Deep learning(DL)is one of the fastest-growing topics in materials data science,with rapidly emerging applications spanning atomistic,image-based,spectral,and textual data modalities.DL allows analysis of unstructured...Deep learning(DL)is one of the fastest-growing topics in materials data science,with rapidly emerging applications spanning atomistic,image-based,spectral,and textual data modalities.DL allows analysis of unstructured data and automated identification of features.The recent development of large materials databases has fueled the application of DL methods in atomistic prediction in particular.In contrast,advances in image and spectral data have largely leveraged synthetic data enabled by high-quality forward models as well as by generative unsupervised DL methods.In this article,we present a high-level overview of deep learning methods followed by a detailed discussion of recent developments of deep learning in atomistic simulation,materials imaging,spectral analysis,and natural language processing.For each modality we discuss applications involving both theoretical and experimental data,typical modeling approaches with their strengths and limitations,and relevant publicly available software and datasets.We conclude the review with a discussion of recent cross-cutting work related to uncertainty quantification in this field and a brief perspective on limitations,challenges,and potential growth areas for DL methods in materials science.展开更多
Graph neural networks(GNN)have been shown to provide substantial performance improvements for atomistic material representation and modeling compared with descriptor-based machine learning models.While most existing G...Graph neural networks(GNN)have been shown to provide substantial performance improvements for atomistic material representation and modeling compared with descriptor-based machine learning models.While most existing GNN models for atomistic predictions are based on atomic distance information,they do not explicitly incorporate bond angles,which are critical for distinguishing many atomic structures.Furthermore,many material properties are known to be sensitive to slight changes in bond angles.We present an Atomistic Line Graph Neural Network(ALIGNN),a GNN architecture that performs message passing on both the interatomic bond graph and its line graph corresponding to bond angles.We demonstrate that angle information can be explicitly and efficiently included,leading to improved performance on multiple atomistic prediction tasks.We ALIGNN models for predicting 52 solid-state and molecular properties available in the JARVIS-DFT,Materials project,and QM9 databases.ALIGNN can outperform some previously reported GNN models on atomistic prediction tasks by up to 85%in accuracy with better or comparable model training speed.展开更多
In many ways,cancer cells are different from healthy cells.A lot of tactical nano-based drug delivery systems are based on the difference between cancer and healthy cells.Currently,nanotechnology-based delivery system...In many ways,cancer cells are different from healthy cells.A lot of tactical nano-based drug delivery systems are based on the difference between cancer and healthy cells.Currently,nanotechnology-based delivery systems are the most promising tool to deliver DNA-based products to cancer cells.This review aims to highlight the latest development in the lipids and polymeric nanocarrier for siRNA delivery to the cancer cells.It also provides the necessary information about siRNA development and its mechanism of action.Overall,this review gives us a clear picture of lipid and polymer-based drug delivery systems,which in the future could form the base to translate the basic siRNA biology into siRNA-based cancer therapies.展开更多
The Joint Automated Repository for Various Integrated Simulations(JARVIS)is an integrated infrastructure to accelerate materials discovery and design using density functional theory(DFT),classical force-fields(FF),and...The Joint Automated Repository for Various Integrated Simulations(JARVIS)is an integrated infrastructure to accelerate materials discovery and design using density functional theory(DFT),classical force-fields(FF),and machine learning(ML)techniques.JARVIS is motivated by the Materials Genome Initiative(MGI)principles of developing open-access databases and tools to reduce the cost and development time of materials discovery,optimization,and deployment.展开更多
The paper presents an improved-RFC(Random Forest Classifier)approach for multi-class disease classification problem.It consists of a combination of Random Forest machine learning algorithm,an attribute evaluator metho...The paper presents an improved-RFC(Random Forest Classifier)approach for multi-class disease classification problem.It consists of a combination of Random Forest machine learning algorithm,an attribute evaluator method and an instance filter method.It intends to improve the performance of Random Forest algorithm.The performance results confirm that the proposed improved-RFC approach performs better than Random Forest algorithm with increase in disease classification accuracy up to 97.80%for multi-class groundnut disease dataset.The performance of improved-RFC approach is tested for its efficiency on five benchmark datasets.It shows superior performance on all these datasets.展开更多
Available data suggest a possible link between abnormalvitamin D level and abnormal glucose homeostasis,two of the most common chronic medical conditions.Both conditions are associated with inflammation,and the exact ...Available data suggest a possible link between abnormalvitamin D level and abnormal glucose homeostasis,two of the most common chronic medical conditions.Both conditions are associated with inflammation,and the exact mechanism for role of either on the other is not well clear.Literature investigating the link between vitamin D and either pre-diabetic states or diabetes is reviewed.Vitamin D deficiency is detrimental to insulin synthesis and secretion in animal and human studies.In humans,it has been shown by majority of observational studies,that vitamin D is positively correlated with insulin sensitivity and its role is mediated both by direct mechanism through the availability of vitamin D receptors in several tissues and indirectly through the changes in calcium levels.Large number of,but not all,variable samples cross sectional human trials have demonstrated an inverse relation between vitamin D status and impaired glucose tolerance,insulin resistance or diabetes.To compliment this conclusively,evidence from intervention studies is critically warranted before we can frankly state that vitamin D plays a role in diabetes prevention or treatment.Absence of both sizable prospective observational trials utilizing 25(OH)D as the main variable and the non-availability of randomized studies specifically designed to assess the effects of vitamin D on pre-diabetes and diabetes states,are the main obstacles to draw solid and conclusive relationships.展开更多
