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Myasthenia gravis and thymic neoplasms: A brief review 被引量:6
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作者 ritesh kumar 《World Journal of Clinical Cases》 SCIE 2015年第12期980-983,共4页
Thymoma is the most common mediastinal tumor. They have varied presentation ranging from asymptomatic incidental mediastinal masses to locally extensive tumor with compressive symptoms and distant metastases. They hav... Thymoma is the most common mediastinal tumor. They have varied presentation ranging from asymptomatic incidental mediastinal masses to locally extensive tumor with compressive symptoms and distant metastases. They have frequent association with various paraneoplastic syndromes(PNS). The most common PNS associated with thymoma is myasthenia gravis(MG). Patients of thymoma with MG have a favourable outcome due to early disclosure of the disease. Histologically they are classified into five subtypes and MasaokaKoga staging system is used for staging. Surgery, chemotherapy and radiotherapy play an important role along with anti-myasthenia drugs. This review would like to highlight the association of thymoma with MG and associated clinical and therapeutic issues. 展开更多
关键词 THYMOMA MYASTHENIA GRAVIS Surgery RADIOTHERAPY CHEMOTHERAPY
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Evidence for current diagnostic criteria of diabetes mellitus 被引量:3
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作者 ritesh kumar Lakshmana Perumal Nandhini +2 位作者 Sadishkumar Kamalanathan Jayaprakash Sahoo Muthupillai Vivekanadan 《World Journal of Diabetes》 SCIE CAS 2016年第17期396-405,共10页
Diabetes mellitus is a non-communicable metabolicderangement afflicting several millions of individuals globally. It is associated with several micro and macro-vascular complications and is also a leading cause of mor... Diabetes mellitus is a non-communicable metabolicderangement afflicting several millions of individuals globally. It is associated with several micro and macro-vascular complications and is also a leading cause of mortality. The unresolved issue is that of definition of the diagnostic threshold for diabetes. The World Health Organization and the American Diabetes Asso-ciation(ADA) have laid down several diagnostic criteria for diagnosing diabetes and prediabetes based on the accumulating body of evidence.This review has attempted to analyse the scientific evidence supporting the justification of these differing criteria. The evidence for diagnosing diabetes is strong, and there is a concordance between the two professional bodies. The controversy arises when describing the normal lower limit of fasting plasma glucose(FPG) with little evidence favouring the reduction of the FPG by the ADA. Several studies have also shown the development of complications specific for diabetes in patients with prediabetes as defined by the current criteria though there is a significant overlap of such prevalence in individuals with normoglycemia. Large multinational longitudinal prospective studies involving subjects without diabetes and retinopathy at baseline will ideally help identify the threshold of glycemic measurements for future development of diabetes and its complications. 展开更多
关键词 Diabetes PREDIABETES Post GLUCOSE MICROVASCULAR COMPLICATIONS MACROVASCULAR COMPLICATIONS
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Fuel properties and combustion characteristics of some promising bamboo species in India 被引量:2
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作者 ritesh kumar N. Chandrashekar 《Journal of Forestry Research》 SCIE CAS CSCD 2014年第2期471-476,共6页
We investigated the fuel characteristics of five important bamboo species viz., Dendrocalamus strictus, D. brandisii, D. stocksii, Bambusa bambos and B. balcooa. The selected species cover more than 85% of the total g... We investigated the fuel characteristics of five important bamboo species viz., Dendrocalamus strictus, D. brandisii, D. stocksii, Bambusa bambos and B. balcooa. The selected species cover more than 85% of the total growing stock of bamboo in India. Basic density varied from 0.48 to 0.78 g.cm-3 among the bamboo species studied. Ash content, volatile matter content and fixed carbon content ranged between 1.4%-3.0%, 77.2%-80.8% and 17.6%-21.1%, respectively. Variation