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Intramolecular vibrational energy relaxation (IVR) is important in many problems in chemical physics. Here, we apply the short-time Fourier transform method for analyzing IVR with classical dynamics. Calculating time-dependent Fourier transforms to perform such an analysis requires extending the usual Fourier transform method, and we do that here. The guiding concept behind the generalization is that if there is a shift of vibrational energy from one frequency range to another, we see a difference between the spectrum before the shift and the spectrum after the shift. We use time-window functions to transform the power spectrum of a trajectory into a time-dependent density spectrum of the average kinetic energy. The time-dependent average kinetic energy for each interval of the spectrum becomes an indicator to monitor the extent and nature of the energy transfer into and out of the corresponding modes. We illustrate this method for the H

A new extension of the TUMME master-equation program is used to explore the time evolutions of the concentrations of the OH radical and the reaction complex under pseudo-first-order conditions.

The abstraction reaction of hydrogen from formaldehyde by OH radical plays an important role in formaldehyde oxidation. The reaction involves a bimolecular association to form a chemically activated hydrogen-bonded reaction complex followed by a unimolecular reaction of the complex to generate the products. The reaction rate is usually considered to be pressure-independent by assuming equilibrium between the reactants and the complex. However, our nonequilibrium calculations based on the chemically significant eigenmode of the master equation, carried out with our recently developed

OH-initiated oxidation reactions of

Barker and Ortiz found unusual falloff effects in the flux coefficients of the competitive unimolecular reactions of 2-methylhexyl radicals, and they concluded that this might have important effects on the rate constants of reactions with higher thresholds. To study this effect, we carried out master equation calculations of the same reaction system to learn whether this effect shows up in measurable rate constants, and the answer is yes. We also studied specially designed mechanisms to reveal that the various reactive pathways connecting the reagents can have a large effect on the rate constants, causing them to be quite different than if the reactions proceeded independently, and that reactions with significantly higher barriers may nevertheless have larger rate constants. This provides a new perspective for interpreting and predicting the kinetics of competitive unimolecular reactions.

Chondroitin sulfate (CCS) was purified from discarded codfish (Gadus macrocephalus) bones, and its chemical structure and anticoagulant activity were assessed. CCS was obtained via enzymatic lysis and ion-exchange column chromatography, with a yield of approximately 0.15%. High-performance gel performance chromatography revealed CCS to be a largely homogeneous polysaccharide with a relatively low molecular weight of 12.3 kDa. FT-IR spectroscopy, NMR spectroscopy, and SAX-HPLC indicated that CCS was composed of monosulfated disaccharides (ΔDi4S 73.85% and ΔDi6S 19.06%) and nonsulfated disaccharides (ΔDi0S 7.09%). In vitro anticoagulation analyses revealed that CCS was able to significantly prolong activated partial thromboplastin time (APTT) and thrombin time (TT) (p 0.05). At a CCS concentration of 5 μg/mL and 25 μg/mL, APTT and TT were approximately 1.08 and 1.12 times higher, respectively, compared to the negative control group. The results indicated that CCS might offer value as a dietary fiber supplement with the potential to prevent the incidence of coagulation-related thrombosis.

We evaluated the in vitro digestibility of apple polyphenols mimicking elderly and adult digestion models (dynamic and static systems). The digestibility of total apple polyphenols in small intestine was much higher in the adult dynamic system (62 μg/100 g fresh apple) compared to the static system (20 μg/100 g fresh apple) and elderly dynamic digestion conditions (33 μg/100 g fresh apple). Elderly in vitro static digestion showed better antioxidant activity than the adult system (OH and ABTS

With rapid urbanization, the increasing building stock, building operation energy consumption and the corresponding carbon emissions have become the important factors restricting the sustainable development of cities. To reduce energy consuming, it is necessary to explore the mechanisms underlying building's operational energy consumption and carbon emission. Although previous studies have analyzed the influencing factors and driving mechanism of urban building carbon emission from different perspectives, a systematical review of the relevant studies which could provide comprehensive guidance for building energy conservation and consumption reduction is fairly scarce. Following the Social-Economic-Natural Complex Ecosystem theory, we comprehensively discussed the driving mechanisms of the building's operational energy consumption and carbon emission. We further analyzed the various single-source driving mechanisms from the perspective of socio-economic, building feature, regional climate and microclimate conditions. Finally, we tackled the weaknesses of current researches and addressed the prospect for future development. The driving mechanism summarized in this work would contribute to the development of related research and support low carbon city construction.城市快速扩张的同时,不断增大的建筑存量、建筑运行能耗及相应的碳排放成为制约城市可持续发展的重要因素。为实现节能降耗,有必要对建筑能耗碳排放的驱动机理进行深入探究。已有研究从不同角度对建筑运行能耗碳排放的影响要素和驱动机理进行了分析论证,但仍缺乏系统综述从而难以为建筑节能降耗提供全面指导。本文基于“社会-经济-自然”复合生态系统理论,对驱动建筑能耗碳排放的复合机理进行综合论述;在此基础上,从社会经济、建筑体特征、区域气候/微气候等视角,整合并剖析了不同单源要素的建筑能耗碳排放驱动机理;最后,总结了当前城市建筑能耗驱动机理研究领域存在的不足,并对未来发展进行了展望。本文对建筑能耗碳排放驱动机理的系统梳理和总结,对相关研究具有重要的参考价值,对低碳城市建设亦具有重要的科技支撑作用。.