Influence of silicon oxide(SiO_2) and aluminum oxide(Al_2O_3) nanoparticles on the stability of nanoparticles and sodium dodecyl sulfate(SDS) mixed solution foams was studied at bulk and bubble-scale. Foam apparent vi...Influence of silicon oxide(SiO_2) and aluminum oxide(Al_2O_3) nanoparticles on the stability of nanoparticles and sodium dodecyl sulfate(SDS) mixed solution foams was studied at bulk and bubble-scale. Foam apparent viscosity was also determined in Hele-Shaw cell In order to investigate the foam performance at static and dynamic conditions. Results show that the maximum adsorption of surfactant on the nanoparticles occurs at 3 wt% surfactant concentration. Foam stability increases while the foamability decreases with the increasing nanoparticle concentration. However, optimum nanoparticle concentration corresponding to maximum foam stability was obtained at 1.0 wt% nanoparticle concentration for the hydrophilic SiO_2/SDS and Al_2O_3/SDS foams. Foam performance was enhanced with increasing nanoparticles hydrophobicity. Air-foams were generally more stable than CO_2 foams.Foam apparent viscosity increased in the presence of nanoparticles from 20.34 mPa·s to 84.84 mPa·s while the film thickness increased from 27.5 μm to 136 μm. This study suggests that the static and dynamic stability of conventional foams could be improved with addition of appropriate concentration of nanoparticles into the surfactant solution. The nanoparticles improve foam stability by their adsorption and aggregation at the foam lamellae to increase film thickness and dilational viscoelasticity. This prevents liquid drainage and film thinning and improves foam stability both at the bulk and bubble scale.展开更多
AIM: To investigate the role of preoperative biliary drainage (PBD) in the outcome of classical pancreaticodu odenectomy. METHODS: A 10-year retrospective data analysis was performed on patients (n = 48) undergoing pa...AIM: To investigate the role of preoperative biliary drainage (PBD) in the outcome of classical pancreaticodu odenectomy. METHODS: A 10-year retrospective data analysis was performed on patients (n = 48) undergoing pancreaticoduodenectomy from March 1994 to March 2004 in department of surgery at SMS medical college, Jaipur, India. Demographic variables, details of preoperative stenting, operative procedure and post operative complications were noted. RESULTS: Preoperative biliary drainage was performed in 21 patients (43.5%). The incidence of septic complications was significantly higher in patients with biliary stent placement (P < 0.05, 0 vs 4). This group of patients also had a significantly higher minor biliary leak rate. Mortality and hospital stay in each group was comparable. CONCLUSION: Within this study population the use of PBD by endoscopic stenting was associated with a high incidence of infective complications. These findings do not support the routine use of biliary stenting in patients prior to pancreatico-duodenectomy.展开更多
Simulations based on solving the Kohn-Sham(KS)equation of density functional theory(DFT)have become a vital component of modern materials and chemical sciences research and development portfolios.Despite its versatili...Simulations based on solving the Kohn-Sham(KS)equation of density functional theory(DFT)have become a vital component of modern materials and chemical sciences research and development portfolios.Despite its versatility,routine DFT calculations are usually limited to a few hundred atoms due to the computational bottleneck posed by the KS equation.Here we introduce a machine-learning-based scheme to efficiently assimilate the function of the KS equation,and by-pass it to directly,rapidly,and accurately predict the electronic structure of a material or a molecule,given just its atomic configuration.A new rotationally invariant representation is utilized to map the atomic environment around a grid-point to the electron density and local density of states at that grid-point.This mapping is learned using a neural network trained on previously generated reference DFT results at millions of grid-points.The proposed paradigm allows for the high-fidelity emulation of KS DFT,but orders of magnitude faster than the direct solution.Moreover,the machine learning prediction scheme is strictly linear-scaling with system size.展开更多
Allelopathic effects of different doses of Eucalyptus camaldulensis leaf litters were investigated through an experiment in the green house of Institute of Forestry and Environmental Sciences, Chittagong, Bangladesh. ...Allelopathic effects of different doses of Eucalyptus camaldulensis leaf litters were investigated through an experiment in the green house of Institute of Forestry and Environmental Sciences, Chittagong, Bangladesh. Three popular agricultural crops： Falen （Vigna unguiculata）, Chickpea （Cicer arietinum）, Arhor （Cajanus cajan） and two widely used plantation trees： Sada koroi （Albizia procera） and Ipil ipil （Leucaena leucocephala） were selected as bioassay species. Experiment was set on tray at room temperature 27℃. The effects of different doses of leaf litter extracts were compared to the control. Results suggest that leaf litters of E, camaldulesis induced inhibitory effects, It was also found that the effect depend on concentration of extract and litterfall, type of receiver species. Higher concentration of the materials had the higher effect and vice versa. Though all the bioassay species were suppressed some of them showed better performance. Vigna unguiculata, Cicer arietinum are recommended in agroforestry based on this present Experiment output. In mixed plantation, Leucaena leucochephala is a better choice while compared to Albizia procera.展开更多
