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Accelerating materials discovery using artificial intelligence, high performance computing and robotics

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npj Computational Materials 2022年第1期8卷 767-775页

作者： edward O.Pyzer-knapp Jed W.Pitera Peter W.J.Staar Seiji Takeda Teodoro Laino Daniel P.Sanders James Sexton john R.Smith Alessandro Curioni IBM Research Europe-Daresbury DaresburyUK IBM Almaden Research Centre San JoseCAUSA IBM Research Europe Zurich RüschlikonSwitzerland IBM Research Tokyo TokyoJapan IBM Thomas J.Watson Research Centre Yorktown HeightsNYUSA

New tools enable new ways of working,and materials science is no *** materials discovery,traditional manual,serial,and human-intensive work is being augmented by automated,parallel,and iterative processes driven by Artificial Intelligence (AI),simulation and experimental *** this perspective,we describe how these new capabilities enable the acceleration and enrichment of each stage of the discovery *** show,using the example of the development of a novel chemically amplified photoresist,how these technologies’ impacts are amplified when they are used in concert with each other as powerful,heterogeneous workflows.

关键词： artificial computing enable

Assembly of IMPDH2-Based,CTPS-Based,and Mixed Rod/Ring Structures Is Dependent on Cell Type and Conditions of Induction

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Journal of Genetics and Genomics 2015年第6期42卷 287-299页

作者： Gerson Dierley keppeke S.john Calise edward k.L.Chan Luis Eduardo C.Andrade Rheumatology Division Federal University of Sao Paulo Department of Oral Biology University of Florida Immunology Division Fleury Medicine and Health Laboratories

Inhibition of guanosine triphosphate（GTP） and cytidine triphosphate（CTP） biosynthetic pathways induces cells to assemble rod/ring（RR） structures,also named cytoophidia,which consist of the enzymes cytidine triphosphate synthase（CTPS） and inosine-50-monophosphate dehydrogenase 2（IMPDH2）.We aim to explore the interaction of CTPS and IMPDH2 in the generation of RR *** La and COS-7 cells were cultured in normal conditions or in the presence of 6-diazo-5-oxo-L-norleucine（DON）,ribavirin,or mycophenolic acid（MPA）.Over 90% of DON-treated cells presented RR *** He La cells,35% of the RR structures were positive for IMPDH2 alone,26% were CTPS alone,and 31% were IMPDH2/CTPS mixed,while in COS-7 cells,42% of RR were IMPDH2 alone,41% were CTPS alone,and 10% were IMPDH2/CTPS *** and MPA treatments induced only IMPDH2-based *** were also transfected with an N-terminal hemagglutinin（NHA）-tagged CTPS1 *** 95% of NHA-CTPS1 transfected cells with DON treatment presented IMPDH2-based RR and almost 100% presented CTPS1-based RR;when treated with ribavirin,over 94% of transfected cells presented IMPDH2-based RR and 37% presented CTPS1-based RR,whereas 2% of untreated transfected cells presented IMPDH2-based RR and 28% presented CTPS1-based *** results may help in understanding the relationship between CTP and GTP biosynthetic pathways,especially concerning the formation of filamentous RR structures.

关键词： Nucleotide synthesis Enzyme aggregation Enzyme inhibition IMPDH2 CTPS

Carbon Supply and the Regulation of Cell Wa Synthesis

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Molecular Plant 2018年第1期11卷 75-94页

作者： Jana Verbancic john edward Lunn Mark Stitt Staffan Persson Max Planck Institute of Molecular Plant Physiology Am Muhlenberg 1 14476 Potsdam-Golm Germany School of Biosciences University of Melbourne Parkville VIC 3010 Australia

All plant cells are surrounded by a cell wall that determines the directionality of cell growth and protects the cell against its environment. Plant cell walls are comprised primarily of polysaccharides and represent the largest sink for photosynthetically fixed carbon, both for individual plants and in the terrestrial biosphere as a whole. Cell wall synthesis is a highly sophisticated process, involving multiple enzymes and metabolic intermediates, intracellular trafficking of proteins and cell wall precursors, assembly of cell wall polymers into the extracellular matrix, remodeling of polymers and their interactions, and recycling of cell wall sugars. In this review we discuss how newly fixed carbon, in the form of UDP-glucose and other nucleotide sugars, contributes to the synthesis of cell wall polysaccharides, and how cell wall synthesis is influenced by the carbon status of the plant, with a focus on the model species Arabidopsis （Arabidopsis thaliana）.

