氨氯地平叶酸片治疗H型高血压的临床效果及药物经济学评价

目的:探讨氨氯地平叶酸片治疗H型高血压的临床效果及药物经济学评价。方法:回顾性选取2022年8月—2023年8月福建医科大学附属三明第一医院收治的141例H型高血压患者作为研究对象。根据使用药物将其分为A组、B组、C组,各47例。A组给予苯磺酸氨氯地平片,B组给予氨氯地平叶酸片,C组给予马来酸依那普利叶酸片。比较两组临床疗效,治疗前后血压指标及同型半胱氨酸(homocysteine,Hcy)、血管内皮功能及炎症因子,不良反应及药物经济学。结果:B组总有效率显著高于A组和C组,差异有统计学意义(P<0.05)。治疗后,三组收缩压(systolic blood pressure,SBP)、舒张压(diastolic blood pressure,DBP)和Hcy水平均降低,B组SBP、DBP和Hcy水平均低于A组和C组,C组低于A组,差异有统计学意义(P<0.05)。治疗后,三组一氧化氮(nitric oxide,NO)水平升高,内皮素-1(endothelin-1,ET-1)、肿瘤坏死因子-α(tumor necrosis factor-α,TNF-α)、白细胞介素-6(interleukin-6,IL-6)和超敏C反应蛋白(hypersensitive C-reactive protein,hs-CRP)水平均降低,B组NO水平显著高于A组及C组,ET-1、TNF-α、IL-6和hs-CRP水平均显著低于A组及C组,C组NO水平显著高于A组,ET-1、TNF-α、IL-6和hs-CRP水平均显著低于A组,差异有统计学意义(P<0.05)。三组不良反应发生率比较,差异无统计学意义(P>0.05)。B组药物成本低于A组和C组,C组低于A组,差异有统计学意义(P<0.05)。结论:氨氯地平叶酸片治疗H型高血压的临床效果好,不仅有效降低血压、Hcy水平和炎症因子水平,改善其血管内皮功能,更具有经济性。

Wet air oxidation treatment of H-acid wastewater

This paper presents the effect of reaction factors on wet air oxidation(WAO) of H acid wastewater. Higher COD Cr removal were observed at low initial pH, high reaction temperature and no addition of Na 2SO 4. Initial oxygen pressure P O 2 should be consistent with the initial H acid concentration. The changes of some indexes were also studied. A significant initial (about 10 min) rapid reduction in COD Cr was observed at 200℃ and 250℃. The decline of pH and the increase of SO 2- 4 concentration were found in all the experiments. Some formic acid and large amount of acetic acid were detected in the treated solution in this study. The analysis of off gas indicated undetectable amount of SO 2 and nitrogen oxides. The biodegradability of H acid solution was greatly improved after WAO treatment. The ratio of BOD 5/COD Cr increased from initial 3 4% to 33 3% after one hour reaction at 160℃ and 3 MPa initial oxygen pressure(initial H acid concentration:10 g/L, mixing speed:300 r/min). The result of WAO of H acid production wastewater was similar to that of WAO of H acid pure compound in distilled water.

叶酸联合依那普利治疗老年H型高血压的效果及对血管内皮功能和Hcy水平的影响

目的 观察叶酸联合依那普利治疗老年H型高血压的效果及对血管内皮功能和同型半胱氨酸(Hcy)水平的影响。方法 选取2019年10月—2020年10月昆明医科大学第一附属医院收治的老年H型高血压患者82例,根据随机数字表法分为观察组和对照组,每组41例。对照组予马来酸依那普利片治疗,观察组在对照组基础上加用叶酸片治疗,2组均治疗3个月。比较2组临床疗效,治疗前后血压情况、血管内皮损伤指标[一氧化氮(NO)、血管内皮素(ET-1)]、颈动脉内—中膜厚度(IMT)、血清Hcy、血浆可溶性细胞间黏附分子-1(sICAM-1)水平及不良反应。结果 观察组治疗总有效率为95.12%,高于对照组的78.05%(χ^(2)=5.145,P=0.023)。治疗3个月后,2组收缩压、舒张压低于治疗前,且观察组低于对照组(P<0.01);2组NO水平较治疗前升高,ET-1水平较治疗前降低,且观察组升高/降低幅度大于对照组(P<0.01);2组IMT较治疗前减小,血清Hcy、血浆sICAM-1水平较治疗前降低,且观察组低于对照组(P<0.01)。观察组与对照组不良反应总发生率均为4.88%,差异无统计学意义(P>0.05)。结论 叶酸联合依那普利治疗老年H型高血压疗效显著,控制血压效果更佳,并能改善血管内皮损伤,降低Hcy水平及心脑血管疾病的发病风险,且不良反应发生率低。