We carried out a direct dynamics study on the internal-energy dependence of the ensemble-averaged energy transfer moments of the isobutyl radical in collisions with N2 bath gas. We find a linear dependence of the downward moment ⟨ΔEd⟩ and the root-mean-square moment ⟨ΔE2⟩ on the initial internal energy, but the upward moment ⟨ΔEu⟩ is found to be independent of the molecule's internal energy. We improved the exponential-down relaxation model by including a linear dependence of ⟨ΔEd⟩ on the initial energy, and we used the improved treatment in the 1D master equation for isobutyl radical decomposition reactions and for a model of competitive reactions with a larger difference in barrier heights. We calculated phenomenological rate constants and branching ratios from chemically significant eigenmodes of the master equation and showed that the energy dependence of ⟨ΔEd⟩ has a greater influence on channels with higher barriers in competitive reactions. Rate constants and branching ratios from master equation calculations indicate that for a given temperature and pressure, there is a constant ⟨ΔEd⟩ that can reproduce results obtained with an E-dependent ⟨ΔEd⟩. But a constant ⟨ΔEd⟩ cannot do this for all temperatures and pressures, with larger differences when the barriers for the competing channels differ more. We conclude that when the branching ratio of competitive reactions is sensitive to pressure, including the energy dependence of ⟨ΔEd⟩ in master equation simulations can make a significant difference in the results.

We use canonical variational theory (CVT) with small-curvature tunneling (SCT) contributions to investigate quantum effects on the H2 diffusion process in the pure-silica zeolite RHO. At low temper...

Propanol (n-propanol or iso-propanol (i-propanol)) is a promising clean-burning oxygenated fuel component and fuel additive. Understanding its reactions with OH radical is of great significance in both combustion and atmospheric chemistry. In this work, we calculate the rate constants and branching ratios of the hydrogen abstraction reactions of n-propanol and i-propanol by OH radical in a broad temperature range of 63-2000 K using the competitive canonical unified statistical (CCUS) model. For both n-propanol and i-propanol, in both the high-pressure and low-pressure limits, the total reaction rate constants show a significant negative dependence on temperature in the low temperature regime and approach the capture rate for the formation of the pre-reactive complex when temperature is down to the ultracold regime. Several factors, tunneling, remarkable anharmonicity of high-frequency modes of transition states, and the presence of reaction channels with a negative free energy barrier, contribute to this phenomenon. We observe pressure-dependent branching fractions at T < ∼400 K for n-propanol or T < 200 K for i-propanol, and at higher temperatures, the branching fractions are independent of the pressure. The alpha-hydrogen (Hα) abstraction with a lower barrier is not always dominant as traditionally expected. The H-abstraction from the terminal carbon (Ht) of i-propanol, with a higher barrier, is dominant above 1000 K because of the remarkably larger effect of multi-structural and torsional (MS-T) anharmonicity. In the pressure-dependent ultra-low temperature regime and high-pressure limit, the beta-hydrogen (Hβ) abstraction and the hydrogen abstraction from the hydroxyl group (HO) become dominant for n-propanol and i-propanol, respectively, mainly due to the tunneling effect.

The formation of charge density wave (CDW) is attributed to Fermi-surface nesting in textbooks, but this common paradigm is challenged by recent studies that reveal the pronounced effects of electron-phonon interaction and defects. Transition-metal dichalcogenide $\mathrm{Ta}{\mathrm{Te}}_{2}$, being a prototype of charge density wave at around 170 K, is an ideal playground for exploring the mechanism of CDW. In this work, we reveal the subtle effect of defects on the CDW through studying a series of $\mathrm{Ta}{\mathrm{Te}}_{2\ensuremath{-}\ensuremath{\delta}}$ ($\ensuremath{\delta}=0.028\ensuremath{-}0.123$) crystals. Transport measurements show that $\mathrm{Ta}{\mathrm{Te}}_{1.972}$, being close to the stoichiometric compound, have a resistivity-kink feature (fingerprint of CDW) around 160 K along both $a$- and $b$ axes; $\mathrm{Ta}{\mathrm{Te}}_{1.933}$ only has a resistivity-kink feature along the $b$ axis. Remarkably, the resistivity kink completely disappears in $\mathrm{Ta}{\mathrm{Ta}}_{1.877}$. Raman spectroscopy not only confirms the corresponding structural phase transition, but also verifies decreased electron-phonon interaction at the \ensuremath{\Gamma} point of the Brillouin zone from $\mathrm{Ta}{\mathrm{Te}}_{1.972}$ to $\mathrm{Ta}{\mathrm{Te}}_{1.933}$ based on analysis of theoretical Fermi surface of 1 ${T}^{\ensuremath{'}}$ phase of $\mathrm{Ta}{\mathrm{Te}}_{2}$ before CDW phase transition. We propose that the CDW of $\mathrm{Ta}{\mathrm{Te}}_{2\ensuremath{-}\ensuremath{\delta}}$ ($\ensuremath{\delta}=0.028\ensuremath{-}0.067$) along the $a$ axis is mainly due to electron-phonon interaction, while CDW along the $b$ axis is the synergetic effect of Fermi-surface nesting and electron-phonon interaction; if dopant concentration is high enough $(\ensuremath{\delta}=0.123)$, CDW is completely quenched by disorder induced by doping. Our study reveals the subtle effects of doping on CDW, and may give more hints on the interplay between CDW and high-temperature superconductor in the doped Mott insulators.

