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Exploring single atom catalysts of transition-metal doped phosphorus carbide monolayer for HER:A first-principles study

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Journal of Energy Chemistry 2021年第1期30卷 155-162,I0006页

作者： Dachang Chen Zhiwen Chen Xiaoxing Zhang Zhuole Lu Song Xiao Beibei Xiao chandra veer singh School of Electrical Engineering and Automation Wuhan UniversityWuhan 430072HubeiChina Department of Materials Science and Engineering University of TorontoToronto M5S 3E4OntarioCanada Department of Mechanical and Industrial Engineering University of TorontoToronto M5S 3G8OntarioCanada Hubei Key Laboratory for High-efficiency Utilization of Solar Energy and Operation Control of Energy Storage System Hubei University of TechnologyWuhan 430068HubeiChina School of Energy and Power Engineering Jiangsu University of Science and TechnologyZhenjiang 212003JiangsuChina

Hydrogen has been identified as one of the most promising sustainable and clean energy. Developing hydrogen evolution reaction(HER) catalyst with high activity is essential for satisfying the future requirements. Considering novel advantages of two-dimensional materials and high catalytic activity of atomic transition metal, in this study, using density functional theory calculation, the HER on single transitionmetal(23 different TM atoms) doped phosphorus carbide monolayer(α-PC) has been investigated. The Volmer–Tafel and Volmer–Heyrovsky reaction mechanisms, and the stability of the most promising HER catalyst are also included. The results show that Ir-αPC with high physical and thermal stability has the most optimal value of Gibbs free adsorption energy for H atom. The relationship of d band center and the HER activity shows a volcano-like curve. The calculation of reaction energy barrier indicates that the Volmer-Heyrovsky step is more favorable than the Volmer-Tafel step.

关键词： Hydrogen evolution reaction Phosphorus carbide monolayer Transition-metal doping Density functional theory

Structurally ordered high-entropy intermetallic nanoparticles with enhanced C–C bond cleavage for ethanol oxidation

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SmartMat 2023年第1期4卷 106-115页

作者： Dongdong Wang Zhiwen Chen Yujie Wu Yu-Cheng Huang Li Tao Jun Chen Chung-Li Dong chandra veer singh Shuangyin Wang State Key Laboratory of Chemo/Bio-Sensing and Chemometrics Advanced Catalytic Engineering Research Center of the Ministry of EducationCollege of Chemistry and Chemical EngineeringHunan UniversityChangshaHunanChina Department of Materials Science and Engineering University of TorontoTorontoOntarioCanada Department of Physics Research Center for X-Ray ScienceTamkang UniversityNew Taipei CityChina ARC Centre of Excellence for Electromaterials Science Intelligent Polymer Research Institute(IPRI)Australian Institute of Innovative Mate-rials(AIIM)University of WollongongWollongongNew South WalesAustralia

Efficient ethanol oxidation reaction(EOR)is challenging due to the multiple reaction steps required to accomplish full oxidation to CO_(2) in fuel *** materials with the adjustable composition and unique chemical structure provide a large configurational space for designing high-performance ***,a new class of structurally ordered PtRhFeNiCu high-entropy intermetallics(HEIs)is developed as electrocatalyst,which exhibits excellent electrocatalytic activity and CO tolerance for EOR compared to high-entropy alloys(HEAs)comprising of same *** the HEIs are used as anode catalysts to be assembled into a high-temperature polybenzimidazole-based direct ethanol fuel cell,the HEIs achieve a high power density of 47.50 mW/cm^(2),which is 2.97 times of Pt/C(16.0mW/cm^(2)).Online gas chromatography measurements show that the developed HEIs have a stronger C–C bond-breaking ability than corresponding HEAs and Pt/C catalysts,which is further verified by density functional theory(DFT)***,DFT results indicate that HEIs possess higher stability and electrochemical activity for EOR than *** results demonstrate that the HEIs could provide a new platform to develop highperformance electrocatalysts for broader applications.