社区H型高血压患者药物基因作用靶点多态性分布及叶酸联合维生素D干预效果研究

背景H型高血压严重影响着人们的健康及生活质量,目前临床上治疗高血压主要根据患者症状和临床经验选择药物,降压效果不理想,急需探寻降压药物基因分布的多态性,为高血压患者进行个体化用药指导。目的探讨济南市社区H型高血压药物作用靶点基因多态性分布及叶酸联合维生素D的干预作用,为该地区开展高血压医防融合精准医疗提供参考依据。方法2020年6月—2022年6月随机抽取山东省济南市槐荫区20家街道办事处社区卫生服务中心200例血压控制不佳的高血压患者为研究对象,治疗前首先进行5类常用抗高血压药物[利尿剂、β受体阻滞剂、血管紧张素转化酶抑制剂(ACEI)、钙离子通道抑制剂(CCB)、血管紧张素Ⅱ受体拮抗剂(ARB)]相关高血压个体化用药基因位点的基因多态性检测。将患者随机分为基因导向治疗组(基因组)与基因导向协同叶酸、维生素D治疗组(基因导向组),每组100例。基因组根据检测的高血压基因作用位点的特点调整用药;基因导向组在基因组治疗方案的基础上同时服用叶酸、维生素D。干预初始(M0)、干预3个月(M3)、干预6个月(M6)时采集患者晨间未服用降压药物情况下坐位收缩压和舒张压。记录患者患病情况、不良反应发生情况、脑卒中发生情况,进行基因测序,检测血清同型半胱氨酸(Hcy)浓度。采用Pearson相关性分析或Spearman秩相关分析探究性别、年龄、收缩压、舒张压与Hcy的相关性。结果研究对象性别(r_(s)=-0.463)、收缩压(r=0.181)、舒张压(r=0.188)与Hcy水平有相关性(P<0.05)。5类抗高血压药物基因作用靶点中,与药物代谢酶基因多态性位点相关的分别是CYP3A5(A6986G)、CYP2C9(c.1075A>C)、CYP2D6(c.100C>T),与药物作用靶点敏感性基因多态性位点相关的是ADRB1、ACEI(I/D)、AGTR1、NPPA。基因组A6986G:CYP3A5*1/*1(AA)、ACEI(I/D):D/D、c.100 C>T:CYP2D6*1/*1(CC)患者M3、M6舒张压低于M0,A6986G:CYP3A5a1/a3(AG)、ADRB1 c.1165 G>C:GG、c.1075 A>C:CYP2C9*1/*3(AC)、c.1075 A>C:CYP2C9*3/*3(CC)患者M6舒张压低于M0,A6986G:CYP3A5*3/*3(GG)、ADRB1 c.1165 G>C:CC、ACEI(I/D):I/I、c.1075 A>C:CYP2C9*1/*1(AA)、AGTR1 c.1166 A>C:AA、NPPA T2238C:TT、c.100 C>T:CYP2D6*10/*10(TT)患者M3、M6收缩压、舒张压低于M0,ADRB1 c.1165 G>C:GC、ACEI(I/D):I/D、c.100 C>T:CYP2D6*1/*10(CT)患者M6收缩压低于M0,M3、M6舒张压低于M0,差异有统计学意义(P<0.05)。Hcy水平组间比较结果显示,M3、M6基因导向组Hcy水平低于基因组,差异有统计学意义(P<0.05)。组内比较结果显示,基因组M6 Hcy水平低于M0,基因导向组M3、M6 Hcy水平低于M0,M6 Hcy水平低于M3,差异有统计学意义(P<0.05)。收缩压、舒张压组间比较结果显示,M3、M6基因导向组收缩压、舒张压低于基因组,差异有统计学意义(P<0.05)。组内比较结果显示,基因组、基因导向组M6收缩压、舒张压低于M0,M6收缩压低于M3,差异有统计学意义(P<0.05)。结论社区H型高血压患者中存在高血压药物相关基因多态性的表达差异,个体化用药效果显著;叶酸联合维生素D协同治疗更能显著降低H型高血压水平。

