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Chinese Journal of Structural Chemistry 2011年第1期30卷 111-119页

作者： SAHN Onur BYkgNGR Orhan ALBAYRAK igdem ODABASOGLU Mustafa Department of Physics Faculty of Arts and SciencesOndokuz Mayls University Department of Science Education Sinop University Chemistry Programme Pamukkale University 20159 Denizli

The isomeric structures of（E）-1-[4-（2-hydroxy-5-methoxybenzylideneamino）-phenyl] ethanone（I） and（E）-1-[4-（2-hydroxy-4-methoxybenzylideneamino） phenyl]ethanone（Ⅱ） ,both C16H15NO3,have been determined using X-ray diffraction techniques and characterized by IR,and their molecular structures have also been optimized at the B3LYP/6-31G（d,p） level using density functional theory（DFT） . The energetic behaviors of the title compounds in solvent media have been examined using B3LYP method with the 6-31G（d,p） basis set by applying the polarizable continuum model（PCM） . The total energies of the title compounds decrease with the increasing polarity of the solvent. In addition,DFT calculations of the title compounds＇ molecular electrostatic potentials（MEP） were performed at the B3LYP/6-31G（d,p） level of theory. X-ray study shows that the title compounds both have strong intramolecular O-H…N hydrogen bonds. The molecules of Ⅰ are linked into a one-dimensional framework structure by C-H…π interactions,while in Ⅱ,intermolecular π···π interactions result in the formation of infinite chains running along the [010].

关键词： crystal structure Schiff base DFT molecular electrostatic potential

Antidiabetic effect of Chrysophyllum albidum is mediated by enzyme inhibition and enhancement of glucose uptake via 3T3-L1 adipocytes and C2C12 myotubes

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Asian Pacific Journal of Tropical Biomedicine 2020年第9期10卷 387-396页

作者： Benjamin Kingsley harley Rita Akosua Dickson Isaac Kingsley Amponsah Robert A Ngala Dorice Berkoh Theophilus Christian Fleischer Department of Pharmacognosy and Herbal Medicine School of PharmacyUniversity of Health and Allied SciencesHoGhana Department of Pharmacognosy Faculty of Pharmacy and Pharmaceutical SciencesCollege of Health SciencesKwame Nkrumah University of Science and TechnologyKumasiGhana Department of Molecular Medicine School of Medical SciencesCollege of Health SciencesKwame Nkrumah University of Science and TechnologyKumasiGhana Department of Basic and Applied Biology School of SciencesUniversity of Energy and Natural ResourcesSunyaniGhana

Objective:To investigate the in vivo and in vitro antidiabetic potential of Chrysophyllum ***:The effects of oral treatment with hydro-ethanolic extract(125,250 and 500 mg/kg)of the stem bark of Chrysophyllum albidum and glibenclamide for 21 d on glucose level,serum enzyme markers for liver function,lipid profile,total protein,serum urea,serum creatinine,and body weight were evaluated in experimental diabetic rats administered with 45 mg/kg of *** vitro assays including glucose uptake in C2 C12 cells and 3 T3-L1 adipose tissues,α-glucosidase andα-amylase inhibition were employed to evaluate the possible mechanism of hypoglycemic action of the *** and nitric oxide radical antioxidant activity of the extract was also ***:The increased levels of blood glucose,triglycerides,lowdensity lipoprotein,total cholesterol,serum aspartate,and alanine transaminases,creatinine,and urea in the diabetic animals were reduced significantly(P<0.01)after treatment with Chrysophyllum albidum *** decreased total protein and high-density lipoprotein concentrations were normalized after *** addition,the extract significantly(P<0.01)increased the transport of glucose in 3 T3-L1 cells and C2 C12 myotubes and exhibited considerable potential to inhibitα-amylase andα-*** also demonstrated potent antioxidant action by scavenging considerably DPPH and nitric oxide ***:Chrysophyllum albidum stem bark extract exhibits considerable antidiabetic effect by stimulating glucose uptake and utilization in C2 C12 myotubes and 3 T3-L1 adipocytes as well as inhibiting the activities ofα-amylase andα-glucosidase.