关键词： carbon availability cell walls nucleotide sugars sucrose synthase

Construction of Non-Symmetric Balanced Incomplete Block Design through Combination of Symmetric Disjoint Balanced Incomplete Block Designs

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Open Journal of Statistics 2023年第6期13卷 789-802页

作者： Troon john Benedict Onyango Fredrick karanjah Anthony Njuguna edward Department of Economics Maasai Mara University Narok Kenya Department of Mathematics and Actuarial Science Maseno University Luanda Kenya Department of Mathematics Multimedia University Nairobi Kenya Department of Mathematics and Physical Science Maasai Mara University Narok Kenya

The existence of several non-symmetric balanced incomplete block designs (BIBDs) is still unknown. This is because the non-existence property for non-symmetric BIBDs is still not known and also the existing construction methods have not been able to construct these designs despite their design parameters satisfying the necessary conditions for the existence of BIBD. The study aimed to bridge this gap by introducing a new class of non-symmetric BIBDs. The proposed class of BIBDs is constructed through the combination of disjoint symmetric BIBDs. The study was able to determine that the total number of disjoint symmetric BIBDs (n) with parameters (v = b, r = k, λ) that can be obtained from an un-reduced BIBD with parameters (v, k) is given by n = r - λ. When the n symmetric disjoint BIBDs are combined, then a new class of symmetric BIBDs is formed with parameters v* = v, b* = nb, r* = nr, k* = k, λ* = λ, where 2≤ n ≤ r - λ. The study established that the non-existence property of this class of BIBD was that when is not a perfect square then v should be even and when v* is odd then the equation should not have a solution in integers x, y, z which are not all simultaneously zero. In conclusion, the study showed that this construction technique can be used to construct some non-symmetric BIBDs. However, one must first construct the disjoint symmetric BIBDs before one can construct the non-symmetric BIBD. Thus, the disjoint symmetric BIBDs must exist first before the non-symmetric BIBDs exist.

关键词： Disjoint Symmetric BIBD Un-Reduced BIBD Combination Symmetric BIBD Non-Symmetric BIBD Non-Existence of BIBD

Barriers to the Growth of Small and Medium Scale Construction Enterprises in Ghana

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Open Journal of Civil Engineering 2022年第1期12卷 38-55页

作者： Simon Ofori Ametepey Emmanuel Yaw Frempong Jnr john edward Cobbina Department of Building Technology Koforidua Technical University Koforidua Ghana

The construction industry in most developing economies is dominated heavily by small and medium scale enterprises. These construction enterprises need to thrive in an extremely competitive business environment. Conversely, most of these small and medium scale construction enterprises (SMSCE) are fraught with a plethora of barriers that inhibit and threaten their growth and survival. This research sought to evaluate the critical barriers that affect the growth of SMSCEs in the Ghanaian Construction Industry. The quantitative research method was adopted using a structured questionnaire with variables that were identified through a comprehensive literature review. The survey questionnaire was administered to 400 respondents comprising 250 SMSCEs, 100 Local Authority Engineers, and 50 Consultants to elicit data based on the identified variables. The major findings established by the study as barriers to the growth of SMSCEs in Ghana are largely structured as financial/fiscal barriers, business development barriers, technical/technological barriers, corruption barriers, knowledge management barriers, project acquisition barriers. A guiding framework should be developed based on the barriers identified to aid the growth and survival of SMSCEs in Ghana.

关键词： Barriers Business Growth Business Survival Developing Countries Small and Medium Scale Enterprise SME

Weakly-and Semisupervised Probabilistic Segmentation and Quantification of Reverberation Artifacts

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Biomedical Engineering Frontiers 2022年第1期3卷 67-81页

作者： Alex Ling Yu Hung edward Chen john Galeotti Department of Biomedical Engineering Carnegie Mellon UniversityPittsburghPAUSA Robotics Institute Carnegie Mellon UniversityPittsburghPAUSA

