Anthracene-bridged sensitizers for environmentally compatible dye-sensitized solar cells: In silico modelling and prediction.

Advancement in solar cells has gained the attention of researchers due to increasing demand and renewable energy sources. Modeling of electron absorbers and donors has been performed extensively for the development of efficient solar cells. In this regard, efforts are being made for designing effective units for the active layer of solar cells. In this study, CXC22 was utilized as a reference in which acetylenic anthracene acted as a π bridge and infrastructure was D-π-A. We theoretically designed four novel dye-sensitized solar cells JU1-JU4 by utilizing reference molecules to improve the photovoltaic and optoelectronic properties. All designed molecules differ from R by donor moiety modifications. Different approaches were done to R and all molecules to explore different analyses like binding energies, excitation energies, dipole moment, TDM (transition density matrix), PDOS (partial density of states), absorption maxima, and charge transfer analysis. For the evaluation of results, we used the DFT technique and the findings demonstrated that the JU3 molecule showed a better redshift absorption value (761 nm) as compared to all other molecules due to the presence of anthracene in the donor moiety which lengthens the conjugation. JU3 was proven to be the best candidate among all due to improved excitation energy (1.69), low energy band gap (1.93), higher λmax value, and improved electron and hole energy values leading toward higher power conversion efficiency. All the other theoretically formed molecules exhibited comparable outcomes as compared to a reference. As a result, this work revealed the potential of organic dyes with anthracene bridges for indoor optoelectronic applications. These unique systems are effective contributors to the development of high-performance solar cells. Thus, we provided efficient systems to the experimentalists for the future development of solar cells.

Recent Developments in Artificial Super-Wettable Surfaces Based on Bioinspired Polymeric Materials for Biomedical Applications.

Inspired by nature, significant research efforts have been made to discover the diverse range of biomaterials for various biomedical applications such as drug development, disease diagnosis, biomedical testing, therapy, etc. Polymers as bioinspired materials with extreme wettable properties, such as superhydrophilic and superhydrophobic surfaces, have received considerable interest in the past due to their multiple applications in anti-fogging, anti-icing, self-cleaning, oil-water separation, biosensing, and effective transportation of water. Apart from the numerous technological applications for extreme wetting and self-cleaning products, recently, super-wettable surfaces based on polymeric materials have also emerged as excellent candidates in studying biological processes. In this review, we systematically illustrate the designing and processing of artificial, super-wettable surfaces by using different polymeric materials for a variety of biomedical applications including tissue engineering, drug/gene delivery, molecular recognition, and diagnosis. Special attention has been paid to applications concerning the identification, control, and analysis of exceedingly small molecular amounts and applications permitting high cell and biomaterial cell screening. Current outlook and future prospects are also provided.

Early Allograft Dysfunction Following Liver Transplant: Impact of Obesity, Diabetes, and Red Blood Cell Transfusion.

PURPOSE: We examined the role of obesity and intraoperative red blood cell (RBC) and platelet transfusion in early allograft dysfunction (EAD) following liver transplantation (LT). METHODS: This is a retrospective analysis of 239 adult deceased-donor LT recipients over a 10-year period. EAD was defined by Olthoff's criteria. Data collection included donor (D) and recipient (R) age, body mass index (BMI) ≥ 35 kg/m2, diabetes mellitus, allograft macrosteatosis, and intraoperative (RBC) and platelet administration. We employed logistic regression to evaluate associations of these factors with EAD. Results are presented as odds ratios (OR) and 95% confidence intervals (CI) with corresponding P values. A P ≤ .05 was considered statistically significant. RESULTS: EAD occurred in 85 recipients (36%). Macrosteatosis data were available for 199 donors. In the multivariate analyses, BMI-D ≥ 35 kg/m2 increased the odds of developing EAD by 156% in the entire cohort (OR 2.56, 95% CI 1.09-6.01) and by 187% in recipients with macrosteatosis data (n = 199, OR 2.87, 95% CI 1.15-7.15). Each unit of RBCs increased the odds for EAD by 8% (OR 1.08, 95% CI 1.02-1.14) and, for the subgroup of 238 recipients with macrosteatosis data, by 9% (OR 1.09, 95% CI 1.02-1.16). CONCLUSION: We found a significant independent association of donor obesity and intraoperative RBC transfusion with EAD but no such association for platelet administration, MELD score, age, recipient obesity, and diabetes.

