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Synthesis and Structural Investigations of New 4-Hexyl-1-(4-nitrophenyl)-1-H-1,2,3-triazole:An Experimental and Theoretical Insight

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Chinese Journal of Structural Chemistry 2015年第12期34卷 1830-1840页

作者： muhammad Naeem Ahmed KHAWAJA Ansar Yasin TARIQ Mahmood FATIMA Wasim muhammad haleem khan M.NAWAZ Tahir SAFEENA Zafar SHAISTA Anjum Department of Chemistry The University of Azad Jammu and Kashmir Department of Chemistry COMSATS Institute of Information Technology Department of Chemistry Women University Bagh Azad Kashmir Department of Physics University of Sargodha

The title compound, 4-hexyl-1-（4-nitrophenyl）-1-H-1,2,3-triazole （CI4HIsN402）, was synthesized using one-pot strategy via click reaction and the structure was characterized mainly by single-crystal X-ray diffraction, NMR, FT-IR and MS. C14H18N4O2 was crystallized from an EtOH/EtOAc solution in triclinic system, space group PI, with a = 5.3679（3）, b = 7.5499（5）, c = 17.5534（11） A, a = 92.360（4）, β = 90.359（4）, γ = 98.864（4）°, V （A3） = 702.24（8）, Z = 2, crystal size （mm） = 0.42 × 0.26 × 0.18, Rint = 0.096. Packing diagram indicates that there is dimeric interaction between two units via N（3）...H（6）. The crystal structure of the title compound （1） is stabifized by intermolecular interactions. In addition, X-ray analys!s also reveals C-H…π and π-π interactions in the molecule. Theoretical investigations were performed by using Gaussian 09 software at the B3LYP/6, 31G （d,p）level of density,finctional theory （DFT）.to compare the theoretical results with the experimental and to probe structural properties. The molecular electrostatic potential （MEP） mapped over the entire stabilized geometry of the molecule indicated their chemical reactivities. Furthermore, frontier molecular orbital （electronic properties） was computed at the same level of DFT as used. forenergy minima structure.

关键词： click chemistry disubstituted triazole X-ray DFT MEP frontier molecurar orbital

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Analysis of cerium substitution in Co-Sr based spinel ferrites for high frequency application

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Journal of Rare Earths 2024年第9期42卷 1755-1763,I0005页

作者： Laura Khudaysh Inas A.Ahmed Syeda Rabia Ejaz Sajjad Ahmad khan Yasir A.haleem Mohamed M.Ibrahim Mahmood Ali Hafiz muhammad Tahir Farid Zeinhom M.El-Bahy Department of Physics Faculty of ScienceJazan UniversityJazan45142Saudi Arabia Department of Chemistry Faculty of ScienceKing Khalid UniversityAbha62224Saudi Arabia Department of Physics The Government Sadiq College Women UniversityBahawalpur63100Pakistan Institute of Physics Khwaja Fareed University of Engineering and Information TechnologyRahim Yar Khan64200Pakistan Department of Chemistry College of ScienceTaif UniversityP.O.Box 11099Taif21944Saudi Arabia Centre of Excellence in Solid State Physics University of the PunjabLahorePakistan Department of Physics Government CollegeTaunsa Sharif32200Pakistan Department of Chemistry Faculty of ScienceAl-Azhar UniversityNasr City11884CairoEgypt

Spinel ferrites exhibit exceptional magnetic properties,making them a distinctive class of magnetic *** sol-gel technique was utilized for the synthesis of spinel ferrites with the chemical formula Co_(0.6)Sr_(0.4)Ce_(x)Fe_(2-x)O_(4). Following that,a comprehensive X-ray diffraction analysis unveiled the crystalline cubic structure of the synthesized *** the utilization of the M-H loop approach,the ferromagnetic attributes of ferrites were assessed,and the assimilation of rare earth elements led to substantial enhancements in saturation magnetization,remanence,and *** ferrites with a high concentration of rare earth elements have improved direct current resistivity and activation *** logarithm of a material's resistance increased from 5.29 to 8.12 Ω·cm as cerium is *** a change in the amount of cerium,the activation energy goes up from 0.19 to *** changing the frequency from 5.5 to 9.5 GHz,the dielectric characteristics were *** the frequency goes up,the dielectric constant goes *** ferrites that have been made better in every way can be used in high-frequency applications.