Objective and Impact *** propose a weakly-and semisupervised,probabilistic needle-and-reverberation-artifact segmentation algorithm to separate the desired tissue-based pixel values from the superimposed *** method models the intensity decay of artifact intensities and is designed to minimize the human labeling *** image quality has continually been ***,when needles or other metallic objects are operating inside the tissue,the resulting reverberation artifacts can severely corrupt the surrounding image *** effects are challenging for existing computer vision algorithms for medical image *** reverberation artifacts can be hard to identify at times and affect various pixel values to different *** boundaries of such artifacts are ambiguous,leading to disagreement among human experts labeling the *** learning-based framework consists of three *** first part is a probabilistic segmentation network to generate the soft labels based on the human *** soft labels are input into the second part which is the transform function,where the training labels for the third part are *** third part outputs the final masks which quantifies the reverberation *** demonstrate the applicability of the approach and compare it against other segmentation *** method is capable of both differentiating between the reverberations from artifact-free patches and modeling the intensity fall-off in the *** method matches state-of-the-art artifact segmentation performance and sets a new standard in estimating the per-pixel contributions of artifact vs underlying anatomy,especially in the immediately adjacent regions between reverberation *** algorithm is also able to improve the performance of downstream image analysis algorithms.

关键词： image probabilistic anatomy

Overprescription of opioid analgesia is common following ambulatory Otolaryngology—Head and Neck surgery procedures: A multicenter study

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World Journal of Otorhinolaryngology-Head and Neck Surgery 2022年第2期8卷 145-151页

作者： Amr F.Hamour Frederick Laliberte Jordan Levy Jason Xu edward Park Vincent Lin john de Almeida Julie Strychowsky Antoine Eskander Eric Monteiro Department of Otolaryngology-Head and Neck Surgery University of TorontoTorontoOntarioCanada Department of Otolaryngology-Head and Neck Surgery London Health Sciences CentreLondonOntarioCanada Department of Otolaryngology-Head and Neck Surgery Mount Sinai HospitalTorontoOntarioCanada

Background: The rise in the use of prescription opioids for postoperative analgesia within surgery has mirrored an increased trend of opioid-related morbidity within Canada and the United States. This study prospectively studied daily pain levels and medication requirements postoperatively in patients undergoing elective Otolaryngology—Head and Neck surgery ***: Patients were asked to prospectively document their pain level and medication use daily for 7 days postoperatively. A final survey was used to quantify unused medication left at home and clarify each patient's disposal plan. We included patients undergoing elective outpatient or short stay surgeries from three tertiary care centers in Toronto, Ontario from September 2016 to September 2017. Previous opioids users or patients suffering from chronic pain were ***: A final cohort of 56 eligible adult patients were included in the study. The most common procedures were thyroidectomy (n = 19), endoscopic sinus surgery (n= 10), tympanoplasty/ossiculoplasty (n= 7), and cochlear implant (n = 5). Most patients received a prescription for acetaminophen/codeine (n = 29, 51.8%) or acetaminophen/oxycodone (n = 22, 39.3%) and used on average 29% of their initial prescription. Patients most commonly opted to keep their unused narcotics at home (n = 23, 41%). A total of 710 tablets of narcotics were overprescribed in our study population, 351 of which were kept in patients'' home for future ***: There is a clear tendency to overestimate postoperative pain resulting in significant overprescription of opioids among Otolaryngologists.

关键词： analgesia health policy opioid quality improvement quality of life

C1C2 Wiring and Posttraumatic Atlantoaxial Dislocation: An Effective and Cheap Surgical Procedure in a Developing Country

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Surgical Science 2024年第5期15卷 357-370页

作者： Ibrahim Dao Massimiliano Visocchi Salah Sow john Jabang Ousmane Ouattara Astride Somda Abdoulaye Sanou Elie Dibloni Nassoum Arsène Tossou Narcisse Ouedraogo Frédéric Bako Massadiami Soulama Malick Diallo Patrick Wendpouiré Hamed Dakouré Department of Neurosurgery University Hospital Souro Sanou Nazi Boni University Bobo Dioulasso Burkina Faso High Institute of Health Sciences Nazi Boni University Bobo Dioulasso Burkina Faso Military Hospital Colonel Major Tanguet Ouattara Bobo Dioulasso Burkina Faso Institute of Neurosurgery Craniovertebral Junction Surgery Unit School of Medicine Catholic University Rome Italy Department of Radiology and Medical Imaging University Hospital Yalgado Ouedraogo Joseph Ki-Zerbo University Ouagadougou Burkina Faso Department of Neurosurgery (Unit) Edward Francis Small Teaching Hospital Banjul Gambia Department of Neurosurgery University Hospital Yalgado Ouedraogo Joseph Ki-Zerbo University Ouagadougou Burkina Faso Department of Neurosurgery Military Hospital Capitaine Halassane Coulibaly Ouagadougou Burkina Faso Department of Orthopedic Surgery University Hospital Souro Sanou Nazi Boni University Bobo Dioulasso Burkina Faso