in calorific value (18.7-19.6 MJ-kg-l) was marginal. Fuel value index var- ied widely (586-2120) among bamboo species. The highest calorific value (19.6 MJ.kg"l) and fuel value index (2120) were found in B. bal- cooa. Ash elemental analysis revealed that silica and potassium are the major ash forming minerals in bamboo biomass. Silica content ranged from 8.7% to 49.0%, while potassium ranged from 20.6% to 69.8%. We studied combustion characteristics under oxidizing atmosphere. Burning profiles of the samples were derived by applying the derivative thermo- gravimetric technique which is discussed in detail. The five bamboo species were different in their combustion behaviour, mainly due to differences in physical and chemical properties. We compare fuel prop- erties, ash elemental analysis and combustion characteristics of bamboo biomass with wood biomass of Eucalyptus hybrid (Eucalyptus tereticor- his × Eucalyptus camaldulensis). 展开更多
关键词 BAMBOO calorific value ASH burning profile Thermogravimetric analysis
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Effect of tree-age on calorific value and other fuel properties of Eucalyptus hybrid 被引量:1
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作者 ritesh kumar K.K.Pandey +1 位作者 N.Chandrashekar Sanjai Mohan 《Journal of Forestry Research》 SCIE CAS CSCD 2010年第4期514-516,526,共4页
For determining the effect of tree-age on the fuel properties of Eucalyptus hybrid, the variability in basic density, calorific value, proximate and ultimate parameters of 2-6 years old trees and mature trees (20- ye... For determining the effect of tree-age on the fuel properties of Eucalyptus hybrid, the variability in basic density, calorific value, proximate and ultimate parameters of 2-6 years old trees and mature trees (20- year-old), grown under short rotation forestry regime, were measured and analyzed. Results show that there was no significant variation in the basic density of wood for 2-6 year-old Eucalyptus hybrid, with average value of 0.55-0.58 g.cm-3; the calorific value of mature trees was higher than that of lower age trees, but the ash content was much higher in lower age trees compared to mature trees. No particular trend was observed for volatile matter content and the fixed carbon content with tree-age. In conclusion, the fuel properties of mature tree were marginally better than trees of lower age. 展开更多
关键词 Calorific value Eucalyptus hybrid fuel properties
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Esthesioneuroblastoma: Multimodal management and review of literature 被引量:1
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作者 ritesh kumar 《World Journal of Clinical Cases》 SCIE 2015年第9期774-778,共5页
Esthesioneuroblastoma(ENB) is a rare malignant neoplasm arising from the olfactory neuroepithelium. ENB constitutes only 3% of all malignant intranasal neoplasm. Because of the rarity, the number of patients of ENB tr... Esthesioneuroblastoma(ENB) is a rare malignant neoplasm arising from the olfactory neuroepithelium. ENB constitutes only 3% of all malignant intranasal neoplasm. Because of the rarity, the number of patients of ENB treated in individual departments is small. Most of these patients presents in locally advanced stages and require multimodality treatment in form of surgery, chemotherapy and radiotherapy. Multimodality approach with a risk-adapted strategy is required to achieve good control rates while minimizing treatment related toxicity. 展开更多
关键词 SURGERY RADIOTHERAPY CHEMOTHERAPY ESTHESIONEUROBLASTOMA
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Defect induced room-temperature ferromagnetism and enhanced photocatalytic activity in Ni-doped ZnO synthesized by electrodeposition
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作者 Deepika Raju kumar +5 位作者 ritesh kumar Kamdeo Prasad Yadav Pratyush Vaibhav Seema Sharma Rakesh kumar Singh Santosh kumar 《Chinese Physics B》 SCIE EI CAS CSCD 2020年第10期566-572,共7页
