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A novel small-animal locomotor activity recording device for biological clock research
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作者 Yi-Long Wu Ming Zhong +5 位作者 Jun Yin Wei-Jie Ou Yu-Bin Zhuang Nan-Wen Zhang Su Lin Yue-Yong Zhu 《Animal Models and Experimental Medicine》 CAS CSCD 2024年第1期71-76,共6页
The rodent running-wheel recording apparatus is a reliable approach for studying cir-cadian rhythm.This study demonstrated how to construct a simple and intelligent running-wheel recording system.The running wheel was... The rodent running-wheel recording apparatus is a reliable approach for studying cir-cadian rhythm.This study demonstrated how to construct a simple and intelligent running-wheel recording system.The running wheel was attached to the cage's base,whereas the Hall sensor was attached to the cage's cover.Then,the RJ25 adaptor relayed the running signal to the main control board.Finally,the main control board was connected to the USB port of the computer with the USB connection.Data were collected using the online-accessible,self-created software Magturning.Through Magturning,generated data were saved and exported in real time.Afterward,the device was validated by collecting data on the locomotor activities of mice under dif-ferent light conditions.In conclusion,this new device can record circadian activity of rodents.Our device is appropriate for interdisciplinary investigations related to biological clock research. 展开更多
关键词 biological clock circadian rhythm intelligent equipment locomotor activity running wheel
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Atomically Adjustable Rhodium Catalyst Synthesis with Outstanding Mass Activity via Surface-Li mi ted Cation Exchange
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作者 Hak Hyeon Lee Dong Su Kim +3 位作者 Swagotom Sarker Ji Hoon Choi Ho Seong Lee Hyung Koun Cho 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2024年第2期83-92,共10页
Rh has been widely studied as a catalyst for the promising hydrazine oxidation reaction that can replace oxygen evolution reactions for boosting hydrogen production from hydrazine-containing wastewater.Despite Rh bein... Rh has been widely studied as a catalyst for the promising hydrazine oxidation reaction that can replace oxygen evolution reactions for boosting hydrogen production from hydrazine-containing wastewater.Despite Rh being expensive,only a few studies have examined its electrocatalytic mass activity.Herein,surface-limited cation exchange and electrochemical activation processes are designed to remarkably enhance the mass activity of Rh.Rh atoms were readily replaced at the Ni sites on the surface of NiOOH electrodes by cation exchange,and the resulting RhOOH compounds were activated by the electrochemical reduction process.The cation exchange-derived Rh catalysts exhibited particle sizes not exceeding 2 nm without agglomeration,indicating a decrease in the number of inactive inner Rh atoms.Consequently,an improved mass activity of 30 A mg_(Rh)^(-1)was achieved at 0.4 V versus reversible hydrogen electrode.Furthermore,the two-electrode system employing the same CE-derived Rh electrodes achieved overall hydrazine splitting over 36 h at a stable low voltage.The proposed surface-limited CE process is an effective method for reducing inactive atoms of expensive noble metal catalysts. 展开更多
关键词 cation exchange synthesis electrochemical metallization hydrazine oxidation reaction mass activity rhodium catalyst
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Chemical composition and biological activity of Houttuynia cordata
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作者 Yibo Wang Yunpeng Yang +3 位作者 Xinyao Wang Wenhan Wang Luming Pan Yu Chen 《Asian Journal of Traditional Medicines》 2024年第4期223-234,共12页