SALVIANOLIC ACID H,A NEW DEPSIDE FROM SALVIA CAVALERIEI VAR.SIMPLICIFOLIA

A new depside named salvianolic acid H was isolated from the aqueous extract of Salvia cavaleriei vat.simplicifolia,along with salvianolic acid A,B,C,isosalvianolic acid C,lithospermic acid, rosmarinic acid,R-(+)-β-(3,4-dihydroxyphenyl)lacticacid and protocatechualdehyde.Rosmarinic acid was obtained as the major component.

Arsenic removal from contaminated soil using phosphoric acid and phosphate

Laboratory batch experiments were conducted to study arsenic （As） removal from a naturally contaminated soil using phosphoric acid （H3PO4） and potassium dihydrogen phosphate （KHEPO4）. Both H3PO4 and KHEPO4 proved to reduce toxicity of the soil in terms of soil As content, attaining more than 20% As removal at a concentration of 200 mmol/L. At the same time, acidification of soil and dissolution of soil components （Ca, Mg, and Si） resulted from using these two extractants, especially H3PO4. The effectiveness of these two extractants could be attributed to the replacement of As by phosphate ions （PO4^3-）. The function of H3PO4 as an acid to dissolve soil components had little effects on As removal. KH2PO4 almost removed as much As as H3PO4, but it did not result in serious damage to soils, indicating that it was a more promising extractant. The results of a kinetic study showed that As removal reached equilibrium after incubation for 360 rain, but dissolution of soil components, especially Mg and Ca, was very rapid. Therefore dissolution of soil components would be inevitable if As was further removed. Elovich model best described the kinetic data of As removal among the four models used in the kinetic study.

Three New Zn(Ⅱ)/Cd(Ⅱ) Coordination Polymers Constructed with 2-Mercaptonicotinic Acid and 1,2-Di(4-pyridyl)ethylene: Syntheses and Structure Analysis

Three new Zn（Ⅱ）/Cd（Ⅱ） coordination polymers based on 2-mercaptonicotinic acid （H2mna） with 1,2-di（4-pyridyl）ethylene （dpe） introduced as a bridging ligand have been synthesized via hydrothermal method and structurally characterized by single-crystal X-ray diffraction as well as elemental analysis and IR. As reported in this paper, [Zn2（dpe）0.5（mna）2] （1） can be classified as a two-dimensional layer structure in which the 1D chain composed of Zn（Ⅱ） and mna ligands is bridged by dpe ligands, while the complex named [Zn4（dpe）4（mna）4] （2） is a tetra-nuclear cluster compound. These two compounds are further extended to three-dimensional structures by hydrogen bonds along with C–H…π and π…π interactions. Compound 3 with general formular [Cd2（dpe）0.5（mna）2]·H2O belongs to a three-dimensional porous structure in which the 2D metal layers formed by the coordination of Cd（Ⅱ） and mna ligands are connected with the bridging of dpe ligands.