TUMME is a program for assembling and solving master equations for gas-phase chemical kinetics based on chemically significant eigenmodes. TUMME has interfaces to the Gaussian, Polyrate, and/or MSTor output files that allow the master equation code to obtain the microcanonical flux coefficients needed for the coefficient matrix of the master equation. The flux coefficients for reactions with barriers can be calculated by multi-structural variational transition state theory with small-curvature tunneling (MS-VTST/SCT) or by simpler approximations to this such as conventional transition state theory without tunneling (also called RRKM theory). The flux coefficients for barrierless reactions are provided by a hard-sphere model. TUMME is written in double precision with Python 3; quadruple and octuple precision are also available for some subtasks in C++. The Python code can run in serial or parallel (MP or MPI), and the C++ code can run on a single processor or on multiple processors with OpenMP. Program summary Program Title: TUMME 2.2 CPC Library link to program files: https://doi.org/10.17632/whcnvm2mc9.1 Developer's repository link: https://comp.chem.umn.edu/tumme Licensing provisions: Apache-2.0 Programming languages: Python 3 and C++ External libraries: Numpy, Scipy, Numba, mpi4py (optional), modified mpack (optional), qd (optional), omp (optional) Nature of problem: Characterize a temperature-dependent and pressure-dependent complex reaction system. Solution method: Solve the energy master equation based on chemically significant eigenmodes to get phenomenological rate constants and time evolution of the populations. Additional comments including restrictions and unusual features: Interfaces to programs Gaussian, Polyrate, and/or MSTor; calculates rate constants and chemically significant eigenmodes; performs calculations by multi-structural variational transition state theory with small-curvature tunneling (MS-VTST/SCT) and/or by simpler theories; can use quadruple or octuple precision; can do calculations in parallelized modes.

In order to achieve the determination and quantification of trace lobetyolin and atractylenolide III in Codonopsis Radix, a procedure of dispersive liquid-liquid microextraction utilizing a hydrophobic deep eutectic solvent as the extractant combined with high performance liquid chromatography was developed. The primary variables affecting the extraction process, including the type, ratio and volume of extractant, pH and salt concentration in sample phase, type and volume of dispersant, extraction time, centrifugal speed and time were optimized. In this experiment, the deep eutectic solvent prepared by methyltrioctylammonium chloride and n-butanol was the best extractant. The both target analytes showed good linearity (r2 > 0.990) in their respective linear ranges (0.01–2.5 µg/mL and 0.009–2.0 µg/mL). And the limits of detection and quantification were 6 × 10−4 and 2 × 10−3 µg/mL for lobetyolin, 3 × 10−3 and 9 × 10−3 µg/mL for atractylenolide III. The enrichment factors were 37 for lobetyolin and 154 for atractylenolide III respectively. The relative standard deviations of precision were 1.2–6.4% and the spiked recovery values were in the range of 87.6–114.7% with the relative standard deviations of 1.5–4.7%. It is successful to objectively and clearly distinguish the three origins of Codonopsis Radix by comparing the contents of the both analytes with proposed method.

We use canonical variational theory (CVT) with small-curvature tunneling (SCT) contributions to investigate quantum effects on the H

We calculated the kinetics of chemical activation reactions of toluene with hydroxyl radical in the temperature range from 213 K to 2500 K and the pressure range from 10 Torr to the high-pressure limit by using multistructural variational transition state theory with the small-curvature tunneling approximation (MS-CVT/SCT) and using the system-specific quantum Rice-Ramsperger-Kassel method. The reactions of OH with toluene are important elementary steps in both combustion and atmospheric chemistry, and thus it is valuable to understand the rate constants both in the high-pressure, high-temperature regime and in the low-pressure, low-temperature regime. Under the experimental pressure conditions, the theoretically calculated total reaction rate constants agree well with the limited experimental data, including the negative temperature dependence at low temperature. We find that the effect of multistructural anharmonicity on the partition functions usually increases with temperature, and it can change the calculated reaction rates by factors as small as 0.2 and as large as 4.2. We also find a large effect of anharmonicity on the zero-point energies of the transition states for the abstraction reactions. We report that abstraction of H from methyl should not be neglected in atmospheric chemistry, even though the low-temperature results are dominated by addition. We calculated the product distribution, which is usually not accessible to experiments, as a function of temperature and pressure.

Objective To study the effect of trigonelline on the change of indicators of serum transaminase, lipoprotein and liver lipid of model rats with non-alcoholic fatty liver diseases and on the expression level of Bcl-2 and Bax proteins. Methods A total of 45 SD rats were randomly divided into the control group, model group and trigonelline intervention group. Rats in the control group were fed with the common diet, while rats in the model group and intervention group were fed with the high fat diet. 8 weeks later, the intervention group received the intragastric administration of trigonellin e (with the dosage of 40 mg/kg/d) for 8 weeks; while control group and model group received the intragastric administration of saline with the equal dosage. Blood was taken from the abdominal aorta of rats 8 weeks later, detecting the level of a series of indicators of ALT, AST, TG, TC, HDL-C and LDL-C in the serum. After the rats were sacrificed, detect the indicators of TG, TC, SOD and MDA in the liver tissue of rats, as well as the expression of Bcl-2 and Bax in the liver tissue. Results Results of histopathologic examination showed that the damage degree of liver for rats in the trigonelline intervention group was smaller than the one in the model group, with significantly reduced hepatic steatosis and the partially visible hepatic lobule. The levels of ALT, AST, TC and LDL-C in the serum of rats in the trigonelline group were significantly reduced, while the change in the levels of TG and HDL-C was not significantly different. The levels of TG, TC and MDA in the liver tissues were significantly decreased, while the level of SOD significantly increased; the expression of Bcl-2 protein in the liver tissues of rats in the trigonelline intervention group was significantly increased, while the expression of Bax protein significantly decreased. Conclusions The trigonelline contributes to the therapeutic effect of non-alcoholic fatty liver diseases. It can also increase the expression of Bcl-2 protein and decrease the expression of Bax protein in the liver tissues, which can protect the liver.