Owing to the significance of improving fuel economy, reducing emissions, and extending the durability of engine components, this study focused on the tribological performance of nano-additives. In this study, copper (...Owing to the significance of improving fuel economy, reducing emissions, and extending the durability of engine components, this study focused on the tribological performance of nano-additives. In this study, copper (Cu) and graphene (Gr) nanomaterials were dispersed in a fully formulated engine oil (5W-30) with different concentrations. The tribological trials were investigated under various speeds and loads, utilizing a reciprocating tribometer to mimic the ring/liner interfaces in the engine. The frictional surface morphologies were com-prehensively analyzed using electron probe X-ray microanalysis (EPMA), field emission scanning electron microscopy (FESEM), energy dispersive spectrometer (EDS), and three dimensional (3D) surface profilometry to explore the mechanisms responsible for improving the tribological performance of the frictional sliding parts in the engine. The tribological test results illustrated that lubrication by nano-additives reduced the wear rate (WR) and friction coefficient (COF) by 25%–30% and 26.5%–32.6%, respectively, as compared with 5W-30. The results showed that this is a promising approach for increasing the durability and lifespan of frictional sliding components and fuel economy in automobile engines.展开更多
Hepatitis C virus(HCV)is a major health burden infecting 170-210 million people worldwide.Additional 3-4millions are newly-infected annually.Prevalence of pediatric infection varies from 0.05%-0.36%in the United State...Hepatitis C virus(HCV)is a major health burden infecting 170-210 million people worldwide.Additional 3-4millions are newly-infected annually.Prevalence of pediatric infection varies from 0.05%-0.36%in the United States and Europe;up to 1.8%-5.8%in some developing countries.The highest prevalence occurs in Egypt,sub-Saharan Africa,Amazon basin and Mongolia.HCV has been present in some populations for several centuries,notably genotypes 1 and 2 in West Africa.Parenteral anti-schistosomal therapy practiced in the 1960s until the early 1980s had spread HCV infection throughout Egypt.Parenteral acquisition of HCV remains a major route for infection among Egyptian children.Insufficient screening of transfusions,unsterilized injection equipment and re-used needles and syringes continue to be major routes of HCV transmission in developing countries,whereas vertical transmission and adolescent high-risk behaviors(e.g.,injection drug abuse)are the major routes in developed countries.The risk of vertical transmission from an infected mother to her unborn/newborn infant is approximately 5%.Early stages of HCV infection in children do not lead to marked impairment in the quality of life nor to cognitive,behavioral or emotional dysfunction;however,caregiver stress and family system strain may occur.HCV slowly progresses to serious complications as cirrhosis(1%-2%)and hepatocellular carcinoma(HCC)especially in the presence of risk factors as hemolytic anemias,obesity,treated malignancy,and concomitant human immune deficiency and/or hepatitis B virus co-infection.HCV vaccine remains elusive to date.Understanding the immune mechanisms in patients who successfully cleared the infection is essential for vaccine development.The pediatric standard of care treatment consists of pegylated interferon-α2a or b plus ribavirin for 24-48 wk.The new oral direct acting antivirals,approved for adults,need further evaluation in children.Sustained virologic response varies depending on the viral load,genotype,duration of infection,degree of ami展开更多
AIM: DMA mismatch repair (MMR) is an important mechanism for maintaining fidelity of genomic DNA. Abnormalities in one or more MMR genes are implicated in the development of many cancers. We investigated the role of e...AIM: DMA mismatch repair (MMR) is an important mechanism for maintaining fidelity of genomic DNA. Abnormalities in one or more MMR genes are implicated in the development of many cancers. We investigated the role of expression of MMR genes (hMLH1, hPMS1, hPMS2, GTBP/hMSH6, hMSH2) in hepatocellular carcinogenesis. METHODS: We evaluated the expression level of MMR genes in 33 hepatocellular carcinoma (HCC) cases using the multiplex reverse transcription (RT) PCR assays, as well as in 16 cases of normal adjacent hepatic tissues. β-actin gene was used as an internal control and calibrator for quantification of gene expression. RESULTS: Out of the 33 studied cases, 25 were HCV positive and 30 (90.9%) showed reduced expression in one or more of the studied MMR genes. Reduced expression was found in hMSH2(71.9%), hMLH1 (53.3%), GTBP(51.1%), hPMS2 (33.3%) and hPMS1 (6%). A significant correlation was found between reduced expression of hPMS2(P= 0.0069) and GTBP(P= 0.0034), hPMS2 and non-cirrhosis (P= 0.0197), hMLH1 and high grade. On the other hand, 57.1%, 50%, 20%, 18.8%, and 6% of the normal tissues distant to tumors showed reduced expression of hMSH2, hMLH1, GTBP, hPMS2, and hPMS1 respectively. Multivariate analysis revealed a significant correlation between the expression level of hMSH2(P= 0.008), hMLH1 (P= 0.001) and GTBP (P= 0.032) and HCC, between hPMS2, GTBP and HCV-associated HCC (P<0.001, 0.002). CONCLUSION: Reduced expression of MMR genes seems to play an important role in HCV-associated HCC. hPMS2 is likely involved at an early stage of hepatocarcinogenesis since it was detected in normal adjacent tissues. Reduced expression of hPMS2 provides a growth advantage and stimulates proliferation which encourages malignant transformation in non-cirrhotic HCV-infected patients via acquisition of more genetic damages.展开更多
Gut microbiota has a significant role in gut development,maturation,and immune system differentiation.It exerts considerable effects on the child's physical and mental development.The gut microbiota composition an...Gut microbiota has a significant role in gut development,maturation,and immune system differentiation.It exerts considerable effects on the child's physical and mental development.The gut microbiota composition and structure depend on many host and microbial factors.The host factors include age,genetic pool,general health,dietary factors,medication use,the intestine's pH,peristalsis,and transit time,mucus secretions,mucous immunoglobulin,and tissue oxidation-reduction potentials.The microbial factors include nutrient availability,bacterial cooperation or antagonism,and bacterial adhesion.Each part of the gut has its microbiota due to its specific characteristics.The gut microbiota interacts with different body parts,affecting the pathogenesis of many local and systemic diseases.Dysbiosis is a common finding in many childhood disorders such as autism,failure to thrive,nutritional disorders,coeliac disease,Necrotizing Enterocolitis,helicobacter pylori infection,functional gastrointestinal disorders of childhood,inflammatory bowel diseases,and many other gastrointestinal disorders.Dysbiosis is also observed in allergic conditions like atopic dermatitis,allergic rhinitis,and asthma.Dysbiosis can also impact the development and the progression of immune disorders and cardiac disorders,including heart failure.Probiotic supplements could provide some help in managing these disorders.However,we are still in need of more studies.In this narrative review,we will shed some light on the role of microbiota in the development and management of common childhood disorders.展开更多
