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Electrocatalytic CO_(2) reduction to C_(2)H_(4): From lab to fab

Journal of Energy Chemistry 2024年第3期90卷 540-564,I0012页

作者： Zeyu Guo Fabao Yang Xiaotong Li Huiwen Zhu Hainam do Kam Loon Fow jonathan d.hirst Tao Wu Qiulin Ye Yaqi Peng Hao Bin Wu Angjian Wu Mengxia Xu department of Chemical and Environmental Engineering and New Materials InstituteUniversity of Nottingham Ningbo ChinaNingbo 315100ZhejiangChina Key Laboratory of Carbonaceous Waste Processing and Process Intensification of Zhejiang Province University of Nottingham Ningbo ChinaNingbo 315100ZhejiangChina Nottingham Ningbo China Beacons of Excellence Research and Innovation Institute University of Nottingham Ningbo ChinaNingbo 315100ZhejiangChina State Key Laboratory of Clean Energy Utilization Department of Energy EngineeringZhejiang UniversityHangzhou 310027ZhejiangChina Institute for Composites Science Innovation(InCSI)and State Key Laboratory of Silicon and Advanced Semiconductor Materials School of Materials Science and EngineeringZhejiang UniversityHangzhou 310027ZhejiangChina School of Chemistry University of NottinghamUniversity ParkNottingham NG72RDUK Baima Lake Laboratory Hangzhou 310053ZhejiangChina

The global concerns of energy crisis and climate change,primarily caused by carbon dioxide(CO_(2)),are of utmost ***,the electrocatalytic CO_(2) reduction reaction(CO_(2)RR) to high value-added multi-carbon(C_(2+)) products driven by renewable electricity has emerged as a highly promising solution to alleviate energy shortages and achieve carbon *** these C_(2+) products,ethylene(C_(2)H_(4))holds particular importance in the petrochemical ***,this review aims to establish a connection between the fundamentals of electrocatalytic CO_(2) reduction reaction to ethylene(CO_(2)RRto-C_(2)H_(4)) in laboratory-scale research(lab) and its potential applications in industrial-level fabrication(fab).The review begins by summarizing the fundamental aspects,including the design strategies of high-performance Cu-based electrocatalysts and advanced electrolyzer ***,innovative and value-added techniques are presented to address the inherent challenges encountered during the implementations of CO_(2)RR-to-C_(2)H_(4) in industrial ***,case studies of the technoeconomic analysis of the CO_(2)RR-to-C_(2)H_(4) process are discussed,taking into factors such as costeffectiveness,scalability,and market *** review concludes by outlining the perspectives and challenges associated with scaling up the CO_(2)RR-to-C_(2)H_(4) *** insights presented in this review are expected to make a valuable contribution in advancing the CO_(2)RR-to-C_(2)H_(4) process from lab to fab.

关键词： CO_(2) electroreduction reaction Ethylene Gas diffusion electrode Machine learning density functional theory Techno-economic analysis

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Accurate Force Field development for Modelling Macromolecular Assemblies Containing diketopyrrolopyrrole and Thiophene

Accurate Force Field Development for Modelling Macromolecula...

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2019中国化学会第十五届全国计算（机）化学学术会议

作者：江玲 jonathan d.hirst Hainam do 宁波诺丁汉大学 School of Chemistry University of Nottingham department of Chemical and Environmental Engineering University of Nottingham Ningbo China

It is challenging to find sufficiently accurate force fields for applications where equilibrium structures generated from classical molecular dynamics simulations are employed in post quantum chemistry calculations.1 One particular application is in the study of optical and electronic properties of materials and biomolecules. Many semiconducting polymers, molecular crystals and biological chromophores of interest exhibit complex chemical structures with extended-conjugation that prevent the use of standard force fields. Furthermore, large conjugated molecules require to use many atom types and parameters. They also tend to be system specific in most cases and not transferable.2 Thus, parameterising force fields for conjugated systems using existing approaches can be time demanding. In addition, it is desirable that the equilibrium structures generated from classical molecular dynamics simulations are as close as possible to those that would have been generated using the same level of theory as the post electronic structure calculations. We present a scheme, utilising the force matching procedure,3,4 to systematically parameterise new force fields for large conjugated systems. We apply the method to both conjugated polymers and molecular crystals that contain diketopyrrolopyrrole（dPP） and thiophene units. These systems have recently been found to have low band gap, which exhibit high effciency for photovoltaic devices. We use the newly parameterised force fields to model these systems and our molecular dynamics simulation results will help in the understanding of the molecular level origins of the high-efficiency of these classes of materials.