关键词： C-C bond electrocatalysis ethanol oxidation high-entropy alloys high-entropy intermetallic

Prevalence of Dry Eye and Its Association with Various Risk Factors in Rural Setup of Western Uttar Pradesh in a Tertiary Care Hospital

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Open Journal of Preventive Medicine 2016年第1期6卷 57-63页

作者： Ravi Ranjan Sushil Kumar Shukla chandra veer singh B. N. Mishra Sriti Sinha B. D. Sharma Department of Ophthalmology U. P. Rural Institute of Medical Sciences and Research Saifai India Department of Community Medicine U. P. Rural Institute of Medical Sciences and Research Saifai India Department of Pharmacology U. P. Rural Institute of Medical Sciences and Research Saifai India Department of Community Medicine R. D. Gardi Medical College Ujjain India District Hospital Etawah India

Purpose: To study the prevalence of dry eye in a hospital based population of rural setup and to evaluate its association with various risk factors. Material and Methods: In this cross sectional study, patients above 20 years of age were screened randomly for dry eye. An 8 points questionnaires, slit lamp examination of meibomian glands, tear film breakup time, fluorescein staining of cornea, schirmer test were used to diagnose dry eye. The diagnosis was made when three of the five parameters were positive. The role of various occupations as well as role of different exposure factors like sunlight, excessive wind, smoking, drugs, and air pollution as dry eye risk factors was accessed. Result: Out of 445, 45.39% patients had dry eye. Dry eye prevalence was higher in those above 70 years of age (74%). It was higher in male population (51.82%) compare to female population (37.37%), nearly equal in rural (46.04%) and urban population (44.31%) and highest among factory workers (90%). Correlation of dry eye with drugs (P = 0.0002), sunlight/high temperature (P = 0.0003) and smoking (P = 0.03) were significant. Conclusion: This is a hospital based study which provides prevalence of dry eye in rural region of western Uttar Pradesh. It is more common in old age male population and significantly higher in factory workers. Out of different modifiable risk factors most important are drugs, sunlight/high temperature and smoking.

关键词： Dry Eye Fluorescein Stain Schirmer Test Tear Film Break up Time

Tailoring lattice strain in ultra-fine high-entropy alloys for active and stable methanol oxidation

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Science China Materials 2021年第10期64卷 2454-2466页

作者： Dongdong Wang Zhiwen Chen Yu-Cheng Huang Wei Li Juan Wang Zhuole Lu Kaizhi Gu Tehua Wang Yujie Wu Chen Chen Yiqiong Zhang Xiaoqing Huang Li Tao Chung-Li Dong Jun Chen chandra veer singh Shuangyin Wang State Key Laboratory of Chemo/Bio-Sensing and Chemometrics College of Chemistry and Chemical EngineeringHunan UniversityChangsha 410082 Department of Materials Science and Engineering University of TorontoToronto ON M5S 3E4 College of Materials Science and Engineering Changsha University of Science&TechnologyChangsha 410114 ARC Centre of Excellence for Electromaterials Science Intelligent Polymer Research Institute(IPRI)Australian Institute of Innovative Materials(AIIM)University of WollongongWollongong NSW 2522 Research Center for X-Ray Science&Department of Physics Tamkang UniversityNew Taipei City 25137 College of Chemistry Chemical Engineering and Materials ScienceSoochow UniversitySuzhou 215123

High-entropy alloys(HEAs)have been widely studied due to their unconventional compositions and unique physicochemical properties for various ***,for the first time,we propose a surface strain strategy to tune the electrocatalytic activity of HEAs for methanol oxidation reaction(MOR).High-resolution aberration-corrected scanning transmission electron microscopy(STEM)and elemental mapping demonstrate both uniform atomic dispersion and the formation of a face-centered cubic(FCC)crystalline structure in Pt Fe Co Ni Cu *** HEAs obtained by heat treatment at 700℃(HEA-700)exhibit 0.94%compressive strain compared with that obtained at 400℃(HEA-400).As expected,the specific activity and mass activity of HEA-700 is higher than that of HEA-400 and most of the state-of-the-art *** enhanced MOR activity can be attributed to a shorter Pt–Pt bond distance in HEA-700 resulting from compressive *** nonprecious metal atoms in the core could generate compressive strain and down shift d-band centers via electron transfer to surface Pt *** work presents a new perspective for the design of high-performance HEAs electrocatalysts.