Stereoselective Pharmacokinetics and Chiral Inversions of Some Chiral Hydroxy Group Drugs.

BACKGROUND: Chiral safety, especially chiral drug inversion in vivo, is the top priority of current scientific research. Medicine researchers and pharmacists often ignore that one enantiomer will be converted or partially converted to another enantiomer when it is ingested in vivo. So that, in the context that more than 50% of the listed drugs are chiral drugs, it is necessary and important to pay attention to the inversion of chiral drugs. METHODS: The metabolic and stereoselective pharmacokinetic characteristics of seven chiral drugs with one chiral center in the hydroxy group were reviewed in vivo and in vitro including the possible chiral inversion of each drug enantiomer. These seven drugs include (S)-Mandelic acid, RS-8359, Tramadol, Venlafaxine, Carvedilol, Fluoxetine and Metoprolol. RESULTS: The differences in stereoselective pharmacokinetics could be found for all the seven chiral drugs, since R and S isomers often exhibit different PK and PD properties. However, not every drug has shown the properties of one direction or two direction chiral inversion. For chiral hydroxyl group drugs, the redox enzyme system may be one of the key factors for chiral inversion in vivo. CONCLUSION: In vitro and in vivo chiral inversion is a very complex problem and may occur during every process of ADME. Nowadays, research on chiral metabolism in the liver has the most attention, while neglecting the chiral transformation of other processes. Our review may provide the basis for the drug R&D and the safety of drugs in clinical therapy.

Effect of early allograft dysfunction on outcomes following liver transplantation.

Early allograft dysfunction (EAD) following liver transplantation (LT) remains a challenge for patients and clinicians. We retrospectively analyzed the effect of pre-defined EAD on outcomes in a 10-year cohort of deceased-donor LT recipients with clearly defined exclusion criteria. EAD was defined by at least one of the following: AST or ALT >2000 IU/L within first-week post-LT, total bilirubin ≥10 mg/dL, and/or INR ≥1.6 on post-operative day 7. Ten patients developed primary graft failure and were analyzed separately. EAD occurred in 86 (36%) recipients in a final cohort of 239 patients. In univariate and multivariate analyses, EAD was significantly associated with mechanical ventilation ≥2 days or death on days 0, 1, PACU/SICU stay >2 days or death on days 0-2 and renal failure (RF) at time of hospital discharge (all P<.05). EAD was also significantly associated with higher one-year graft loss in both uni- and multivariate Cox hazard analyses (P=.0203 and .0248, respectively). There was no difference in patient mortality between groups in either of the Cox proportional hazard models. In conclusion, we observed significant effects of EAD on short-term post-LT outcomes and lower graft survival.

Pre-emptive antibiotic therapy to reduce ventilator-associated pneumonia: "thinking outside the box".

Mechanically ventilated, intubated patients are at increased risk for tracheal colonization with bacterial pathogens that may progress to heavy bacterial colonization, ventilator-associated tracheobronchitis (VAT), and/or ventilator-associated pneumonia (VAP). Previous studies report that 10 to 30 % of patients with VAT progress to VAP, resulting in increased morbidity and significant acute and chronic healthcare costs. Several natural history studies, randomized, controlled trials, and a meta-analysis have reported antibiotic treatment for VAT can reduce VAP, ventilator days, length of intensive care unit (ICU) stay, and patient morbidity and mortality. We discuss early diagnostic criteria, etiologic agents, and benefits of initiating, early, appropriate intravenous or aerosolized antibiotic(s) to treat VAT and reduce VAP, to improve patient outcomes by reducing lung damage, length of ICU stay, and healthcare costs.