AIM To evaluate the safety and efficacy of sedating pediatric patients for outpatient flexible bronchoscopy.METHODS A retrospective chart review was conducted for all children, age 17 years or under who underwent flex...AIM To evaluate the safety and efficacy of sedating pediatric patients for outpatient flexible bronchoscopy.METHODS A retrospective chart review was conducted for all children, age 17 years or under who underwent flexible bronchoscopy under deep sedation in an outpatient hospital-based setting. Two sedation regimens were used; propofol only or ketamine prior to propofol. Patients were divided into three age groups; infants(less than 12 mo), toddlers(1-3 years) and children(4-17 years). Demographics, indication for bronchoscopy, sedative dosing, sedation and recovery time and adverse events were reviewed.RESULTS Of the total 458 bronchoscopies performed, propofol only regimen was used in 337(74%) while propofol and ketamine was used in 121(26%). About 99% of the procedures were successfully completed. Children in the propofol + ketamine group tend to be youngerand have lower weight compared to the propofol only group. Adverse events including transient hypoxemia and hypotension occurred in 8% and 24% respectively. Median procedure time was 10 min while the median discharge time was 35 min. There were no differences in the indication of the procedure, propofol dose, procedure or recovery time in either sedative regimen. When compared to other age groups, infants had a higher incidence of hypoxemia.CONCLUSION Children can be effectively sedated for outpatient flexible bronchoscopy with high rate of success. This procedure should be performed under vigilance of highly trained providers.展开更多
AIMTo make efficacy and safety comparison of telbivudine-raodmap and tenofovir-roadmap in hepatitis B e antigen (HBeAg)-negative chronic hepatitis B (CHB) patients. METHODSThis was the first prospective, randomised, t...AIMTo make efficacy and safety comparison of telbivudine-raodmap and tenofovir-roadmap in hepatitis B e antigen (HBeAg)-negative chronic hepatitis B (CHB) patients. METHODSThis was the first prospective, randomised, two-arm, open-label, non-inferiority study in HBeAg-negative CHB patients that compared telbivudine and tenofovir administered as per roadmap concept. Patients were treated up to 24 wk and, depending on virologic response, continued the same therapy or received add-on therapy up to 104 wk. Eligible patients received an additional 52 wk of treatment in the extension period (i.e., up to 156 wk). Patients who developed virologic breakthrough (VB) while on monotherapy also received add-on therapy. The primary efficacy endpoint was the rate of patients achieving hepatitis B virus (HBV) DNA RESULTSA total of 241 patients were randomised. Non-inferiority of telbivudine arm to tenofovir arm was demonstrated at week 52 (± 7 d window), with over 91% of patients in each treatment arm achieving HBV DNA level CONCLUSIONEfficacy was shown for both telbivudine-roadmap and tenofovir-roadmap regimens in HBeAg-negative CHB patients over 156 wk. Telbivudine arm was associated with renal improvement.展开更多
Background and Aims:Patients with cirrhosis and acuteon-chronic liver failure(ACLF)may have bleeding complications and need for invasive procedures.Point-of-care(POC)coagulation tests like thromboelastography(TEG)and ...Background and Aims:Patients with cirrhosis and acuteon-chronic liver failure(ACLF)may have bleeding complications and need for invasive procedures.Point-of-care(POC)coagulation tests like thromboelastography(TEG)and Sonoclot may be better for guiding patient management than the standard coagulation tests(SCTs),like prothrombin time,platelet count and international normalized ratio.Methods:We prospectively compared and validated the POC tests and SCTs in 70 persons with ACLF and 72 persons with decompensated cirrhosis who had clinical bleeding and checked for episodes of re-bleeding and transfusion requirements.We assessed pre-procedure requirement of blood components when correction was done based on an SCT or POC strategy.Results:Episodes of bleeding were seen in 45%and 28%of ACLF and cirrhosis patient,respectively(p=0.036),with the major site of bleeding being gastrointestinal(31%and 16%,respectively).Platelet counts correlated with TEG-maximum amplitude in cirrhosis(p=0.045)and prothrombin time correlated positively with TEG-reaction(R)time(p=0.032),TEG-Clot kinetics(K)time(p=0.042),Son-activated clotting time(p=0.038)and negatively with clot rate(p=0.043)in ACLF,making these correctable target variables in POC transfusion algorithms.Of 223 procedures,transfusion of fresh frozen plasma and platelet concentrate was reduced by 25%(p=0.035)and 20.8%(p=0.045)by using a POC strategy in 76 patients.Correction of deranged Son-activated clotting time and TEG-reaction time was noted in 68%and 72%after 24 h of fresh frozen plasma transfusion in ACLF and 85%and 80%in cirrhosis,respectively.Conclusions:Our study clinically validates that POC tests can better detect coagulation defects and transfusion thresholds in ACLF and cirrhosis,whereas use of conventional tests appear to be less suitable in patients with clinical bleeding.Trial Registration:NCT04332484.展开更多
基金Contributions from K.C.were supported by the financial assistance award 70NANB19H117 from the U.S.Department of CommerceNational Institute of Standards and Technology+5 种基金E.A.H.and R.C.(CMU)were supported by the National Science Foundation under grant CMMI-1826218the Air Force D3OM2S Center of Excellence under agreement FA8650-19-2-5209A.J.,C.C.,and S.P.O.were supported by the Materials Project,funded by the U.S.Department of Energy,Office of Science,Office of Basic Energy Sciences,Materials Sciences and Engineering Division under contract no,DE-AC02-05-CH11231Materials Project program KC23MP.S.J.L.B.was supported by the U.S.National Science Foundation through grant DMREF-1922234A.A.and A.C.were supported by NIST award 70NANB19H005NSF award CMMI-2053929.