Houttuynia cordata is an important traditional Chinese medicine.It is widely used for clearing heat and detoxification,reducing swelling and treating sores,diuresis and dehumidification.It is also used to treat lung c... Houttuynia cordata is an important traditional Chinese medicine.It is widely used for clearing heat and detoxification,reducing swelling and treating sores,diuresis and dehumidification.It is also used to treat lung carbuncles,ulcers,hemorrhoids,rectal bleeding,spleen and stomach heat,which are caused by excess heat,heat toxicity,dampness,and disease heat.Modern pharmacological experiments have shown that H.cordata has antibacterial,antiviral,immune enhancing,diuretic and other effects.This article reviews the chemical components and biological activities of H.cordata to provide reference for clinical application. 展开更多
关键词 Houttuynia cordata chemical composition biological activity
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A comprehensive review on the chemical constituents,sesquiterpenoid biosynthesis and biological activities of Sarcandra glabra 被引量:1
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作者 Jin-Ning Chu Premanand Krishnan Kuan-Hon Lim 《Natural Products and Bioprospecting》 CSCD 2023年第1期30-92,共63页
Sarcandra glabra(Thunb.)Nakai is a perennial evergreen herb categorised within the Sarcandra Gardner genus under the Chloranthaceae family.Indigenous to tropical and subtropical regions of East Asia and India,this spe... Sarcandra glabra(Thunb.)Nakai is a perennial evergreen herb categorised within the Sarcandra Gardner genus under the Chloranthaceae family.Indigenous to tropical and subtropical regions of East Asia and India,this species is extensively distributed across China,particularly in the southern regions(Sichuan,Yunnan,and Jiangxi).In addition to its high ornamental value,S.glabra has a rich history of use in traditional Chinese medicine,evident through its empirical prescriptions for various ailments like pneumonia,dysentery,fractures,bruises,numbness,amenorrhea,rheumatism,and other diseases.Besides,modern pharmacological studies have revealed various biological activities,such as antitumour,anti-bacterial,anti-viral anti-inflammatory and immunomodulatory effects.The diverse chemical constituents of S.glabra have fascinated natural product researchers since the 1900s.To date,over 400 compounds including terpenoids,coumarins,lignans,flavonoids,sterols,anthraquinones,organic acids,and organic esters have been isolated and characterised,some featuring unprecedented structures.This review comprehensively examines the current understanding of S.glabra’s phytochemistry and pharmacology,with emphasis on the chemistry and biosynthesis of its unique chemotaxonomic marker,the lindenane-type sesquiterpenoids. 展开更多
关键词 Sarcandra glabra CaoShanHu Traditional Chinese medicine Lindenane-type sesquiterpenoids Biosynthetic pathway biological activities
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Synthesis of Thiadiazole Derivatives and Its Biological Activity
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作者 范望喜 潘腾 +2 位作者 张久 吴黎红 李文元 《Plant Diseases and Pests》 CAS 2010年第5期58-60,共3页
A new compound with biological activity had been synthesized by the reaction between 5-(p-chlorophenyl)-2-amino-1,3,4-thiodiazol and aroyl isocyanates.The structure of the target compound was confirmed by IR,UV,1HNM... A new compound with biological activity had been synthesized by the reaction between 5-(p-chlorophenyl)-2-amino-1,3,4-thiodiazol and aroyl isocyanates.The structure of the target compound was confirmed by IR,UV,1HNMR spectrum and elemental analysis.The biological activity tests showed that the target compound had an activity as plant growth regulator,the auxin activity was 26.1% and the cytokinin activity was 41.1%. 展开更多
关键词 1 3 4-THIADIAZOLE synthesis biological activity
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Bioactive compounds in Hericium erinaceus and their biological properties:a review
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作者 Yue Qiu Genglan Lin +4 位作者 Weiming Liu Fuming Zhang Robert J.Linhardt Xingli Wang Anqiang Zhang 《Food Science and Human Wellness》 SCIE CAS CSCD 2024年第4期1825-1844,共20页
