The Open Quantum Materials Database(OQMD)is a high-throughput database currently consisting of nearly 300,000 density functional theory(DFT)total energy calculations of compounds from the Inorganic Crystal Structure D...The Open Quantum Materials Database(OQMD)is a high-throughput database currently consisting of nearly 300,000 density functional theory(DFT)total energy calculations of compounds from the Inorganic Crystal Structure Database(ICSD)and decorations of commonly occurring crystal structures.To maximise the impact of these data,the entire database is being made available,without restrictions,at www.oqmd.org/download.In this paper,we outline the structure and contents of the database,and then use it to evaluate the accuracy of the calculations therein by comparing DFT predictions with experimental measurements for the stability of all elemental ground-state structures and 1,670 experimental formation energies of compounds.This represents the largest comparison between DFT and experimental formation energies to date.The apparent mean absolute error between experimental measurements and our calculations is 0.096 eV/atom.In order to estimate how much error to attribute to the DFT calculations,we also examine deviation between different experimental measurements themselves where multiple sources are available,and find a surprisingly large mean absolute error of 0.082 eV/atom.Hence,we suggest that a significant fraction of the error between DFT and experimental formation energies may be attributed to experimental uncertainties.Finally,we evaluate the stability of compounds in the OQMD(including compounds obtained from the ICSD as well as hypothetical structures),which allows us to predict the existence of~3,200 new compounds that have not been experimentally characterised and uncover trends in material discovery,based on historical data available within the ICSD.展开更多
The Cucurbita genus contains several economically important species in the Cucurbitaceae family. Here, we report high-quality genome sequences of C. maxima and C. moschata and provide evidence supporting an allotetrap...The Cucurbita genus contains several economically important species in the Cucurbitaceae family. Here, we report high-quality genome sequences of C. maxima and C. moschata and provide evidence supporting an allotetraploidization event in Cucurbita. We are able to partition the genome into two homoeologous subgenomes based on different genetic distances to melon, cucumber, and watermelon in the Benincaseae tribe. We estimate that the two diploid progenitors successively diverged from Benincaseae around 31 and 26 million years ago （Mya）, respectively, and the allotetraploidization happened at some point between 26 Mya and 3 Mya, the estimated date when C. maxima and C. moschata diverged. The subgenomes have largely maintained the chromosome structures of their diploid progenitors. Such long-term karyotype stability after polyploidization has not been commonly observed in plant polyploids. The two subgenomes have retained similar numbers of genes, and neither subgenome is globally dominant in gene expression. Allele-specific expression analysis in the C. maxima ×C. moschata interspecific F1 hybrid and their two parents indicates the predominance of trans-regulatory effects underlying expression divergence of the parents, and detects transgressive gene expression changes in the hybrid correlated with heterosis in important agronomic traits. Our study provides insights into polyploid genome evolution and valuable resources for genetic improvement of cucurbit crops.展开更多
The prevalence of gestational diabetes mellitus(GDM)is increasing worldwide.This disease has many detrimental consequences for the woman,the unborn foetus and child.The management of GDM aims to mediate the effects of...The prevalence of gestational diabetes mellitus(GDM)is increasing worldwide.This disease has many detrimental consequences for the woman,the unborn foetus and child.The management of GDM aims to mediate the effects of hyperglycaemia by controlling blood glucose levels.Along with pharmacology and dietary interventions,exercise has a powerful potential to assist with blood glucose control.Due to the uncertainty of risks and benefits of exercise during pregnancy,women tend to avoid exercise.However,under adequate supervision exercise is both safe and beneficial in the treatment of GDM.Therefore it is vital that exercise is incorporated into the continuum of care for women with GDM.Medical doctors should be able to refer to competently informed exercise professionals to aid in GDM treatment.It is important that exercise treatment is informed by research.Hence,the development of evidence-based guidelines is important to inform practice.Currently there are no guidelines for exercise in GDM.This review aims to assess the efficacy of exercise for the management of GDM in order to establish an exercise prescription guideline specific to the condition.It is recommended that women with GDM should do both aerobic and resistance exercise at a moderate intensity,a minimum of three times a week for 30-60min each time.展开更多