关键词： Antidiabetic C2C12 myotubes α-glucosidase inhibition α-amylase inhibition Glucose uptake Chrysophyllum albidum

Nutritional care in hospitalized patients with chronic liver disease

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World Journal of Gastroenterology 2015年第45期21卷 12835-12842页

作者： Dep K Huynh Shane P Selvanderan Hugh AJ harley Richard H Holloway Nam Q Nguyen Discipline of Medicine University of Adelaide North Terrace Department of Gastroenterology and Hepatology Royal Adelaide Hospital North Terrace

AIM: To evaluate the practice of nutritional assessment and management of hospitalised patients with cirrhosis and the impact of malnutrition on their clinical ***: This was a retrospective cohort study on patients with liver cirrhosis consecutively admitted to the Department of Gastroenterology and Hepatology at the Royal Adelaide Hospital over 24 mo. Details were gathered related to the patients' demographics, disease severity, nutritional status and assessment, biochemistry and clinical outcomes. Nutritional status was assessed by a dietician and determined by subjective global assessment. Estimated energy and protein requirements were calculated by Simple Ratio Method. Intake was estimated from dietary history and/or food charts, and represented as a percentage of estimated daily requirements. Median duration of follow up was 14.9(0-41.4) mo. RESULTS: Of the 231 cirrhotic patients(167 male, age: 56.3 ± 0.9 years, 9% Child-Pugh A, 42% ChildPugh B and 49% Child-Pugh C), 131(57%) had formal nutritional assessment during their admission and 74(56%) were judged to have malnutrition. In-hospitalcaloric(15.6 ± 1.2 kcal/kg vs 23.7 ± 2.3 kcal/kg, P = 0.0003) and protein intake(0.65 ± 0.06 g/kg vs 1.01 ± 0.07 g/kg, P = 0.0003) was significantly reduced in patients with malnutrition. Of the malnourished cohort, 12(16%) received enteral nutrition during hospitalisation and only 6(8%) received ongoing dietetic review and assessment following discharge from hospital. The overall mortality was 51%, and was higher in patients with malnutrition compared to those without(HR = 5.29, 95%CI: 2.31-12.1; P < 0.001). CONCLUSION: Malnutrition is common in hospitalised patients with cirrhosis and is associated with higher mortality. Formal nutritional assessment, however, is inadequate. This highlights the need for meticulous nutritional evaluation and management in these patients.

关键词： Liver cirrhosis Nutrition assessment Mortality Mal

4-Amino-3-(p-chlorophenyl)-5-(p-methoxybenzyl)-4H-1,2,4-triazole:X-ray and DFT-calculated Structures

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Chinese Journal of Structural Chemistry 2011年第5期30卷 731-737页

作者： SAHIN Onur KANTAR Cihan BEKIRCAN Olcay SASMAZ Selami BüYükgüNGR Orhan Department of Physics Faculty of Arts and SciencesOndokuz Mayls University Department of Chemistry Rize University Karadeniz Teknik University

The title compound, 4-amino-3-（p-chlorophenyl）-5-（p-methoxybenzyl）-4H-1,2,4- triazole I , C16H15ClN4O）, has been determined using X-ray diffraction techniques and the molecular structure has also been optimized at the B3LYP/6-31 G（d, p） level using density functional theory （DFT）. The triazole ring exhibits dihedral angles of 41.61（15）o and 80.73（11）o with the phenyl rings. The molecules are linked principally by N–H…N hydrogen bonds involving the amino NH2 group and a triazole N atom, forming C（5） chains which are further linked to give a two-dimensional network of molecules. The N–H…N hydrogen bonding is supported by C–H…N hydrogen bond and C–H…π interaction. Intermolecular N–H…N and C–H…N hydrogen bonds produce R22（9）, R44（10） and R44（20） rings.