Zn0.90Ni0.10O nanoparticles have been synthesized by single-bath two-electrode electrodeposition at constant voltage. X-ray diffraction, UV vis and photoluminescence studies reveal that a single-phase polycrystalline ... Zn0.90Ni0.10O nanoparticles have been synthesized by single-bath two-electrode electrodeposition at constant voltage. X-ray diffraction, UV vis and photoluminescence studies reveal that a single-phase polycrystalline hcp wurtzite crystal structure of ZnO is evolved. The material consists of a large number of defects such as oxygen vacancy (Ov) and zinc interstitial (Zi). The magnetization study reveals that the sample exhibits room-temperature global ferromagnetism and the ferromagnetic ordering seems to be defect induced via bound magnetic polaron mechanism, and double exchange is also expected to have played role. Interesting optoelectronic properties have been found in the synthesized sample and the material seems to be a potential candidate to be used as a UV sensor. Such a transition metal doped ZnO based dilute magnetic semiconducting system exhibiting room-temperature ferromagnetism is likely to be first of its kind in the sense that such materials have not yet been reported to be synthesized by the simple method of electrodeposition to the best of our knowledge on the basis of ample literature review. 展开更多
关键词 dilute magnetic semiconductors(DMS) bound magnetic polaron PHOTOLUMINESCENCE FERROMAGNETISM
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Effect of Frey's procedure on islet cell function in patients with chronic calcific pancreatitis
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作者 ritesh kumar Jaya Prakash Sahoo +5 位作者 Biju Pottakat Sadishkumar Kamalanathan Pazhanivel Mohan Vikram Kate Sitanshu Sekhar Kar Jayakumar Selviambigapathya 《Hepatobiliary & Pancreatic Diseases International》 SCIE CAS CSCD 2018年第4期358-362,共5页
Background: Frey’s procedure involves both drainage and resection of the pancreas in subjects with chronic calcific pancreatitis(CCP). The procedure may affect the pancreatic endocrine function after surgery. The pre... Background: Frey’s procedure involves both drainage and resection of the pancreas in subjects with chronic calcific pancreatitis(CCP). The procedure may affect the pancreatic endocrine function after surgery. The present study was to evaluate the effect of Frey’s procedure on both beta and alpha cell function in CCP patients.Methods: Thirty CCP patients who underwent Frey’s procedure were included. According to the glycemic status, patients were divided into the diabetes mellitus(DM), prediabetes, and normal glucose tolerance(NGT) groups. Islet cell function was assessed before and 3 months after surgery.Results: At baseline, there was a significant difference in beta cell function among the three groups [NGT group 1.71(1.64–2.07) vs prediabetes group1.50(0.83–1.61) vs DM group 0.33(0.12–0.55), P < 0.0001], but the insulin resistance was not different among them. Post glucose hyperglucagonemia representing alphacell dysfunction during oral glucose tolerance test was present in all of them, but showed no significant difference [NGT group 0.15(0.06–0.31) vs prediabetes group 0.32(0.05–0.70) vs DM group 0.07(0.02–0.18), P = 0.20]. Frey’s procedure did not change beta cell function and insulin resistance. However, alphacell dysfunction deteriorated after surgery [0.10(0.03–0.27) vs 0.33(0.09–0.68), P = 0.004].Conclusions: Although Frey’s procedure does not affect the beta cell function and insulin resistance in CCP patients, the alpha-cell dysfunction deteriorates after surgery. 展开更多
关键词 BETA-CELL Diabetes mellitus GLUCAGON Insulin secretion sensitivity index Matsuda index
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Wooden foreign body impalement through the right shoulder region–an unusual penetrating injury:A case report
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作者 Abhay Harsh Kerketta ritesh kumar +2 位作者 Seelora Sahu Jayanta kumar Laik Manoj kumar Rajak 《World Journal of Orthopedics》 2022年第12期1064-1068,共5页
BACKGROUND Impalement of the body is a rare injury and comes with varied presentation.There is no set classification or defined protocols for managing this injury.This case report aims to create awareness among trauma... BACKGROUND Impalement of the body is a rare injury and comes with varied presentation.There is no set classification or defined protocols for managing this injury.This case report aims to create awareness among trauma surgeons about unusual presentation and management of such case.CASE SUMMARY A 45-year-old man presented to the emergency department with a sharp penetrating wooden plank at right clavicular region between the neck and shoulder following a road traffic accident.The vehicle had crashed into a roadside wooden hut,thus causing an impalement injury.He was meticulously worked up and taken to emergency theatre.The wooden plank was removed and the wound healed uneventfully.Postoperatively,he had fairly good shoulder function and was able to return back to work successfully.CONCLUSION Each impalement injury brings in challenges in management as no two cases are the same.The varied presentation and risks involved should be known to medical professionals handling the emergency.Coordinated multidisciplinary team approach is needed for successful outcome. 展开更多
