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npj.Computational Materials 2020年第1期6卷 998-1003页

作者： Siddharth Deshpande Tristan Maxson jeffrey Greeley Davidson School of Chemical Engineering Purdue University480 W Stadium Mall DriveWest LafayetteIN 47907USA

Heterogeneous catalysts constitute a crucial component of many industrial processes,and to gain an understanding of the atomicscale features of such catalysts,ab initio density functional theory is widely ***,growing computational power has permitted the extension of such studies to complex reaction networks involving either high adsorbate coverages or multidentate adsorbates,which bind to the surface through multiple *** all possible adsorbate configurations for such systems,however,is often not possible based on chemical intuition *** systematically treat such complexities,we present a generalized Python-based graph theory approach to convert atomic scale models into undirected graph *** representations,when combined with workflows such as evolutionary algorithms,can systematically generate high coverage adsorbate models and classify unique minimum energy multidentate adsorbate configurations for surfaces of low symmetry,including multi-elemental alloy surfaces,steps,and kinks.

关键词： configuration theory catalysis

Heterogeneity and renal mass biopsy:a review of its role and reliability

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Cancer Biology & Medicine 2014年第3期11卷 162-172页

作者： jeffrey j.Tomaszewski Robert G.Uzzo Marc C.Smaldone Division of Urology Department of SurgeryMD Anderson Cancer Center at CooperRowan University School of MedicineCamdenNJ08103USA Division of Urologic Oncology Department of Surgical OncologyFox Chase Cancer Center-Temple University Health SystemPhiladelphiaPA19111USA

Increased abdominal imaging has led to an increase in the detection of the incidental small renal mass(SRM). With increasing recognition that the malignant potential of SRMs is heterogeneous, ranging from benign(15%-20%) to aggressive(20%), enthusiasm for more conservative management strategies in the elderly and infirmed, such as active surveillance(AS), have grown considerably. As the management of the SRM evolves to incorporate ablative techniques and AS for low risk disease, the role of renal mass biopsy(RMB) to help guide individualized therapy is evolving. Historically, the role of RMB was limited to the evaluation of suspected metastatic disease, renal abscess, or lymphoma. However, in the contemporary era, the role of biopsy has grown, most notably to identify patients who harbor benign lesions and for whom treatment, particularly the elderly or frail, may be avoided. When performing a RMB to guide initial clinical decision making for small, localized tumors, the most relevant questions are often relegated to proof of malignancy and documentation(if possible) of grade. However, significant intratumoral heterogeneity has been identified in clear cell renal cell carcinoma(ccRCC) that may lead to an underestimation of the genetic complexity of a tumor when single-biopsy procedures are used. Heterogeneous genomic landscapes and branched parallel evolution of ccRCCs with spatially separated subclones creates an illusion of clonal dominance when assessed by single biopsies and raises important questions regarding how tumors can be optimally sampled and whether future evolutionary tumor branches might be predictable and ultimately targetable. This work raises profound questions concerning the genetic landscape of cancer and how tumor heterogeneity may affect, and possibly confound, targeted diagnostic and therapeutic interventions. In this review, we discuss the current role of RMB, the implications of tumor heterogeneity on diagnostic accuracy, and highlight promi

关键词： Renal cell carcinoma(RCC) renal mass biopsy(RMB) tumor heterogeneity

Processing Effects on Phytochemical Content and Antioxidative Potential of Ginger <i>Zingiber officale</i>

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Food and Nutrition Sciences 2015年第5期6卷 445-451页

作者： R. Offei-Oknye j. patterson L. T. Walker Martha Verghese Nutrition and Carcinogenesis Laboratory Department of Food & Animal Sciences Alabama A&M University Normal AL USA Food Chemistry Laboratory Department of Food & Animal Sciences Alabama A&M University Normal AL USA