In China, the woolly apple aphid, Eriosoma lanigerum (Hausmann), was first detected as an invasive species during the 1910s to 1930s, restricted to Shandong, Liaoning, and Yunnan Provinces. However, since the 1990s, the pest has spread into many other areas of China. To determine the possible spread routes of the recently established populations, the genetic diversity and genetic structure of 24 populations in 10 provinces were analyzed using eight microsatellite loci. Analyses using STRUCTURE software identified two genetic clusters overall. Three populations from Yunnan and Xinjiang consisted of individuals originating from a single cluster. Nineteen populations from eight northern provinces consisted only of individuals from another cluster, which formed a single large and panmictic population, resembling a distinct "supercolony" in Northern China. The other two populations from Yunnan consisted of individuals from both clusters. The possible routes of spread of the recently established populations of E. lanigerum in China were revealed as follows: 1) the populations in Northern China (including these from Henan, Hebei, Shanxi, Shannxi, Jiangsu, and Gansu) may have been introduced from Shandong or Liaoning Provinces; 2) the populations in Yunnan consisted of an early-established population and a population introduced secondarily from Shandong or neighboring areas, indicating that the population in Yunnan has at least two sources; and 3) the recently established populations of E. lanigerum in Xinjiang might not have been introduced from the "supercolony" in Northern China. Knowledge of these routes of spread is useful for avoiding further dissemination and/or additional introductions.

Background. Common cold is one of the most frequently occurring illnesses in primary healthcare services and represents considerable disease burden. Common cold of Qi-deficiency syndrome (CCQDS) is an important but less addressed traditional Chinese medicine (TCM) pattern. We designed a protocol to explore the efficacy, safety, and optimal dose of Shen Guo Lao Nian Granule (SGLNG) for treating CCQDS. Methods/Design. This is a multicenter, randomized, double-blind, placebo-controlled, phase II clinical trial. A total of 240 eligible patients will be recruited from five centers. Patients are randomly assigned to high-dose group, middle-dose group, low-dose group, or control group in a 1 : 1 : 1 : 1 ratio. All drugs are required to be taken 3 times daily for 5 days with a 5-day follow-up period. Primary outcomes are duration of all symptoms, total score reduction on Jackson’s scale, and TCM symptoms scale. Secondary outcomes include every single TCM symptom duration and score reduction, TCM main symptoms disappearance rate, curative effects, and comparison between Jackson’s scale and TCM symptom scale. Ethics and Trial Registration. This study protocol was approved by the Ethics Committee of Clinical Trials and Biomedicine of West China Hospital of Sichuan University (number IRB-2014-12) and registered with the Chinese Clinical Trial Registry (ChiCTR-IPR-15006349).

Our prior research revealed that there are 2 mitochondrial clades of Aphelinus mali (Haldeman) (Hymenoptera: Aphelinidae) in China, which are known as SD clade and LN clade. To further reveal their genetic characteristics and to determine the degrees of hybridization and gene flow between the 2 clades of A. mali in China, we analyzed the genetic diversities and genetic structures of 16 populations from 6 provinces (Shandong, Liaoning, Hebei, Shanxi, Xinjiang, and Yunnan) using 8 micro satellite loci. Our results showed that among the pure populations in the SD and LN clades, the greatest genetic diversities were found in the Qingdao, Shandong (QD) population and in the Dalian, Liaoning (DL) population. QD was the first population of the SD clade to be established, and DL was the first population of the LN clade to be established. In addition, genetic diversity was not substantially lower - and in some cases it was greater - in mixed-clade populations than in QD and DL. Individuals within each mit...

In China, Aphelinus mali (Haldeman) (Hymenoptera: Aphelinidae) was independently introduced as an endoparasitoid of the woolly apple aphid, Eriosoma lanigerum (Hausmann) (Hemiptera: Aphididae) from Japan in 1942 and from the former Soviet Union during 1953–1955. However, we do not know which introduction of this endoparasitoid plays important role in the control of E. lanigerum in China. To determine the status of this biological control agent in China, we collected 16 populations from 6 provinces (Shandong, Liaoning, Hebei, Shanxi, Xinjiang and Yunnan) and analyzed the 948 mtCOI gene from specimens in these samples. The results revealed that the A. mali in China consisted of 2 cryptic mitochondrial clades including 3 haplotypes, which indicated at least 2 independent introductions of the parasitoid into China. Our results showed that each of the populations that had been introduced into Shandong and Liaoning, respectively, had also established in many regions of China , where they play an import...

