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Journal of Environmental Sciences 2015年第11期27卷 51-58页

作者： Azhar Abbas muhammad Ajaz Hussain muhammad Amin muhammad Sher muhammad nawaz tahir Wolfgang Tremel Department of Chemistry University of Sargodha Institute of Inorganic and Analytical Chemistry Johannes Guttenberg University

Chemically modified pullulan was evaluated for its sorption efficiency and selectivity to remove cadmium（Cd） from spiked high-hardness groundwater（GW）. Pullulan esterified with succinic anhydride using dimethylaminopyridine showed a fairly high degree of substitution value as confirmed by1 H NMR spectroscopy. Pullulan succinate（Pull-Suc） was converted into the sodium salt（Pull-Suc-Na）. The effect of contact time（5–200 min） and p H（2–8） on Cd-uptake by the sorbent（Pull-Suc-Na） was investigated. The sorbent showed more than 90% Cd-removal in first 15 min from distilled water（DW） and GW solution,respectively. Comparison of Pull-Suc-Na with other polysaccharidal sorbents suggested its high efficiency（DW 476.2 mg/g and GW 454.5 mg/g） and selectivity for the removal of Cd by an ion exchange mechanism, which is further supported by the negative Gibbs free energy values calculated from Langmuir isotherms. A Langmuir isotherm kinetic model provided the best fit for the sorption of Cd using Pull-Suc-Na. The sorbent showed a negligible decrease in Cd-uptake over three regeneration cycles. The thermal stability testing of the sorbents indicated that Pull-Suc-Na（sorbent） is more stable than Pull-Suc.

关键词： Adsorption Cadmium Modified pullulan Succinylation Thermal stability

UV Assisted Preliminary DNA Binding Studies and Single-crystal X-ray Structure of 4-{(4-Nitrophenyl-sulfonamido)methyl}cyclohexanecarboxylic Acid

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Chinese Journal of Structural Chemistry 2017年第5期36卷 745-750页

作者： muhammad Danish RABIA Ayub Butt muhammad nawaz tahir muhammad Ashfaq SYEDA tahira Hafeez Department of Chemistry University of GujratGujrat 50700Pakistan Department of Physics University of SargodhaSargodhaPakistan

A new sulfonamide, 4-{（4-nitrophenylsulfonamido）methyl}cyclohexanecarboxylic acid（C14H18N2O6S）, has been synthesized by the reaction of tranexamic acid and 4-nitrobenzenesulfonyl chloride in basic medium at room temperature. The molecular structure was determined by FT-IR, NMR, elemental analysis and single-crystal X-ray technique. X-ray diffraction shows that the compound crystallizes in the monoclinic system, space group P21/c with a = 13.5980（7）, b = 4.9877（2）, c = 23.3878（13） A, β = 93.254（3）°, Z = 4, V = 1583.67（14） A3, μ = 0.237 mm-1, F（000） = 720, R = 0.0471 and w R = 0.1182. The molecules are related by inversion and paired into dimers via C–H…O interactions. The dimmers are interlinked due to strong N–H…O bonds, where O-atoms are of sulfonyl groups. The molecules are stabilized in the form of infinite two-dimensional network with base vectors [0 1 0] and [0 0 –1] in the plane（1 0 2）. The existence of good intermolecular interactions suggests the biological importance of the synthesized molecule. The compound was screened for its interaction with FS-DNA using UV-visible spectroscopy. UV-visible spectroscopic results depict that the compound interacts with DNA by mixed binding mode intercalation along with hydrogen bonding. Negative values of ΔG（–23.34, –17.79 k J·mol-1） indicate spontaneity of the compound-DNA adduct formation.

关键词： sulfonamide tranexamic acid 4-nitrobenzenesulfonyl chloride XRD FS-DNA,intercalation

Synthesis and Single Crystal X-ray Studies of 3-(3,5-Bis(trifluoromethyl)phenyl) Quinoline and 3-(4-Fluoro-3-methylphenyl) Quinoline

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Chinese Journal of Structural Chemistry 2014年第1期33卷 90-96页

作者： Malik Aman Ullah muhammad Adeel muhammad nawaz tahir muhammad Raza Shah Irfan Ullah Department of Chemistry Gomal University Department of Physics University of Sargodha ICCBS HEJ Research Institute of ChemistryUniversity of Karachi

