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1.
J Oleo Sci ; 73(1): 45-53, 2024.
Article in English | MEDLINE | ID: mdl-38171730

ABSTRACT

Hot-pressed rapeseed oils with pleasant flavor, i.e., fragrant rapeseed oils, are favored by consumers, especially people from the southwest provinces of China. Although degumming is an important section in producing edible rapeseed oils, conventional degumming techniques are generally suffered from disadvantages such as moisture control, and large losses of micronutrients and flavors. In the present paper, hot-pressed rapeseed oils were treated with silica hydrogel to remove their gums, and changes in phospholipids, acid values, peroxide values, tocopherols, total phenols, and flavor compounds were analyzed to compare the silica hydrogel-degumming with conventional methods. The optimized conditions were suggested to be carried out at 45°C for 15 min, and the silica hydrogel dosage was 1.10%. More than 97.00% of phospholipids were removed after the degumming, and more than 85.00% of micronutrients, were retained in the treated oils. The degumming efficiency was therefore significantly higher than those operated by conventional acid degumming and soft degumming techniques. It was found that the dosage of the silica hydrogel significantly affected the removal rate of phospholipids compared with degumming time and temperature. There were nearly typical volatile compounds found in the rapeseed oils, while most of them kept almost stable after the silica hydrogel-degumming. In this regard, silica hydrogel adsorption exhibited little effect on volatile compounds, making it more suitable for the production of fragrant rapeseed oils.


Subject(s)
Hydrogels , Tocopherols , Humans , Rapeseed Oil , Temperature , Micronutrients , Plant Oils
2.
Food Chem ; 439: 138116, 2024 May 01.
Article in English | MEDLINE | ID: mdl-38064830

ABSTRACT

The strong-fragrant rapeseed oil (SFRO) is a popular rapeseed oil in China with a low refining degree only degumming with hot water, which remarkably affects its storage stability. The present study compared the overall changes of physical/chemical/nutrient quality of FROs at various temperatures, light wavelengths and headspace volumes. Results showed that red light (680 nm) had a most significant adverse effect on the overall quality of SFRO with the higher correlation coefficients to PV and TOTOX of 0.71 and 0.70, and lower correlation coefficients to chlorophyll and tocopherol of -0.95 and -0.53, respectively. Further studies revealed that red light accelerated the oxidation of fragrant rapeseed oils by degrading chlorophyll to initiate the photo-oxidation process and synthesize high amount of secondary oxidation products including aliphatic and aromatic oxidized compounds from linolenic acid. These findings provided a reference to control the deterioration of FROs by preventing the transmittance of red light.


Subject(s)
Brassica napus , Rapeseed Oil , Oxidation-Reduction , Tocopherols , Chlorophyll , Plant Oils
3.
Int J Clin Pharmacol Ther ; 61(9): 404-409, 2023 Sep.
Article in English | MEDLINE | ID: mdl-37439522

ABSTRACT

OBJECTIVE: Palindromic rheumatism (PR) is characterized by interstitial inflammation, redness, and pain in joints and periarticular tissues. However, the pathogenesis and treatment of PR remain unknown. Herein, we report on the first use of iguratimod (IGU) - a novel small-molecule compound with anti-inflammatory effects - in the treatment of refractory PR. CASE: A male patient aged 70 years was diagnosed with PR based on medical history, clinical manifestations, and ultrasound findings. The patient was treated with IGU (25 mg PO q.d.). The disease activity was measured by the frequency of PR flares and clinical symptoms. The patient's laboratory tests were monitored for safety reasons. RESULTS: The use of IGU significantly improved pain symptoms and reduced flare frequency. After 28 days of treatment, abnormal levels of glutamic-pyruvic transaminase were observed. One month after discontinuation of IGU, flares occurred in the patient's second toe of both feet. CONCLUSION: IGU provides a new treatment option for patients with refractory PR who cannot use hydroxychloroquine. The effective treatment with IGU suggests the potential pathogenesis of PR and provides a basis for physicians to choose a new drug for PR treatment.