β-catenin is a key protein that is encoded by the CTNNB1 gene in the Wnt signaling pathway. This study investigated the associations between β-catenin expression and implications for the efficacy of gemcitabine on pancreatic cancer cells in a three-dimensional (3-D) cancer microenvironment. For low β-catenin expression pancreatic carcinoma cells, the inhibition rates (IRs) for low, middle, and high doses of gemcitabine were 0.615 ± 0.079, 0.691 ± 0.093, and 0.765 ± 0.061, respectively. For the high β-catenin expression pancreatic carcinoma cells, the IRs for the same doses were 0.325 ± 0.072, 0.453 ± 0.075, and 0.537 ± 0.056, respectively. Additionally, the evaluation of β-catenin immunoreactivity in 31 pancreatic cancer patients revealed that the low β-catenin protein expression group had significantly longer overall survival (OS) and disease free survival (DFS) than the high β-catenin protein group (P < 0.05). Overall, β-catenin protein expression levels were significantly correlated to gemcitabine sensitivity in seven pancreatic carcinoma cell lines in the 3-D cancer microenvironment. These data suggest that large-scale clinical studies are warranted to assess the role of the Wnt/β-catenin signaling pathway on β-catenin protein expression and chemosensitivity to gemcitabine in pancreatic cancer.

A novel electrochemical flow sensing system for determination of heavy metals in seawater is described in this paper. Processes including on-line filtration, UV digestion, electrochemical enrichment, and ion-selective electrode potentiometric detection are involved in the system for sensitive, selective and rapid detection. For measurements of cadmium, lead and copper ions in seawater matrix, the linear response ranges are 1.0 x 10(-9)-1.0 x 10(-7) M, 3.0 x 10(-9)-1.0 x 10(-7) M and 1.0 x 10(-9)-1.0 x 10(-7) M, respectively with the corresponding detection limits of 2.8 x 10(-10), 6.6 x 10(-10) and 5.1 x 10(-10) M. For six successive measurements, the system showed relative standard deviations of less than 5%. The whole analysis process could be completed within 25 min. The system was applied to determination of heavy metals in seawater and the results agreed with those obtained by stripping voltammetry. With advantages of simplicity, accuracy and low cost, the sensing system offers promising potentials for on-site analysis of heavy metals in seawater.

Aim Soy foods are the major source of isoflavones, which are believed to play important roles in genesis of breast cancer and its progression. We here conducted a prospective study to evaluate the association of soy isoflavone food consumption with breast cancer prognosis. Methods A prospective study was performed from January 2004 and January 2006 in China. Trained interviewers conducted face-to-face interviews using a structured questionnaire to collect information on dietary habits and potential confounding factors. The relative risk [hazard ratio (HR)] and 95% CI were calculated from the Cox regression model for all significant predictors from cancer diagnosis to the endpoint of the study (event). Results After a median follow up of 52.1 months (range, 9-60 months), a total of 79 breast cancer related deaths were recorded in our study, risk being inversely associated with a high intake of soy isoflavone. With an average intake of soy isoflavone above 17.3 mg/day, the mortality of breast cancer can be reduced by about 38-36%. We also found the decreased breast cancer death with high soy protein intake, with a HR (95% CI) of 0.71 (0.52-0.98). Stratified analysis with reference to the ER status, further demonstrated a better prognosis of ER positive breast cancer with a high intake of soy isoflavone (HR 0.59, 0.40-0.93). Conclusion Our study shows the soy food intake is associated with longer survival and low recurrence among breast cancer patients. A cohort study with a larger sample size and long term follow-up is now needed.

This study was designed to determine the therapeutic efficacy and safety of the Shi-cha capsule, a Chinese herbal formula, in the treatment of patients with wind-cold type common cold. In our multi-center, prospective, double-blind, randomized, placebo-controlled, dose-escalation trial, patients with wind-cold type common cold received 0.6 g of Shi-cha capsule plus 0.6 g placebo (group A), 1.2 g of Shi-cha capsule (group B), or 1.2 g placebo (group C), three times daily for 3 days and followed up to 10 days. The primary end point was all symptom duration. The secondary end points were main symptom duration, minor symptom duration, the changes in cumulative symptom score, main symptom score, and minor symptom score 4 days after the treatment, as well as adverse events. A total of 377 patients were recruited and 360 met the inclusive criteria; 120 patients constituted each treatment group. Compared with patients in group C, patients in groups A and B had significant improvement in the all symptom duration, main symptom duration, minor symptom duration, as well as change from baseline of cumulative symptom score, main symptom score, and minor symptom score at day 4. The symptom durations and scores showed slight superiority of group B over group A, although these differences were not statistically significant. There were no differences in adverse events. The Shi-cha capsule is efficacious and safe for the treatment of patients with wind-cold type common cold. Larger trials are required to fully assess the benefits and safety of this treatment for common cold.

miR-410-3p acts as an oncogene or tumor-suppressor gene in various types of cancer. However, its role in breast cancer remains unknown. In the present study, expression of miR-410-3p in 30 breast cancer and paired adjacent normal tissues was detected by RT-qPCR. The expression of miR-410-3p was downregulated in 76.7% of the breast cancer samples. To further validate the expression of miR-410-3p in breast cancer, we analyzed miR-410-3p expression profiling data set from The Cancer Genome Atlas (TCGA) including 683 breast cancer and 87 normal breast tissues. We observed that the expression of miR-410-3p was downregulated in breast cancer tissues. Next, we investigated the influence of miR-410-3p on cell proliferation by transiently transfecting the miR-410-3p mimic or inhibitor, as well as their corresponding controls in the MDA-MB-231 and MCF7 cell lines. miR-410-3p overexpression reduced cell growth, colony formation and the number of EdU-positive cells in the MDA-MB-231 cells. In contrast, inhibition of miR-410-3p in the MCF7 cells resulted in a higher proliferation rate as assessed by MTT assay, plate colony formation and EdU assays. Furthermore, miR-410-3p inhibited epithelial-mesenchymal transition. In addition, Snail was found to be a direct target of miR-410-3p based on a luciferase assay. Overexpression of Snail was able to rescue the effect of miR-410-3p in breast cancer cells. Moreover, miR‑410-3p was inversely expressed with Snail in breast cancer samples. Our data provide new knowledge regarding the role of miR-410-3p in breast cancer progression.