关键词 Impaling WOODEN Foreign body Sharp object TRUNK Case report
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α1-COP modulates plasmodesmata function through sphingolipid enzyme regulation
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作者 Arya Bagus Boedi Iswanto Minh Huy Vu +10 位作者 Jong Cheol Shon ritesh kumar Shuwei Wu Hobin Kang Da-Ran Kim Geon Hui Son Woe Yoen Kim Youn-Sig Kwak Kwang Hyeon Liu Sang Hee Kim Jae-Yean Kim 《Journal of Integrative Plant Biology》 SCIE CAS CSCD 2024年第8期1639-1657,共19页
Callose,aβ-1,3-glucan plant cell wall polymer,regulates symplasmic channel size at plasmodesmata(PD)and plays a crucial role in a variety of plant processes.However,elucidating the molecular mechanism of PD callose h... Callose,aβ-1,3-glucan plant cell wall polymer,regulates symplasmic channel size at plasmodesmata(PD)and plays a crucial role in a variety of plant processes.However,elucidating the molecular mechanism of PD callose homeostasis is limited.We screened and identified an Arabidopsis mutant plant with excessive callose deposition at PD and found that the mutated gene wasα1-COP,a member of the coat protein I(COPI)coatomer complex.We report that loss of function ofα1-COP elevates the callose accumulation at PD by affecting subcellular protein localization of callose degradation enzyme Pd BG2.This process is linked to the functions of ERH1,an inositol phosphoryl ceramide synthase,and glucosylceramide synthase through physical interactions with theα1-COP protein.Additionally,the loss of function ofα1-COP alters the subcellular localization of ERH1 and GCS proteins,resulting in a reduction of Glc Cers and Glc HCers molecules,which are key sphingolipid(SL)species for lipid raft formation.Our findings suggest thatα1-COP protein,together with SL modifiers controlling lipid raft compositions,regulates the subcellular localization of GPI-anchored PDBG2 proteins,and hence the callose turnover at PD and symplasmic movement of biomolecules.Our findings provide the first key clue to link the COPI-mediated intracellular trafficking pathway to the callose-mediated intercellular signaling pathway through PD. 展开更多
关键词 CALLOSE coatomer proteins membrane-bound vesicle PLASMODESMATA sphingolipid enzymes
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Arabidopsis thaliana RECEPTOR DEAD KINASE1 Functions as a Positive Regulator in Plant Responses to ABA 被引量:10
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作者 Dhinesh kumar ritesh kumar +4 位作者 Dongwon Baek Tae-Kyung Hyun Woo Sik Chung Dae-Jin Yun Jae-Yean Kim 《Molecular Plant》 SCIE CAS CSCD 2017年第2期223-243,共21页
Abscisic acid (ABA) is a major phytohormone involved in important stress-related and developmental plant processes. Membrane-delimited ABA signal transduction plays an important role in early ABA signaling, but the ... Abscisic acid (ABA) is a major phytohormone involved in important stress-related and developmental plant processes. Membrane-delimited ABA signal transduction plays an important role in early ABA signaling, but the molecular mechanisms connecting core signaling components to the plasma membrane remain un- clear. Plants have evolved a large number of receptor-like kinases (RLKs) to modulate diverse biological processes by perceiving extracellular stimuli and activating downstream signaling responses. In this study, a putative leucine-rich repeat-RLK gene named RECEPTOR DEAD KINASE1 (AtRDK1) was identified and characterized in Arabidopsis thaliana. RDK1 promoter-GUS analysis revealed that RDK1 is expressed ubiq- uitously in the various tissues in Arabidopsis, and its expression is mainly induced by ABA. In the presence of ABA, RDKl-deficient rdkl-1 and rdkl-2 lines showed