Effects of C-H stretching excitation on the dynamics of the O(1D) + CHD3 → OH/OD + CD3/CHD2 reaction.

The vibrationally excited reaction O(1D) + CHD3(ν1 = 1) has been investigated by crossed-molecular-beam experiments with a time-sliced velocity map imaging technique. Detailed and quantitative information is extracted on the C-H stretching excitation effects on the reactivity and dynamics of the title reaction, with the help of preparation of C-H stretching excited CHD3 molecules by direct infrared excitation. Experimental results show that the vibrational stretching excitation of the C-H bond almost does not affect the relative contributions between different dynamical pathways for all product channels.

Computed Tomography Radiomics-based Prediction Model for Gender-Age-Physiology Staging of Connective Tissue Disease-associated Interstitial Lung Disease.

Purpose: To analyze the feasibility of predicting gender-age-physiology (GAP) staging in patients with connective tissue disease-associated interstitial lung disease (CTD-ILD) by radiomics based on computed tomography (CT) of the chest.

Materials And Methods: Chest CT images of 184 patients with CTD-ILD were retrospectively analyzed. GAP staging was performed on the basis of gender, age, and pulmonary function test results.

Corrigendum: MRI radiomics predicts progression-free survival in prostate cancer.

[This corrects the article DOI: 10.3389/fonc.2022.

Radiomics based on preoperative rectal cancer MRI to predict the metachronous liver metastasis.

Purpose: At present, there are few effective method to predict metachronous liver metastasis (MLM) from rectal cancer. We aim to investigate the efficacy of radiomics based on multiparametric MRI of first diagnosed rectal cancer in predicting MLM from rectal cancer.

Methods: From 301 consecutive histopathologically confirmed rectal cancer patients, 130 patients who have no distant metastasis detected at the time of diagnosis were enrolled and divided into MLM group (n = 49) and non-MLM group (n = 81) according to whether liver metastasis be detected later than 6 month after the first diagnosis of rectal cancer within 3 years' follow-up.

MRI radiomics predicts progression-free survival in prostate cancer.

Objective: To assess the predictive value of magnetic resonance imaging (MRI) radiomics for progression-free survival (PFS) in patients with prostate cancer (PCa).

Methods: 191 patients with prostate cancer confirmed by puncture biopsy or surgical pathology were included in this retrospective study, including 133 in the training group and 58 in the validation group. All patients underwent T2WI and DWI serial scans.

Derivatization-free determination of carbonyl compounds using bifunctional chemiluminescence coreactant thiourea dioxide.

Uniquely, thiourea dioxide not only can reduce carbonyl compounds but also generate an oxidant to trigger luminol chemiluminescence. Herein, derivatization-free carbonyl compound detection using bifunctional chemiluminescence coreactant thiourea dioxide has been developed for the first time with the second most crucial flavor benzaldehyde as a representative.

Chemiluminescence of lucigenin-tetracycline and its application for sensitive determination of procyanidin.

Tetracycline was reported to trigger intense lucigenin chemiluminescence (CL). Based on its significant quenching to lucigenin-tetracycline CL, procyanidin was detected. The mechanism of the lucigenin-tetracycline CL and its quenching by procyanidin were proposed.

Development of lucigenin-N-hydroxyphthalimide chemiluminescence system and its application to sensitive detection of Co.

N-hydroxyphthalimide (NHPI) is an efficient organic catalyst and an important chemical raw material which can be used as an intermediate in organic synthesis of drugs and pesticides. In this study, NHPI has been used as a coreactant of lucigenin chemiluminescence (CL) for the first time. The CL of the developed system is significantly enhanced in the presence of Co.

Protective Effects of Grape Seed Proanthocyanidin Extract in Preventing DSS Induced Ulcerative Colitis Based on Pharmacodynamic, Pharmacokinetic and Tissue Distribution.