关键词： crystal structure chlorophenyl triazole hydrogen bonds

Synthesis and Crystal Structure of Trans-bis(acesulfamato-O)tetraaquazinc(Ⅱ)

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Chinese Journal of Structural Chemistry 2010年第7期29卷 1047-1050页

作者： SAHIN Onur ICBUDAK Hasan B(U|¨)Y(U|¨)kg(U|¨)NG(O|¨)R Orhan Department of Physics Faculty of Arts and SciencesOndokuz Mayis UniversitySamsunTurkey Department of Chemistry Faculty of Arts and SciencesOndokuz Mayis UniversitySamsunTurkey

The title compound, trans-bis（acesulfamato-O）tetraaquazinc（Ⅱ）（I, C8H16N2O12S2Zn）, crystallizes in the triclinic system, space group P1 with a = 5.1638（5）, b = 8.5338（9）, c = 9.9583（9）A, α = 74.325（8）, β = 81.112（7）, γ = 75.800（8）°, V= 407.77（7） A3, Z = 1, F（000） = 236, Rint = 0.085, T= 296 K, the final R = 0.029 and wR = 0.078 for 1832 observed reflections with I〉 2σ（0. The ZnⅡcentre resides on a centre of symmetry and has a distorted octahedral geometry. The basal plane is defined by two carbonyl O atoms of two monodentate trans-oriented acesulfamato ligands and two trans-aqua ligands. The axial positions in the octahedron are occupied by two trans-aqua ligands. Intermolecular O-H…O hydrogen bonds produce R22（8） and R22（16） rings, which lead to two- dimensional polymeric chains.

关键词： crystal structure zinc(Ⅱ) octahedral complex hydrogen bonds

Synthesis,Crystal Structure and Conformational Analysis of (E)-5-Methoxy-2-((4-methoxyphenylimino)methyl)phenol

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Chinese Journal of Structural Chemistry 2010年第3期29卷 359-364页

作者： ■AHN Onura BYkgNGR Orhana ALBAYRAK i■demb ODABA■O■LU Mustafac Department of Physics Faculty of Arts and SciencesOndokuz Mayis University Department of Science Education Sinop University Chemistry Programme Pamukkale University

The title compound,（E）-5-methoxy-2-（（4-methoxyphenylimino）methyl）phenol（C15H15NO3）,crystallizes in monoclinic,space group P21/c with a=9.4361（6）,b=10.6212（5）,c=12.9338（9）,β=93.064（5）o,V=1294.41（14）3,Z=4,Dc=1.320 g/cm3,F（000）=544,Rint=0.116,T=296 K,μ=0.09 mm-1,the final R=0.051 and wR=0.148 for 1836 observed reflections with I2σ（I）.An extensive two-dimensional network of C–H…O hydrogen bonds and π-ring interactions are responsible for the crystal *** hydrogen bonds and C–H…π interactions produce R22（14）,R44（30） and R44（31） *** addition to the molecular geometry from X-ray experiment,the molecular geometry of the title compound in the ground state has been calculated using the semi-empirical（AM1 and PM3） and density functional theory method（DFT）（B3LYP） with 6-31G（d） basis *** determine the conformational flexibility,molecular energy profile of the title compound was obtained by semi-empirical（PM3 and AM1） and DFT/B3LYP calculations with respect to the selected degree of torsional freedom,which varied from –180° to ＋180° in a step of 10°.

关键词： crystal structure Schiff base PM3 AM1 DFT conformational analysis

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浅谈HTPC相箱选购

微型计算机 2008年第9期28卷 131-133页

作者： harley

事实上，HTPC可看作家庭影院的一部分，它也是小型化，家电化的客厅电脑。与传统台式电脑相比。HTPC具备小巧，低噪音等特点，更加注重多媒体影音方面的功能。由于HTPC本身不宜体积过于庞大，因此选择适合的HTPC机箱，成为组建HTPC的重... 详细信息

事实上，HTPC可看作家庭影院的一部分，它也是小型化，家电化的客厅电脑。与传统台式电脑相比。HTPC具备小巧，低噪音等特点，更加注重多媒体影音方面的功能。由于HTPC本身不宜体积过于庞大，因此选择适合的HTPC机箱，成为组建HTPC的重点，毕竟HTPC机箱和传统立式机箱相比，着实不同。

关键词： HTPC 选购相箱台式电脑 PC机箱多媒体影音家庭影院立式机箱

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“量身订做”属于自己的DX10显卡

微型计算机 2008年第6期28卷 135-137页

作者： harley

你打算“DirectX10”了吗？购买正当时DX10显卡才上市时，价格非常昂贵。只有发烧友会购买GeForce 8800GTX这当时还属于“天价”的显卡。而GeForce8600GT、Radeon HD2600XT这样的中端显卡才上市时，价格也在1500元左右。从实际测试结果... 详细信息

