Assignment of the 1H and 13C NMR Chemical Shifts of (3,4-Dihydro-2H-pyran-5-yl)-oxo-acetic Acid Methyl Ester Using the Two Dimensional HMBC Technique

The identification of (3, 4-dihydro-2H-pyran-5-yl)-oxo-acetic acid methyl ester has been realized by combination of two dimensional HETCOR and HMBC techniques. ¹³C and ¹H chemical shifts asignements are described.     

NMR Studies of Drugs. Applications of Achiral and Chiral Lanthanide Shift Reagents to the Analgesic,Famprofazone: “Anomalous Shifts”

The 200 MHz ¹H NMR spectra of the analgesic, famprofazone, 1, have been studied in CDCl₃ solution at ambient temperatures with the achiral lanthanide shift reagent (LSR) tris (6, 6, 7, 7, 8, 8, 8-heptaf luoro-2, 2-dimethyl-3, 5-octanedionato) europium (III), Eu(FOD)₃, 2, for spectral simplification, and with the chiral LSR, tris [3-(heptafluoropropylhydroxymethylene) - (+) camphorato] europium (III), Eu (HFC)₃, 3. Lanthanide induced shift (LIS) magnitudes suggested predominant LSR binding at the carbonyl oxygen. Substantial enantiomeric shift differences were observed for several nuclei of 1 with added 3 which could permit direct determinations of enantiomeric excess.     

Dynamic phase transition and dynamic phase diagrams in the spin-5/2 Blume–Capel model under a time-dependent oscillating external field

We calculate the dynamic phase transition (DPT) temperatures and present the dynamic phase diagrams in the kinetic spin-5/2 Blume–Capel model under the presence of a time-dependent oscillating external magnetic field. First, we employ the Glauber transition rates to construct the mean-field dynamic equation. Then, we study the time variation of the average magnetization to find the phases in the system. We also investigate the behaviour of the dynamic magnetization to characterize the nature (continuous and discontinuous) of transition and to obtain the DPT points. We present the dynamic phase diagrams in two different planes. The phase diagrams include the ferromagnetic-5/2 (f_5/2), the ferromagnetic-1/2 (f_1/2) and paramagnetic (p) fundamental phases. In addition to these fundamental phases, we find 10 mixed phases, depending on the interaction parameters. The phase diagrams display many special points, such as a dynamic tricritical point, a double critical end point, a triple point and a quadruple point.     

Phase behavior of four homologous compounds of 4-n-alkyl-4′-isothiocyanatobiphenyl (nBT) under pressure

The phase behavior of four homologous compounds of 4-n-nonyl-, 4-n-decyl-, 4-n-undecyl-, and 4-n-dodecyl-4′-isothiocyanatobiphenyl (9BT, 10BT, 11BT, and 12BT) was re-investigated to characterize their high-pressure mesophases under pressures up to 150 MPa using a polarizing optical microscope equipped with a high-pressure optical cell and a wide-angle X-ray diffractometer equipped with a high-pressure sample vessel. The pressure-induced mesophases of 9BT and 10BT appearing under pressures above about 60 and 100 MPa, respectively, were identified as nematic (N) and SmA phases, which indicate the reversible Cr–CrE–N–I and Cr–CrE–SmA–I phase transitions under elevated pressure. 11BT and 12BT exhibited the reversible transition of Cr–CrE–SmA–I in the low-pressure regions below about 5 and 23 MPa, respectively. Both the stable CrE phases changed into the monotropic (and metastable) one under higher pressures, in which the Cr–SmA–I and I–SmA–CrE–Cr phase transitions on heating and cooling processes, respectively, were recognized.     

糠醇辅助的聚合凝胶法制备纳米Li4Ti5O12负极材料

以硝酸锂、钛酸正丁酯和糠醇为反应物,采用糠醇聚合凝胶法制备了纳米Li₄Ti₅O₁₂粉体．利用XRD、SEM和BET比表面测试对产物进行了表征,并研究了纳米Li₄Ti₅O₁₂粉体作为锂离子电池负极材料的电化学性能．在700℃或更高温度烧结时产物为纯相的尖晶石型．通过柠檬酸、聚乙烯吡咯烷酮、十六烷基三甲基溴化铵(CTAB)表面活性剂的加入能够减少产物颗粒的团聚程度,增大粉体的比表面积,提高其电化学性能．加入0.5 g CTAB、700℃烧结12 h的Li₄Ti₅O₁₂粉体展示出最高的比容量和最佳的循环性能,10 C下充电比容量高达156.7 mAh/g．     

Combinatorial synthesis of small-molecule libraries using 3-amino-5-hydroxybenzoic acid

Summary A non-peptide library of 2001 compounds has been prepared utilizing solid-phase techniques. The split/combine method was demonstrated to work well to form mixtures of compounds based on 3-amino-5-hydroxybenzoic acid as a core structure. The benzoic acid of the core structure served as the attachment point for the resin and the amino and hydroxy positions were variably substituted.     

Constrained minima of nonlocal free energy functionals

We consider variational problems involving nonlocal free energy functionals that arise from Gibbs measures with Kac potentials and are related to the characterization of the optimal (i.e., typical) shape of an interface under given constraints on the magnetization profile.     

新型碳团簇HI的微波低透射率性能研究

文中主要研究了新型碳团簇ＨＩ在低频率１．５～３．５ＧＨｚ之间的微波透射性能，及其温度对微波透射性能的影响，得到了具有低透射率的新型碳团簇ＨＩ的制备条件。     

短波长相变光盘记录介质Ge2Sb2Te5薄膜的制备及静态性能研究

研究了６３２．８ｎｍ波长下适用的相变光盘介质Ｇｅ２Ｓｂ２Ｔｅ５薄膜的制备方法和静态光存诸记录特性，发现该薄膜可在１００ｎｓ条件下实现直接重写，在优化膜层结构后，写擦循环次数高达１０＾６，反射率对比度在１５％以上。     

利用体内~（19）FNMR研究5─氟尿嘧啶在小鼠肝脏及肿瘤组织中的代谢过程

利用体内１９ＦＮＭＲ研究了５─氟尿嘧啶在小鼠肝脏及植入肿瘤组织中的代谢过程．５─氟尿嘧啶在肝脏中的生物半衰期为１５～２０ｍｉｎ，而在Ｓ１８０肿瘤中的生物半衰期为５０─６０ｍｉｎ．除５─氟尿嘧啶的信号外．在肝脏中观测到了５─氟尿嘧啶的分解代谢产物ＦＵＰＡ和ＦＢＡＬ，而在肿瘤中则只有合成代谢产物氟代核苷酸的信号．实验结果表明．核磁共振是研究药物在体内代谢过程的有力方法．