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CO oxidation on MXene(Mo_(2)CS_(2)) supported single-atom catalyst: A termolecular Eley-Rideal mechanism

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Chinese Chemical Letters 2023年第2期34卷 519-528页

作者： Shamraiz Hussain Talib Zhansheng Lu Beenish Bashir sajjad Hussain Khalil Ahmad Salahuddin Khan sajjad haider Zongxian Yang Kersti Hermansson Jun Li School of Physics Henan Normal UniversityXinxiang 453007China Department of Chemistry and Key Laboratory of Organic Optoelectronics&Molecular Engineering of Ministry of Education Tsinghua UniversityBeijing 100084China Department of Materials Science and Engineering Southern University of Science and TechnologyShenzhen 518055China School of Chemistry Minhaj UniversityLahore 54000Pakistan Department of Chemistry Mirpur University of Science and Technology(MUST)MirpurAJK 10250Pakistan College of Engineering King Saud UniversityPO Box 800Riyadh 11421Saudi Arabia Chemical Engineering Department College of EngineeringKing Saud UniversityPO Box 800Riyadh 11421Saudi Arabia Department of Chemistry-Ångström Uppsala UniversityBox 538Uppsala 75121Sweden Department of Chemistry Southern University of Science and TechnologyShenzhen 518055China

Finding transition metal catalysts for effective catalytic conversion of CO to CO_(2)has attracted much *** as a new 2D layered material of early transition metal carbides,nitrides,and carbo-nitrides is a robust support for achoring metal *** this study,the electronic structure,geometries,thermodynamic stability,and catalytic activity of MXene (Mo_(2)CS_(2)) supported single noble metal atoms (NM=Ru,Rh,Pd,Ir,Pt and Au) have been systematically examined using first-principles calculations and ab initio molecular dynamic (AIMD) ***,AIMD simulations and phonon spectra demonstrate the dynamic and thermal stabilities of Mo_(2)CS_(2)*** likely reaction pathways,LangmuirHinshelwood (LH),Eley-Rideal (ER),and Termolecular Eley–Rideal (TER) for CO oxidation on the Ru1-and Ir_(1)@Mo_(2)CS_(2)SACs,have been studied in *** is found that CO oxidation mainly proceeds via the TER mechanism under mild reaction *** corresponding rate-determining steps are the dissociation of the intermediate (OCO-Ru_(1)-OCO) and formation of OCO-Ir_(1)-OCO *** downshift d-band center of Ru1-and Ir_(1)@Mo_(2)CS_(2)help to enhance activity and improve catalytst ***,a microkinetic study predicts a maximum CO oxidation rate of 4.01×10^(2)s^(-1)and 4.15×10^(3)s^(-1)(298.15K) following the TER pathway for the Ru_(1)-and Ir_(1)@Mo_(2)CS_(2)catalysts,*** work provides guideline for fabricating and designing highly efficient SACs with superb catalyts using MXene materials.

关键词： CO oxidation Quantum chemical study 2D MXene monolayer M1@Mo_(2)CS_(2) Termolecular Eley–Rideal Single-atom catalysis

Property-performance relationship of core-shell structured black TiO_(2) photocatalyst for environmental remediation

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Frontiers of Environmental Science & Engineering 2023年第9期17卷 177-195页

作者： sajjad haider Rab Nawaz Muzammil Anjum Tahir Haneef Vipin Kumar Oad Salah Uddinkhan Rawaiz Khan Muhammad Aqif Chemical Engineering Department College of EngineeringKing Saud UniversityRiyadh 11421Saudi Arabia Department of Environmental Sciences Institute of Soil and Environmental SciencesPir Mehr Ali Shah Arid Agriculture University ShamsabadRawalpindi 46300Pakistan Centre of Innovative Nanostructures and Nanodevices(COINN) Institute of Autonomous SystemUniversiti Teknologi PETRONASBandar Seri Iskandar 32610Malaysia Civil and Environmental Engineering Department The University of Alabama in HuntsvilleHuntsvilleAL 35899USA Faculty of Civil and Environmental Engineering Gdansk University of TechnologyGdansk 80-233Poland College of Engineering King Saud UniversityRiyadh 11421Saudi Arabia Restorative Dental Sciences Department College of DentistryKing Saud UniversityRiyadh 11545Saudi Arabia Faculty of Materials and Chemical Engineering Department of Chemical EngineeringGhulam Ishaq Khan InstituteKhyber Pakhtunkhwa Topi 23460Pakistan