Ginger (Zingiber officinale) is rich in antioxidants and phytochemicals with anti-inflammatory, antimicrobial and anticancer properties. Ginger has been used as a condiment and for the treatment of ailments for many years. However, there are limited studies on the antioxidant and scavenging power of processed ginger. The obj.ctives of this study were to determine the effects that processing has on the total phenolic and flavanoid content of ginger and its antioxidant potential using 1,1-Diphenyl-2-picrylhydr.zyl (DPPH), Radical-Scavenging Activity and Ferric Reducing Antioxidant Power (FRAP). Fresh ginger (FG) was used as a control with oven dr.ing (OD) sun dr.ing (SD) and freeze dr.ing (FD) as processing methods. Freeze-dr.ed ginger (77.87%) showed a significantly higher (p dr.ed ginger had the highest ferric-reducing antioxidant power at 35.28 ± 0.69 mmol Fe (II)/mg ginger. Total phenolic content content (mg GAE/100g) for fresh, oven died, sun-dr.ed, and freeze-dr.ed were 514.02 ± 3.92, 796.46 ± 8.16, 878.76 ± 13.17, and 1021.15 ± 12.95, respectively. Flavanoid content of processed ginger was highest in freeze-dr.ed samples (458.82 CE/100g ginger).

关键词： Ginger Phenolic Compound Flavonoid Compound DPPH

Sizing up feature descriptors for macromolecular machine learning with polymeric biomaterials

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npj.Computational Materials 2023年第1期9卷 1287-1296页

作者： Samantha Stuart jeffrey Watchorn Frank X.Gu Institute of Biomedical Engineering University of TorontoTorontoOntarioCanada Department of Chemical Engineering and Applied Chemistry University of TorontoTorontoOntarioCanada

It has proved challenging to represent the behavior of polymeric macromolecules as machine learning features for biomaterial interaction *** are several approaches to this representation,yet no consensus for a universal representational framework,in part due to the sensitivity of biomacromolecular interactions to polymer *** help navigate the process of feature engineering,we provide an overview of popular classes of data representations for polymeric biomaterial machine learning while discussing their merits and ***,increasing the accessibility of polymeric biomaterial feature engineering knowledge will contribute to the goal of accelerating clinical translation from biomaterials discovery.

关键词： properties prediction biomaterials

Correlation of in vivo tumor response and singlet oxygen luminescence detection in mTHPC-mediated photodynamic therapy

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j.urnal of Innovative Optical Health Sciences 2015年第1期8卷 106-112页

作者： Brian C.Wilson Michael S.patterson Buhong Li Mark T.j.rvi Department of Medical Biophysics University of Toronto/University Health Network Toronto Ontario M5G 1L7Canada j.ravinski Cancer Centre and McMaster University Hamilton Ontario L8V 5C2Canada MOE Key Laboratory of OptoElectronic Science and Technology for Medicine Fuj.an Provincial Key Laboratory for Photonics Technology Fuj.an Normal University FuzhouFujian 350007P.R.China

Excited-state singlet axygen(^(1)O_(2)),generated during photodynamic therapy(PDT),is believed to be the primary cytotoxic agent with a number of clinically approved *** relative concentration in cells or tissues can be measured directly through its near-infrared(NIR)luminescence emission,which has correlated well with in vitro cell and in triro normal skin treatment ***,its correlation with the response of tumor tiss1e in vito is examined,using the photosensitizer meso-tetralydr.xyphenylchlorin(mTHPC)in an animal model comprising luciferase-and green fluorescent protein(GFP)-transduced gliosarcoma grown in a dorsal window *** change in the bioluminescence signal,imaged pre-treatment and at 2,5 and 9 d post treatment,was used as a quantitative measure of the tumor response,which was classified in individual tumors as"non","moderate"and"strong"in order to reduce the variance in the *** the bioluminescence-based response vs the^(1)O_(2)counts demonstrated clear correlation,indicating tha^(1)O_(2)luminescence provides a valid do-simetric technique for PDT in tumor tissue.

关键词： Photodynamice therapy singlet axygen lumninescence dosinetry bioluminescence

Glutamate reduces experimental intestinal hyperpermeability and facilitates glutamine support of gut integrity

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World j.urnal of Gastroenterology 2011年第12期17卷 1569-1573页

作者： Mechteld AR Vermeulen jeffrey de j.ng Mathij. j.Vaessen Paul AM van Leeuwen Alexander Pj.Houdij. Department of Surgery VU University Medical Center1007 MB AmsterdamThe Netherlands Department of Surgery Gemini Hospital1782 GZ Den HelderThe Netherlands Department of Surgery Medical Center Alkmaar1815 JD AlkmaarThe Netherlands