文摘Deep learning(DL)is one of the fastest-growing topics in materials data science,with rapidly emerging applications spanning atomistic,image-based,spectral,and textual data modalities.DL allows analysis of unstructured data and automated identification of features.The recent development of large materials databases has fueled the application of DL methods in atomistic prediction in particular.In contrast,advances in image and spectral data have largely leveraged synthetic data enabled by high-quality forward models as well as by generative unsupervised DL methods.In this article,we present a high-level overview of deep learning methods followed by a detailed discussion of recent developments of deep learning in atomistic simulation,materials imaging,spectral analysis,and natural language processing.For each modality we discuss applications involving both theoretical and experimental data,typical modeling approaches with their strengths and limitations,and relevant publicly available software and datasets.We conclude the review with a discussion of recent cross-cutting work related to uncertainty quantification in this field and a brief perspective on limitations,challenges,and potential growth areas for DL methods in materials science.
基金K.C.and B.D.thank the National Institute of Standards and Technology for funding,computational,and data management resources.Contributions from K.C.were supported by the financial assistance award 70NANB19H117 from the U.S.Department of Commerce,National Institute of Standards and Technology.This work was also supported by the Frontera supercomputer,National Science Foundation OAC-1818253at the Texas Advanced Computing Center(TACC)at The University of Texas at Austin.
文摘Graph neural networks(GNN)have been shown to provide substantial performance improvements for atomistic material representation and modeling compared with descriptor-based machine learning models.While most existing GNN models for atomistic predictions are based on atomic distance information,they do not explicitly incorporate bond angles,which are critical for distinguishing many atomic structures.Furthermore,many material properties are known to be sensitive to slight changes in bond angles.We present an Atomistic Line Graph Neural Network(ALIGNN),a GNN architecture that performs message passing on both the interatomic bond graph and its line graph corresponding to bond angles.We demonstrate that angle information can be explicitly and efficiently included,leading to improved performance on multiple atomistic prediction tasks.We ALIGNN models for predicting 52 solid-state and molecular properties available in the JARVIS-DFT,Materials project,and QM9 databases.ALIGNN can outperform some previously reported GNN models on atomistic prediction tasks by up to 85%in accuracy with better or comparable model training speed.
文摘In many ways,cancer cells are different from healthy cells.A lot of tactical nano-based drug delivery systems are based on the difference between cancer and healthy cells.Currently,nanotechnology-based delivery systems are the most promising tool to deliver DNA-based products to cancer cells.This review aims to highlight the latest development in the lipids and polymeric nanocarrier for siRNA delivery to the cancer cells.It also provides the necessary information about siRNA development and its mechanism of action.Overall,this review gives us a clear picture of lipid and polymer-based drug delivery systems,which in the future could form the base to translate the basic siRNA biology into siRNA-based cancer therapies.
基金K.C.thanks the computational support from XSEDE computational resources under allocation number TGDMR 190095Contributions from K.C.were supported by the financial assistance award 70NANB19H117 from the U.S.Department of Commerce,National Institute of Standards and Technology+3 种基金Contributions by S.M.,K.H.,K.R.,and D.V.were supported by NSF DMREF Grant No.DMR-1629059 and No.DMR-1629346X.Q.was supported by NSF Grant No.OAC-1835690A.A.acknowledges partial support by CHiMaD(NIST award#70NANB19H005)G.P.was supported by the Los Alamos National Laboratory’s Laboratory Directed Research and Development(LDRD)program’s Directed Research(DR)project#20200104DR。
文摘The Joint Automated Repository for Various Integrated Simulations(JARVIS)is an integrated infrastructure to accelerate materials discovery and design using density functional theory(DFT),classical force-fields(FF),and machine learning(ML)techniques.JARVIS is motivated by the Materials Genome Initiative(MGI)principles of developing open-access databases and tools to reduce the cost and development time of materials discovery,optimization,and deployment.
文摘The paper presents an improved-RFC(Random Forest Classifier)approach for multi-class disease classification problem.It consists of a combination of Random Forest machine learning algorithm,an attribute evaluator method and an instance filter method.It intends to improve the performance of Random Forest algorithm.The performance results confirm that the proposed improved-RFC approach performs better than Random Forest algorithm with increase in disease classification accuracy up to 97.80%for multi-class groundnut disease dataset.The performance of improved-RFC approach is tested for its efficiency on five benchmark datasets.It shows superior performance on all these datasets.