Understanding the relationship between the properties and performance of black titanium dioxide with core-shell structure(CSBT)for environmental remediation is crucial for improving its prospects in practical *** this study,CSBT was synthesized using a glycerol-assisted sol-gel *** effect of different water-to-glycerol ratios(W:G=1:0,9:1,2:1,and 1:1)on the semiconducting and physicochemical properties of CSBT was *** effectiveness of CSBT in removing phenolic compounds(PHCs)from real agro-industrial wastewater was *** CSBT synthesized with a W:G ratio of 9:1 has optimized properties for enhanced removal of *** has a distinct coreshell structure and an appropriate amount of Ti3+cations(11.18%),which play a crucial role in enhancing the performance of *** exposed to visible light,the CSBT performed better:48.30%of PHCs were removed after 180 min,compared to only 21.95%for TiO_(2) without core-shell *** CSBT consumed only 45.5235 kWh/m^(3) of electrical energy per order of magnitude and cost$2.4127 per unit volume of treated agro-industrial *** the conditions tested,the CSBT demonstrated exceptional stability and *** CSBT showed promising results in the treatment of phenols-containing agro-industrial wastewater.

关键词： Black TiO_(2) Core-shell structure Property-performance relationship Agro-industrial effluent Environmental remediation

Alpha Fusion Adversarial Attack Analysis Using Deep Learning

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Computer Systems Science & Engineering 2023年第7期46卷 461-473页

作者： Mohibullah Khan Ata Ullah Isra Naz sajjad haider Nz Jhanji Mohammad Shorfuzzaman Mehedi Masud Department of Computer Science National University of Modern LanguagesIslamabadPakistan Department of Computer Science COMSATS University IslamabadIslamabadPakistan School of Computer Science(SCS) Taylor’s UniversitySelangorMalaysia Department of Computer Science College of Computers and Information TechnologyTaif UniversityP.O.Box 11099Taif21944Saudi Arabia

The deep learning model encompasses a powerful learning ability that integrates the feature extraction,and classification method to improve *** Neural Networks(CNN)perform well in machine learning and image processing tasks like segmentation,classification,detection,identification,*** CNN models are still sensitive to noise and *** smallest change in training images as in an adversarial attack can greatly decrease the accuracy of the CNN *** paper presents an alpha fusion attack analysis and generates defense against adversarial *** proposed work is divided into three phases:firstly,an MLSTM-based CNN classification model is developed for classifying COVID-CT ***,an alpha fusion attack is generated to fool the classification *** alpha fusion attack is tested in the last phase on a modified LSTM-based CNN(CNN-MLSTM)model and other pre-trained *** results of CNN models show that the accuracy of these models dropped greatly after the alpha-fusion *** highest F1 score before the attack was achieved is 97.45 And after the attack lowest F1 score recorded is 22%.Results elucidate the performance in terms of accuracy,precision,F1 score and Recall.

关键词： Adversarial attack classification deep learning preturbation images

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甲醛诱导Tau蛋白形成“孔道样”聚集结构

生物化学与生物物理进展 2010年第11期37卷 1195-1203页

作者： NAQVI sajjad haider 王维山苗君叶赫荣乔中国科学院生物物理研究所脑与认知科学国家重点实验室北京100101 中国科学院研究生院北京100049 北京老年医院老年痴呆研究中心北京100095

尽管Lin等(University of California,Santa Barbara)就蛋白构象病中细胞死亡的机制提出了"非特异性淀粉样离子通道"(aspecific amyloid ion channels)学说,但到目前为止,尚未发现神经Tau蛋白能形成"孔道样"聚集结构,也未寻找到可以导... 详细信息

尽管Lin等(University of California,Santa Barbara)就蛋白构象病中细胞死亡的机制提出了"非特异性淀粉样离子通道"(aspecific amyloid ion channels)学说,但到目前为止,尚未发现神经Tau蛋白能形成"孔道样"聚集结构,也未寻找到可以导致蛋白质形成"孔道样"聚集结构的诱导剂.依据本实验室提出的"散发性老年痴呆发生发展中的内源性甲醛慢性损伤"假说,采用一定浓度的甲醛与Tau蛋白进行温育,观察到甲醛可以明显诱导Tau蛋白分子聚集并形成淀粉样沉积物,同时也观察到了Tau蛋白"孔道样"聚集结构.上述结果为探索甲醛诱导Tau蛋白错误折叠形成的产物导致细胞代谢障碍和死亡的机制提供了新的研究思路.