A Green Synthesis of 2-Ethylanthraquinone by Dehydration of 2-(4'-ethylbenzoyl) benzoic Acid over Solid Acid Catalysts

The dehydration of 2-（4＇-ethylbenzoyl） benzoic acid （BE acid） to 2-ethylanthraquinone （2-EAQ） was investigated over solid acid catalysts. The results showed that H-beta zeolite catalyst modified by dilute HNO3 solution exhibited an excellent performance. In our study, the conversion of BE acid can reach 96.7%, and the selectivity to 2-EAQ is up to 99.6%.

马来酸依那普利叶酸片治疗H型高血压的效果及对脑卒中的预防作用

目的:分析马来酸依那普利叶酸片治疗H型高血压的效果及对脑卒中的预防作用。方法:选取2013年4月—2020年6月梧州市红十字会医院心内科治疗的H型高血压患者201例为研究对象,随机分为观察组(101例)和对照组(100例)。对照组口服厄贝沙坦片治疗,观察组口服马来酸依那普利叶酸片治疗。比较两组血压、血清同型半胱氨酸(Hcy)、不良反应发生情况、脑卒中发生率。结果:治疗前后,两组收缩压(SBP)、舒张压(DBP)水平比较,差异无统计学意义(P>0.05);治疗后,两组SBP、DBP水平低于治疗前,差异有统计学意义(P<0.05)。治疗前,两组Hcy水平比较,差异无统计学意义(P>0.05);治疗后,两组Hcy水平低于治疗前,观察组低于对照组,差异有统计学意义(P<0.05)。两组不良反应发生率比较,差异无统计学意义(P>0.05);观察组脑卒中发生率低于对照组,差异有统计学意义(P=0.049)。结论:马来酸依那普利叶酸片治疗H型高血压患者可有效降低血压、Hcy水平及脑卒中发生率。

Comparison of Fatty Acid and Proximate Composition between <i>Holothuria edulis</i>and <i>Holothuria scabra</i>Collected from Coastal Water of Sabah, Malaysia

The nutritional values of different species of sea cucumber are greatly concerned because of their dietary and curative properties. In this study, two species of sea cucumber, Holothuria edulis, a low-valued noncommercial species, and Holothuria scabra, a high-valued commercial species were selected to compare its proximate composition and fatty acids. H. edulis a prevalent species in coastal water of Sabah is not commercially importance like H. scabra. Sea cucumbers were captured live from the Sabah marine habitat. All samples were immediately eviscerated, freeze-dried and stored at 4°C in until analyzed. Silylating agent N, O-Bis(trimethylsilyl) trifluoroacetamide (BSTFA) was used to derivitization of fatty acid prior to gas chromatography-mass spectrometry (GC-MS) analysis. Proximate compositions (%), such as moisture, crude protein, crude lipids and ash were carried using standard methods. Major fatty acids in H. edulis and H. scabra were saturated fatty acid (SFA) accounted for 83.95% and 98.60%, respectively and dominated with Palmitic acids. Polyunsaturated fatty acid (PUFA), arachidonic acid of 16.05% was found only in H. edulis, but absent H. scabra. Proximate compositions (dry weight) were varied greatly within these two species. Moisture, crude protein, crude lipids and ash of 85.5%, 70.5%, 1.37% and 1.27% respectively were obtained in H. edulis. On the other hand 84.5% of moisture, 51.2% of crude protein, 0.27% of crude lipids and 4.44% of ashes were determined in H. scabra. Significantly higher protein (p H. edulis compare to H. scabra could be the choice of option for the utilization of this non commercial species as nutraceutical industry and also alternatives to reduce the pressure on heavily exploited species of H. scabra.