文摘Available data suggest a possible link between abnormalvitamin D level and abnormal glucose homeostasis,two of the most common chronic medical conditions.Both conditions are associated with inflammation,and the exact mechanism for role of either on the other is not well clear.Literature investigating the link between vitamin D and either pre-diabetic states or diabetes is reviewed.Vitamin D deficiency is detrimental to insulin synthesis and secretion in animal and human studies.In humans,it has been shown by majority of observational studies,that vitamin D is positively correlated with insulin sensitivity and its role is mediated both by direct mechanism through the availability of vitamin D receptors in several tissues and indirectly through the changes in calcium levels.Large number of,but not all,variable samples cross sectional human trials have demonstrated an inverse relation between vitamin D status and impaired glucose tolerance,insulin resistance or diabetes.To compliment this conclusively,evidence from intervention studies is critically warranted before we can frankly state that vitamin D plays a role in diabetes prevention or treatment.Absence of both sizable prospective observational trials utilizing 25(OH)D as the main variable and the non-availability of randomized studies specifically designed to assess the effects of vitamin D on pre-diabetes and diabetes states,are the main obstacles to draw solid and conclusive relationships.
基金the Ministry of Higher Education(Vot no.Q.J130000.2542.08H61)Universiti Teknologi(UTM)Malaysia,for supporting this research through research management grant
文摘Influence of silicon oxide(SiO_2) and aluminum oxide(Al_2O_3) nanoparticles on the stability of nanoparticles and sodium dodecyl sulfate(SDS) mixed solution foams was studied at bulk and bubble-scale. Foam apparent viscosity was also determined in Hele-Shaw cell In order to investigate the foam performance at static and dynamic conditions. Results show that the maximum adsorption of surfactant on the nanoparticles occurs at 3 wt% surfactant concentration. Foam stability increases while the foamability decreases with the increasing nanoparticle concentration. However, optimum nanoparticle concentration corresponding to maximum foam stability was obtained at 1.0 wt% nanoparticle concentration for the hydrophilic SiO_2/SDS and Al_2O_3/SDS foams. Foam performance was enhanced with increasing nanoparticles hydrophobicity. Air-foams were generally more stable than CO_2 foams.Foam apparent viscosity increased in the presence of nanoparticles from 20.34 mPa·s to 84.84 mPa·s while the film thickness increased from 27.5 μm to 136 μm. This study suggests that the static and dynamic stability of conventional foams could be improved with addition of appropriate concentration of nanoparticles into the surfactant solution. The nanoparticles improve foam stability by their adsorption and aggregation at the foam lamellae to increase film thickness and dilational viscoelasticity. This prevents liquid drainage and film thinning and improves foam stability both at the bulk and bubble scale.
文摘AIM: To investigate the role of preoperative biliary drainage (PBD) in the outcome of classical pancreaticodu odenectomy. METHODS: A 10-year retrospective data analysis was performed on patients (n = 48) undergoing pancreaticoduodenectomy from March 1994 to March 2004 in department of surgery at SMS medical college, Jaipur, India. Demographic variables, details of preoperative stenting, operative procedure and post operative complications were noted. RESULTS: Preoperative biliary drainage was performed in 21 patients (43.5%). The incidence of septic complications was significantly higher in patients with biliary stent placement (P < 0.05, 0 vs 4). This group of patients also had a significantly higher minor biliary leak rate. Mortality and hospital stay in each group was comparable. CONCLUSION: Within this study population the use of PBD by endoscopic stenting was associated with a high incidence of infective complications. These findings do not support the routine use of biliary stenting in patients prior to pancreatico-duodenectomy.
基金The authors would like to thank XSEDE for the utilization of Stampede2 cluster via project ID“DMR080058N”This work is supported by the Office of Naval Research through N0014-17-1-2656,a Multi-University Research Initiative(MURI)grant.
文摘Simulations based on solving the Kohn-Sham(KS)equation of density functional theory(DFT)have become a vital component of modern materials and chemical sciences research and development portfolios.Despite its versatility,routine DFT calculations are usually limited to a few hundred atoms due to the computational bottleneck posed by the KS equation.Here we introduce a machine-learning-based scheme to efficiently assimilate the function of the KS equation,and by-pass it to directly,rapidly,and accurately predict the electronic structure of a material or a molecule,given just its atomic configuration.A new rotationally invariant representation is utilized to map the atomic environment around a grid-point to the electron density and local density of states at that grid-point.This mapping is learned using a neural network trained on previously generated reference DFT results at millions of grid-points.The proposed paradigm allows for the high-fidelity emulation of KS DFT,but orders of magnitude faster than the direct solution.Moreover,the machine learning prediction scheme is strictly linear-scaling with system size.
基金Intercooperation,Agroforestry Improvement Project and Village and Farm Forestry Project (IC-VFFP, AFIP) Rajshahi (Funded by Swiss Agency for Development Cooperation,SDC)
文摘Allelopathic effects of different doses of Eucalyptus camaldulensis leaf litters were investigated through an experiment in the green house of Institute of Forestry and Environmental Sciences, Chittagong, Bangladesh. Three popular agricultural crops： Falen （Vigna unguiculata）, Chickpea （Cicer arietinum）, Arhor （Cajanus cajan） and two widely used plantation trees： Sada koroi （Albizia procera） and Ipil ipil （Leucaena leucocephala） were selected as bioassay species. Experiment was set on tray at room temperature 27℃. The effects of different doses of leaf litter extracts were compared to the control. Results suggest that leaf litters of E, camaldulesis induced inhibitory effects, It was also found that the effect depend on concentration of extract and litterfall, type of receiver species. Higher concentration of the materials had the higher effect and vice versa. Though all the bioassay species were suppressed some of them showed better performance. Vigna unguiculata, Cicer arietinum are recommended in agroforestry based on this present Experiment output. In mixed plantation, Leucaena leucochephala is a better choice while compared to Albizia procera.