Hericium erinaceus is a nutritious edible and medicinal fungi,rich in a variety of functional active ingredients,with various physiological functions such as antioxidation,anticancer,and enhancing immunity.It is also ... Hericium erinaceus is a nutritious edible and medicinal fungi,rich in a variety of functional active ingredients,with various physiological functions such as antioxidation,anticancer,and enhancing immunity.It is also effective in protecting the digestive system and preventing neurodegenerative diseases.In this review paper,we summarize the sources,structures and efficacies of the main active components in H.erinaceus fruiting body,mycelium,and culture media,and update the latest research progress on their biological activities and the related molecular mechanisms.Based on this information,we provide detailed challenges in current research,industrialization and information on the active ingredients of H.erinaceus.Perspectives for future studies and new applications of H.erinaceus are proposed. 展开更多
关键词 Hericium erinaceus Bioactive compounds biological activities ANTIOXIDATION NEUROPROTECTION IMMUNOREGULATION
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Synthesis,Crystal Structure and Biological Activity of N-(2,6-Difluorobenzoyl)-N'-[5-(4-trifluoromethyl-phenyl)-1,3,4-thiadiazol-2-yl]ure 被引量:4
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作者 邵宇 杨平 +2 位作者 李世荣 王发松 胡卫兵 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2011年第6期848-852,共5页
The title compound N-(2,6-difluorobenzoyl)-N'-[5-(4-trifluoromethylphenyl)-1,3,4-thiadiazol-2-yl]urea(C17H9F5N4O2S,Mr = 428.34) has been synthesized by the reaction of 2-amino-5-(4-trifluoromethylphenyl)-1,3,... The title compound N-(2,6-difluorobenzoyl)-N'-[5-(4-trifluoromethylphenyl)-1,3,4-thiadiazol-2-yl]urea(C17H9F5N4O2S,Mr = 428.34) has been synthesized by the reaction of 2-amino-5-(4-trifluoromethylphenyl)-1,3,4-thiadiazole with 2,6-difluorobenzoyl isocyanate,and its crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to monoclinic,space group P21/n with a = 10.7316(13),b = 10.5617(13),c = 16.037(2) ,β = 106.408(2)°,V = 1743.6(4) 3,Z = 4,Dc = 1.632 g/cm3,μ = 0.260 mm-1,F(000) = 864,the final R = 0.0599 and wR = 0.1420 for 3467 observed reflections with I〉 2σ(I).The urea group,which adopts a planar configuration mediated by the intramolecular N-H...O hydrogen bond,is nearly coplanar with the thiadiazole and 4-trifluoromethylbenzene rings.The title compound was found to exhibit good fungicidal activity against Rhizoctonia solani and Botrytis cinerea. 展开更多
关键词 1 3 4-thiadiazole aroylurea synthesis crystal structure biological activity
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Synthesis, Crystal Structure and Biological Activity of 1-(3-Amino-4-morpholino-1H-indazole-1-carbonyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide 被引量:3
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作者 JI Xiao-Hui ZHAO Juan +2 位作者 LU Jiu-Fu JIN Ling-Xia GE Hong-Guang 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2019年第11期1889-1894,共6页
The title compound 1-(3-amino-4-morpholino-1H-indazole-1-carbonyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide was synthesized by the condensation of 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid with 4... The title compound 1-(3-amino-4-morpholino-1H-indazole-1-carbonyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide was synthesized by the condensation of 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid with 4-morpholino-1H-indazol-3-amine.This intermediate was prepared from 2,6-difluorobenzonitrile by the condensation with morpholine and then cyclisation with hydrazine hydrate.The crystal structure of the title compound was determined to be of monoclinic system,space group P21/c with a=10.4645(13),b=17.368(2),c=13.7220(13)? and β=21.446(7)°.In addition,the compound possesses distinct effective inhibition on the proliferation of HT-29,MKN-45,K562 and A549 cell lines. 展开更多