The title compounds 3-（3,5-bis（trifluoromethyl）phenyl）quinoline （1） and 3-（4- fluoro-3-methylphenyl）quinoline （2） were synthesized through Suzuki-Miyaura Cross coupling reaction of 3-bromoquinoloine with aryl boronic acids. The title compounds were characterized by single-crystal X-ray diffraction, 1H NMR, 13C NMR, El-MS, elemental analysis and IR. The crystals of 3-（3,5-bis（trifluoromethyl）phenyl）quinoline （C17H9F6N, Mr = 341.25） belongs to the monoclinic system, space group P21n, a = 12.3072（13）, b = 4.9378（6）, c = 24.493（2） A, V= 1473.1（3） A3, Z = 4, Dc = 1.539 Mg m-3, 2 - 0.71073A, μ = 0.144 mm^-1, F（000） = 688, the final R = 0.0715 and wR = 0.1873 for 1875 obserwed reflections with I 〉 2σ（I） and the crystal of 3-（4-fluoro-3- methylphenyl）quinoline （C16H12FN, Mr= 237.27） belongs to the orthorhombic system, space group Pca21, a = 23.794（2）, b = 3.9094（3）, c = 25.669（2） A, V = 2387.7（4） A3, Z = 8, D, = 1.320 Mg m-3, 2 = 0.71073 A, μ = 0.088 mm-1, F（000） = 992, the final R = 0.0534 and wR = 0.1188 for 2270 observed reflections with I 〉 2σ（I）.

关键词： 3-bromoquinoline crystal structure Pd(PPh3)3 boronic acid suzuki coupling

One-pot Synthesis,Crystal Structures and Antimicrobial Activities of Two New 1,4-Disubstituted 1,2,3-Triazole-4-Carboxylates

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Chinese Journal of Structural Chemistry 2015年第1期34卷 26-32页

作者： muhammad Naeem Ahmed KHAWAJA Ansar Yasin muhammad nawaz tahir IFZAN Arshad MURTAZA Madni Department of Chemistry The University of Azad Jammu and Kashmir University of Sargodha Department of Physics Department of Chemistry Quaid-i-Azam University

Two new 1,4-disubstituted 1,2,3-triazoles-4-carboxylates were synthesized via click reaction. Compound 1a was synthesized by the interaction of 6-nitro-tetrazolo[1.5-a]-pyridine with ethyl propynoate at room temperature in the presence of Cu（OAc）2 as a catalyst and THF as solvent. Compound 1b was also synthesized by the same manner except that tert-butyl propionate, instead of ethyl propynoate, was used. The compounds were characterized by IR, 1H-NMR, 13C-NMR and single-crystal X-ray diffraction analysis. Compound 1a（C10H9N5O4） crystallizes in the triclinic system, space group P1 with a = 5.0894（9）, b = 8.9834（13）, c = 13.089（2）？, α= 83.041（7）, β= 80.256（7）, γ=87.296（8）°, V = 585.24（16）？3, Z = 2, Mr = 263.22, crystal size（mm） = 0.37 × 0.20 ×0.18,（I 〉 2σ（I）） = 8557, 2493, 1229, Rint = 0.057. Compound 1b（C12H13N5O4） crystallizes in the monoclinic system, space group P21/c with a = 6.8854（5）, b = 21.783（2）, c = 9.3986（8）？,β = 93.239（4）°, V = 1407.4（2）？3, Z = 4, Mr = 291.27, crystal size（mm） = 0.38 × 0.22 × 0.20,（I 〉 2σ（I）） = 11842, 3172, 1866, Rint = 0.047. Antimicrobial assay results showed that the title compounds display excellent activities to different bacterial and fungal strains.

关键词： click reaction triazoles crystal structure antimicrobial activity

Synthesis, Crystal Structure and DNA Interaction Study of 3-(2-(3,5-Diphenyl-4,5-dihydropyrazol-1-yl)thiazol-4-yl)-2H-chromen-2-one

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Chinese Journal of Structural Chemistry 2015年第7期34卷 1013-1018页

作者： MURTAZA Madni SHAHID Hameed muhammad Naeem Ahmed KHAWAJA Ansar Yasin muhammad nawaz tahir Department of Chemistry Quaid-i-Azam University Department of Chemistry The University of Azad Jammu and Kashmir University of Sargodha Department of Physics