基金The authors would like to express their deep appreciations for the support by the National Natural Science Foundation of China (No. 51875423)the support from Hubei Key Laboratory of Advanced Technology for Automotive Components (Wuhan University of Technology)Mohamed Kamal Ahmed ALI acknowledges the financial support from Minia University during his post-doctoral study.
文摘Owing to the significance of improving fuel economy, reducing emissions, and extending the durability of engine components, this study focused on the tribological performance of nano-additives. In this study, copper (Cu) and graphene (Gr) nanomaterials were dispersed in a fully formulated engine oil (5W-30) with different concentrations. The tribological trials were investigated under various speeds and loads, utilizing a reciprocating tribometer to mimic the ring/liner interfaces in the engine. The frictional surface morphologies were com-prehensively analyzed using electron probe X-ray microanalysis (EPMA), field emission scanning electron microscopy (FESEM), energy dispersive spectrometer (EDS), and three dimensional (3D) surface profilometry to explore the mechanisms responsible for improving the tribological performance of the frictional sliding parts in the engine. The tribological test results illustrated that lubrication by nano-additives reduced the wear rate (WR) and friction coefficient (COF) by 25%–30% and 26.5%–32.6%, respectively, as compared with 5W-30. The results showed that this is a promising approach for increasing the durability and lifespan of frictional sliding components and fuel economy in automobile engines.
文摘Hepatitis C virus(HCV)is a major health burden infecting 170-210 million people worldwide.Additional 3-4millions are newly-infected annually.Prevalence of pediatric infection varies from 0.05%-0.36%in the United States and Europe;up to 1.8%-5.8%in some developing countries.The highest prevalence occurs in Egypt,sub-Saharan Africa,Amazon basin and Mongolia.HCV has been present in some populations for several centuries,notably genotypes 1 and 2 in West Africa.Parenteral anti-schistosomal therapy practiced in the 1960s until the early 1980s had spread HCV infection throughout Egypt.Parenteral acquisition of HCV remains a major route for infection among Egyptian children.Insufficient screening of transfusions,unsterilized injection equipment and re-used needles and syringes continue to be major routes of HCV transmission in developing countries,whereas vertical transmission and adolescent high-risk behaviors(e.g.,injection drug abuse)are the major routes in developed countries.The risk of vertical transmission from an infected mother to her unborn/newborn infant is approximately 5%.Early stages of HCV infection in children do not lead to marked impairment in the quality of life nor to cognitive,behavioral or emotional dysfunction;however,caregiver stress and family system strain may occur.HCV slowly progresses to serious complications as cirrhosis(1%-2%)and hepatocellular carcinoma(HCC)especially in the presence of risk factors as hemolytic anemias,obesity,treated malignancy,and concomitant human immune deficiency and/or hepatitis B virus co-infection.HCV vaccine remains elusive to date.Understanding the immune mechanisms in patients who successfully cleared the infection is essential for vaccine development.The pediatric standard of care treatment consists of pegylated interferon-α2a or b plus ribavirin for 24-48 wk.The new oral direct acting antivirals,approved for adults,need further evaluation in children.Sustained virologic response varies depending on the viral load,genotype,duration of infection,degree of ami
文摘AIM: DMA mismatch repair (MMR) is an important mechanism for maintaining fidelity of genomic DNA. Abnormalities in one or more MMR genes are implicated in the development of many cancers. We investigated the role of expression of MMR genes (hMLH1, hPMS1, hPMS2, GTBP/hMSH6, hMSH2) in hepatocellular carcinogenesis. METHODS: We evaluated the expression level of MMR genes in 33 hepatocellular carcinoma (HCC) cases using the multiplex reverse transcription (RT) PCR assays, as well as in 16 cases of normal adjacent hepatic tissues. β-actin gene was used as an internal control and calibrator for quantification of gene expression. RESULTS: Out of the 33 studied cases, 25 were HCV positive and 30 (90.9%) showed reduced expression in one or more of the studied MMR genes. Reduced expression was found in hMSH2(71.9%), hMLH1 (53.3%), GTBP(51.1%), hPMS2 (33.3%) and hPMS1 (6%). A significant correlation was found between reduced expression of hPMS2(P= 0.0069) and GTBP(P= 0.0034), hPMS2 and non-cirrhosis (P= 0.0197), hMLH1 and high grade. On the other hand, 57.1%, 50%, 20%, 18.8%, and 6% of the normal tissues distant to tumors showed reduced expression of hMSH2, hMLH1, GTBP, hPMS2, and hPMS1 respectively. Multivariate analysis revealed a significant correlation between the expression level of hMSH2(P= 0.008), hMLH1 (P= 0.001) and GTBP (P= 0.032) and HCC, between hPMS2, GTBP and HCV-associated HCC (P<0.001, 0.002). CONCLUSION: Reduced expression of MMR genes seems to play an important role in HCV-associated HCC. hPMS2 is likely involved at an early stage of hepatocarcinogenesis since it was detected in normal adjacent tissues. Reduced expression of hPMS2 provides a growth advantage and stimulates proliferation which encourages malignant transformation in non-cirrhotic HCV-infected patients via acquisition of more genetic damages.