Subject(s)
Antirheumatic Agents , Arthritis, Rheumatoid , Humans , Male , Antirheumatic Agents/therapeutic use , Arthritis, Rheumatoid/drug therapy , Pain/chemically induced
4.
Ecotoxicol Environ Saf ; 262: 115175, 2023 Jun 26.
Article in English | MEDLINE | ID: mdl-37379666

ABSTRACT

The occurrence of antibiotics in agricultural soils has raised concerns due to their potential risks to ecosystems and human health. However, a comprehensive understanding of antibiotic accumulation, distribution, and potential risks to terrestrial ecosystems on a global scale is still limited. Therefore, in this study, we evaluated the accumulation of antibiotics and their potential risks to soil microorganisms and plants, and highlighted the driving factors of antibiotic accumulation in agricultural soils based on 134 peer-reviewed studies (between 2000 and 2022). The results indicated that 56 types of antibiotics were detected at least once in agricultural soils with concentrations ranging from undetectable to over 7000 µg/kg. Doxycycline, tylosin, sulfamethoxazole, and enrofloxacin, belonging to the tetracyclines, macrolides, sulfonamides, and fluoroquinolones, respectively, were the most accumulated antibiotics in agricultural soil. The accumulation of TCs, SAs, and FQs was found to pose greater risks to soil microorganisms (average at 29.3%, 15.4%, and 21.8%) and plants (42.4%, 26.0%, and 38.7%) than other antibiotics. East China was identified as a hot spot for antibiotic contamination due to high levels of antibiotic concentration and ecological risk to soil microorganisms and plants. Antibiotic accumulation was found to be higher in vegetable fields (245.5 µg/kg) and orchards (212.4 µg/kg) compared to croplands (137.2 µg/kg). Furthermore, direct land application of manure resulted in a greater accumulation of TCs, SAs, and FQs accumulation in soils than compost fertilization. The level of antibiotics decreased with increasing soil pH and organic matter content, attributed to decreasing adsorption and enhancing degradation of antibiotics. In conclusion, this study highlights the need for further research on the impacts of antibiotics on soil ecological function in agricultural fields and their interaction mechanisms. Additionally, a whole-chain approach, consisting of antibiotic consumption reduction, manure management strategies, and remediation technology for soil contaminated with antibiotics, is needed to eliminate the potential environmental risks of antibiotics for sustainable and green agriculture.

5.
Langmuir ; 39(11): 3951-3966, 2023 Mar 21.
Article in English | MEDLINE | ID: mdl-36877867

ABSTRACT

It is of great significance to study shale apparent permeability under the action of multiple flow mechanisms and factors because shale reservoirs possess complex pore structures and flow mechanisms. In this study, the confinement effect was considered, with the thermodynamic properties of gas being modified, and the law relating to the conservation of energy adopted to characterize bulk gas transport velocity. On this basis, the dynamic change of pore size was assessed, from which shale apparent permeability model was derived. The new model was verified by three steps: experimental and molecular simulation results of rarefied gas transport, shale laboratory data, and comparison with different models. The results revealed that, under the conditions of low pressure and small pore size, the microscale effects became obvious, which significantly improved gas permeability. Through comparisons, the effects of surface diffusion and matrix shrinkage, including the real gas effect, were obvious in the smaller pore sizes; nevertheless, the stress sensitivity effect was stronger in larger pore sizes. In addition, shale apparent permeability and pore size decreased with an increase in permeability material constant and increased with increasing porosity material constant, including internal swelling coefficient. The permeability material constant had the greatest effect on gas transport behavior in nanopores, followed by the porosity material constant; however, the internal swelling coefficient had the least effect. The results of this paper will be important for the prediction and numerical simulation of apparent permeability relating to shale reservoirs.