Objective The objective was to analyze the correlation of dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI) with vascular endothelial growth factor (VEGF) protein expression and to assess the potential application of DCE-MRI to the rabbit cerebrospinal fluid (CSF) metastasis model. Methods Thirty New Zealand rabbits were divided into experimental and control groups. In the experimental group, VX2 tumor cells were injected into the subarachnoid space at the plane of cisterna magna in 24 rabbits. In the control group, physiological saline was injected into the subarachnoid space at the plane of cisterna magna in six rabbits. DCE-MRI was performed at multiple time points, and several pharmacokinetic parameters, including Ktrans, Kep and Ve, were calculated. Also, VEGF levels in plasma and CSF were evaluated by enzyme-linked immunosorbent assay prior to DCE-MRI examination. After DCE-MRI examination, the rabbits were sacrificed, and the corresponding tumor specimens were harvested. Hematoxylin–eosin staining and VEGF immunohistochemical staining were carried out, and VEGF expression in the specimens was evaluated by the immunohistochemical scoring system. Results Vascular endothelial growth factor positive staining was localized in the cytoplasm and cell membranes of tumor cells, as well as in a subset of epithelial cells. Both VEGF immunohistochemical scores and VEGF expression in CSF and plasma exhibited positive correlations with Ktrans and Kep values as demonstrated by rank correlation statistical analysis. Conclusions Vascular endothelial growth factor expression in plasma and CSF in the CSF metastasis model was higher than in normal tissues. Therefore, DCE-MRI reliably indicated VEGF expression in the rabbit CSF metastasis model.

A novel potentiometric detection strategy based on functionalized magnetic nanoparticles has been developed for rapid and sensitive sensing of polyions. Highly dispersed magnetic nanoparticles coated with ion exchanger and plasticizer could promote an in situ cooperative ion-pairing interaction between the ion exchanger and the polyion analyte in sample solution by dramatically reducing the mass-transfer distance. With applying a magnetic field, the nanoparticles can be attached to the surface of ion exchanger free polymeric membrane. The observed potential signals are related to the polyion concentrations. The proposed polymeric membrane electrode exhibits a linear relationship between the greatest potential response slope (dE/dt) and the logarithm of protamine concentration in the range of 0.05-5 mu g/mLwith a lower detection limit of 0.033 mu g/mL. (C) 2010 Wei Qin. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

Summary Objective To investigate the efficacy and safety of Antiwei, a traditional Chinese prescription, in the treatment of influenza. Methods In a multi-center, randomized, double-blind, placebo-controlled trial, we recruited 480 adults aged 18 to 65 years within 36 h of onset of influenza-like symptoms. There were 225 patients with confirmed influenza. Eligible patients were randomly assigned 6 g of Antiwei (n = 360) or placebo (n = 120) twice daily for three days. All patients recorded their temperature and symptoms on diary cards during treatment. Analyses were performed in both the influenza-like population and the influenza-confirmed population. Results Antiwei increased patients’ recovery by 17% (P

Background and Aim: Functional constipation is a common functional bowel disorder for which there is no reliable medical treatment. This study was designed to determine the therapeutic efficacy and safety of the Yun-chang capsule, a Chinese herbal formula, in the treatment of patients with functional constipation. Methods: In our multi-center, prospective, double-blind, randomized, placebo-controlled, dose-escalation trial, patients with functional constipation received 70 mg of Yun-chang capsule plus 35 mg placebo (group A), 105 mg of Yun-chang capsule (group B), or 105 mg placebo (group C), three times daily for 2 weeks. The primary end-points were the changes in main symptom score and cumulative symptom score 2 weeks after the treatment. The secondary end-points were adverse events. Results: A total of 140 patients were recruited and 132 met the inclusion criteria; 44 patients constituted each of the three treatment groups. Compared with patients in group C, patients in groups A and B had significant improvement in the main symptom score, cumulative symptom score, the change from baseline of the main symptom score, and the change from baseline of the cumulative symptom score at week 1 and week 2. The scores showed slight superiority of group B over group A at week 1 and week 2, although these differences were not statistically significant. There were no differences in adverse events. Conclusions: The Yun-chang capsule is efficacious and safe for the treatment of patients with functional constipation. Larger and longer-term trials are required to fully assess the benefits and safety of this treatment for functional constipation.