关键词： Conjugated Molecules Force Fields development Force-Matching Molecular dynamics Simulation

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On the calibration of a shear stress criterion for rock joints to represent the full stress-strain profile

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第2期16卷 379-392页

作者： Akram deiminiat jonathan d.Aubertin Yannic Ethier department of Construction Engineering École de Technologie Supérieure(ÉTS)MontréalCanada

Conventional numerical solutions developed to describe the geomechanical behavior of rock interfaces subjected to differential load emphasize peak and residual shear *** detailed analysis of preand post-peak shear stress-displacement behavior is central to various time-dependent and dynamic rock mechanic problems such as rockbursts and structural instabilities in highly stressed *** complete stress-displacement surface(CSdS)model was developed to describe analytically the pre-and post-peak behavior of rock interfaces under differential *** formulations of the CSdS model required extensive curve-fitting iterations which limited its practical applicability and transparent integration into engineering *** present work proposes modifications to the CSdS model aimed at developing a comprehensive and modern calibration protocol to describe the complete shear stressdisplacement behavior of rock interfaces under differential *** proposed update to the CSdS model incorporates the concept of mobilized shear strength to enhance the post-peak ***’s concepts of joint roughness coefficient(JRC)and joint compressive strength(JCS)are incorporated to facilitate empirical estimations for peak shear stress and normal closure ***/uniaxial compression test and direct shear test results are used to validate the updated model and exemplify the proposed calibration *** results illustrate that the revised model successfully predicts the post-peak and complete axial stressestrain and shear stressedisplacement curves for rock joints.

关键词： Full shear profile Post-peak shear behavior Rock joint Joint roughness coefficient(JRC) Axial stress-strain curve

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Use of machine learning models for the prognostication of liver transplantation: A systematic review

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World Journal of Transplantation 2024年第1期14卷 164-188页

作者： Gidion Chongo jonathan Soldera department of Gastroenterology University of South WalesCardiff CF371DLUnited Kingdom

BACKGROUNd Liver transplantation(LT)is a life-saving intervention for patients with end-stage liver ***,the equitable allocation of scarce donor organs remains a formidable *** tools are pivotal in identifying the most suitable transplant ***,scoring systems like the model for end-stage liver disease have been instrumental in this ***,the landscape of prognostication is undergoing a transformation with the integration of machine learning(ML)and artificial intelligence *** To assess the utility of ML models in prognostication for LT,comparing their performance and reliability to established traditional scoring *** Following the Preferred Reporting Items for Systematic Reviews and Meta-Analysis guidelines,we conducted a thorough and standardized literature search using the PubMed/MEdLINE *** search imposed no restrictions on publication year,age,or *** criteria encompassed non-English studies,review articles,case reports,conference papers,studies with missing data,or those exhibiting evident methodological *** Our search yielded a total of 64 articles,with 23 meeting the inclusion *** the selected studies,60.8%originated from the United States and China *** one pediatric study met the ***,91%of the studies were published within the past five *** models consistently demonstrated satisfactory to excellent area under the receiver operating characteristic curve values(ranging from 0.6 to 1)across all studies,surpassing the performance of traditional scoring *** forest exhibited superior predictive capabilities for 90-d mortality following LT,sepsis,and acute kidney injury(AKI).In contrast,gradient boosting excelled in predicting the risk of graft-versus-host disease,pneumonia,and *** This study underscores the potential of ML models in guiding decisions related to allograft allocation and LT,mark

关键词： Liver transplantation Machine learning models Prognostication Allograft allocation Artificial intelligence

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Virtual reality tools for training in gastrointestinal endoscopy:A systematic review

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Artificial Intelligence in Gastrointestinal Endoscopy 2024年第2期5卷 41-54页

作者： Tuấn Quang dương jonathan Soldera department of Acute Medicine University of South WalesCardiff CF371DLUnited Kingdom department of Acute Medicine and Gastroenterology University of South WalesCardiff CF371DLUnited Kingdom

BACKGROUNd Virtual reality(VR)has emerged as an innovative technology in endoscopy training,providing a simulated environment that closely resembles real-life scenarios and offering trainees a valuable platform to acquire and enhance their endoscopic *** systematic review will critically evaluate the effectiveness and feasibility of VR-based training compared to traditional *** To evaluate the effectiveness and feasibility of VR-based training compared to traditional *** examining the current state of the field,this review seeks to identify gaps,challenges,and opportunities for further research and implementation of VR in endoscopic *** The study is a systematic review,following the guidelines for reporting systematic reviews set out by the PRISMA statement.A comprehensive search command was designed and implemented and run in September 2023 to identify relevant studies available,from electronic databases such as PubMed,Scopus,Cochrane,and Google *** results were systematically *** Sixteen articles were included in the final *** total number of participants was *** studies focused on both upper endoscopy and colonoscopy training,two on upper endoscopy training only,eight on colonoscopy training only,and one on sigmoidoscopy training *** Mentor virtual endoscopy simulator was commonly *** reported positive results,indicating that VR-based training was feasible and acceptable for endoscopy *** technology helped the trainees enhance their skills in manipulating the endoscope,reducing the procedure time or increasing the technical accuracy,in VR scenarios and real *** studies show that the patient discomfort level decreased ***,some studies show there were no significant differences in patient discomfort and pain scores between VR group and other *** VR training is effective for endoscopy *** are several well-desi