Objectives: Atlantoaxial dislocation remains a rare and serious condition with a high preoperative and postoperative morbidity and mortality. Its successful surgical management is still challenging and gratifying for neurosurgeons. Several technics have been described such as wiring, trans articular screwing, C1C2 screwing with plate and screw introduced by Goel et al., and modified by insertion of polyaxially screw and rod many years later by Harms. Unavailability and expensiveness of upper cervical spine instrumentation device led us to C1C2 Wiring resulting in a good outcome. Finally, a quadriplegic patient with a more comfortable financial condition had ordered devices from abroad and benefit for Goel and Harms screwing technique and improved dramatically from ASIA A to ASIA E. Material and methods: This is a retrospective study of patients managed in our department by a same neurosurgeon from January 2019 to April 2024. Results: We defined 6 men and 1 woman with an average age of 33 years. Unrestrained driver in a rollover motor vehicle accident was most common. Only one patient was neurologically intact on admission. Neurovegetative disorders were noticed in one patient. Dislocation was associated to a fracture of the dens in two patients. Three patients have been successfully operated with remarkable outcome, mostly from ASIA A to E. Conclusion: C1C2 dislocation is a serious condition and C1C2 Wiring represents an effective and cheaper technic. Therefore, this technic should deserve consideration above all in low incomes countries when screwing devices are not available. Seatbelt should be demanded for motor vehicle drivers and passengers.

关键词： Superior Cervical Spine Dislocation Fracture Wiring Screwing Neurovegetative Disorders

Recurrent ectopic pancreatitis of the jejunum and mesentery over a 30-year period

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Hepatobiliary & Pancreatic Diseases International 2011年第2期10卷 218-220页

作者： john CT Wong Charlotte Robinson edward C Jones Alison Harris Charles Zwirewich Robert Wakefield Richard k Simons Eric M Yoshida Department of Medicine Department of Medicine 2775 Laurel StreetUniversity of British Columbia VancouverBritish ColumbiaCanadaV5Z 1M9 Department of Radiology Department of Medicine 2775 Laurel StreetUniversity of British Columbia VancouverBritish ColumbiaCanadaV5Z 1M9 Department of Pathology and Laboratory Medicine Department of Medicine 2775 Laurel StreetUniversity of British Columbia VancouverBritish ColumbiaCanadaV5Z 1M9 Department of Surgery Department of Medicine 2775 Laurel StreetUniversity of British Columbia VancouverBritish ColumbiaCanadaV5Z 1M9 Division of Gastroenterology Department of Medicine 2775 Laurel StreetUniversity of British Columbia VancouverBritish ColumbiaCanadaV5Z 1M9

BACkGROUND:Ectopic pancreas is defined as pancreatic tissue found outside its usual anatomical position,with no ductal or vascular communication with the native pancreas. We describe a case of ectopic pancreas of the small bowel and mesentery causing recurrent episodes of pancreatitis, initially suspected on computed tomography(CT)and magnetic resonance cholangiopancreatography(MRCP),and confirmed on histological review of the resection. METHODS:A 67-year-old woman presented with clinical symptoms and biochemical evidence of *** had similar episodes over the past 30 years with unrevealing investigations,and was concluded to have idiopathic pancreatitis. She underwent CT and MRCP,with findings suggestive of ectopic pancreas,a diagnosis confirmed on histology of the resection. RESULTS:MRCP identified a mass in the proximal small bowel mesentery isointense to the native pancreas,with a small duct draining into a proximal jejunal *** resected specimen consisted of normal parenchyma with lobulated acinar tissue with scattered islets of Langerhans,an occasional ductular structure,and admixed areas of adipose *** patient remained asymptomatic with normal biochemistry six months post-operatively. CONCLUSION:In an individual with abdominal pain,elevated serum amylase/lipase,but imaging findings of a normal native pancreas,ectopic pancreatitis should be considered,and can be evaluated by CT and MRCP.

关键词： ectopic pancreas gastrointestinal tract endoscopic ultrasound computed tomography magnetic resonance cholangiopancreatography