AIM:To assess whether glutamate plays a similar role to glutamine in preserving gut wall ***:The effects of glutamine and glutamate on induced hyperpermeability in intestinal cell lines were *** hyperpermeability was induced in *** and HT-29CL.19A cell lines by adding phorbol-12,13-dibutyrate(PDB) apically,after which the effects of glutamine and glutamate on horseradish peroxidase(HRP) diffusion were *** inhibitor of glutamate transport(L-trans-pyrrolidine-2,4-dicarboxylic acid:trans-PDC) and an irreversible blocker(acivicin) of the extracellular glutamine to glutamate converting enzyme,γ-glutamyltransferase,were ***:Apical to basolateral HRP flux increased significantly compared to controls not exposed to PDB (n=30,P<0.001).Glutamine application reduced hyperpermeability by 19%and 39%in the respective cell *** application reduced hyperpermeability by 30%and 20%,*** of HT29CL.19A cells with acivicin and subsequent PDB and glutamine addition increased permeability *** of *** cells with trans-PDC followed by PDB and glutamate addition also resulted in high permeability ***:Apical glutamate-similar to glutaminecan decrease induced paracellular *** conversion of glutamine to glutamate and subsequent uptake of glutamate could be a pivotal step in the mechanism underlying the protective effect of glutamine.

关键词： Apical Basolateral Flux Glutamate Glutamine Gut protection Gut wall integrity Intestine Permeability

Dystrophic calcification and heterotopic ossification in fibrocartilaginous tissues of the spine in diffuse idiopathic skeletal hyperostosis(DISH)

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Bone Research 2020年第2期8卷 209-218页

作者： Dale E.Fournier Patti K.Kiser Ryan j.Beach S.jeffrey Dixon Cheryle A.Séguin Health and Rehabilitation Sciences(Physical Therapy) Faculty of Health SciencesThe University of Western OntarioLondonON N6A 5B9Canada Bone and j.int Institute The University of Western OntarioLondonON N6G 2V4Canada Department of Laboratory Medicine and Pathology Schulich School of Medicine&DentistryThe University of Western OntarioLondonON N6A 5C1Canada Department of Physiology and Pharmacology Schulich School of Medicine&DentistryThe University of Western OntarioLondonON N6A 5C1Canada

Diffuse idiopathic skeletal hyperostosis(DISH) is a prevalent noninflammatory spondyloarthropathy characterized by ectopic mineral formation along the anterolateral aspect of the vertebral column, yet little is known about its underlying pathogenesis. Our obj.ctive was to evaluate the histopathological features and composition of ectopic mineral within spinal tissues affected by DISH in humans. Thoracic spine segments from six embalmed cadaveric donors(one female and five males;median age 82 years)meeting the radiographic diagnostic criteria for DISH were evaluated using radiological, histological, and physical analyses. Overall,the histological features of ectopic mineralization at individual motion segments were heterogeneous, including regions of heterotopic ossification and dystrophic calcification. Heterotopic ossifications were characterized by woven and lamellar bone,multifocal areas of metaplastic cartilage, and bony bridges along the anterior aspect of the intervertebral disc space. Dystrophic calcifications were characterized by an amorphous appearance, a high content of calcium and phosphorus, an X-ray diffraction pattern matching that of hydr.xyapatite, and radiodensities exceeding that of cortical bone. Dystrophic calcifications were found within the anterior longitudinal ligament and annulus fibrosus in motion segments both meeting and not meeting the radiographic criteria for DISH. In summary, our findings indicate that in DISH, ectopic mineral forms along the anterior aspect of the spine by both heterotopic ossification and dystrophic calcification of fibrocartilaginous tissues. Although both types of ectopic mineralization are captured by current radiographic criteria for DISH, dystrophic calcification may reflect a distinct disease process or an early stage in the pathogenesis of DISH.

关键词： DISH ossification calcification

Endoscopy is of low yield in the identification of gastrointestinal neoplasia in patients with dermatomyositis: A cross-sectional study

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World j.urnal of Gastroenterology 2017年第26期23卷 4788-4795页

作者： Trilokesh D Kidambi Gabriela Schmaj.k Andr.w j.Gross j.mes W Ostroff j.nathan P Terdiman jeffrey K Lee Division of Gastroenterology University of California Division of Rheumatology University of California Division of Rheumatology San Francisco Veterans Affairs Medical Center