significant resistance in cotyledon greening and root growth, whereas RDKl-overexpressing lines showed enhanced sensitivity. Consistently, the expres- sion of ABA-responsive genes was significantly downregulated in rdkl mutant seedlings, which were also hypersensitive to drought stress with increased water loss. Interestingly, RDK1 was found to be an atypical kinase localized to the plasma membrane and did not require its kinase activity during ABA-mediated inhi- bition of seedling development. Accordingly, RDK1 interacted in the plasma membrane with type 2C protein phosphatase ABSClSIC ACID INSENSITIVE1 (ABI1); this interaction was further enhanced by exogenous application of ABA, suggesting that RDKl-mediated recruitment of ABI1 onto the plasma membrane is important for ABA signaling. Taken together, these results reveal an important role for RDK1 in plant responses to abiotic stress conditions in an ABA-dependent manner. 展开更多
关键词 ABA abiotic stress ARABIDOPSIS atypical kinases protein phosphatases receptor-like kinases
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Low-cost high entropy alloy(HEA)for high-efficiency oxygen evolution reaction(OER) 被引量:11
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作者 Lalita Sharma Nirmal kumar Katiyar +6 位作者 Arko Parui Rakesh Das ritesh kumar Chandra Sekhar Tiwary Abhisek K.Singh Aditi Halder Krishanu Biswas 《Nano Research》 SCIE EI CSCD 2022年第6期4799-4806,共8页
Oxygen evolution reaction(OER)is the key step involved both in water splitting devices and rechargeable metal-air batteries,and hence,there is an urgent need for a stable and low-cost material for efficient OER.In the... Oxygen evolution reaction(OER)is the key step involved both in water splitting devices and rechargeable metal-air batteries,and hence,there is an urgent need for a stable and low-cost material for efficient OER.In the present investigation,Co-Fe-Ga-NiZn(CFGNZ)high entropy alloy(HEA)has been utilized as a low-cost electrocatalyst for OER.Herein,after cyclic voltammetry activation,CFGNZ-nanoparticles(NPs)are covered with oxidized surface and form high entropy(oxy)hydroxides(HEOs),exhibiting a low overpotential of 370 mV to achieve a current density of 10 mA/cm^(2)with a small Tafel slope of 71 mV/dec.CFGNZ alloy has higher electrochemical stability in comparison to state-of-the art RuO2 electrocatalyst as no degradation has been observed up to 10 h of chronoamperometry.Transmission electron microscopy(TEM)studies after 10 h of long-term chronoamperometry test showed no change in the crystal structure,which confirmed the high stability of CFGNZ.The density functional theory(DFT)based calculations show that the closeness of d(p)-band centers to the Fermi level(EF)plays a major role in determining active sites.This work highlights the tremendous potential of CFGNZ HEA for OER,which is the primary reaction involved in water splitting. 展开更多
关键词 high entropy alloy cyclic voltammetry activation oxygen evolution reaction ELECTROCATALYST nanocrystalline catalyst
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Engineering drought and salinity tolerance traits in crops through CRISPR-mediated genome editing:Targets,tools,challenges,and perspectives 被引量:2
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作者 Rahul Mahadev Shelake Ulhas Sopanrao Kadam +3 位作者 ritesh kumar Dibyajyoti Pramanik Anil kumar Singh Jae-Yean Kim 《Plant Communications》 SCIE 2022年第6期208-234,共27页
Prolonged periods of drought triggered by climate change hamper plant growth and cause substantial agricultural yield losses every year.In addition to drought,salinity is one of the major abiotic stresses that severel... Prolonged periods of drought triggered by climate change hamper plant growth and cause substantial agricultural yield losses every year.In addition to drought,salinity is one of the major abiotic stresses that severely affect crop health and agricultural production.Plant responses to drought and salinity involve multiple processes that operate in a spatiotemporal manner,such as stress sensing,perception,epigenetic modifications,transcription,post-transcriptional processing,translation,and post-translational changes.Consequently,drought and salinity stress tolerance are polygenic traits influenced by genomeenvironment interactions.One of the ideal solutions to these challenges is