文摘Gut microbiota has a significant role in gut development,maturation,and immune system differentiation.It exerts considerable effects on the child's physical and mental development.The gut microbiota composition and structure depend on many host and microbial factors.The host factors include age,genetic pool,general health,dietary factors,medication use,the intestine's pH,peristalsis,and transit time,mucus secretions,mucous immunoglobulin,and tissue oxidation-reduction potentials.The microbial factors include nutrient availability,bacterial cooperation or antagonism,and bacterial adhesion.Each part of the gut has its microbiota due to its specific characteristics.The gut microbiota interacts with different body parts,affecting the pathogenesis of many local and systemic diseases.Dysbiosis is a common finding in many childhood disorders such as autism,failure to thrive,nutritional disorders,coeliac disease,Necrotizing Enterocolitis,helicobacter pylori infection,functional gastrointestinal disorders of childhood,inflammatory bowel diseases,and many other gastrointestinal disorders.Dysbiosis is also observed in allergic conditions like atopic dermatitis,allergic rhinitis,and asthma.Dysbiosis can also impact the development and the progression of immune disorders and cardiac disorders,including heart failure.Probiotic supplements could provide some help in managing these disorders.However,we are still in need of more studies.In this narrative review,we will shed some light on the role of microbiota in the development and management of common childhood disorders.
文摘AIM To evaluate the safety and efficacy of sedating pediatric patients for outpatient flexible bronchoscopy.METHODS A retrospective chart review was conducted for all children, age 17 years or under who underwent flexible bronchoscopy under deep sedation in an outpatient hospital-based setting. Two sedation regimens were used; propofol only or ketamine prior to propofol. Patients were divided into three age groups; infants(less than 12 mo), toddlers(1-3 years) and children(4-17 years). Demographics, indication for bronchoscopy, sedative dosing, sedation and recovery time and adverse events were reviewed.RESULTS Of the total 458 bronchoscopies performed, propofol only regimen was used in 337(74%) while propofol and ketamine was used in 121(26%). About 99% of the procedures were successfully completed. Children in the propofol + ketamine group tend to be youngerand have lower weight compared to the propofol only group. Adverse events including transient hypoxemia and hypotension occurred in 8% and 24% respectively. Median procedure time was 10 min while the median discharge time was 35 min. There were no differences in the indication of the procedure, propofol dose, procedure or recovery time in either sedative regimen. When compared to other age groups, infants had a higher incidence of hypoxemia.CONCLUSION Children can be effectively sedated for outpatient flexible bronchoscopy with high rate of success. This procedure should be performed under vigilance of highly trained providers.
文摘AIMTo make efficacy and safety comparison of telbivudine-raodmap and tenofovir-roadmap in hepatitis B e antigen (HBeAg)-negative chronic hepatitis B (CHB) patients. METHODSThis was the first prospective, randomised, two-arm, open-label, non-inferiority study in HBeAg-negative CHB patients that compared telbivudine and tenofovir administered as per roadmap concept. Patients were treated up to 24 wk and, depending on virologic response, continued the same therapy or received add-on therapy up to 104 wk. Eligible patients received an additional 52 wk of treatment in the extension period (i.e., up to 156 wk). Patients who developed virologic breakthrough (VB) while on monotherapy also received add-on therapy. The primary efficacy endpoint was the rate of patients achieving hepatitis B virus (HBV) DNA RESULTSA total of 241 patients were randomised. Non-inferiority of telbivudine arm to tenofovir arm was demonstrated at week 52 (± 7 d window), with over 91% of patients in each treatment arm achieving HBV DNA level CONCLUSIONEfficacy was shown for both telbivudine-roadmap and tenofovir-roadmap regimens in HBeAg-negative CHB patients over 156 wk. Telbivudine arm was associated with renal improvement.
基金The study was funded by PGIMER institutional intramural grant(No RGC/6701/2019).
文摘Background and Aims:Patients with cirrhosis and acuteon-chronic liver failure(ACLF)may have bleeding complications and need for invasive procedures.Point-of-care(POC)coagulation tests like thromboelastography(TEG)and Sonoclot may be better for guiding patient management than the standard coagulation tests(SCTs),like prothrombin time,platelet count and international normalized ratio.Methods:We prospectively compared and validated the POC tests and SCTs in 70 persons with ACLF and 72 persons with decompensated cirrhosis who had clinical bleeding and checked for episodes of re-bleeding and transfusion requirements.We assessed pre-procedure requirement of blood components when correction was done based on an SCT or POC strategy.Results:Episodes of bleeding were seen in 45%and 28%of ACLF and cirrhosis patient,respectively(p=0.036),with the major site of bleeding being gastrointestinal(31%and 16%,respectively).Platelet counts correlated with TEG-maximum amplitude in cirrhosis(p=0.045)and prothrombin time correlated positively with TEG-reaction(R)time(p=0.032),TEG-Clot kinetics(K)time(p=0.042),Son-activated clotting time(p=0.038)and negatively with clot rate(p=0.043)in ACLF,making these correctable target variables in POC transfusion algorithms.Of 223 procedures,transfusion of fresh frozen plasma and platelet concentrate was reduced by 25%(p=0.035)and 20.8%(p=0.045)by using a POC strategy in 76 patients.Correction of deranged Son-activated clotting time and TEG-reaction time was noted in 68%and 72%after 24 h of fresh frozen plasma transfusion in ACLF and 85%and 80%in cirrhosis,respectively.Conclusions:Our study clinically validates that POC tests can better detect coagulation defects and transfusion thresholds in ACLF and cirrhosis,whereas use of conventional tests appear to be less suitable in patients with clinical bleeding.Trial Registration:NCT04332484.