To determine the prevalence of gastrointestinal neoplasia among dermatomyositis patients who underwent an esophagogastroduodenoscopy and/or colonoscopy. METHODSA cross-sectional study examining the results of upper endoscopy and colonoscopy in adults with dermatomyositis at an urban, university hospital over a ten year period was performed. Chart review was performed to confirm the diagnosis of dermatomyositis. Findings on endoscopy were collected and statistical analyses stratified by age and presence of symptoms were performed. RESULTSAmong 373 adult patients identified through a code based search strategy, only 163 patients had dermatomyositis confirmed by chart review. Of the 47 patients who underwent upper endoscopy, two cases of Barrett’s esophagus without dysplasia were identified and there were no cases of malignancy. Of the 67 patients who underwent colonoscopy, no cases of malignancy were identified and an adenoma was identified in 15% of cases. No significant differences were identified in the yield of endoscopy when stratified by age or presence of symptoms. CONCLUSIONThe yield of endoscopy is low in patients with dermatomyositis and is likely similar to the general population; we identified no cases of malignancy. A code based search strategy is inaccurate for the diagnosis of dermatomyositis, calling into question the results of prior population-based studies. Larger studies with rigorously validated search strategies are necessary to understand the risk of gastrointestinal malignancy in patients with dermatomyositis.

关键词： Endoscopy Dermatomyositis Colon cancer Screening

Amplified fragment length polymorphism analysis supports the valid separate species status of Lucilia caesar and *** (Diptera: Calliphoridae)

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Forensic Sciences Research 2018年第1期3卷 60-64页

作者： Christine j.Picard jeffrey D.Wells Anne Ullyot Knut Rognes Department of Biology&Forensic and Investigative Sciences Program Indiana University-Purdue University IndianapolisIndianapolisINUSA Department of Biological Sciences&International Forensic Research Institute Florida International UniversityMiamiFLUSA Biological Sciences University of ChicagoChicagoILUSA Department of Early Childhood Education Faculty of Arts and EducationUniversity of StavangerStavangerNorway

Common DNA-based species determination methods fail to distinguish some blow flies in the forensically and medically important genus Lucilia *** is a practical problem,and it has also been interpreted as casting doubt on the validity of some morphologically defined *** example is Lucilia illustris and ***,which co-occur in Europe whilst only *** has been collected in North *** that these species shared both mitochondr.al and nuclear gene sequences,along with claims that diagnostic morphological characters are difficult to interpret,were used to question their separate species *** report here that amplified fragment length polymorphism profiles strongly support the validity of both species based on both assignment and phylogenetic analysis,and that traditional identification criteria based on male and female genital morphology are more reliable than has been claimed.

关键词： Forensic science forensic entomology Calliphoridae Lucilia caesar Lucilia illustris taxonomy AFLP analysis

The Microenvironment within and Pollen Transmission through Polyethylene Sorghum Pollination Bags

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American j.urnal of Plant Sciences 2015年第2期6卷 265-274页

作者： Dennis C. Gitz jeffrey T. Baker Zhanguo Xin j.hn j. Burke Robert j. Lascano United States Department of Agriculture-Agricultural Research Service# Wind Erosion and Water Conservation Unit Lubbock Texas USA United States Department of Agriculture-Agricultural Research Service Wind Erosion and Water Conservation Unit Big Spring Texas USA United States Department of Agriculture-Agricultural Research Service Plant Stress and Germplasm Development Unit Lubbock Texas USA

Bird damage is a problem in sorghum breeding and germplasm maintenance operations. Paper pollination bags are damaged by rain and provide minimal deterrent to birds. Earlier we reported upon bird resistance of spun polyethylene pollination bags. Herein, we report the potential for pollen transmission through, and the microenvironment within, hard form (HfT) and soft form (SfT) spun polyethylene pollination bags as compared to traditional Paper pollination bags. Within Paper pollination bags morning temperatures were 10°C - 15°C above ambient and high temperature excursions as high as 45°C were measured. Heating in Sft and HfT was 25% and 50% that of Paper, respectively. Temperature differences between bags were attributed to differences in albedo and air permeability of the bag materials. No difference in pollen transmission through Paper and HfT was found. Although SfT allowed 35% - 40% wind borne pollen through the pores as compared to controls, male sterile plants covered with SfT produced only 30 seeds/panicle, about 1% of a self-pollinating fertile plant. Our results suggested that SfT could adequately reduce or eliminate cross-pollination in self-pollinating plants while maintaining near ambient environmental conditions.

关键词： Sorghum Breeding Pollination Bags Bird Damage