6.
Huan Jing Ke Xue ; 44(3): 1611-1619, 2023 Mar 08.
Article in Chinese | MEDLINE | ID: mdl-36922222

ABSTRACT

To explore the pollution characteristics, ecological risks, and sources of heavy metals, soil surface samples of vegetable fields in 14 typical districts of the Three Gorges Reservoir area (Chongqing section) were collected in October 2021. The contents of seven types of heavy metals (As, Cd, Cr, Cu, Ni, Pb, and Zn) were analyzed. Based on the single-factor pollution index, the Nemerow integrated pollution index and potential ecological risk coefficient of heavy metals were evaluated. Additionally, the effects of different planting years and methods (open-field and greenhouse planting) on soil heavy metal accumulation were analyzed. The results indicated that the mean concentrations of heavy metals in vegetable soils in the area were lower than the national risk screening values for soil contamination of agricultural land (GB 15618-2018) but higher than their background values in Chongqing. According to the single-factor pollution index method, Pb, Zn, Cu, and Cd showed negligible slight hazards. The Nemerow pollution index showed that the study area was at a slight hazard level, and the main factors were Ni and Cd. Heavy metal pollution was found in 91.4% of the soil samples (PN>1) with different degrees, and 9.19% of them were severely polluted. The potential ecological risk coefficient showed that the vegetable lands were polluted slightly, and 9.77% of soil samples polluted by Cd were at moderate ecological risk. According to cluster analysis, the sources of Cd-Cu-Pb-Zn and As-Cr-Ni were similar. The content of heavy metals in the open field and greenhouse showed an increasing trend with the increase in planting years, and the content of heavy metals in greenhouse soil were generally higher than that in open field soil.

7.
Sci Total Environ ; 862: 160787, 2023 Mar 01.
Article in English | MEDLINE | ID: mdl-36502991

ABSTRACT

Carbon neutrality is now receiving global concerns for the sustainable development of human societies, of which how to reduce greenhouse gases (GHGs) emissions and enhance carbon conservation and sequestration becomes increasingly critical. Therefore, this study conducted a meta-analysis and literature review to assess carbon loss and to explore the main factors that impact carbon loss during organic solid waste (OSW) composting. The results indicated that over 40 % of carbon was lost through composting, mainly as CO2-C and merely as CH4-C. Experimental scale, feedstock varieties, composting systems, etc., all impacted the carbon loss, and there was generally higher carbon loss under optimal conditions (i.e., C/N ratio (15-25), pH (6.5-7.5), moisture content (65-75 %)). Most mitigation strategies in conventional composting (CC) systems (e.g., additive supplementary, feedstock adjustment, and optimized aeration, etc.) barely mediated the TC and CO2-C loss but dramatically reduced the emission of CH4-C through composting. Among them, feedstock adjustment by elevating the feedstock C/N ratio effectively reduced the TC loss, and chemical additives facilitated the conservation of both carbon and nitrogen. By comparison, there was generally higher carbon loss in the novel composting systems (e.g. hyperthermophilic and electric field enhanced composting, etc.). However, the impacts of different mitigation strategies and novel composting systems on carbon loss reduction through composting were probably underestimated for the inappropriate evaluation methods (composting period-dependent instead of maturity originated). Therefore, further studies are needed to explore carbon transformation through composting, to establish methods and standards for carbon loss evaluation, and to develop novel techniques and systems for enhanced carbon conservation through composting. Overall, the results of this study could provide a reference for carbon-friendly composting for future OSW management under the background of global carbon neutrality.


Subject(s)
Carbon , Composting , Humans , Carbon/analysis , Composting/methods , Solid Waste/analysis , Carbon Dioxide/analysis , Nitrogen/analysis , Soil , Methane/analysis
8.
Huan Jing Ke Xue ; 43(11): 5244-5252, 2022 Nov 08.
Article in Chinese | MEDLINE | ID: mdl-36437096

ABSTRACT

The accumulation of antibiotics in farmland and its ecological risk have become a research hotspot at home and abroad. The objective of this study was to investigate the occurrence and accumulation of antibiotics and their potential environmental and ecological risks in vegetable fields in Kaizhou district of Chongqing country. The occurrence characteristics of antibiotics including tetracyclines, sulfonamides, quinolones, macrolides, and chloramphenicols were detected using experimental analysis. The results showed that there was an accumulation of antibiotics in the vegetable soil, and 18 antibiotics in five categories were detected (0-42.88 µg·kg-1), mainly for tetracyclines and quinolones. The detection rate of quinolone antibiotics was the highest (15.38%-100%), especially for norfloxacin and ofloxacin (100%), whereas the tetracyclines presented the highest concentration (0-42.88 µg·kg-1). The amount of total antibiotics in the vegetable soil was 1.64-233.11 µg·kg-1, whereas different vegetable soils showed the following trend:water spinach soil (89.73 µg·kg-1)>cabbage soil (32.53 µg·kg-1)>pepper soil (32.16 µg·kg-1)>tomato soil (32.13 µg·kg-1)>cucumber soil (26.46 µg·kg-1)>grassland (7.32 µg·kg-1). The correlation results showed that there was a significantly positive correlation between total antibiotic residues and organic fertilizer application (P<0.05) but a significantly negative correlation with soil pH (P<0.05). Quinolones and sulfonamides were negatively correlated with soil water content (P<0.05), whereas quinolones positively correlated with soil available phosphorus and organic matter content (P<0.05). The potential eco-environmental risk assessment results showed that tetracyclines and quinolones in vegetable soil in Kaizhou district had certain ecological risks, of which 62%-92% and 62%-100% of soil samples with quinolones had potential toxicity to soil animals and microorganisms.