关键词： Virtual reality Gastrointestinal endoscopy Systematic review Virtual reality training Simulation

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Vaginal Birth after Cesarean after Zavanelli Maneuver: A Woman’s Right to Choose

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Open Journal of Obstetrics and Gynecology 2024年第7期14卷 1091-1095页

作者： Nicole Jenkins Gregory Vurture jonathan d. Baum department of Obstetrics and Gynecology Jersey Shore University Medical Center Neptune NJ USA

Introduction: Vaginal birth after cesarean (VBAC) plays an essential role in lowering cesarean rates. despite endorsement, trial of labor after cesarean (TOLAC) attempt rates remain low, in part due to fear of lawsuits. Zavanelli maneuver is a last resort procedure in the management of shoulder dystocia. We discuss a case of a woman determined to have a vaginal birth after her prior birth was complicated by shoulder dystocia requiring a Zavanelli maneuver. Her physicians were reluctant to allow her a TOLAC given her prior obstetric history. Case: A 34-year-old para 1 with prior cesarean delivery due to shoulder dystocia that required Zavanelli maneuver presents determined to pursue VBAC in her current pregnancy. She considered her delivery route options and addressed her modifiable risk factors. She consulted with multiple perinatologists who agreed that a TOLAC was reasonable, however she had to travel more than 70 miles (from Pennsylvania to New Jersey) to find an obstetrical practice and hospital willing to consider VBAC. She transferred care and the remainder of her prenatal course was uncomplicated. She went into labor at 41 weeks and had a successful VBAC without complication. In a thank you letter to her obstetrician, she described her birth experience as euphoric. Conclusion: This case illustrates how a woman’s choice of delivery route may be impacted by fear of litigation. Local providers focused on her prior delivery instead of her overall improved risk profile. delivery route decisions should be based on a thorough evaluation of all risk factors and individualized to meet the reproductive goals of each woman. .

关键词： Vaginal Birth after Cesarean Zavanelli Autonomy Case Report

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CAOSA-extracted lignin improves enzymatic hydrolysis of cellulose

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Green Energy & Environment 2024年第7期9卷 1101-1111页

作者： Sen Ma Zheng Li jonathan Sperry Xing Tang Yong Sun Lu Lin Jian Liu Xianhai Zeng College of Energy State Key Laboratory of Physical Chemistry of Solid Surfaces Xiamen University Fujian Engineering and Research Centre of Clean and High-valued Technologies for Biomass Xiamen Key Laboratory of Clean and High-valued Utilization of Biomass Centre for Green Chemical Science University of Auckland

The conversion of biomass into sugar platform compounds is very important for the biorefinery industry. Pretreatment is essential to the biomass of the sugar platform, however, the lignin obtained by pretreatment, as a key part of lignocellulose, generally has a passive effect on the enzymatic hydrolysis of cellulose into sugars. In this study, p-TsOH(p-toluenesulfonic acid), dES(deep eutectic solvent) and CAOSA(cooking with active oxygen and solid alkali) pretreatment ways were used to fraction lignin from bamboo biomass. After CAOSA treatment, the hydrolysis efficiency of the pulp was 95.57%. Moreover, the effect of different treatment methods on lignin properties was studied and the promotion effect of lignin was investigated by adding it to the cellulose enzymatic hydrolysis system. In this work, the results showed that CAOSA-extracted lignin with lower ?(1.31–1.25) had a better adsorption effect on the enzyme protein. p-TsOH-extracted lignin with a larger S/G ratio enhanced the inhibition of enzymatic hydrolysis. In addition, the presence of-COOHs in lignin could reduce its inhibitory effect on cellulose saccharification.

关键词： Biomass pretreatment CAOSA Cellulose hydrolysis Lignin Enzyme

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Hepatic angiotensin-converting enzyme 2 expression in metabolic dysfunction-associated steatotic liver disease and in patients with fatal COVId-19

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World Journal of Gastroenterology 2024年第31期30卷 3705-3716页

作者： Angus K Jacobs Steven d Morley Kay Samuel Katie Morgan Lyndsey Boswell Timothy J Kendall david A dorward jonathan A Fallowfield Peter C Hayes John N Plevris Hepatology Laboratory University of EdinburghEdinburgh EH164SBUnited Kingdom Scottish National Blood Transfusion Service Jack Copland CentreEdinburgh EH144BEUnited Kingdom Institute for Regeneration and Repair University of EdinburghEdinburgh EH164UUUnited Kingdom Edinburgh Pathology University of EdinburghEdinburgh EH164SBUnited Kingdom