the development of highyielding crop varieties with enhanced stress tolerance,together with improved agricultural practices.Recently,genome-editing technologies,especially clustered regularly interspaced short palindromic repeats(CRISPR)tools,have been effectively applied to elucidate how plants deal with drought and saline environments.In this work,we aim to portray that the combined use of CRISPR-based genome engineering tools and modern genomic-assisted breeding approaches are gaining momentum in identifying genetic determinants of complex traits for crop improvement.This review provides a synopsis of plant responses to drought and salinity stresses at the morphological,physiological,and molecular levels.We also highlight recent advances in CRISPR-based tools and their use in understanding the multi-level nature of plant adaptations to drought and salinity stress.Integrating CRISPR tools with modern breeding approaches is ideal for identifying genetic factors that regulate plant stress-response pathways and for the introgression of beneficial traits to develop stress-resilient crops. 展开更多
关键词 CRISPR/Cas drought tolerance genome editing polygenic traits salt tolerance trait introgression
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Report of primary leiomyosarcoma of renal pelvis and literature review 被引量:1
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作者 Abhidha Malik ritesh kumar +4 位作者 Abhishek Shankar Sunil Chumber Sameer Bakhshi Seema Kaushal Bala Thirunavukkarasu 《Journal of Cancer Metastasis and Treatment》 CAS 2017年第1期111-115,共5页
Primary sarcomas of kidney are exceptionally rare tumors,accounting for only 1-2%of all malignant tumors of kidney.Leiomyosarcoma(LMS)is the most common histological subtype among all renal sarcomas.The authors descri... Primary sarcomas of kidney are exceptionally rare tumors,accounting for only 1-2%of all malignant tumors of kidney.Leiomyosarcoma(LMS)is the most common histological subtype among all renal sarcomas.The authors describe here a case of primary leiomyosarcoma of renal pelvis in a 50-year-old lady,presenting with flank pain.Based on triple phase cardio-electroencephalographic covariance tracing abdomen,presumptive diagnosis of renal cell carcinoma/renal sarcoma/neurogenic tumor was made and patient underwent radical nephrectomy.Microscopy reflected spindle cell tumor which showed strong positivity for desmin and smooth muscle actin with negative epithelial markers,thereby confirming the diagnosis of renal LMS.Owing to aggressive nature and low survival rates of LMS patient received adjuvant treatment in form of chemotherapy and radiotherapy.Patient is doing well 1 year post treatment. 展开更多
关键词 PRIMARY LEIOMYOSARCOMA renal pelvis
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Classification of brain tumor using devernay sub-pixel edge detection and k-nearest neighbours methodology
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作者 Ayush Arora ritesh kumar +3 位作者 Shubham Tiwari Mysore Shwetha Selvam Venkatesan Ramesh Babu 《Neuroimmunology and Neuroinflammation》 2018年第6期29-36,共8页
Any disease can be treated only once it is imaged,detected and classified.This paper proposes a set of algorithms for classification of a brain tumor with better accuracy and efficiency.The proposal uses a JPEG format... Any disease can be treated only once it is imaged,detected and classified.This paper proposes a set of algorithms for classification of a brain tumor with better accuracy and efficiency.The proposal uses a JPEG format of the DICOM image fed into three stages namely pre-processing,segmentation using sub-pixel edge detection method and using the nearest neighbor methodology for the detection and differentiation of benign and malignant tumors. 展开更多
关键词 Brain tumor magnetic resonance imaging k-nearest NEIGHBOR SUB-PIXEL edge detection contrast enhancement MALIGNANT BENIGN CLASSIFICATION medical image processing
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Protein Precipitation to Remove Carbohydrates that Interfere in Protein-Bound Tryptophan Quantification in Soybean Seeds
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作者 Zhentian Lei Santosh kumar +4 位作者 Saurav J.Sarma ritesh kumar Barbara W.Sumner Minviluz G.Stacey Lloyd W.Sumner 《Journal of Analysis and Testing》 EI 2020年第3期238-247,共10页