A new compound 3-（2-（3,5-diphenyl-4,5-dihydropyrazol-1-yl）thiazol-4-yl）-2Hchromen-2-one was synthesized by cyclocondensation of 3,5-diphenyl-4,5-dihydropyrazole-1-carbothioamide with 3-（2-bromoacetyl）-2H-chromen-2-one in ethanol at reflux for 2hrs. The compound was characterized by IR, 1H-NMR, 13C-NMR and single-crystal X-ray diffraction analysis. The newly synthesized compound（C27H19N3O2S） crystallizes in the triclinic system, space group P1 with a = 5.2476（6）, b = 18.289（2）, c = 23.115（3） , α = 93.546（7）, β = 94.715（6）, γ = 92.347（7）°, V = 2204.3（4）3, Z = 4, Mr = 449.51, crystal size = 0.38 mm × 0.22 mm × 0.16 mm,（I 2σ（I）） = 35317, 9736, 3785, Rint = 0.081,（Δρ）max = 0.19 and（Δρ）min = –0.24 e·-3. DNA interaction studies revealed that the target compound strongly interacts with DNA through an intercalation binding mode and the binding constant of the compound is 7.45 × 104 M-1.

关键词： binding constant DNA Interaction crystal structure cyclocondensation reaction 1 3-thiazole

Structure Elucidation and Biological Screening of Bis(4-{[(E)-(2-Hydroxybenzylidene)amino]methyl}-cyclohexane-carboxylato-O)-triaqua-cadmium

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Chinese Journal of Structural Chemistry 2018年第6期37卷 871-877页

作者： muhammad Danish SABA Akbar muhammad nawaz tahir muhammad Naeem Ahmed RABIA Ayub Butt muhammad Asam Raza muhammad Ashfaq Department of Chemistry University of Gujrat Department of Physics University of Sargodha Department of Chemistry University of Azad Jammu and Kashmir

Using a bidentate ligand, a Schiff base 4-（{[（Z）-（2-hydroxyphenyl）methyldene]amino}methyl）cyclohexanecarboxylic acid, complex I（ML2, where M = Cd（Ⅱ）） was synthesized and characterized by IR spectroscopy and X-ray crystallography. It crystallizes in monoclinic system, space group C2/c, M_r = 685.04, 0.34 mm × 0.26 mm × 0.14 mm, a = 54.050（3）, b = 6.1220（3）, c = 9.5081（5） A, β = 90.229（2）°, Z = 4, C_（30） H_（40） CdN_2 O_9 and V = 3146.2（3） A^3. Complex I was screened for its bactericidal activity against four bacterial strains Chromohalobactersalexigens, Chromohalobacterisraelensis, Halomonashalofila and Halomonassalina and fungicidal activity against Aspergillusnigerand Aspergillusflavus. Antimicrobial activity results showed that the synthesized complex displayed good anti-fungal activity against two fungal strains. It was found to be inactive against four different bacterial strains analyzed and was negative for bactericidal effect.

关键词： Schiff base tranexamic acid Cd XRD fungicidal activity bactericidal activity

4-((4-Chlorophenylsulfonamido)methyl)cyclohexanecarboxylic Acid： Synthesis, Crystal Structure and Biological Activities

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Chinese Journal of Structural Chemistry 2017年第8期36卷 1307-1314页

作者： muhammad Danish RABIA Ayub Butt muhammad nawaz tahir muhammad Ashfaq SYEDA tahira Hafeez muhammad Naeem Ahmed HALEEMA Qureshi Department of Chemistry University of Gujrat Gujrat 50700 Pakistan Department of Physics University of Sargodha Sargodha Pakistan Department of Chemistry University of Azad Jammu and Kashmir Muzaffarabad 13100 Pakistan

In this study, a novel 4-（（4-chlorophenylsulfonamido）methyl）cyclohexanecarboxylic acid（C（14）H（18）ClNO4S） was synthesized by the reaction of tranexamic acid and 4-chlororbenzene sulfonyl chloride in basic medium at room temperature. The molecular structure was determined by FT-IR, NMR, elemental analysis and single-crystal X-ray analysis. The compound crystallizes in the monoclinic system, space group P21/c with a = 12.3120（11）, b = 16.5987（19）, c = 7.6873（7）？, β = 90.495（6）o, Z = 4 and V = 1570.9（3）？~3, crystal size（mm） = 0.38 × 0.16 × 0.14 and Rint = 0.045. In this compound, the carboxylic acid A（O（1）/C（1）/C（2）） and the sulfonyl B（O（3）/S（1）/O（4）） moieties are of course planar. The molecules are dimerized due to the O–H…O type of H-bonding with the R22（8） ring motifs. The dimmers are interlinked through C–H…O and N–H…O types of H-bonding. The synthesized compound was screened against four bacterial and two fungal strains and inactive against all strains. Antioxidant activity was checked against DPPH. Enzyme inhibition activity was carried out using three different enzymes and the title compound was more potent α-chymotrypsin inhibitor.