关键词 INDAZOLE synthesis X-ray diffraction biological activity
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Synthesis, Crystal Structure and Biological Activity of a Novel Amino Acid Salt (HGly)_4[HPMo_(12)O_(40) ]_2·22H_2O 被引量:4
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作者 HAN Zheng-bo +2 位作者 CHANG Ya-ping 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2003年第1期15-19,共5页
A novel compound, (HGly) 4[HPMo 12 O 40 ] 2·22H 2O, was synthesized and characterized by means of elemental analysis, IR and X ray diffraction. The compound crystallized in a monoclinic space group ... A novel compound, (HGly) 4[HPMo 12 O 40 ] 2·22H 2O, was synthesized and characterized by means of elemental analysis, IR and X ray diffraction. The compound crystallized in a monoclinic space group Cc with a =4 0060(0 8) nm, b =1 2527(0 3) nm, c =1 9930(0 4) nm, β =96 36(3)°, V =9 940(3) nm 3, Z =2, R 1=0 0576, wR 2 =0 1746. The anti tumor activity of this compound was tested in two human tumor cell lines in vitro . 展开更多
关键词 POLYOXOMETALATE GLY Crystal structure biological activity
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Synthesis,Crystal Structure and Biological Activity of 2-(Anthracen-9-yl)-5-p-tolyl-1,3,4-oxadiazole 被引量:2
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作者 李新伟 何道航 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第3期367-372,共6页
A novel compound,2-(anthracen-9-yl)-5-p-tolyl-1,3,4-oxadiazole(C23H16N2O),has been synthesized by the condensation of 4-methylbenzohydrazide and anthracene-9-carbaldehyde in an ethanol solution with chloramine-T.T... A novel compound,2-(anthracen-9-yl)-5-p-tolyl-1,3,4-oxadiazole(C23H16N2O),has been synthesized by the condensation of 4-methylbenzohydrazide and anthracene-9-carbaldehyde in an ethanol solution with chloramine-T.The compound was characterized by 1H-NMR,13C-NMR,MS and single-crystal X-ray diffraction.The crystal belongs to the triclinic system,space group P with a = 7.7817(4),b = 8.8544(5),c = 12.4726(8) ,β = 92.8520(10)°,Z = 2,V = 826.58(8) 3,Dc = 1.352 g/cm3,Mr = 336.38,λ(MoKα) = 0.71073 ,μ = 0.084 mm-1,F(000) = 352,R = 0.0381 and wR = 0.1099.The dihedral angle between anthracene skeleton and phenyl ring is 64.19°.A total of 6354 unique reflections were collected,of which 3172 with I 〉 2σ(I) were observed.X-ray analysis indicated an offset face-to-face π-π stacking interaction between anthracene skeletons and an offset face-to-face π-π stacking interaction between phenyl ring planes.The novel compound molecules are connected through the offset face-to-face π-π stacking interactions to generate a three-dimensional network.The preliminary bioassay results showed that the novel compound exhibited significant insect growth inhibitory activity against Spodoptera litura Fabricius larvae. 展开更多
关键词 1 3 4-oxadiazole crystal structure synthesis biological activity
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Synthesis,Crystal Structure and Biological Activity of N-cyanosulfoximine Derivative Containing 1,2,3-Thiadiazole 被引量:2
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作者 毛武涛 宗广宁 +8 位作者 范志金 李凤云 宋海斌 李娟娟 Kalinina A.Tatiana Khazhieva Inna Lugovik Ksenia Morzherin Yu.Yury Belskaya P.Nataliya 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第9期1428-1433,共6页
The title compound N-cyanosulfoximine derivative containing 1,2,3-thiadiazole (C6HsN4OS2, Mr = 216.28) has been synthesized using 4-(chloromethyl)-5-methyl-1,2,3-thiadiazole as the starting material, and its struc... The title compound N-cyanosulfoximine derivative containing 1,2,3-thiadiazole (C6HsN4OS2, Mr = 216.28) has been synthesized using 4-(chloromethyl)-5-methyl-1,2,3-thiadiazole as the starting material, and its structure was characterized by IR, 1H NMR, HRMS, elemental analysis and single-crystal X-ray diffraction. The crystal of the title compound belongs to orthorhombic, space group Pna21 with a = 14.730(6), b = 5.478(2), c = 