BACKGROUNd Metabolic dysfunction-associated steatotic liver disease(MASLd),characterised by hepatic lipid accumulation,causes inflammation and oxidative stress accompanied by cell damage and *** injury(LI)is also frequently reported in patients hospitalised with coronavirus disease 2019(COVId-19),while preexisting MASLd increases the risk of LI and the development of COVId-19-associated *** of injury at the cellular level remain unclear,but it may be significant that severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)which causes COVId-19,uses angiotensin-converting expression enzyme 2(ACE2),a key regulator of the‘anti-inflammatory’arm of the renin-angiotensin system,for viral attachment and host cell *** To determine if hepatic ACE2 levels are altered during progression of MASLd and in patients who died with severe *** ACE2 protein levels and localisation,and histological fibrosis and lipid droplet accumulation as markers of MASLd were determined in formalin-fixed liver tissue sections across the MASLd pathological spectrum(isolated hepatocellular steatosis,metabolic dysfunction-associated steatohepatitis(MASH)+/-fibrosis,end-stage cirrhosis)and in post-mortem tissues from patients who had died with severe COVId-19,using ACE2 immunohistochemistry and haematoxylin and eosin and picrosirius red staining of total collagen and lipid droplet areas,followed by quantification using machine learning-based image pixel *** ACE2 staining is primarily intracellular and concentrated in the cytoplasm of centrilobular hepatocytes and apical membranes of bile duct ***,ACE2 protein levels are elevated in non-fibrotic MASH compared to healthy controls but not in the progression to MASH with fibrosis and in ***2 protein levels and histological fibrosis are not associated,but ACE2 and liver lipid droplet content are significantly correlated across the MASLd *** A

关键词： Metabolic dysfunction-associated steatotic liver disease Angiotensin-converting enzyme 2 Immunohistochemistry COVId-19 COVId-19-associated cholangiopathy

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deformable microlaser force sensing

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Light(Science & Applications) 2024年第6期13卷 1196-1209页

作者： Eleni dalaka Joseph SHill jonathan H.H.Booth Anna Popczyk Stefan R.Pulver Malte C.Gather Marcel Schubert Centre of Biophotonics SUPASchool of Physics and AstronomyUniversity of St AndrewsNorth HaughSt AndrewsUK Humboldt Centre for Nano-and Biophotonics Department of ChemistryUniversity of CologneKölnGermany School of Psychology and Neuroscience University of St AndrewsSt Mary’s QuadSouth StreetSt AndrewsUK Institute for Bioengineering of Catalonia BarcelonaSpain

Mechanical forces are key regulators of cellular behavior and function,affecting many fundamental biological processes such as cell migration,embryogenesis,immunological responses,and pathological *** force sensors and imaging techniques have been developed to quantify these otherwise invisible forces in single cells and in ***,current techniques rely heavily on high-resolution microscopy and do not allow interrogation of optically dense tissue,reducing their application to 2d cell cultures and highly transparent biological ***,we introduce dEFORM,deformable microlaser force sensing,a spectroscopic technique that detects sub-nanonewton forces with unprecedented spatio-temporal *** is based on the spectral analysis of laser emission from dye-doped oil microdroplets and uses the force-induced lifting of laser mode degeneracy in these droplets to detect nanometer *** validation by atomic force microscopy and development of a model that links changes in laser spectrum to applied force,dEFORM is used to measure forces in 3d and at depths of hundreds of microns within tumor spheroids and late-stage drosophila *** furthermore show continuous force sensing with single-cell spatial and millisecond temporal resolution,thus paving the way for non-invasive studies of biomechanical forces in advanced stages of embryogenesis,tissue remodeling,and tumor invasion.

关键词： invasion otherwise hundreds

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Long non-coding RNA BANCR promotes pancreatic cancer lymphangiogenesis and lymphatic metastasis by regulating the HIF-1α/VEGF-C/VEGFR-3 pathway via miR-143-5p

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Genes & diseases 2024年第4期11卷 57-60页

作者： Shaolong Hao Yu Ji Weixuan Pan Hao Sun Fang Nie jonathan Ray Warren Yuchuan ding Wei Han department of General Surgery Beijing Luhe HospitalCapital Medical UniversityTongzhouBeijing 101149China department of Central Laboratory Beijing Luhe HospitalCapital Medical UniversityTongzhouBeijing 101149China department of Neurosurgery Wayne State University School of MedicineJohn D.Dingell VA Medical CenterDetroitMI 48201USA

Pancreatic cancer is one of the most aggressive malignant tumors of the digestive *** node metastasis(LNM),as the main way of invasion and metastasis,can occur in the early stage of pancreatic cancer and be considered... 详细信息

关键词： metastasis cancer invasion

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