关键词： Activation energy DC electrical resistance Remanence magnetization Cobalt strontium spinel ferrites High frequency application Rare earths

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EfficientNet-Based Robust Recognition of Peach Plant Diseases in Field Images

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Computers, Materials & Continua 2022年第4期71卷 2073-2089页

作者： haleem Farman Jamil Ahmad Bilal Jan Yasir Shahzad muhammad Abdullah Atta Ullah Department of Computer Science Islamia College Peshawar25120Pakistan Department of Computer Science FATA University Kohat26100Pakistan Department of Computer Science University of Peshawar25120Pakistan Agriculture Research Institute MingoraSwat19130Pakistan

Plant diseases are a major cause of degraded fruit quality andyield losses. These losses can be significantly reduced with early detection ofdiseases to ensure their timely treatment, particularly in developing *** this regard, an expert system based on deep learning model where the expertknowledge, particularly the one acquired by plant pathologist, is recursivelylearned by the system and is applied using a smart phone application for use inthe target field environment, is being proposed. In this paper, a robust diseasedetection method is developed based on convolutional neural network (CNN),where its powerful features extraction capabilities are leveraged to detectdiseases in images of fruits and leaves. The features extraction pipelines ofseveral state-of-the-art pretrained networks are fine-tuned to achieve optimaldetection performance. A novel dataset is collected from peach orchards andextensively augmented using both label-preserving and non-label-preservingtransformations. The augmented dataset is used to study the effects of finetuning the pretrained networks’ feature extraction pipeline as opposed tokeeping the network parameters unchanged. The CNN models, particularlyEfficientNet exhibited superior performance on the target dataset once theirfeature extraction pipelines are fine-tuned. The optimal model is able toachieve 96.6% average accuracy, 90% sensitivity and precision, and 98%specificity on the test set of images.

关键词： Peach diseases EfficientNet data augmentation transfer learning

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Countrywide Survey for MERS-Coronavirus Antibodies in Dromedaries and Humans in Pakistan

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Virologica Sinica 2018年第5期33卷 410-417页

作者： Ali Zohaib muhammad Saqib muhammad Ammar Athar Jing Chen Awais-ur-Rahman Sial Saeed khan Zeeshan Taj Halima Sadia Usman Tahir muhammad haleem Tayyab muhammad Asif Qureshi muhammad Khalid Mansoor muhammad Ahsan Naeem Bing-Jie Hu Bilal Ahmed khan Ikram Din Ujjan Bei Li Wei Zhang Yun Luo Yan Zhu Cecilia Waruhiu Iahtasham khan Xing-Lou Yang muhammad Sohail Sajid Victor Max Corman Bing Yan Zheng-Li Shi CAS Key Laboratory of Special Pathogens and Biosafety Wuhan Institute of VirologyChinese Academy of SciencesWuhan 430071China University of Ctunese Academy of Sciences Beijing 100049China Faculty of Veterinary Medicine University of AgricultureFaisalabad 38040Pakistan Laboratory of Cancer Biomarkers and Liquid Biopsy College of PharmacyHenan UniversityHenan 475004China Department of Clinical Studies Faculty of Veterinary and Animal SciencesPMAS-Arid Agriculture UniversityRawalpindi 46000Pakistan Dow University of Health Science Pakistan Karachi 74200 Department of Microbiology Government College University FaisalabadFaisalabad 38000Pakistan Livestock and Dairy Development Department(L&DD) Lahore 54000Pakistan College of Veterinary and Animal Sciences The Islamia University of BahawalpurBahawalpur 63100Pakistan State Key Laboratory of Agricultural Mlcroblology Huazhong Agricultural UniversityWuhan 430070China Liaqat University of Medical and Health Science Pakistan Jamshoro 76090 Section of Epidemiology and Public Health Department of Chnical SciencesUniversity of Veterinary and Animal SciencesLahore subcampusJhang 35200Pakistan Institute of Virology Chadte-Universitatsmedizin BerlinCorporate member of Free UniversityHumboldt-University and Berlin Institute of HealthBerlin 10117Germany German Center for Infection Research(DZIF) Berlin 10117Germany

Middle East Respiratory Syndrome Coronavirus (MERS-CoV) is a zoonotic pathogen capable of causing severe respiratory disease in humans. Although dromedary camels are considered as a major reservoir host, the MERS-CoV infection dynamics in camels are not fully understood. Through surveillance in Pakistan, nasal (n = 776) and serum (n = 1050)samples were collected from camels between November 2015 and February 2018. Samples were collected from animal markets, free-roaming herds and abattoirs. An in-house ELISA was developed to detect IgG against MERS-CoV. A total of 794 camels were found seropositive for MERS-CoV. Prevalence increased with the age and the highest seroprevalence was recorded in camels aged [ 10 years (81.37%) followed by those aged 3.1–10 years (78.65%) and B 3 years (58.19%).Higher prevalence was observed in female (78.13%) as compared to male (70.70%). Of the camel nasal swabs, 22 were found to be positive by RT-qPCR though with high Ct values. Moreover, 2,409 human serum samples were also collected from four provinces of Pakistan during 2016–2017. Among the sampled population, 840 humans were camel *** we found a high rate of MERS-CoV antibody positive dromedaries (75.62%) in Pakistan, no neutralizing antibodies were detected in humans with and without contact to camels.

关键词： Middle East Respiratory Syndrome Coronavirus (MERS-CoV) Camel -Human Pakistan

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