关键词： high-entropy alloys lattice strain methanol oxidation platinum-based catalysts electrocatalysis

Angioinvasive mucormycosis in burn intensive care units:A case report and review of literature

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World Journal of Critical Care Medicine 2024年第1期13卷 76-84页

作者： Atul Parashar chandra singh Plastic Surgery Post Graduate Institute of Medical Education and ResearchChandigarh 160012India

BACKGROUND Mucormycosis is a rare,rapidly progressive and often fatal fungal *** rarity of the condition lends itself to unfamiliarity,delayed treatment,and poor *** of fungal infections early enough to enable appropriate treatment occurs in less than half of affected *** SUMMARY An 11-year-old girl with a history of 15%total body surface area scald burns involving both lower limbs progressed to develop angioinvasive *** further led to a thrombosis of the right external iliac artery and vein and rapidly progressive necrosis of surrounding soft *** also had dextrocardia and patent foramen ovale.A right hip disarticulation and serial aggressive debridements were performed but she went on to develop systemic sepsis with multisystem involvement and succumbed to the *** revealed mucor species with extensive vascular *** This case highlights the importance of maintaining vigilance for mycotic infections and acting appropriately when there are signs of fulminant wound infection.

关键词： Angioinvasiveness Mucormycosis Burn sepsis Femoral artery thrombosis Case report

Analytical solutions fractional order partial differential equations arising in fluid dynamics

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Applied Mathematics(A Journal of Chinese Universities) 2024年第3期39卷 458-468页

作者： Sidheswar Behera Jasvinder singh Pal Virdi Department of Physics Veer Surendra Sai University of TechnologyOdishaIndia

This article describes the solution procedure of the fractional Pade-Ⅱ equation and generalized Zakharov equation(GSEs)using the sine-cosine ***-Ⅱ is an important nonlinear wave equation modeling unidirectional propagation of long-wave in dispersive media and GSEs are used to model the interaction between one-dimensional high,and low-frequency *** of trigonometric and hyperbolic function solutions in fractional calculus are *** simulations of the numerical solutions are flaunted by MATLAB.

关键词： the sine-cosine method He's fractional derivative analytical solution fractional Pade-Ⅱequation fractional generalized Zakharov equation

Natural product-based treatment potential for type 2 diabetes mellitus and cardiovascular disease

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World Journal of Diabetes 2024年第7期15卷 1603-1614页

作者： Dharmsheel Shrivastav Satyam Kumar Kumbhakar Shivangi Srivastava Desh Deepak singh Amity Institute of Biotechnology Amity University RajasthanJaipur 303002RajasthanIndia Department of Biotechnology Govt Veer Surendra Say P.G.CollegeGariaband 493889ChhattisgarhIndia Department of Life Science Chhatrapati Shahu ji Maharaj UniversityKanpur 208024Uttar PradeshIndia

BACKGROUND Type 2 diabetes(T2D)is a metabolic disease of impaired glucose utilization and a major cause of cardiovascular disease(CVD).The pathogenesis of both diseases shares common risk factors and mechanisms,and both are significant contributors to global morbidity and *** of natural products for T2D mellitus(T2DM)and CVD can be seen as a potential preventive and effective therapeutic *** To critically evaluate the therapeutic potential of natural products in T2D and coronary artery disease(CAD).METHODS By using specific keywords,we strategically searched the PubMed *** controlled trials(RCTs)were searched as the primary focus that examined the effect of natural products on glycemic control,oxidative stress,and antioxidant *** focused on outcomes such as low blood glucose levels,adjustment on markers of oxidative stress and *** screening fulllength papers,we included 9 RCTs in our review that met our inclusion *** In the literature search on the database,we found that various natural products like plant secondary metabolites play a diverse role in the management of *** ginseng,sesame oil and cocoa flavanols proved effective in lowering blood glucose levels and controlling blood pressure,which are key factors in managing T2DM and *** diabetic patients Melissa officinalis effectively reduce inflammation and shows diabetes *** fish oil and flaxseed oil reduced insulin levels and inflammatory markers,suggesting benefits for both *** lipid profile and endothelial function were enhanced by Nigella sativa oil and Terminalia chebula,which is significant for the management of cardiovascular risk factors in *** Bilberry extract also showed promise for improving glycemic control in patients with *** The high level of antioxidant,anti-inflammatory,and anti-angiogenic properties found in natural products makes them promising therapeutic opt

关键词： Type 2 diabetes mellitus Cardiovascular disease Natural products Antioxidants Oxidative stress Therapeutic impact Global burden

