Notes

Self-confidence times associated with idea exactness measures regarding multivariable idea designs based on the bootstrap-based optimism correction strategies.
Among the present numerous chemical libraries, acetonitrile is the one of famous common organic solvents widely used in modern science and industry. Since it has been known as very stable and inert solvent, there has been little doubt on its catalytic decomposition to cyanide in mild condition. In this report, I provide new evidence on the catalytic decomposition of acetonitrile at conventional gold surfaces without any electrochemical treatment. Various surface enhanced Raman spectroscopic (SERS) measurements on high-purity acetonitrile reveal that the observed anomalous peak originates from the plasmonically cleaved cyanide group on SERS-active gold surface, which is also supported by the results of time of flight-secondary ion mass spectrometry (TOF-SIMS). selleck chemicals This work sheds light on the plasmonic induced unprecedented reaction of the small chemical species that have been known intact.Liver cancer is the most common fatal malignant tumor in the world. Early diagnosis of liver cancer can improve the survival rate of the patients with liver disease. In this paper, Fourier transform infrared (FTIR) spectroscopy combined with curve fitting and chemometrics was used to distinguish the serum from patients from that of healthy people. The curve fitting results in protein range of 1700-1600 cm-1 showed that there were differences in the secondary structure of protein in serum between the patients with liver cancer and healthy people. Principal component analysis (PCA) in lipid range of 2900-2800 cm-1 could distinguish the serum of patients with liver cancer from that of healthy people. The first two principal components PC1 and PC2 explained 95% of the total data variance. The sensitivity and specificity of partial least squares discriminant analysis (PLS-DA) in lipid range of 2900-2800 cm-1 reached 92.85% and 95.23% respectively. It is shown that FTIR spectroscopy might be developed as an effective method for the diagnosis of liver cancer.Based on the principle of FRET, we have developed a ratiometric and colorimetric fluorescent probe TFBN, which can specifically recognize SO2 derivatives (SO32-/HSO3-), and exhibit a transition from red to green fluorescence under 405 nm excitation. The probe TFBN owns the advantages of short response time ( less then 3 min), quantitative detection SO2 derivatives in two linear ranges, extremely low detection limit (39 nM), large Stokes shift (239 nm) and wide emission window gap (140 nm). In addition, the NBC structure was used as a fluorescent donor for FRET probes for the first time, which expanded the diversity of donors. Importantly, with low toxicity and good biocompatibility, the probe TFBN successfully detects exogenous and endogenous sulfites in living cells. These characteristics endow the probe TFBN can be successfully used in living cells and mouse imaging.
To assess if single shot acquisitions with solid-state dosimeters as well as Robson's method could replace ionization chambers for tube output and HVL measurements, saving medical physicists time.

The energy responses of 4 solid-state dosimeters with automatic calculation of HVL were compared to ionization chamber measurements. Five anode/filter combinations were tested Mo/Mo, Mo/Rh, Rh/Rh, W/Rh and W/Ag, from 24kVp to 35kVp. Tube output was measured free in air. HVL was measured using the solid-state dosimeters (single-shot acquisition), then manually with aluminum sheets and finally using the parametrization method of Robson.

Deviations in tube output and HVL related to energy response in SSD were small in the 25-32 kVp range, and for tube output typically within 3%. Extrapolation using the Robson parametrization was within 5%, except for one device and for all W/Rh. Deviations of the HVL using the single shot approach were within 10% of the gold standard data. Larger deviations were found at the extreme tube voltages of 24kVp and 35kVp (maximum of 24%).

With the assumption that deviations in tube output of 5% and for HVL of 10% are acceptable, all tested solid state dosimeters met this criterion in the tube voltage range of 26kVp to 32kVp. Robson's method worked well for the spectra for which the method was developed, making both alternative approaches trustworthy for routine quality assurance purposes.
With the assumption that deviations in tube output of 5% and for HVL of 10% are acceptable, all tested solid state dosimeters met this criterion in the tube voltage range of 26kVp to 32kVp. Robson's method worked well for the spectra for which the method was developed, making both alternative approaches trustworthy for routine quality assurance purposes.
To compare the organ-dose and effective-dose (E) delivered to the patient during percutaneous vertebroplasty (PVP) of one thoracic or lumbar vertebra performed under CT guidance or using a fixed C-arm.

Consecutive adult patients undergoing PVP of one vertebra under CT-guidance, with optimized protocol and training of physicians, or using a fixed C-arm were retrospectively included from January 2016 to June 2017. Organ-doses were computed on 16 organs using CT Expo 2.4 software for the CT procedures and PCXMC 2.0 for the fixed C-arm procedures. E was also computed with both software. Dosimetric values per anatomic locations for all procedures were compared using the paired Mann-Whitney-Wilcoxon test.

In total, 73 patients were analysed (27 men and 46 women, mean age 78±10years) among whom 35 (48%) underwent PVP under CT guidance and 38 (52%) PVP using a fixed C-arm. The median E was 11.31 [6.54; 15.82] mSv for all PVPs performed under CT guidance and 5.58 [3.33; 8.71] mSv for fixed C-arm and the differences was significant (p<0.001). For lumbar PVP, the organ doses of stomach, liver and colon were significantly higher with CT-scan than with the fixed C-arm 97% (p=0.02); 21% (p=0.099) and 375% (p=0.002), respectively. For thoracic PVP, the lung organ dose was significantly higher with CT-scan than with the fixed C-arm (127%; p<0.001) and the oesophagus organ doses were not significantly different (p = 0.626).