Humic Acid-Induced Hairy Root Growth in Basil Ismodulated by Nitric Oxide and Reactive Oxygen Species

The bioactivity of humic acids (HA) is mainly due to the presence of auxin analogs. In turn, nitric oxide (NO) production in plants affects root growth and may result from endogenous auxin production or the application of synthetic auxin analogs or HA. Nitric oxide signaling may be related to the bioactivity of the HA. Although the auxin, NO, and ROS-mediated activity of HA has been studied, no studies exist on their effects in Ocimum basilicum L., commonly known as basil. A study under controlled in vitro conditions was performed using hairy roots (hairy roots) of basil grown in medium with N-NO3- (0.5 or 5.0 mM) and subjected to treatments with HA (3 mMC·L-1) or sodium nitroprusside (SNP;100 μM), an NO donor, either without or with 2-(4-carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide (cPTIO;200 μM), an NO scavenger. The addition of HA and SNP resulted in significant increases in the root growth, associated with increased NO and reactive oxygen species (ROS) contents. The application of the NO scavenger cPTIO with the SNP and HA decreased the effects of both substances on the root growth and endogenous levels of the NO and ROS. The increased root growth promoted by the NO donor (SNP) and HA was also associated with increased proton pump and catalase activity for both N-NO3- levels tested. The results showed that the effects of HA are dependent on NO and ROS, which act as messengers, inducing root growth.

A Novel Three-dimensional Mn(Ⅱ) Coordination Polymer Constructed from Biphenyl-3,3',5,5'-tetracarboxylic Acid and Water

The title Mn（Ⅱ） coordination polymer,poly{[heptaaqua-（μ4-bi-phenyl-3,3？,5,5？-tetracarboxylate）-bimanganese（Ⅱ）] pentahydrate},[Mn_2（bpta）（H_2O）_7]_n·5n H_2O（I）,is crystallized from a mixture of biphenyl-3,3？,5,5？-tetracarboxylic acid（H_4bpta） and MnCl_2·4H_2O in waterethanol under room temperature. Its asymmetric unit consists of one and two halves of crystallographically independent Mn（Ⅱ） cations,one fully deprotonated H4 bpta ligand,seven coordinated water molecules and five solvent water as guest molecules. In I,each Mn（Ⅱ） atom is octahedrally coordinated by six oxygen atoms from bpta^（4-） anions and coordinated water molecules. In the Mn（Ⅱ） cations,one half Mn（Ⅱ） ion of them located at a 2-fold axis generating a trinuclear [Mn_3（H_2O）_2（RCOO）_2] linker by μ1,1-O（water） and μ1,3-O,O？（carboxylate） bridges and another half Mn（Ⅱ） ion with an inversion is a mononuclear linker. These neighbouring trinuclear and mononuclear Mn（Ⅱ） cations are linked together by biphenyl-3,3？,5,5？-tetracarboxylates to form a three-dimensional framework with a（42.84） topology of a（4,4）-connected net,in which the positions of the trinuclear [Mn_3（H_2O）_2（R-COO）_2] linker as a 4-connector linking four bpta^（4-） ligands in I reproduce an eagle-shaped arrangement. The polymeric structure exhibits a water channel with an accessible void of 797.1 ？~3,amounting to 15.7% of the total unit-cell volume. Each of the cavities in the network is occupied by solvent water molecules.

Enhanced photocatalytic activity of nanotube-like titania by sulfuric acid treatment

The TiO 2 nanotube sample was prepared via a NaOH solution in a Teflon vessel at 150℃. The as-prepared nanotubes were then treated with H 2SO 4 solutions. The TiO 2 nanotube has a crystalline structure with open-ended and multiwall morphologies. The TiO 2 nanotubes before and after surface acid treatment were characterized by X-ray diffraction(XRD), scanning electron microscopy(SEM), transmission electron microscopy(TEM) and UV-VIS dispersive energy spectrophotometry(DRS). The photocatalytic activity of the samples was evaluated by photocatalytic degradation of acid orange II in aqueous solutions. It was found that the order of photocatalytic activity was as follows: TiO 2 nanotubes treated with 1.0 mol/L H 2SO 4 solution (TiO 2(1.0M H 2SO 4) nanotubes)>TiO 2 nanotubes treated with 0.2 mol/L H 2SO 4 solution (TiO 2(0.2M H 2SO 4) nanotubes)>TiO 2 nanotubes >TiO 2 powder. This was attributed to the fact that TiO 2 nanotubes treated with H 2SO 4 was composed of smaller particles and had higher specific surface areas. Furthermore, the smaller TiO 2 particles were beneficial to the transfer and separation of photo-generated electrons and holes in the inner of and on the surface of TiO 2 particles and reduced the recombination of photo-generated electrons and holes. Acid treatment was particularly effective for TiO 2 nanotubes, this increase in activity was correlated with the concentration of H 2SO 4 solution.