22.619(9) A, Z = 8, V = 1825.0(13) A3, Dc = 1.574 g/cm3,/a = 0.547 mm-1, F(000) = 896, R = 0.0767 and wR (I〉 2o(/)) = 0.2064. X-ray analysis indicates that in this crystal double enantiomers are found as the basically asymmetrical unit and interactions between S(1)...N(3), S(3)...N(4) and S(3)...N(7) are observed. This kind of interactions extends the molecules into a one-dimensional double chain. The preliminary biological test showed that the title compound had insecticidal activity against Myzus persicae in a certain degree and also presented moderate potential bioactivity against tobacco mosaic virus (TMV). 展开更多
关键词 1 2 3-thiadiazole SULFOXIMINE crystal structure synthesis biological activity
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Synthesis, Crystal Structure and Biological Activity of 2-(3,4-Dichloroisothiazol-5-yl)-4-(trifluoromethyl)-4,5-dihydrothiazol-4-yl-3-methylbenzoate 被引量:2
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作者 ZONG Guang-Ning LI Feng-Yun +7 位作者 FAN Zhi-Jin MAO Wu-Tao SONG Hai-Bin CHEN Lai ZHU Yu-Jie XU Jing-Hua SONG Yin-Qi WANG Jia-Ran 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第6期871-878,共8页
The title compound diethyl 2-(3,4-dichloroisothiazol-5-yl)-4-(trifluoromethyl)-4,5- dihydrothiazol-4-yl-3-methylbenzoate (C15H9C12F3N202S2, Mr = 441.26) was prepared from methyl 3,4-dichloroisothiazole-5-carboxy... The title compound diethyl 2-(3,4-dichloroisothiazol-5-yl)-4-(trifluoromethyl)-4,5- dihydrothiazol-4-yl-3-methylbenzoate (C15H9C12F3N202S2, Mr = 441.26) was prepared from methyl 3,4-dichloroisothiazole-5-carboxylate as the starting material by four steps of reaction. Its structure was characterized by IR, 1H-NMR, 13C-NMR, EA and single-crystal X-ray diffraction. The crystal of the title compound belongs to the monoclinic system, space group P2dc with a = 8.8437(18), b = 16.128(3), c = 12.305(3) A, β = 91.68(3)°, V= 1754.4(6) A3, Z = 4, Dc = 1.671 g/cm3,μ(MoKa) = 0,71073 mm^-1, F(000) = 888, R = 0.0384 and wR = 0.0778. Weak π-π interactions occur between the isothiazole rings and phenyl rings of adjacent molecules to form a one-dimensional chain and stabilize the crystal structure. Bioassay indicates that the title compound has good activity against the fungi and TMV tested. 展开更多
关键词 ISOTHIAZOLE 4 5-dihydrothiazole synthesis crystal structure biological activity
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Synthesis, Crystal Structure and Biological Activity of 1,5-Bis(4-methoxyphenyl)-3-(4-methyl-1,2,3-thiadiazol-5-yl)pentane-1,5-dione 被引量:4
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作者 毛武涛 国丹丹 +7 位作者 范志金 谷希树 宋海斌 王盾 范谦 Kalinina Tatiana Yury Yu.Morzherin Vasiliy A.Bakulev 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2013年第3期357-362,共6页
The title compound 1,5-bis(4-methoxyphenyl)-3-(4-methyl-1,2,3-thiadiazol-5-yl)-pentane-1,5-dione (C22H22N2O4S, Mr=410.49) has been synthesized by the reaction of 4-methyl-1,2,3-thiadiazole-5-carbaldehyde with 4-... The title compound 1,5-bis(4-methoxyphenyl)-3-(4-methyl-1,2,3-thiadiazol-5-yl)-pentane-1,5-dione (C22H22N2O4S, Mr=410.49) has been synthesized by the reaction of 4-methyl-1,2,3-thiadiazole-5-carbaldehyde with 4-methoxyacetophenone, and its structure was characterized by IR, 1H NMR, H RMS, elemental analysis and single-crystal X-ray diffraction. The crystal of the title compound belongs to monoclinic, space group P21/c with a=11.159(3), b=9.002(3), c=20.192(6), β=93.393(5)°, Z=4, V=2024.6(10) 3 , Dc=1.347 g/cm3 , μ=0.191 mm-1 , F(000)=864, R=0.0333 and wR (I〉2σ (I))=0.0840. In this molecule, the 1,2,3-thiadiazol ring is nearly vertical with both phenyl rings, and intermolecular weak hydrogen bonds of C-H…O and C-H…N types together with π-π stacking interactions and interactions between S(1)…N(2) are observed. The above three kinds of interactions extend the molecules into a two-dimensional layer framework. The preliminary biological test showed that the title compound had fungicidal activity. 展开更多