Subject(s)
Quinolones , Soil Pollutants , Animals , Vegetables , Anti-Bacterial Agents/analysis , Soil Pollutants/analysis , Soil/chemistry , Tetracyclines/analysis , Quinolones/analysis , Risk Assessment , Sulfonamides , Sulfanilamide
9.
Cancer Manag Res ; 13: 7783-7793, 2021.
Article in English | MEDLINE | ID: mdl-34675673

ABSTRACT

PURPOSE: Clinical responses of neoadjuvant chemotherapy (NACT) are associated with prognosis in patients with breast cancer. The selection of suitable variables for the prediction of clinical responses remains controversial. Herein, we developed a predictive model based on ultrasound imaging and clinical indices to identify patients most likely to benefit from NACT. PATIENTS AND METHODS: We recruited a total of 225 consecutive patients who underwent NACT followed by surgery and axillary lymph node dissection at the Sixth Hospital of Ning Bo City of Zhe Jiang Province between January 1, 2018, and March 31, 2021. All patients had been diagnosed with breast cancer following the clinical examination. First, we created a training cohort of patients who underwent NACT+surgery (N=180) to develop a nomogram. We then validated the performance of the nomogram in a validation cohort of patients who underwent NACT+ surgery (N=45). Multivariate logistic regression was then used to identify independent risk factors that were associated with the response to NACT; these were then incorporated into the nomogram. RESULTS: Multivariate logistic regression analysis identified several significant differences as to clinical responses of NACT, including neutrophil-lymphocyte ratio (NLR), body mass index (BMI), pulsatility index (PI), resistance index (RI), blood flow, Ki67, histological type, molecular subtyping, and tumor size. The performance of the nomogram score exhibited a robust C-index of 0.89 (95% confidence interval [CI]: 0.83 to 0.95) in the training cohort and a high C-index of 0.87 (95% CI: 0.81 to 0.93) in the validation cohort. Clinical impact curves showed that the nomogram had a good predictive ability. CONCLUSION: We successfully established an accurate and optimized nomogram incorporated ultrasound imaging and clinical indices that could be used preoperatively to predict clinical responses of NACT. This model can be used to evaluate the risk of clinical responses to NACT and therefore facilitate the choice of personalized therapy.

10.
Arch Med Res ; 52(3): 304-310, 2021 04.
Article in English | MEDLINE | ID: mdl-33309308

ABSTRACT

BACKGROUND: COVID-19 caused by a novel coronavirus, a severe acute respiratory syndrome coronavirus type 2 (SARS-CoV-2), has recently broken out worldwide. Up to now, the development of vaccine is still in the stage of clinical research, and there is no clinically approved specific antiviral drug for human coronavirus infection. The purpose of this study is to investigate the key molecules involved in response during SARS-CoV-2 infection and provide references for the treatment of SARS-CoV-2. METHODS: We conducted in-depth and comprehensive bioinformatics analysis of human proteins identified with SARS-CoV-2, including functional enrichment analysis, protein interaction network analysis, screening of hub genes, and evaluation of their potential as therapeutic targets. In addition, we used the gene-drug database to search for inhibitors of related biological targets. RESULTS: Several significant pathways, such as PKA, centrosome and transcriptional regulation, may greatly contribute to the development and progression of COVID-2019 disease. Taken together 15 drugs and 18 herb ingredients were screened as potential drugs for viral treatment. Specially, the trans-resveratrol can significantly reduce the expression of N protein of MERS-CoV and inhibit MERS-CoV. In addition, trans-resveratrol, Epigallocatechin-3-gallate (EGCG) and BX795 all show good anti multiple virus effects. CONCLUSION: Some drugs selected through our methods have been proven to have antiviral effects in previous studies. We aim to use global bioinformatics analysis to provide insights to assist in the design of new drugs and provide new choices for clinical treatment.