Background Although there are some Chinese herbal medicines in treatment of constipation, but no multi-center randomized controlled trials have been carried out to prove their effectiveness. Objective To evaluate the safety and efficacy of Yunchang Capsule in treatment of functional constipation with deficiency of both qi and yin and internal accumulation of poisonous pathogenic factors syndrome, and to explore the clinical dosage. Design, setting, participants and interventions A randomized, double-blinded controlled, multicenter trial was conducted. A total of 240 patients with functional constipation from West China Hospital of Sichuan University, Affiliated Hospital of Chengdu University of Traditional Chinese Medicine, Affiliated Hospital of Jiangxi University of Traditional Chinese Medicine, the First Affiliated Hospital of Tianjing University of Traditional Chinese Medicine and Fujian Academy of Traditional Chinese Medicine were randomly divided into three groups: low dose group (80 cases), high dose group (80 cases) and control group (80 cases). Patients in the low dose group were treated with two pills (0.35 g/pill) of Yunchang Capsule and one pill of Yunchang Capsule simulant for three times daily; patients in the high dose group were treated with three pills (0.35 g/pill) of Yunchang Capsule for three times daily; and patients in the control group were treated with three pills (0.35 g/pill) of Biantong Capsule for three times daily. The therapeutic course was 14 days. Main outcome measures Clinical symptoms, syndromes, and adverse effects were observed before and after the treatment, and blood, urine and stool tests, hepatorenal function and electrocardiogram were also examined. Results Two cases were excluded, eleven cases were lost to follow-up, and there were 234 patients entered to intention-to-treat (ITT) analysis. After the treatment, the therapeutic effects were calculated by full analysis set (FAS) and per-protocol population set (PPS) analysis respectively. The effects on functional constipation in FAS showed the response rates in the low dose, high dose and control groups were 86.25% (69/80), 82.90% (63/76), and 70.52% (55/78) respectively, and PPS analysis showed the response rates were 85.71% (66/77), 83.56% (61/73), and 70.13% (54/77) respectively. There were no significant differences among the three groups (P>0.05). The effects on traditional Chinese medicine syndrome in FAS showed the response rates in the low dose, high dose and control groups were 78.75% (63/80), 69.74% (53/76), and 67.95% (53/78) respectively, and PPS analysis showed the response rates were 77.92% (60/77), 69.87%(51/73), and 67.53% (52/77) respectively. There were also no significant differences among the three groups (P>0.05). No severe adverse events were observed. Conclusion Both low dose and high dose of Yunchang Capsule are effective and safe in treatment of functional constipation with deficiency of both qi and yin and internal accumulation of poisonous pathogenic factors syndrome.

OBJECTIVE To evaluate the efficacy and safety of Dinggui Oil Capsule in treating irritable bowel syndrome (IBS) with stagnation of qi and cold. METHODS A prospective, randomized, placebo-controlled, double-blind clinical study was undertaken. One hundred and ninety-eight patients with IBS and syndrome of stagnation of qi and cold were randomly divided into high-dose Dinggui Oil group (DGO-H, 1.2 g, 3 times daily; n=66), low-dose Dinggui Oil group (DGO-L, 0.8 g, 3 times daily, n=66), and placebo group (placebo, 5.0 g, 3 times daily, n=66). Patients in the three groups were all treated for 2 weeks. RESULTS The total significant effective rates for IBS were 54.1%, 28.8% and 21.9% in the DGO-H, DGO-L, and placebo groups, and the total effective rates for the syndrome of stagnation of qi and cold were 54.1%, 25.8% and 23.4% in the three groups, respectively. Dinggui Oil Capsule showed a higher efficacy than the placebo in relieving the abdominal pain (P

Objective To evaluate the safety and efficacy of Chaige Qingre Granule, a traditional Chinese compound herbal medicine, in treating acute upper respiratory tract infection of wind heat syndrome. Methods A multi-center, double-blinded, randomized controlled trial was conducted. In the phase II, 60 patients with acute upper respiratory tract infection were randomly divided into the trial group (n=30) and the control group (n=30). In the phase III, 112 patients were randomly divided into the trial group (n=84) and the control group (n=28). The trial group received 6 g Chaige Qingre Granule, and the control group received 6 g Fufang Shuanghua Granule (another traditional Chinese compound herbal medicine). The two groups were all treated for 3 days and four times daily. Clinical symptoms, syndromes, adverse effect, blood, urine and stool test, hepatorenal function and electrocardiogram were examined before and after the treatment. Results After treatment, the overall obvious response rates of the trial group and the control group were 78.57%, 82.14% (by per-protocol analysis) and 75.86%, 79.31% (by intention-to-treat analysis) respectively, and the overall response rates of the two groups were 96.43%, 100% (by per-protocol analysis) and 93.10%, 96.55% (by intention-to-treat analysis) respectively in phase II. There were no significant differences between the two groups (P>0.05). In the phase III, the overall obvious response rates of the trial group and the control group were 90.54%, 73.08% (by per-protocol analysis) and 88.16%, 70.37% (by intention-to-treat analysis) respectively, and the overall response rates of the two groups were 94.59%, 96.15% (by per-protocol analysis) and 92.11%, 92.59% (by intention-to-treat analysis) respectively. There were no statistical differences between the two groups (P>0.05) too. No adverse effects were found in the trial. Conclusion Chaige Qingre Granule is effective and safe in treating acute upper respiratory tract infection of wind heat syndrome.

Objective To evaluate the effect and safety of Pingchuan Yiqi Granule (平喘益气颗粒, PYG) in treating bronchial asthma of qi-deficiency cold syndrome type (BS-QDC).

OBJECTIVE To evaluate the safety and efficacy of Yiqi Pingchuan Granule in treating acute attack of asthma due to qi deficiency and cold syndrome. METHODS A randomized controlled trial was conducted. A total of 80 patients with an acute attack of asthma were included. They were allocated into two groups randomly in a ratio of three to one. Sixty patients in the treatment group received Yiqi Pingchuan Granule and 20 patients in the control group received Ruyi Dingchuan Pill. Patients in both groups were treated for 7 days. RESULTS There were no significant differences in traditional Chinese medicine syndrome, clinical symptoms and lung function between the two groups (P>0.05). After treatment, the forced expiratory volume in 1 second was increased in the treatment group (P