你打算“DirectX10”了吗？购买正当时DX10显卡才上市时，价格非常昂贵。只有发烧友会购买GeForce 8800GTX这当时还属于“天价”的显卡。而GeForce8600GT、Radeon HD2600XT这样的中端显卡才上市时，价格也在1500元左右。从实际测试结果来看，中端DX10显卡的实际游戏性能相对GeForce7900GS这样的DX9中高端显卡并没有太大的优势，特别是在DX9游戏上。而当时甚至没有几款DX10游戏，因此，当时购买DX10显卡的时机并不成熟，DX10显卡更多的实际意义在于厂商推广新技术，为自己造势而已。

关键词：中端显卡 GeForce Radeon 游戏性能高端显卡实际意义 DX9 发烧友

Synthesis, Crystal and Molecular Structure and Biological Activity of Dimethyl Trans-3-(2-bromophenyl)-2-methylisoxazolidine-4,5-dicarboxylate

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Chinese Journal of Structural Chemistry 2012年第9期31卷 1251-1262页

作者： YÜKSEKTEPE Çigdem ÖZKAN Hamdi YAVUZ Serkan YANMAZ Volkan DISLI Ali BÜYÜkgÜNGÖR Orhan Department of Physics Faculty of ScienceCankiri Karatekin University Department of Chemistry Faculty of ScienceCankiri Karatekin University Department of Chemistry Faculty of Arts and SciencesGazi University Department of Physics Faculty of Arts and SciencesOndokuz Mayis University

The compound of dimethyl trans-3-（2-bromophenyl）-2-methylisoxazolidine-4,5-dicarboxylate has been synthesized and characterized by IR, 1H-NMR, 13C-NMR, 2D-NMR （COSY, NOESY, HMQC, HMBC） and UV-vis. spectroscopy techniques and single-crystal X-ray diffraction （XRD）. The biological activities of the title compound have been investigated in detail. The new compound crystallizes in monoclinic, space group C2/c with a = 26.9263（10）, b = 7.0970（2）, c = 19.8554（7）？, and β = 126.630（2）. In addition to the single crystal structure, the molecular geometry, vibrational frequencies, chemical shifts, molecular electrostatic potential and frontier molecular orbital analysis of the title compound in the ground state have been calculated by Density Functional Theory （DFT） method.

关键词： ab initio calculations isoxazolidine spectroscopy X-ray structure determination

Molecular identification of the potentially forensically relevant cluster flies Pollenia rudis (Fabricius) and Pollenia vagabunda (Meigen) (Diptera: Polleniidae) — non-recorded species in Algeria

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Forensic Sciences Research 2022年第1期7卷 69-77页

作者： Meriem Taleb Ghania Tail Halide Nihal Açıkgöz Department of Population and Organism Biology University of Blida 1BlidaAlgeria Department of Forensic Biology Ankara UniversityMamakAnkaraTurkey

Cluster flies are represented by the genus Pollenia Robineau-Desvoidy,1830 of the family Polleniidae Brauer and Bergenstamm,*** larvae are known to be internal parasites or predators of ***,we report for the first time the occurrence of the cluster flies Pollenia rudis Fabricius,1794 and Pollenia vagabunda(Meigen,1826)(Diptera:Polleniidae)on carcasses in Algeria and identify them through DNA barcoding.A region of the mitochondrial cytochrome c oxidase I gene(COI)was amplified and *** distances were determined.A phylogenetic tree was constructed with the maximum parsimony method using 10000 bootstrap replicates.A total number of 157 adults of *** were collected together with 325 adults of Pollenia *** occurrence of Pollenia on animal carcasses does not seem to be correlated with a particular stage of *** the sequences were correctly identified using the BLASTn tool from the GenBank database and the BOLD identification ***-and interspecific sequence divergence values were less than 1%and greater than 3%,*** barcodes obtained from this study were robust enough to identify and distinguish unambiguously between *** and *** the tree-based analysis,the cluster flies were all assigned to their respective species separately from each other confirming the morphological *** results provide DNA barcodes that contribute to the growth of reference databases and allow fast and accurate identification.

关键词： Forensic sciences forensic entomology Pollenia cytochrome c oxidase I DNA barcoding North Africa