关键词： sulfonamide tranexamic acid 4-chlorobenzenesulfonyl chloride XRD biological applications

Synthesis, Crystal Structure and Antimicrobial Activity of Ethyl 2-(1-cyclohexyl-4-phenyl-1H-1,2,3-triazol-5-yl)-2-oxoacetate

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Chinese Journal of Structural Chemistry 2014年第11期33卷 1666-1672页

作者： muhammad Naeem Ahmed SHAHID Hameed KHAWAJA Ansar Yasin IFZAN Arshad IHSAN-ul-Haq SAFEENA Zafar muhammad nawaz tahir Department of Chemistry The University of Azad Jammu and Kashmir Department of Chemistry Quaid-i-Azam University Department of Pharmacy Faculty of Biological SciencesQuaid-i-Azam University University of Sargodha Department of Physics

A novel 1,4,5-trisubstituted 1,2,3-triazole（C18H21N3O3） was synthesized by a one-pot three component reaction of 1-azidocyclohexane, 1-copper（I） phenylethyne and ethoxalyl chloride at room temperature. The molecular structure was determined by single-crystal X-ray analysis. The compound crystallizes in the monoclinic system, space group P21/n with a = 12.8167（9）, b = 8.0966（6）, c = 16.7079（9） A, β = 98.716（2）°, Z = 4 and V = 1713.8（2）. In the crystal, the molecules are related by inversion and paired into dimers via C–H…O and C–O…C interactions involving（oxo） acetate groups. Furthermore, X-ray analysis results are compared with the optimized structure computed by using B3 LYP method with 6-311 G basis set. The calculated results showed that optimized geometry can well reproduce the crystal structure parameters. The bioassay results indicate that the compound has good antibacterial and antifungal activities.

关键词： click chemistry triazole cyclohexyl oxoacetate XRD antimicrobial

Vibrations of FGM thin cylindrical shells with exponential volume fraction law

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Applied Mathematics and Mechanics(English Edition) 2009年第5期30卷 607-615页

作者： Abdul Ghafar Shah tahir Mahmood muhammad nawaz Naeem Department of Mathematics The Islamia University of Bahawalpur Department of Mathematics Government College University

In this paper, the influence of an exponential volume fraction law on the vibration frequencies of thin functionally graded cylindrical shells is studied. Material properties in the shell thickness direction are graded in accordance with the exponential law. Expressions for the strain-displacement and curvature-displacement relationships are taken from Love＇s thin shell theory. The Rayleigh-Ritz approach is used to derive the shell eigenfrequency equation. Axial modal dependence is assumed in the characteristic beam functions. Natural frequencies of the shells are observed to be dependent on the constituent volume fractions. The results are compared with those available in the literature for the validity of the present methodology.

关键词： functionally graded material (FGM) vibration cylindrical shell Rayleigh- Ritz method exponential volume fraction law

Nicotine induced hepatotoxicity and its prevention with date palm pit powder

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应用与环境生物学报 2015年第3期21卷 489-493页

作者： Bushra Munir Mohammad tahir Sobia Munir muhammad nawaz Chaudhry Abdul Qadir College of Earth and Environmental Sciences University of the Punjab University of Health Sciences Khayaban-e-Jamia Punjab

Cigarette smoking is common in societies worldwide and has been identifi ed as injurious to human health. Nicotine is the most abundant component in the cigarette smoke. It is fi rst metabolized in the liver. The natural diet contains a variety of compounds, such as date palm(Phoenix dactylifera L.). It exhibits protective effect against different toxins. The aims of present study were to investigate the damaging effects of nicotine on the liver and the preventive role of date palm against such damage. Date palm pit powder was used to study its protective effect on nicotine induced hepatotoxicity. Three groups of adult male albino mice were used, each containing eight animals. Group A served as a control; Group B was used as an experimental group treated with nicotine(0.3 mg/kg) intraperitoneally for forty-fi ve days; Group C received nicotine(0.3 mg/kg) intraperitoneally along with date palm pit powder(500 mg/kg) orally for forty-five days. Histopathological examination revealed that the general architecture was damaged with increase in size of hepatocytes, central vein and number of fat vacuoles and periportal infiltration of lymphocytes. The nicotine treated mice showed decreased level of cytoplasmic vacuolization, necrosis and infl ammation. Date palm pit powder administration to nicotine-treated mice showed reversion of the damaged feature to nearly normal. These results along with previous study suggest that date palm pit powder is useful in combating nicotine induced hepatotoxicity.

关键词：环境生物学应用 ANOVA