Various studies have established that feedstock choice,pyrolysis temperature,and pyrolysis type influence final biochar physicochemical characteristics.However,overarching analyses of pre-biochar creation choices and ...Various studies have established that feedstock choice,pyrolysis temperature,and pyrolysis type influence final biochar physicochemical characteristics.However,overarching analyses of pre-biochar creation choices and correlations to biochar characteristics are severely lacking.Thus,the objective of this work was to help researchers,biochar-stakeholders,and practitioners make more well-informed choices in terms of how these three major parameters influence the final biochar product.Utilizing approximately 5400 peer-reviewed journal articles and over 50,800 individual data points,herein we elucidate the selections that influence final biochar physical and chemical properties,total nutrient content,and perhaps more importantly tools one can use to predict biochar’s nutrient availability.Based on the large dataset collected,it appears that pyrolysis type(fast or slow)plays a minor role in biochar physico-(inorganic)chemical characteristics;few differences were evident between production styles.Pyrolysis temperature,however,affects biochar’s longevity,with pyrolysis temperatures>500℃ generally leading to longer-term(i.e.,>1000 years)half-lives.Greater pyrolysis temperatures also led to biochars containing greater overall C and specific surface area(SSA),which could promote soil physico-chemical improvements.However,based on the collected data,it appears that feedstock selection has the largest influence on biochar properties.Specific surface area is greatest in wood-based biochars,which in combination with pyrolysis temperature could likely promote greater changes in soil physical characteristics over other feedstock-based biochars.Crop-and other grass-based biochars appear to have cation exchange capacities greater than other biochars,which in combination with pyrolysis temperature could potentially lead to longer-term changes in soil nutrient retention.The collected data also suggest that one can reasonably predict the availability of various biochar nutrients(e.g.,N,P,K,Ca,Mg,Fe,and Cu)based on feedstock choi展开更多
Gastrointestinal stromal tumors (GISTs) are rare gastrointestinal malignancies. They are rarely seen near the urinary tract. In a literature review, only one case of GIST presenting as a left adrenal tumor was reporte...Gastrointestinal stromal tumors (GISTs) are rare gastrointestinal malignancies. They are rarely seen near the urinary tract. In a literature review, only one case of GIST presenting as a left adrenal tumor was reported. We report two documented cases of gastric GISTs mimicking left adrenal tumors which were successfully treated with pure laparoscopic adrenalectomy and wedge resection of the stomach by excising the tumor from the stomach with serial fi ring of endoscopic gastrointestinal staplers. The surgical margins were clear, and the patients recovered smoothly. No adjuvant therapy with imatinib was prescribed. During the surveillance for 9 mo and 44 mo respectively, no tumor recurrence and metastasis were documented. Laparoscopic tumor excision, when adhering to the principles of surgical oncology, seems feasible and the prognosisis favorable for such tumors.展开更多
基金the U.S.Department of Energy,Office of Science,Office of Basic Energy Sciences under Award Number DE-SC00010543(JWD)the Ford-Boeing-Northwestern Alliance(JES)+2 种基金support by DOE under Grant No.DE-FG02-07ER46433(BM and AT)The Dow Chemical Company(MA)and the National Science Foundation under grant DRL-1348800(CW)supported by the Office of Science of the U.S.Department of Energy under Contract No.DE-AC02-05CH11231.
文摘The Open Quantum Materials Database(OQMD)is a high-throughput database currently consisting of nearly 300,000 density functional theory(DFT)total energy calculations of compounds from the Inorganic Crystal Structure Database(ICSD)and decorations of commonly occurring crystal structures.To maximise the impact of these data,the entire database is being made available,without restrictions,at www.oqmd.org/download.In this paper,we outline the structure and contents of the database,and then use it to evaluate the accuracy of the calculations therein by comparing DFT predictions with experimental measurements for the stability of all elemental ground-state structures and 1,670 experimental formation energies of compounds.This represents the largest comparison between DFT and experimental formation energies to date.The apparent mean absolute error between experimental measurements and our calculations is 0.096 eV/atom.In order to estimate how much error to attribute to the DFT calculations,we also examine deviation between different experimental measurements themselves where multiple sources are available,and find a surprisingly large mean absolute error of 0.082 eV/atom.Hence,we suggest that a significant fraction of the error between DFT and experimental formation energies may be attributed to experimental uncertainties.Finally,we evaluate the stability of compounds in the OQMD(including compounds obtained from the ICSD as well as hypothetical structures),which allows us to predict the existence of~3,200 new compounds that have not been experimentally characterised and uncover trends in material discovery,based on historical data available within the ICSD.
文摘The Cucurbita genus contains several economically important species in the Cucurbitaceae family. Here, we report high-quality genome sequences of C. maxima and C. moschata and provide evidence supporting an allotetraploidization event in Cucurbita. We are able to partition the genome into two homoeologous subgenomes based on different genetic distances to melon, cucumber, and watermelon in the Benincaseae tribe. We estimate that the two diploid progenitors successively diverged from Benincaseae around 31 and 26 million years ago （Mya）, respectively, and the allotetraploidization happened at some point between 26 Mya and 3 Mya, the estimated date when C. maxima and C. moschata diverged. The subgenomes have largely maintained the chromosome structures of their diploid progenitors. Such long-term karyotype stability after polyploidization has not been commonly observed in plant polyploids. The two subgenomes have retained similar numbers of genes, and neither subgenome is globally dominant in gene expression. Allele-specific expression analysis in the C. maxima ×C. moschata interspecific F1 hybrid and their two parents indicates the predominance of trans-regulatory effects underlying expression divergence of the parents, and detects transgressive gene expression changes in the hybrid correlated with heterosis in important agronomic traits. Our study provides insights into polyploid genome evolution and valuable resources for genetic improvement of cucurbit crops.