Subject(s)
Antiviral Agents/pharmacology , COVID-19 Drug Treatment , COVID-19/metabolism , Computational Biology/methods , COVID-19/epidemiology , Drug Evaluation, Preclinical , Humans , Protein Interaction Mapping , SARS-CoV-2/isolation & purification
11.
Biomed Rep ; 8(2): 126-132, 2018 Feb.
Article in English | MEDLINE | ID: mdl-29435270

ABSTRACT

Lung cancer is among the most common malignant tumors worldwide, and is characterized by a low survival rate compared with other cancers. Toll-like receptors (TLRs) are highly conserved in evolution and widely expressed on immune cells, where they serve an important role in the innate immune system by evoking inflammatory responses. Evasion of immune destruction is an important hallmark in the development of cancer. There is an established association between chronic inflammation and cancer, with TLRs serving important roles in the immune response against tumor cells. Recently, TLRs have been identified on tumor cells, where their activation may orchestrate the downstream signaling pathways that serve crucial functions in tumorigenesis and tumor progression. The present review summarizes the roles of TLRs as sensors on lung cancer cells that regulate lung cancer progression with regard to cell growth and invasion, angiogenesis and cancer stem cell behavior. This aimed to provide theoretical support for the development of therapies that target TLR signaling pathways for the treatment of lung cancer.

12.
Opt Express ; 25(5): 5179-5185, 2017 Mar 06.
Article in English | MEDLINE | ID: mdl-28380782

ABSTRACT

A compact dual-wavelength passively Q-switched green laser by intra-cavity frequency doubling of a Yb:YAG/Cr4+:YAG/YAG composite crystal was demonstrated for the first time to our best knowledge. The maximum green laser output power of 1.0 W was obtained under the pump power of 9.7 W, and the corresponding slope efficiency is 15.2%. The shortest pulse width, largest pulse energy, and highest peak power were achieved to be 5.54 ns, 246.1µJ, and 40.76 KW, respectively. Dual-wavelength laser oscillation simultaneously at 515 nm and 524.5 nm has been achieved. This passively Q-switched dual-wavelength green laser can be used as a laser source for Terahertz generation.

13.
Autophagy ; 12(10): 1704-1720, 2016 10 02.
Article in English | MEDLINE | ID: mdl-27463027

ABSTRACT

Different rabies virus (RABV) strains have their own biological characteristics, but little is known about their respective impact on autophagy. Therefore, we evaluated whether attenuated RABV HEP-Flury and wild-type RABV GD-SH-01 strains triggered autophagy. We found that GD-SH-01 infection significantly increased the number of autophagy-like vesicles, the accumulation of enhanced green fluorescent protein (EGFP)-LC3 fluorescence puncta and the conversion of LC3-I to LC3-II, while HEP-Flury was not able to induce this phenomenon. When evaluating autophagic flux, we found that GD-SH-01 infection triggers a complete autophagic response in the human neuroblastoma cell line (SK), while autophagosome fusion with lysosomes was inhibited in a mouse neuroblastoma cell line (NA). In these cells, GD-SH-01 led to apoptosis and mitochondrial dysfunction while triggering autophagy, and apoptosis could be decreased by enhancing autophagy. To further identify the virus constituent causing autophagy, 5 chimeric recombinant viruses carrying single genes of HEP-Flury instead of those of GD-SH-01 were rescued. While the HEP-Flury virus carrying the wild-type matrix protein (M) gene of RABV triggered LC3-I to LC3-II conversion in SK and NA cells, replacement of genes of nucleoprotein (N), phosphoprotein (P) and glycoprotein (G) produced only minor autophagy. But no one single structural protein of GD-SH-01 induced autophagy. Moreover, the AMPK signaling pathway was activated by GD-SH-01 in SK. Therefore, our data provide strong evidence that autophagy is induced by GD-SH-01 and can decrease apoptosis in vitro. Furthermore, the M gene of GD-SH-01 may cooperatively induce autophagy.