Background: Based on pharmacodynamic, pharmacokinetic and tissue distribution studies, we explored the potential effect of grape seed proanthocyanidin extract (GSPE) on dextran sodium sulfate (DSS) -induced ulcerative colitis in mice and its underlying mechanism.

Methods: A liquid chromatography-mass spectrometry method was developed to measure the content of five components of GSPE in rat plasma and tissue. After oral administration of GSPE, correlative index levels of interleukin- 1β (IL-1β), interleukin-6 (IL-6), factor-α (TNF-α), Nitric Oxide (NO), malonaldehyde (MDA), and superoxide dismutase (SOD) were detected in the serum and colon tissues.

Mapping partial wave dynamics in scattering resonances by rotational de-excitation collisions.

One of the most important parameters in a collision is the 'miss distance' or impact parameter, which in quantum mechanics is described by quantized partial waves. Usually, the collision outcome is the result of unavoidable averaging over many partial waves. Here we present a study of low-energy NO-He collisions that enables us to probe how individual partial waves evolve during the collision.

Development and Validation of a Sensitive UPLC-Q-TOF-MS/MS for the Measurement of Nine Components in Rat Plasma and Tissues and its Application to Pharmacokinetics and Tissue Distribution Studies with Xuanfei Baidu Granules.

Background: Xuanfei Baidu granules (XFBD granules) are based on the prescription of Xuanfei Baidu, which showed promise as a first-line treatment against Corona Virus Disease 2019 (COVID-19) in Wuhan, Hubei. On March 2, 2021, XFBD granules were marketed as a novel drug for epidemic diseases. However, there is little information about the pharmacokinetics and tissue distribution of the main constituents in XFBD granules.

SOX4 induces drug resistance of colorectal cancer cells by downregulating CYLD through transcriptional activation of microRNA-17.

Exposure to high doses of anticancer drugs can induce the emergence of a subpopulation of weakly proliferative and drug-tolerant cells. Drug tolerance can reduce the benefits obtained from canonical treatment and reduce the survival rate of patients. Regulation of SRY-related HMG box transcription factor 4 (SOX4) has been proved to affect drug sensitivity.

Effectiveness of the fruit of Rosa odorata sweet var. gigantea (Coll. et Hemsl.) Rehd. et Wils in the protection and the healing of ethanol-induced rat gastric mucosa ulcer based on Nrf2/NF-κB pathway regulation.

Ethnopharmacological Relevance: Rosa odorata Sweet var. gigantea (Coll. et Hemsl.

Experimental and theoretical investigation of resonances in low-energy NO-H collisions.

The experimental characterization of scattering resonances in low energy collisions has proven to be a stringent test for quantum chemistry calculations. Previous measurements on the NO-H system at energies down to 10 cm challenged the most sophisticated calculations of potential energy surfaces available. In this report, we continue these investigations by measuring the scattering behavior of the NO-H system in the previously unexplored 0.

Correlations in rotational energy transfer for NO-D inelastic collisions.

We present a combined experimental and theoretical study of state-to-state inelastic collisions between NO (X Π, j = 1/2, f) radicals and D (j = 0, 1, 2, 3) molecules at collision energies of 100 cm and 750 cm. Using the combination of Stark deceleration and velocity map imaging, we fully resolve pair-correlated excitations in the scattered molecules. Both spin-orbit conserving and spin-orbit changing transitions in the NO radical are measured, while the coincident rotational excitation (j = 0 → j = 2) and rotational de-excitation (j = 2 → j = 0 and j = 3 → j = 1) in D are observed.

Imaging the onset of the resonance regime in low-energy NO-He collisions.

At low energies, the quantum wave-like nature of molecular interactions results in distinctive scattering behavior, ranging from the universal Wigner laws near 0 kelvin to the occurrence of scattering resonances at higher energies. It has proven challenging to experimentally probe the individual waves underlying these phenomena. We report measurements of state-to-state integral and differential cross sections for inelastic NO-He collisions in the 0.

A novel dual response ratiometric fluorescent probe for the determination of HO and glucose via etching of silver nanoparticles.