关键词 X-ray diffraction crystal structure synthesis 1 2 3-thiadiazole fungicidal activity
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Synthesis,Crystal Structure and Biological Activity of N-tert-butyl-N-(4-methyl-1,2,3-thiadiazole)-5-yl-N’-(4-methyl-1,2,3-thiadiazole)-5-formyl-N’-3,5-dichloropyridin-2-yl-diacylhydrazine 被引量:2
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作者 王唤 付一峰 +5 位作者 范志金 宋海斌 吴青君 张友军 Belskaya N.P. Bakulev V.A. 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2011年第3期412-416,共5页
The title compound N-tert-butyl-N-(4-methyl-1,2,3-thiadiazole)-5-yl-N'-(4-me-thyl-1,2,3-thiadiazole)-5-formyl-N'-3,5-dichloropyrid-2-yl-diacylhydrazines (C18H17Cl2N7O3S2, Mr = 514.41) has been synthesized by t... The title compound N-tert-butyl-N-(4-methyl-1,2,3-thiadiazole)-5-yl-N'-(4-me-thyl-1,2,3-thiadiazole)-5-formyl-N'-3,5-dichloropyrid-2-yl-diacylhydrazines (C18H17Cl2N7O3S2, Mr = 514.41) has been synthesized by the reaction of N-tert-butyl-N'-3,6-dichloropyridine-2-formyl hydrazine with 4-methyl-1,2,3-thiadiazole-5-carbonyl chloride and triethylamine, and its structure was characterized by 1H NMR, HR MS, and single-crystal X-ray diffraction. The crystal of the title compound belongs to monoclinic, space group C2/c with a = 27.726(8), b = 11.045(3), c = 14.507(4)A, β = 96.758(4)°, Z = 8, V = 4412(2) A^3, Dc = 1.549 g/cm^3, μ = 0.521 mm^-1, F(000) = 2112, R = 0.0405 and wR = 0.1153. X-ray analysis indicates that all rings are non-planar in this molecule. The bioassay results indicate that both the title compound and the positive control RH-5992 have weak fungicide activities, while the title compound has good insecticidal activity against Plutella xylostella L. and no insecticidal activity against Culex pipiens pallens. 展开更多
关键词 crystal structure 1 2 3-thiadiazole synthesis biological activity
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Synthesis,Crystal Structure and Biological Activity of 2-(1-(3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carbonyl)piperidin-4-yl)-N-isopropyl-1,3-thiazole-4-carboxamide 被引量:3
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作者 LI Feng-Yun ZHU Yu-Jiea +9 位作者 FAN Zhi-Jin XU Jing-Hua GUO Xiao-Feng ZONG Guang-Ning SONG Hai-Bin CHEN Lai SONG Yin-Qi QIAN Xiao-Lin MA Liu-Yong WANG Jia-Ran 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第5期659-666,共8页
The title compound 2-(1-(3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carbonyl)piperidin-4-yl)-N-isopropylthiazole-4-carboxamide(C21H22Br Cl N6O2 S,Mr = 536.04) has been synthesized,and its structure was cha... The title compound 2-(1-(3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carbonyl)piperidin-4-yl)-N-isopropylthiazole-4-carboxamide(C21H22Br Cl N6O2 S,Mr = 536.04) has been synthesized,and its structure was characterized by IR spectra,1H-NMR,13C-NMR,EA,and single-crystal X-ray diffraction.The crystal of the title compound belongs to monoclinic system,space group P/c with a = 15.146(3),b = 11.573(2),c = 26.937(5) A,β = 103.64(3)°,V = 1839.0(6) A^3,Z = 4,Dc = 1.557 g/cm^3,μ(Mo Ka) = 0.71073 mm^-1,F(000) = 2192,R = 0.0601 and w R = 0.1392.There exist one intramolecular hydrogen bond at N–H···N and four intermolecular weak interactions at O(2)···H(1),Cl(1)···H(12),O(1)···Cl(1) and S(1)···O(2).Bioassay results indicated that the title compound had good fungicidal and antiviral activities against tobacco mosaic virus. 展开更多
关键词 PYRAZOLE THIAZOLE crystal structure biological activity
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Synthesis, Crystal Structure, and Biological Activity of 4-Chlorobenzaldehyde (2-trifluoromethylTrifluoromethyl-5,6,7,8-tetrahydrobenzo[4 ,5]-thieno[2,3-d]pyrimidin-4-yl)hydrazone Monohydrate 被引量:3
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作者 杨平 王艳 +4 位作者 段正超 邵 宇 聂光华 宋新建 田大听 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2013年第7期1023-1030,共8页