Subject(s)
Autophagy , Neuroblastoma/pathology , Neuroblastoma/virology , Rabies virus/physiology , Adenylate Kinase/metabolism , Animals , Apoptosis , Autophagosomes/metabolism , Autophagosomes/ultrastructure , Cell Line, Tumor , Humans , Mice , Mitochondria/pathology , Neuroblastoma/ultrastructure , Rabies/pathology , Rabies/virology , Rabies virus/genetics , Signal Transduction , Transcription, Genetic , Viral Proteins/metabolism , Virus Replication
14.
Org Biomol Chem ; 14(11): 3016-21, 2016 Mar 21.
Article in English | MEDLINE | ID: mdl-26891279

ABSTRACT

A simple and mild protocol for copper catalyzed halogenation of quinoline at C5 and C7 positions was developed, affording the desired remote C-H activation products in moderate to good yields. This reaction proceeds with low-cost sodium halides (NaX, X = Cl, Br, I) and features excellent substrate tolerance. A series of control experiments were carried out to illustrate a single-electron-transfer process which plays a vital role in the halogenation.

15.
Biosens Bioelectron ; 56: 26-32, 2014 Jun 15.
Article in English | MEDLINE | ID: mdl-24462827

ABSTRACT

An electrochemical sensor of acetaminophen (AP) based on electrochemically reduced graphene (ERG) loaded nickel oxides (Ni2O3-NiO) nanoparticles coated onto glassy carbon electrode (ERG/Ni2O3-NiO/GCE) was prepared by a one-step electrodeposition process. The as-prepared electrode was characterized by scanning electron microscopy, X-ray photoelectron spectroscopy and Raman spectroscopy. The electrocatalytic properties of ERG/Ni2O3-NiO modified glassy carbon electrode toward the oxidation of acetaminophen were analyzed via cyclic voltammetry (CV) and differential pulse voltammetry (DPV). The electrodes of Ni2O3-NiO/GCE, ERG/GCE, and Ni2O3-NiO deposited ERG/GCE were fabricated for the comparison and the catalytic mechanism understanding. The studies showed that the one-step prepared ERG/Ni2O3-NiO/GCE displayed the highest electro-catalytic activity, attributing to the synergetic effect derived from the unique composite structure and physical properties of nickel oxides nanoparticles and graphene. The low detection limit of 0.02 µM (S/N=3) with the wide linear detection range from 0.04 µM to 100 µM (R=0.998) was obtained. The resulting sensor was successfully used to detect acetaminophen in commercial pharmaceutical tablets and urine samples.


Subject(s)
Acetaminophen/analysis , Acetaminophen/urine , Analgesics, Non-Narcotic/analysis , Analgesics, Non-Narcotic/urine , Graphite/chemistry , Nanoparticles/chemistry , Nickel/chemistry , Catalysis , Electrochemical Techniques/methods , Electroplating/methods , Humans , Limit of Detection , Nanoparticles/ultrastructure , Oxidation-Reduction
16.
Nanotechnology ; 24(29): 295503, 2013 Jul 26.
Article in English | MEDLINE | ID: mdl-23807200

ABSTRACT

Pt nanoparticles with an average size of 2-3 nm in diameter were reproducibly synthesized by reduction of H2PtCl6 solution containing inositol hexaphosphate (IP6) as the stabilizing agent. Single crystals with Pt(111) faces of the resulting cubic nanoparticles were revealed by the electron diffraction pattern. The PtNPs-IP6 nanoparticles were used to modify an electrode as a nonenzymatic sensor for H2O2 detection, exhibiting a fast response and high sensitivity. A low detection limit of 2.0 × 10⁻7 M (S/N = 3) with two linear ranges between 2.4 × 10⁻7 and 1.3 × 10⁻³ M (R² = 0.9987) and between 1.3 × 10⁻³ and 1.3 × 10⁻² M (R² = 0.9980) was achieved. The attractive electrochemical performance of PtNPs-IP6 enables it to be employed as a promising material for the development of Pt-based analytical systems and other applications.


Subject(s)
Electrochemical Techniques/instrumentation , Hydrogen Peroxide/analysis , Nanoparticles/chemistry , Platinum/chemistry , Limit of Detection , Nanoparticles/ultrastructure , Phytic Acid/chemistry , Reproducibility of Results
17.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 1): o130, 2009 Dec 12.
Article in English | MEDLINE | ID: mdl-21580021

ABSTRACT

The title compound, C(24)H(22)N(2)O(2), was prepared by condensation of 1,2-bis-(4-ethoxy-phen-yl)ethane-1,2-dione and 1,2-diamino-benzene. The asymmetric unit contains one half-mol-ecule, close to a twofold axis. The plane of the quinoxaline ring is twisted with respect to the planes of the two ethoxy-phenyl ring systems, exhibiting dihedral angles of 39.95 (9)°. The crystal packing is dominated by weak C-H⋯π inter-actions. No classical hydrogen bonds or stacking inter-actions are observed.