沙库巴曲缬沙坦钠片联合叶酸治疗对H型高血压患者血压、sdLDL-C水平及血浆Hcy的影响

目的 探讨沙库巴曲缬沙坦钠片联合叶酸治疗对H型高血压患者血压、sdLDL-C水平及血浆Hcy的影响。方法 选取2021年10月至2022年9月于淄博市第一医院进行治疗的176例H型高血压患者为受试者,按照随机双盲法将其分为2组。对照组受试者采用沙库巴曲缬沙坦钠片进行治疗;研究组受试者在对照组基础上给予叶酸进行治疗。观察两组受试者临床疗效、血压、血脂代谢指标、血清炎症指标情况。结果 研究组受试者临床疗效总有效率为92.05%远高于对照组,差异有统计学意义(χ^(2)=3.965,P<0.05)。研究组受试者治疗后收缩压,舒张压均低于对照组,差异有统计学意义(t=6.007、4.186,P<0.05);经治疗后,研究组受试者血脂代谢指标TC、TG、HDL-C、LDL-C和sdLDL-C水平均较对照组低,差异有统计学意义,(t=19.705、19.105、13.304、13.466、10.713,P<0.05);两组受试者经治疗后,研究组受试者血清炎症指标IL-6、TNF-α、hs-CRP、Hcy均优于对照组,差异有统计学意义(t=19.705、19.105、13.304、13.466、10.713,P<0.05)。结论 沙库巴曲缬沙坦钠片联合叶酸治疗H型高血压具有较好的临床效果,能有效降低H型高血压患者的血压,改善患者血脂情况,同时降低患者体内的血清炎症指标,具有较高的临床应用价值,值得推广。

Synthesis and Crystal Structure of 1-H-Pyrrole-2-carboxylic Acid [2-(Naphthalen-1-ylamino)-ethyl]-amide

1-H-Pyrrole-2-carboxylic acid [2-（naphthalen-1-ylamino）-ethyl]-amide has been synthesized and characterized. Its crystal is of monoclinic, space group P2 1/n with a = 5.930（6）, b = 12.144（13）, c = 20.10（2） , A, β = 95.709（17）°, V= 1441（3） ,A, Z= 4, C17H17N3O, Mr= 279.34, Dc= 1.288 g/cm^3, F（000） = 592, μ（MoKa） = 0.083 mm^-1, S = 1.019, R = 0.0473 and wR = 0.1181 for 1713 observed reflections with I 〉 2 σ（I）. X-ray diffraction reveals that two molecules of the title compound form a dimer through a pair of N-H…O hydrogen bonds.

6-氟-4-羟基-3-氧代-3,4-二氢喹喔啉-1(2 H)-羧酸叔丁酯的合成、晶体结构及抗肿瘤活性研究

喹喔啉类化合物由于具有显著的生物活性而被广泛应用于医药、化工领域,特别是抗癌药物研发领域。本文通过四步反应法首次合成了6-氟-4-羟基-3-氧代-3,4-二氢喹喔啉-1(2 H)-羧酸叔丁酯,经溶液结晶法获得其单晶体。晶体学分析表明,该化合物属单斜晶系,空间群C2/c,晶胞常数a=1.28663(10)nm,b=2.25249(17)nm,c=1.01564(7)nm,Z=8,ρ_(c)=1.359 g·cm^(-3),R=0.0538,R_(w)=0.1406。在B3LYP/6-311+G(2d,p)模式下使用密度泛函理论(DFT)计算了该化合物的最佳结构,与X射线单晶衍射确定的晶体结构基本一致。抗肿瘤活性研究表明其有良好的抗肿瘤作用。此外,通过DFT计算了分子的静电势和前沿分子轨道。