关键词： Tau蛋白甲醛错误折叠 “孔道样”聚集物神经退行性疾病慢性损伤散发性老年痴呆

Thickness-dependent monochalcogenide GeSe-based CBRAM for memory and artificial electronic synapses

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Nano Research 2022年第3期15卷 2263-2277页

作者： Asif Ali haider Abbas Muhammad Hussain Syed Hassan Abbas Jaffery sajjad Hussain Changhwan Choi Jongwan Jung HMC(Hybrid Materials Center)and Department of Nanotechnology and Advanced Materials Engineering Sejong UniversitySeoul 143–747Republic of Korea Division of Materials Science and Engineering Hanyang UniversitySeoul 04763Republic of Korea

Investigating the promising chalcogenide materials for the development of memory and advanced neuromorphic computing applications is a critical step in realizing electronic memory and synaptic devices that can efficiently emulate biological synaptic ***,the assessment of monochalcogenide materials for the fabrication of highly scalable memory and electronic synaptic devices that can accurately mimic synaptic functions remain *** the present study,we investigated the thickness-dependent resistive switching(RS)behavior of conductive bridge random access memory(CBRAM)based on a monochalcogenide GeSe switching medium for its possible application in high-performance memory and electronic *** thin films of different thicknesses(6,13,24,35,47,and 56 nm)were deposited via sputtering to fabricate CBRAM devices with a stacking sequence of Ag/GeSe/Pt/Ti/SiO_(2).The devices exhibited compliance current(CC)-free and electroforming-free RS with highly stable endurance and retention characteristics with no major *** devices with a thickness of 6 nm had a low-resistance state(LRS),which required an initial reset to ensure reliable switching *** devices with a thickness of 47 nm and above exhibited the co-existence of unipolar resistive switching(U-RS)and bipolar resistive switching(B-RS)with the CC-controlled transition between the two switching *** resistance states in the 24-nm device between a high-resistance state(HRS)and an LRS were achieved by controlling the set-CC(from 5 mA to CC-free)and the reset stop voltage(from–0.5 to–1.0 V)during the set and reset processes,*** analog RS behavior of the device was further investigated with appropriate pulse measurements to emulate vital synaptic functions,including long-term potentiation(LTP),long-term depression(LTD),spike-rate-dependent plasticity(SRDP),spike-timing-dependent plasticity(STDP),paired-pulse facilitation(PPF),paired-pulse depression(PPD)and

关键词： conductive bridge random access memory(CBRAM) resistive memory switching monochalcogenide material bipolar and unipolar resistive switching multilevel resistive switching electronic synapses

Spectrum of Diseases, Disease Related Mortality and Overall Financial Burden of Hospitalized Patients in Medical Wards of Tertiary Care Public Hospital

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Open Journal of Epidemiology 2017年第4期7卷 337-348页

作者： Iftikhar haider Naqvi Khalid Mahmood Abu Talib Syed Muhammad Kashif Ali sajjad Department of Medicine Dow University of Health Sciences Karachi Pakistan

Background: Detailed assessment of pattern of diseases and trend of mortalities tends to aid in formulating pivotal aspects of in-hospital policies, standards of care and so consequently promoting efficient work system. This also reserves limited resources keeping within the limit of financial grasp. The study aims to reimburse the colossal paucity of data covering epidemiological burden of diseases, impact on mortality as well as financial burden in socioeconomically challenged public health system. Methods: This was a retrospective cross-sectional hospital based study conducted in department of Medicine, Civil Hospital Karachi, from February 2016 to July 2016 using questionnaire based data collection system. Results: Eight thousand and fifty three (8053) cases with almost equal gender proportion were analyzed. Chronic liver disease (CLD) was the most rampant disease, followed by cerebrovascular accident (CVA), tuberculosis and diabetes. Overall 51% cases were attributed to infectious diseases. Overall the average percentage mortality was found to be 20% of all cases. Mean duration of stay was 7.56 ± 7 days. Estimated average total in-hospital expenditure per patient on each visit or stay was 159.15 ± 41.2 $USD (16670.96 ± 4315.7 PKR). Average total diagnostic and medications costs per visit or stay were 89.74 ± 31.2 $USD (9400.26 ± 3268.2 PKR) and 48.68 ± 18.0 $USD (5099.23 ± 1885.5 PKR) respectively. Conclusion: Chronic liver disease, cerebrovascular accident and diabetes were most frequent reasons of hospital admission and mortality. Recognition of most common and fatal diseases with their expenditure is going to lead to formulation of targeted policies both of which would be effective and efficient.

关键词： Communicable Diseases Mortality Health Economics Epidemiology Infectious Diseases