18.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 6): o1332, 2009 May 20.
Article in English | MEDLINE | ID: mdl-21583186

ABSTRACT

The title compound, C(28)H(28)N(2)O, was prepared by condensation of 1,2-bimethyl-indole and 4-methoxy-benzaldehyde. In the mol-ecular structure, the plane of the non-fused benzene ring is twisted with respect to the planes of the two indole ring systems, exhibiting dihedral angles of 72.04 (7) and 72.24 (7)°, while the planes of the two indole ring systems are oriented at a dihedral angle of 87.05 (5)°. Neither hydrogen bonding nor π-π stacking is observed in the crystal structure.

19.
J Am Chem Soc ; 130(26): 8518-26, 2008 Jul 02.
Article in English | MEDLINE | ID: mdl-18528986

ABSTRACT

Substituent effects have been used to probe the characteristics of the transition state to hydrogenation of alkyl groups on the Pt(111) surface. Eight different alkyl and fluoroalkyl groups have been formed on the Pt(111) surface by dissociative adsorption of their respective alkyl and fluoroalkyl iodides. Coadsorption of hydrogen and alkyl groups, followed by heating of the surface, results in hydrogenation of the alkyl groups to form alkanes, which then desorb into the gas phase. Temperature-programmed reaction spectroscopy was used to measure the barriers to hydrogenation, DeltaE(H)(double dagger), which are dependent on the size of the alkyl group (polarizability) and the degree of fluorination (field effect). This example is one of only two surface reactions for which the influence of the substituents on DeltaE(H)(double dagger) has been correlated with both the field and the polarizability substituent constants of the alkyl groups in the form of a linear free energy relationship. Increasing both the field and the polarizability constants of the alkyl groups increases the value of DeltaE(H)(double dagger). The substituent effects are quantified by a field reaction constant of rho(F) = 27 +/- 4 kJ/mol and a polarizability reaction constant of rho(alpha) = 19 +/- 3 kJ/mol. These suggest that the transition state for hydrogenation is slightly cationic with respect to the alkyl group on the Pt(111) surface, RC + H <--> {RC(delta+)...H}(double dagger).

20.
J Phys Chem B ; 110(19): 9660-6, 2006 May 18.
Article in English | MEDLINE | ID: mdl-16686516

ABSTRACT

The transition state for beta-hydride elimination in alkyl groups on the Pt(111) surface has been probed by studying the effects of fluorine substitution on the barriers to beta-hydride elimination, DeltaE++(betaH). Four different fluoroalkyl groups have been formed on the Pt(111) surface by dissociative adsorption of four fluoroalkyl iodides: RCH(2)CH(2)-I (R = CF(3), CF(3)CH(2), and CF(3)CF(2)) and (CF(3))(2)CHCH(2)-I. In the absence of preadsorbed hydrogen, fluoroalkyl groups on the Pt(111) surface dehydrogenate via beta-hydride elimination to form unsaturated fluorocarbons and deposit hydrogen atoms onto the surface. Those hydrogen atoms then hydrogenate the remaining fluoroalkyl groups to produce fluoroalkanes that desorb rapidly from the surface. The kinetics of hydrogenation and fluoroalkane desorption are rate limited by the beta-hydride elimination step and thus serve as measures of the kinetics of beta-hydride elimination. The field effects of the fluorinated substituents increase the barriers to beta-hydride elimination with a reaction constant of rho(F) = 19 +/- 2 kJ/mol. The interpretation of this effect is that the beta-carbon atom in the transition state is cationic, [RC(delta+...)H]++, with respect to the reactant. The field effect of the fluorinated substituent energetically destabilizes the electron deficient beta-carbon atom in the transition state. This is consistent with observations made on the Cu(111) surface; however, the substituent effect is significantly smaller on the Pt(111) surface. On the Pt(111) surface, the transition state for beta-hydride elimination is less polarized with respect to the initial state alkyl group than on the Cu(111) surface.

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