsularis for vegetable use and for transplanting in the field requires an investigation of the responses of C. capsularis to light quality. For this purpose, a pot experiment was conducted to investigate the effect of different color light-emitting diodes (LED) on growth, chlorophyll contents, reactive oxygen species (ROS) production and antioxidative defense system in C. capsularis under glasshouse environment. Different light-emitting diodes were used in this study: white light (WL), red light (RL), dark red light (DL), mixed dark red light (ML), blue light (BL) and orange light (OL). Results showed that RL, DL and ML significantly (P ≤ 0.05) increased plant height, crown length and plant biomass as compared with control (WL). All red-light spectrum, i.e., RL, DL and ML, improved leaf development, but decreased malondialdehyde (MDA) and proline contents as well as activity of superoxide dismutase (SOD) and peroxidase (POD). Meanwhile, chlorophyll contents were also augmented. In contrast, BL and OL reduced plant growth, biomass, chlorophyll contents and increased activities of SOD, POD, content of proline, MDA, and reduced the total soluble protein which suggested that plants grown under BL and OL undergo high environmental stress. These results depicted that all red lights, i.e., red, dark red, mixed red lights, can be effectively implemented for industrial production of C. capsularis.
关键词： Growth,White jute,Proline
更新于2025-09-11 14:15:04
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Residue-Specific Conformational Heterogeneity of Proline-Rich Sequences Uncovered via Infrared Spectroscopy
摘要： Conformational heterogeneity is critical to understanding protein function but challenging to quantify. Experimental approaches that can provide sufficient temporal and spatial resolution to measure even rapidly interconverting states at specific locations in proteins are needed to fully elucidate the contribution of conformational heterogeneity and dynamics to function. Infrared spectroscopy in combination with the introduction of carbon deuterium bonds, which provide frequency-resolved probes of their environments, can uncover rapidly interconverting states with residue-specific detail. Using this approach, we quantify conformational heterogeneity of proline-rich peptides associated with different proline backbone conformations, as well as reveal their dependence on the sequence context.
关键词： Carbon deuterium bonds,Protein function,Infrared spectroscopy,Proline-rich sequences,Conformational heterogeneity
更新于2025-09-10 09:29:36