Tryptophan is one of the nine essential amino acids in humans that can only be obtained through diets and supplements.It is a precursor to many biological processes,such as serotonin,melatonin,kynurenin,and niacin(nic... Tryptophan is one of the nine essential amino acids in humans that can only be obtained through diets and supplements.It is a precursor to many biological processes,such as serotonin,melatonin,kynurenin,and niacin(nicotinamide)vitamin synthesis.The content of tryptophan in foods,such as soybean is an important indicator of nutritional value.Therefore,accurate quantification of tryptophan in soybean is crucial to soybean nutritional improvement.Quantification of soybean protein-bound amino acids first involves acid hydrolysis of total protein to liberate amino acids.However,tryptophan quantification following acid hydrolysis is difficult or impossible due to its reactions with soybean carbohydrates.Therefore,removal of carbohydrates from soy proteins prior to acid hydrolysis is necessary.In this study,we compared four common protein precipitation methods(i.e.,methanol,acetonitrile,acetone,and trichloroacetic acid(TCA)protein precipitation methods)to determine the best method to separate soy proteins from carbohydrates,and concluded that acetone provided the highest recovery of soy proteins.Tryptophan content in the precipitated proteins was determined after acid hydrolysis of the proteins using liquid chromatography-tandem mass spectrometry multiple reaction monitoring(LC-MS/MS-MRM).No significant difference in the tryptophan content was found among proteins precipitated with methanol,acetonitrile,and TCA,suggesting that these precipitated proteins have similar compositions.A slightly lower,but statistically significant tryptophan content was found in the acetonitrile-precipitated proteins,suggesting that these proteins contain slightly higher glycosylated proteins. 展开更多
关键词 TRYPTOPHAN Acid hydrolysis LC-MS/MS MRM Soybean seeds Protein precipitation
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Chemical hardness-driven interpretable machine learning approach for rapid search of photocatalysts
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作者 ritesh kumar Abhishek K.Singh 《npj Computational Materials》 SCIE EI CSCD 2021年第1期1850-1862,共13页
Strategies combining high-throughput(HT)and machine learning(ML)to accelerate the discovery of promising new materials have garnered immense attention in recent years.The knowledge of new guiding principles is usually... Strategies combining high-throughput(HT)and machine learning(ML)to accelerate the discovery of promising new materials have garnered immense attention in recent years.The knowledge of new guiding principles is usually scarce in such studies,essentially due to the‘black-box’nature of the ML models.Therefore,we devised an intuitive method of interpreting such opaque ML models through SHapley Additive exPlanations(SHAP)values and coupling them with the HT approach for finding efficient 2D watersplitting photocatalysts.We developed a new database of 30992D materials consisting of metals connected to six ligands in an octahedral geometry,termed as 2DO(octahedral 2D materials)database.The ML models were constructed using a combination of composition and chemical hardness-based features to gain insights into the thermodynamic and overall stabilities.Most importantly,it distinguished the target properties of the isocompositional 2DO materials differing in bond connectivities by combining the advantages of both elemental and structural features.The interpretable ML regression,classification,and data analysis lead to a new hypothesis that the highly stable 2DO materials follow the HSAB principle.The most stable 2DO materials were further screened based on suitable band gaps within the visible region and band alignments with respect to standard redox potentials using the GW method,resulting in 21 potential candidates.Moreover,HfSe_(2)and ZrSe_(2)were found to have high solar-tohydrogen efficiencies reaching their theoretical limits.The proposed methodology will enable materials scientists and engineers to formulate predictive models,which will be accurate,physically interpretable,transferable,and computationally tractable. 展开更多
关键词 intuitive formulate VISIBLE
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