The novel title compound 4-chlorobenzaldehyde (2-trifluoromethyl-5,6,7,8- tetrahydro- benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)hydrazone monohydrate (C18H14C1F3N4S.H20, Mr = 428.86) has been synthesized by a condensa... The novel title compound 4-chlorobenzaldehyde (2-trifluoromethyl-5,6,7,8- tetrahydro- benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)hydrazone monohydrate (C18H14C1F3N4S.H20, Mr = 428.86) has been synthesized by a condensation reaction of 4-chlorobenzaldehyde with (2-trifuoromethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)hydrazine, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 7.4252(7), b = 26.344(2), c = 10.3095(9) A, /3 = 109.407(2)~, V= 1902.0(3) A3, Z = 4, Dc = 1.498 g/cm^3, p = 0.356 mm-1, F(000) = 880, the final R = 0.0564 and wR = 0.1681 for 2343 observed reflections with I 〉 2o(/). X-ray diffraction analysis reveals that the title hydrazone molecule is nearly planar except for the cyclohexene and trifluoromethyl moieties. In the crystal packing, the molecules form stacks by a three-dimensional framework, which results from intermolecular N(3)-H(3)...O(1), O(1)-H(1B)...N(2), O(1)- H(1B)...N(4) and O(1)-H(1A)...F(1) hydrogen bonds via water molecules together with π-π stacking interactions. Molecular geometry of the title compound in the ground state optimized by B3LYP functional with 6-311G** basis sets indicates that the calculations are in agreement with the experimental data. The preliminary bioassay suggested that the title compound exhibits relatively good fungicidal activity against Fusarium oxysporium fsp.vasinfectum and Dothiorella gregaria. 展开更多
关键词 thieno[2 3-d]pyrimidine hydrazone TRIFLUOROMETHYL DFT calculation biological activity
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Synthesis, Structure and Biological Activity of 2-[2-(4-Fluorobenzylidene)hydrazinyl]-4-(1-methyl-1H-indol-3-yl)thieno[3,2-d]pyrimidine 被引量:3
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作者 SHI Jian-Tao GONG Yi-Lin +4 位作者 LI Jun WANG Yang CHEN Ye DING Shi LIU Ju 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2019年第9期1530-1536,共7页
The title compound 2-[2-(4-fluorobenzylidene)hydrazinyl]-4-(1-methyl-1 H-indol-3-yl)thieno[3,2-d] pyrimidine(8) was synthesized by the condensation of 4-fluorobenzaldehyde(7) with 2-hydrazinyl-4-(1-methyl-1 H-indol-3-... The title compound 2-[2-(4-fluorobenzylidene)hydrazinyl]-4-(1-methyl-1 H-indol-3-yl)thieno[3,2-d] pyrimidine(8) was synthesized by the condensation of 4-fluorobenzaldehyde(7) with 2-hydrazinyl-4-(1-methyl-1 H-indol-3-yl)thieno[3,2-d]pyrimidine(6). This intermediate was prepared from methyl 3-aminothiophene-2-carboxylate(1) by the condensation with urea, chlorination with phosphorus oxychloride and then condensation with hydrazine hydrate. The crystal of 8 belongs to monoclinic system, space group P21/c with a = 14.0453(18), b = 17.436(2), c = 18.0982(17) ? and β = 122.969(7)°. In addition, 8 possesses marked inhibition against the proliferation of human colon cancer cell line HT-29(IC50 = 6.09 μM) and human gastric cancer cell line MKN45(IC50 = 3.04 μM), displaying promising anticancer activity. 展开更多
关键词 thieno[3 2-d] PYRIMIDINE synthesis X-ray DIFFRACTION ANTITUMOR activity
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Synthesis,Crystal Structure,DFT Studies and Biological Activity of a Novel Schiff Base Containing Triazolo[4,3-a]pyridine Moiety 被引量:5
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作者 沈钟华 石延霞 +6 位作者 杨明艳 孙召慧 翁建全 谭成侠 刘幸海 李宝聚 赵卫光 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第3期457-464,共8页
The novel Schiff base(E)-8-chloro-NA-(4-(dimethylamino)benzylidene)-[1,2,4]triazolo[4,3-a]pyridine-3-carbohydrazide was synthesized and characterized by ^1H NMR,MS,elemental analysis and X-ray diffraction.The co... The novel Schiff base(E)-8-chloro-NA-(4-(dimethylamino)benzylidene)-[1,2,4]triazolo[4,3-a]pyridine-3-carbohydrazide was synthesized and characterized by ^1H NMR,MS,elemental analysis and X-ray diffraction.The compound crystallizes in the monoclinic space group P2_1/c with a = 7.091(2),b = 10.750(3),c = 21.380(6) A,β = 96.299(6)°,V = 1619.7(8) A^3,Z = 4 and R = 0.0351.Theoretical calculation of the title compound was carried out with the B3LYP/6-31 G basis set.The frontier orbital energy and atomic net charges were discussed.It is found that the experimental data show good agreement with the calculated values.And the compound exhibits good antifungal activity against Stemphylium lycopersici(Enjoji) Yamamoto. 展开更多
