The molecular structure, UV-Visible spectra, and optical properties of D-π-A conjugated organic dye molecules (Disperse Red 1 (DR1) and Disperse Red 73 (DR73)) were analyzed using Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) and compared with Azobenzene molecule to study the effect of Donor and Acceptor substituents on the molecular properties. The performance of DFT functionals is investigated using B3LYP hybrid functional and three long-range corrected functionals (CAM-B3LYP, LC-ωPBE, and ωB97XD) in conjunction with 6-31G(d,p) basis set. Using TD-DFT, we calculate the vertical excitation energies and transition dipole moment values for 100 excited states. These values were further utilized to calculate frequency dependent polarizability under Sum-Over-States (SOS) formalism and refractive index of these molecular systems. We observe that B3LYP and CAM-B3LYP perform well in estimating molecular structures while CAM-B3LYP models the UV-Visible spectra of molecules with the least error compared to experimental results. Therefore, CAM-B3LYP is reported to be the most suitable candidate for modelling disperse dye molecules. Large polarizability response is also observed for these molecules (DR1 and DR73) in comparison to parent Azobenzene structure due to charge transfer between donor and acceptor groups. For DR1 and DR73 molecules, α xx component of polarizability dominates in contrast to azobenzene where α zz dominates. The HOMO → LUMO transition during excitation contributes to the peak molecular response in simulated UV-Visible spectra. The high polarizability response of selected D-π-A conjugated molecules in comparison to parent molecule suggests that these molecules are promising candidates for tailor-made photonic and optoelectronic device development.
Introduction: Since many new diabetic medications are costly and often have side effects, quick feedback would allow for timely decisions. The current study present the role of CGM in titrate medication to achieve glycemic target of diabetes mellitus patients using 14 days CGM report (AGP).
Methodology: Retrospective AGP of 214 patients was collected from 2017 to 2019. Target glucose range was considered as 70-180 mg/dL, hypoglycemia was categorized as low (54-69 mg/dL) and very low (<54 mg/dL) and hyperglycemia as high (180-250 mg/dL) and very high (>250 mg/dL). The % of time a patient spent in above ranges was illustrated as time in target range (TIR), time below range (TBR), and time above range (TAR), respectively. The glycemic variability (GV) parameters included standard deviation (SD) and coefficient of variation (CV). Changes in diabetic medications were done, if required, after first week of CGM. Variation in TIR, TAR, TBR and CV were analyzed before (first week) and after medication (last week).
Results: Improvement was observed in mean glucose values and SD from 152.1 to 135.5 and 41.0 to 35.1 mg/dL, respectively, % of time in TIR from 57.9 to 64.5% and TAR from 25.9 to 16.9% (high: 16.9 to 12.6% and very high: 9.0 to 4.3%) from first to last week. However, % of time in hypoglycemia (TBR) was increased from 7.9 to 11.2% (low: 6.6 to 8.8% and very low: 1.3 to 2.4%). The patients count with high glycemic variability (CV >36) was reduced from 27 to 21. The average eA1C was improved by 0.6 units (6.9 to 6.3).
Conclusion: The patients who were hyperglycemic were well controlled with medication, albeit with episodes of hypoglycemia during night-time. The treating clinicians can focus on these soft spots after first week instead of waiting long to intervene if they use CGM to titrate the medication. Thus, CGM can be instrumental in giving quick feedback in maintaining desired glycemic targets.
Disclosure
M. Sabharwal: None. S. Palukuri: None. S. Deka: None. G. Chanana: None. R. Kumar: None.
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