文摘The prevalence of gestational diabetes mellitus(GDM)is increasing worldwide.This disease has many detrimental consequences for the woman,the unborn foetus and child.The management of GDM aims to mediate the effects of hyperglycaemia by controlling blood glucose levels.Along with pharmacology and dietary interventions,exercise has a powerful potential to assist with blood glucose control.Due to the uncertainty of risks and benefits of exercise during pregnancy,women tend to avoid exercise.However,under adequate supervision exercise is both safe and beneficial in the treatment of GDM.Therefore it is vital that exercise is incorporated into the continuum of care for women with GDM.Medical doctors should be able to refer to competently informed exercise professionals to aid in GDM treatment.It is important that exercise treatment is informed by research.Hence,the development of evidence-based guidelines is important to inform practice.Currently there are no guidelines for exercise in GDM.This review aims to assess the efficacy of exercise for the management of GDM in order to establish an exercise prescription guideline specific to the condition.It is recommended that women with GDM should do both aerobic and resistance exercise at a moderate intensity,a minimum of three times a week for 30-60min each time.
基金This work was partially supported by the USDA/NIFA Interagency Climate Change Grant Proposal number 2014-02114[Project number 6657-12130-002-08I,Accession number 1003011]under the Multi-Partner Call on Agricultural Greenhouse Gas Research of the FACCE-Joint Program Initiative.The German BLE and FACCE-JPI funded the German participants of the“DesignerChar4Food”(D4F)project(CK:Project No.2814ERA01A,NW-M:Project No.2814ERA02A)the Spanish colleagues(JME and TFM)were funded by FACCE-CSA no 276610/MIT04-DESIGN-UPVASC and IT-932-16,MLC thanks the Spanish Ministry of Science,Innovation and Universities,project#RTI2018-099417-B-I00+3 种基金cofinanced with EU FEDER funds and US colleagues(JN,JI and KS)were funded by The USDA-National Institute of Food and Agriculture(Project#2014-35615-21971)USDA-ARS CHARnet and GRACENet programs–D4F greatly stimulated discussions.Any opinions,findings,or recommendation expressed in this publication are those of the authors and do not necessarily reflect the view of the USDAThis work was also partially supported by the National Natural Science Foundation of China under a Grant number of 41501339,21677119,21277115,41301551,21407123,Jiangsu Province Science Foundation for Youths under a grant number of BK20140468,sponsored by Qing Lan ProjectOpen access funding provided by Natural Resources Institute Finland(LUKE).
文摘Various studies have established that feedstock choice,pyrolysis temperature,and pyrolysis type influence final biochar physicochemical characteristics.However,overarching analyses of pre-biochar creation choices and correlations to biochar characteristics are severely lacking.Thus,the objective of this work was to help researchers,biochar-stakeholders,and practitioners make more well-informed choices in terms of how these three major parameters influence the final biochar product.Utilizing approximately 5400 peer-reviewed journal articles and over 50,800 individual data points,herein we elucidate the selections that influence final biochar physical and chemical properties,total nutrient content,and perhaps more importantly tools one can use to predict biochar’s nutrient availability.Based on the large dataset collected,it appears that pyrolysis type(fast or slow)plays a minor role in biochar physico-(inorganic)chemical characteristics;few differences were evident between production styles.Pyrolysis temperature,however,affects biochar’s longevity,with pyrolysis temperatures>500℃ generally leading to longer-term(i.e.,>1000 years)half-lives.Greater pyrolysis temperatures also led to biochars containing greater overall C and specific surface area(SSA),which could promote soil physico-chemical improvements.However,based on the collected data,it appears that feedstock selection has the largest influence on biochar properties.Specific surface area is greatest in wood-based biochars,which in combination with pyrolysis temperature could likely promote greater changes in soil physical characteristics over other feedstock-based biochars.Crop-and other grass-based biochars appear to have cation exchange capacities greater than other biochars,which in combination with pyrolysis temperature could potentially lead to longer-term changes in soil nutrient retention.The collected data also suggest that one can reasonably predict the availability of various biochar nutrients(e.g.,N,P,K,Ca,Mg,Fe,and Cu)based on feedstock choi
文摘Gastrointestinal stromal tumors (GISTs) are rare gastrointestinal malignancies. They are rarely seen near the urinary tract. In a literature review, only one case of GIST presenting as a left adrenal tumor was reported. We report two documented cases of gastric GISTs mimicking left adrenal tumors which were successfully treated with pure laparoscopic adrenalectomy and wedge resection of the stomach by excising the tumor from the stomach with serial fi ring of endoscopic gastrointestinal staplers. The surgical margins were clear, and the patients recovered smoothly. No adjuvant therapy with imatinib was prescribed. During the surveillance for 9 mo and 44 mo respectively, no tumor recurrence and metastasis were documented. Laparoscopic tumor excision, when adhering to the principles of surgical oncology, seems feasible and the prognosisis favorable for such tumors.