Based on the inner filter effect and charge transfer dual response mechanism, a dual response ratiometric fluorescent probe (D-RFP) with two reversible signal changes for sensing HO and glucose was developed. The D-RFP was proposed by embedding glycine-derived carbon dots (CDs) (λ = 400 nm) into silica nanoparticles and covalently linking CdTe quantum dots (QDs) (λ = 600 nm) onto the surface of silica nanoparticles. When silver nanoparticles (Ag NPs) were mixed with D-RFP, the fluorescence intensity of CDs can be quenched by Ag NPs via the inner filter effect.

Associative desorption of hydrogen isotopologues from copper surfaces: Characterization of two reaction mechanisms.

We report quantum-state resolved measurements of angular and velocity distributions of the associative desorption of H, HD, and D from Cu(111) and Cu(211) surfaces. The desorbing molecules have bimodal velocity distributions comprising a "fast" channel and a "slow" channel on both facets. The "fast channel" is promoted by both hydrogen incidence translational and vibrational energy, while the "slow channel" is promoted by vibrational energy but inhibited by translational energy.

Effect of surface charge status of amorphous porous coordination polymer particles on the adsorption of organic dyes from an aqueous solution.

The surface charge status of coordination polymer particles (CPPs) from negative electrification through electrically neutral to positive electrification was achieved by varying the amount of acetic acid. The adsorption capacity of CPPs-1 with a negatively charged framework for the anionic dye Congo red (CR) is much higher than that of the CPPs-5, which possess a positively charged framework, because of different adsorption mechanisms. This is the first reported example of negatively charged CPPs exhibiting excellent adsorption performance toward anionic organic dyes.

Highly Sensitive Ratiometric Fluorescent Sensor for Trinitrotoluene Based on the Inner Filter Effect between Gold Nanoparticles and Fluorescent Nanoparticles.

In this work, we developed a simple and sensitive ratiometric fluorescent assay for sensing trinitrotoluene (TNT) based on the inner filter effect (IFE) between gold nanoparticles (AuNPs) and ratiometric fluorescent nanoparticles (RFNs), which was designed by hybridizing green emissive carbon dots (CDs) and red emissive quantum dots (QDs) into a silica sphere as a fluorophore pair. AuNPs in their dispersion state can be a powerful absorber to quench CDs, while the aggregated AuNPs can quench QDs in the IFE-based fluorescent assays as a result of complementary overlap between the absorption spectrum of AuNPs and emission spectrum of RFNs. As a result of the fact that TNT can induce the aggregation of AuNPs, with the addition of TNT, the fluorescent of QDs can be quenched, while the fluorescent of CDs would be recovered.

Evidence for Electron-Hole Pair Excitation in the Associative Desorption of H and D from Au(111).

The dissociative adsorption reaction of hydrogen on noble metals is believed to be well-described within the Born-Oppenheimer approximation. In this work, we have experimentally derived translational energy distributions for selected quantum states of H and D formed in associative desorption reactions at a Au(111) surface. Using the principle of detailed balance, we compare our results to theory carried out at the same level of sophistication as was done for the reaction on copper.

Trapped Abstraction in the O((1)D) + CHD3 → OH + CD3 Reaction.

Despite significant progress made in past decades, it is still challenging to elucidate dynamics mechanisms for polyatomic reactions, in particular, involving complex formation. The reaction of O((1)D) with methane has long been regarded as a prototypical polyatomic system of direct insertion reaction in which the O((1)D) atom can insert into the C-H bond of methane to form a "hot" methanol intermediate before decomposition. Here, we report a combined theoretical and experimental study on the O((1)D) + CHD3 reaction, on which good agreement between theory and experiment is achieved.

Velocity map imaging study of the reaction dynamics of the H + CH4 → H2 + CH3 reaction: the isotope effects.

Following our previous study on the H + CD4 → HD + CD3 reaction [ Proc. Natl. Acad.