This study showed that the E and the organ dose on directly exposed organs were both higher for PVP performed under CT-guidance than with the fixed C-arm.
This study showed that the E and the organ dose on directly exposed organs were both higher for PVP performed under CT-guidance than with the fixed C-arm.
To perform the validation of the GPU-based (Graphical Processing Unit based) proton Monte Carlo (MC) dose engine implemented in a commercial TPS (RayStation 10B) and to report final dose calculation times for clinical cases.

440 patients treated at the Proton Therapy Center of Trento, Italy, between 2018 and 2019 were selected for this study. 636 approved plans with 3361 beams computed with the clinically implemented CPU-MC dose engine (version 4.2 and 4.5), were used for the validation of the new algorithm. For each beam, the dose was recalculated using the new GPU-MC dose engine with the initial CPU computation settings and compared to the original CPU-MC dose. Beam dose difference distributions were studied to ensure that the two dose distributions were equal within the expected fluctuations of the MC statistical uncertainty (s) of each computation. Plan dose distributions were compared with respect to the dosimetric indices D
, D
and D
of all ROIs defined as targets. A complete assessment of the nificant increase in dose calculation speed is expected to facilitate new clinical workflows.
A validation of a clinical MC algorithm running on GPU was performed on a large pool of patients treated with pencil beam scanning proton therapy. We demonstrated that the differences with the previous CPU-based MC were only due to the intrinsic statistical fluctuations of the MC method, which translated to insignificant differences on plan dose level. The significant increase in dose calculation speed is expected to facilitate new clinical workflows.A set of new substituted dienes were synthesized from betulinic acid by its oxidation to 30-oxobetulinic acid followed by the Wittig reaction. Cytotoxicity of all compounds was tested in vitro in eight cancer cell lines and two noncancer fibroblasts. Almost all dienes were more cytotoxic than betulinic acid. Compounds 4.22, 4.30, 4.33, 4.39 had IC50 below 5 μmol/L; 4.22 and 4.39 were selected for studies of the mechanism of action. Cell cycle analysis revealed an increase in the number of apoptotic cells at 5 × IC50 concentration, where activation of irreversible changes leading to cell death can be expected. Both 4.22 and 4.39 led to the accumulation of cells in the G0/G1 phase with partial inhibition of DNA/RNA synthesis at 1 × IC50 and almost complete inhibition at 5 × IC50. Interestingly, compound 4.39 at 5 × IC50 caused the accumulation of cells in the S phase. Higher concentrations of tested drugs probably inhibit more off-targets than lower concentrations. Mechanisms disrupting cellular metabolism can induce the accumulation of cells in the S phase. Both compounds 4.22 and 4.39 trigger selective apoptosis in cancer cells via intrinsic pathway, which we have demonstrated by changes in the expression of the crucial apoptosis-related protein. Pharmacological parameters of derivative 4.22 were superior to 4.39, therefore 4.22 was the finally selected candidate for the development of anticancer drug.To discover PDE4/tubulin dual inhibitors with novel skeleton structures, 7-trimethoxyphenylbenzo[d]oxazoles 4a-u and 4-trimethoxyphenylbenzo[d]oxazoles 5a-h were designed and synthesized by migrating the trimethoxyphenyl group of TH03 to the benzo[d]oxazole moiety. Among these compounds, approximately half of them displayed good antiproliferative activities against glioma (U251) and lung cancer (A549 and H460) cell lines. The structure-activity relationships of trimethoxyphenylbenzo[d]oxazoles led to the identification of 4r bearing indol-5-yl side-chain as a novel dual PDE4/tubulin inhibitor, which exhibited satisfactory antiproliferative activities against glioma (IC50 = 300 ± 50 nM) and lung cancer (average IC50 = 39.5 nM) cells. Further investigations revealed that 4r induced apoptosis at G2/M phase arrest and disrupted the microtubule network. The preliminary mechanism of action showed that 4r down-regulated the expression of cyclin B1 and its upstream regulator gene cdc25C in A549.Polymeric nanoparticles are highly important functional nanomaterials for a large range of applications from therapeutics to energy. Advances in nanotechnology have enabled the engineering of multifunctional polymeric nanoparticles with a variety of shapes and inner morphologies. Thanks to its inherent simplicity, the nanoprecipitation technique has progressively become a popular approach to construct polymeric nanoparticles with precise control of nanostructure. The present review highlights the great capability of this technique in controlling the fabrication of various polymeric nanostructures of interest. In particular, we show here how the nanoprecipitation of either block copolymers or mixtures of homopolymers can afford a myriad of colloids displaying equilibrium (typically onion-like) or out-of-equilibrium (stacked lamellae, porous cores) morphologies, depending whether the system "freezes" while passing the glass transition or crystallization point of starting materials. We also show that core-shell morphologies, either from polymeric or oil/polymer mixtures, are attainable by this one-pot process.
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