关键词 1 2 4-triazolo[4 3-a]pyridine hydrazine synthesis crystal structure theoretical calculation antifungal activity
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Synthesis,Crystal,Computational Study and Biological Activity of N-(1-(2,4-Dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-4-(N,N-dipropylsulfamoyl)benzamide 被引量:9
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作者 卢久富 靳玲侠 +5 位作者 葛红光 季晓晖 郭小华 田光辉 宋娟 姜敏 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2017年第11期1810-1816,共7页
The title compound N-(1-(2,4-dichlorophenyl)-1 H-pyrazolo[3,4-d]pyrimidin-4-yl)-4-(N,N-dipropylsulfamoyl)benzamide was synthesized by the condensation of 4-(dipropylsulfamoyl)benzoic acid with 1-(2,4-dichloro... The title compound N-(1-(2,4-dichlorophenyl)-1 H-pyrazolo[3,4-d]pyrimidin-4-yl)-4-(N,N-dipropylsulfamoyl)benzamide was synthesized by the condensation of 4-(dipropylsulfamoyl)benzoic acid with 1-(2,4-dichlorophenyl)-1 H-pyrazolo[3,4-d]pyrimidin-4-amine. This intermediate was prepared from 5-amino-1-(2,4-dichlorophenyl)-1 H-pyrazole-4-carbonitrile by the condensation with triethyl orthoformate and then cyclisation with ammonium hydroxide solution in tetrahydrofuran at room temperature. The crystal structure of the title compound was determined. The optimized geometric bond lengths and bond angles obtained by using density functional theory(DFT) have been compared with X-ray diffraction values. In addition, the preliminary biological test showed that the compound possesses distinct effective inhibition on the proliferation of some cancer cell lines. 展开更多
关键词 synthesis X-ray diffraction DFT biological activity
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Design, Synthesis, and Biological Activity of Novel Aromatic Amide Derivatives Containing Sulfide and Sulfone Substructures 被引量:4
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作者 Xuewen Hua Nannan Liu +5 位作者 Sha Zhou Leilei Zhana Hao Yin Guiqing Wang Zhijin Fan Yi Mac 《Engineering》 SCIE EI 2020年第5期553-559,共7页
In recent years,the damage caused by soil nematodes has become increasingly serious;however,the varieties and structures of the nematicides available on the market are deficient.Fluopyram,a succinate dehydrogenase inh... In recent years,the damage caused by soil nematodes has become increasingly serious;however,the varieties and structures of the nematicides available on the market are deficient.Fluopyram,a succinate dehydrogenase inhibitor(SDHI)fungicide developed by Bayer AG in Germany,has been widely used in the prevention and control of soil nematodes due to its high efficiency and novel mechanism of action.In this paper,two series of novel target compounds were designed and synthesized with nematicidal and fungicidal fluopyram as the molecular skeleton in order to introduce sulfide and sulfone substructures.The structures were identified and characterized by 1H nuclear magnetic resonance(NMR),13C NMR,and high-resolution mass spectrometer(HRMS).The bioassays revealed that most of the compounds showed excellent nematicidal activities at 200 lgmL-1 in comparison with fluopyram,while the nematode mortality rate dropped sharply at 100μg·mL-1,except for compounds I-11 and II-6.In terms of fungicidal activity,compound I-9 was discovered to have an excellent inhibitory rate,and a molecular docking simulation was performed that can provide important guidance for the design and exploration of efficient fungicidal lead compounds. 展开更多
关键词 synthesis Nematicidal activity Fungicidal activity Molecular docking
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