A Study of Acidic Sites in H[M]-ZSM-5 Zeolites by XPS, IR and TPD

The present paper covers an X-ray photoelectron spectroscopic (XPS) method proposed for identifying Bronsted and Lewis acidic sites in zeolites and estimating acidic strength of these sites. It was found that the adsorption of pyridine on different acidic sites of H[M]-ZSM-5 zeolites exhibited three peaks: A (402.20-401.30 eV), B (400.95-400.40 eV) and C (399. 40-399. 10 eV). The peaks A and B are assigned to the N(?) level of pyridine adsorbed on Bronsted and Lewis acidic sites, and peak C is assigned to the N(?) level of pyridine adsorbed on a weak Lewis site and/or strongly physisorbed pyridine, respectively. The comparison of the ratio of the Bronsted and Lewis acidic sites determined from the relative intensities of the N(?), peaks with IR spectroscopic data shows that there is an inhomoge-neous distribution of Bronsted and Lewis acidic sites in H[M]-ZSM-5 zeolites. The N(?), binding energies of pyridine adsorbed on these zeolites directly reflect acidic strength, and these results are in good agreement with those observed in NH3-TPD experiments.

Esterification of Glycerol by Oleic Acid and Selective Hydrogenation of Oieic Acid Methylester Over Acid and Ru-Sn-B Supported Mesoporous AIMCM-41

The AlMCM-41 molecular sieves with two different pore sizes are hydrothermally synthesized in the presence of surfactants with two different chain lengths. H-AlMCM-41 and Ru-Sn-B/H-AlMCM-41 which are prepared by the conventional ion-exchange and incipient wetness techniques of the AlMCM-41 show fair catalytic activity for esterification of glycerol by oleic acid and selective hydrogenation of oleic acid methylester, respectively.

NMR Studies of a New Binding Mode of the Amino Acid Esters by Porphyrinatozinc(Ⅱ)

The binding mode of the amino acid ethyl esters(guest) by 5 (2 carboxylphenyl) 10,15,20 triphenylporphyrinatozinc(Ⅱ)(host 1) was studied by means of 1H NMR spectra. The binding mode is the hydrogen bonding between the amino group of the guest and the carboxyl group of host 1 plus the coordination between the zinc atom of porphyrinatozinc(Ⅱ) and the carbonyl group of the guest. This is a novel binding mode of the metalloporphyrin to amino acid derivatives.

Crystal Structure and Theoretical Studies of Tetrahytrate(1-H-1,2,4-triazole-3,5-dicarboxylicacid)nickel

A new compound, [Ni（Hdctrz）（H2O）4]（1, H3dctrz = 1-H-1,2,4-triazole-3,5-dicarboxylic acid）, has been successfully synthesized via slow evaporation. The structure of 1 was characterized by FT-IR, elemental analysis and single-crystal X-ray diffraction. Compound 1 crystallizes in monoclinic, space group P21/c with a = 6.871（1）, b = 11.468（1）, c = 12.178（1） A, b = 101.291（1）o, V = 941.01（16） A3, Z = 4, C4H9N3O8Ni, Mr = 285.85, Dc = 2.018 g·cm–3, m = 2.10 mm–1, F（000） = 584, GOOF = 1.025, the final R = 0.0515 and wR = 0.2125 for 1404 observed reflections（I 〉 2s（I））. The crystal structure is assembled by a slightly distorted {NiNO5} octahedral geometry and hydrogen bonds viz. N–H…O, O–H…O, C–O…π and π···π weak interactions. A rare π···π interaction from triazolate and carboxylate is affirmed through the molecular orbitals（MO） of three adjacent Ni CN molecules. The 3D Hirshfeld surface analysis was employed to gain additional insight into the interactions responsible for the packing of compound 1. Quantitative examination of 2D fingerprint plots revealed, amongst others, the dominating participation of O···H, N···H and π···π interactions in the molecular packing.