A clinical decision support system using rough set theory and machine learning for disease prediction

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智慧医学（英文） 2024年第3期04卷 200-208页

作者： singh Kamakhya Narain Mantri Jibendu Kumar Department of Computer Application Maharaja Sriram Chandra Bhanja Deo University Baripada India

Objective:Technological advances have led to drastic changes in daily life, and particularly healthcare, while traditional diagnosis methods are being replaced by technology-oriented models and paper-based patient healthcare records with digital files. Using the latest technology and data mining techniques, we aimed to develop an automated clinical decision support system (CDSS), to improve patient prognoses and healthcare delivery. Our proposed approach placed a strong emphasis on improvements that meet patient, parent, and physician expectations. We developed a flexible framework to identify hepatitis, dermatological conditions, hepatic disease, and autism in adults and provide results to patients as recommendations. The novelty of this CDSS lies in its integration of rough set theory (RST) and machine learning (ML) techniques to improve clinical decision-making accuracy and ***:Data were collected through various web-based resources. Standard preprocessing techniques were applied to encode categorical features, conduct min-max scaling, and remove null and duplicate entries. The most prevalent feature in the class and standard deviation were used to fill missing categorical and continuous feature values, respectively. A rough set approach was applied as feature selection, to remove highly redundant and irrelevant elements. Then, various ML techniques, including K nearest neighbors (KNN), linear support vector machine (LSVM), radial basis function support vector machine (RBF SVM), decision tree (DT), random forest (RF), and Naive Bayes (NB), were employed to analyze four publicly available benchmark medical datasets of different types from the UCI repository and Kaggle. The model was implemented in Python, and various validity metrics, including precision, recall, F1-score, and root mean square error (RMSE), applied to measure its ***:Features were selected using an RST approach and examined by RF analysis and important features of

关键词： Clinical decision support system Disease classification Machine learning classifier Medical data Recommendation Rough set

Glacier area change (1993-2019) and its relationship to debris cover, proglacial lakes, and morphological parameters in the chandra-Bhaga Basin, Western Himalaya, India

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Journal of Mountain Science 2024年第4期21卷 1287-1306页

作者： VATSAL Sarvagya AZAM Mohd Farooq BHARDWAJ Anshuman MANDAL Arindan BAHUGUNA Ishmohan RAMANATHAN Alagappan RAJU N.Janardhana TOMAR Sangita singh Department of Civil Engineering Indian Institute of Technology IndoreSimrol 453552India School of Geosciences University of AberdeenKing’s CollegeAberdeen AB243FXUnited Kingdom Interdisciplinary Centre for Water Research Indian Institute of ScienceBengaluru 560012India Space Application Centre Ahmedabad 380015India School of Environmental Sciences Jawaharlal Nehru UniversityNew Delhi 110067India Department of Geography Norwegian University of Science and TechnologyTrondheim No-7491Norway

Glacier inventories serve as critical baseline data for understanding the impacts of climate change on *** present study maps the outlines of glaciers in the chandra-Bhaga Basin(western Himalaya)for the years 1993,2000,2010,and 2019 using Landsat Thematic Mapper(TM),Enhanced Thematic Mapper(ETM),and Operational Land Imager(OLI)datasets.A total of 251 glaciers,each having an area above 0.5 km^(2),were identified,which include 216 clean-ice and 35 debris-covered *** changes are estimated for three periods:1993-2000,2000-2010,and *** total glacierized area was 996±62 km^(2) in 1993,which decreased to 973±70 km^(2) in *** mean rate of glacier area loss was higher in the recent decade(2010-2019),at 0.036 km^(2),compared to previous decades(0.029 km^(2) in 2000-2010 and 0.025 km^(2) in 1993-2000).Supraglacial debris cover changes are also mapped over the period of 1993 and *** is found that the supraglacial debris cover increased by 14.12±2.54 km^(2)(15.2%)during *** field surveys on Chhota Shigri,Panchi II,Patsio,Hamtah,Mulkila,and Yoche Lungpa glaciers were carried out to validate the glacier outlines and supraglacial debris cover estimated using satellite *** of various morphological parameters on retreat were also *** is observed that small,clean ice,south oriented glaciers,and glaciers with proglacial lakes are losing area at faster rates than other glaciers in the basin.

关键词： Glacier Area change Debris cover Morphology Proglacial lake