Postinfectious cough (PIC) is a common condition that affects millions of people worldwide every year. There is Western medicine for this condition but the treatment effect is often incomplete. Traditional Chinese medicine (TCM) has been increasingly prescribed for patients with PIC. Preliminary trials on Qing-Feng-Gan-Ke-Granules (QFGKG) conveyed promising results in treating PIC. This protocol describes an ongoing phase III randomized controlled clinical trial, designed according to a novel methodology of “one study, one primary outcome”, with the objective of evaluating the efficacy and safety of QFGKG in patients suffering from PIC. This is a multicenter, phase III, randomized, double-blind, parallel-group, placebo-controlled clinical trial, comprising two simultaneously conducted study parts, part A and part B, intending to investigate two primary outcomes, i.e. time to cough resolution and cough symptom score, respectively. A total of 480 patients, aged 18 to 65 years, who complain of an ongoing persistent cough that has been lasting ≥3 weeks, will be recruited from six participating sites and then randomized to receive QFGKG 12.0 g twice daily or placebo 12.0 g twice daily. Each part will enroll 240 patients, with 180 patients being allocated to the QFGKG group and 60 to the placebo group. Although traditional Chinese medicine is a structured intervention that has shown some promise in treating persistent cough, existing unconvincing evidence has noted limitations. This is a rare well-designed and rigorously-controlled, randomized, double-blind trial to evaluate the effects and safety of a Chinese herbal medicine in patients with postinfectious cough, providing tangible benefits for clinical research. Results of this trial are inclined to be conjectured as more truthful by implementing separate study parts that specifically estimate exclusive primary outcome. It will not only provide robust clinical evidence on the efficacy and safety of QFGKG for postinfectious cough, but will also provide a critical piece of information on the availability and superiority of a novel methodology for future clinical trials. The current trial is ongoing with recruitment of the predetermined number of patients being in progress. The two parts of this trial were separately registered with the Chinese Clinical Trial Registry: ChiCTR-TRC-13003278 (part A); and ChiCTR-TRC-13003337 (part B).

Nearly all previous studies in posterior tibial slope (PTS) and anterior cruciate ligament (ACL) injuries ignored age-related changes, and the published data are inconsistent. The objective of this study was to reveal age-related changes of PTS and its roles in ACL injury. Data for 2618 lower limbs were included initially based on the availability of lateral X-rays and a suitable femorotibial angle. The final 1431 subjects were analyzed according to age, sex, side, and injury status. Student t-tests, 1-way analysis of variance, and curve fitting were used to analyze data. The PTS in males was greater than that in females in the 0–9 and 30–39-year-old groups, but this pattern was reversed in the 40–49, 60–69, 70–79, and 80–89-year-old groups. The PTS was greater on the left side than on the right side in the 0–9, 10–19, 50–59, 60–69, and 80–89-year-old groups. The curve fitting for PTS demonstrated a trend of first decreasing and then increasing with aging. The PTS values differed significantly between knees with an ACL injury and those without in the 20–29, 30–39, and 40–49-year-old groups but not in the 50–59-year-old group. The PTS follows a trend of first decreasing and then increasing, and its role in ACL injury changes with advancing age. The higher PTS is only unrelated to the risk of ACL injury in age groups with a lower mean PTS value.

Background Postinfectious cough (PIC) significantly affects cough-related quality of life but still lacks effective treatments. This study aims to investigate the efficacy of QingfengGanke granule (QFGKG) in treating PIC induced by pathogenic wind invading lungs syndrome. Methods A multicenter, randomized, double-blind, placebo-controlled clinical trial was conducted. A total of 180 eligible participants were randomly (1:1:1) assigned to group A (QFGKG 6 g plus QFGKG-matched placebo 6 g), group B (QFGKG 12 g), and group C (QFGKG-matched placebo 12 g). All herbal medications were orally administered twice daily for 10 consecutive days. The primary outcome was time to cough resolution, and secondary outcomes included time to cough alleviation, mean changes in cough symptom score (CSS), visual analogue scale (VAS) score, cough-specific quality of life questionnaire (CQLQ) score, and traditional Chinese medicine (TCM) syndrome score from baseline to Day 10, as well as adverse events. Results A total of 173 participants were included in the efficacy and safety analyses (group A, n = 57; group B, n = 57; group C, n = 59). The median time to cough resolution in groups A, B, and C was more than 10 days, 8 days, and more than 10 days, respectively (P

Though the greenhouse whitefly, Trialeurodes vaporariorum (Westwood) (Hemiptera: Aleyrodidae) was introduced into China more than 60 years ago, the genetic diversity and structure of this exotic insect pest and virus vector have not been studied. To investigate the population genetic characteristics of this invasive species and to identify potential invasion routes, the genetic diversity and population structure of 17 collections of T. vaporariorum from nine provinces in China were analyzed using seven microsatellite loci. The results of the analyses indicated that the genetic diversity for the populations examined from the four provinces: Jilin, Ningxia, Guizhou and Qinghai, was lower than the genetic diversity of populations from the five provinces: Yunnan, Shandong, Shanxi, Liaoning, and Gansu. The T. vaporariorum populations analyzed in this study grouped as two distinct genetic clusters based on the analysis using STRUCTURE, whereas, 8 clusters were identified based on the BAPS analysis. Of the 136 genetic distance (Fst) values, 128 (94%) were associated with a significant exact test. However, there was no significant relationship between Fst and geographical distance. These results demonstrate that populations of T. vaporariorum in China exhibit significant genetic differentiation, indicating the likelihood that multiple introductions of T. vaporariorum into China have occurred. Also, the populations collected from the provinces of Jilin, Ningxia, Guizhou and Qinghai appear to represent secondary introductions originating from other Chinese provinces.