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Efficient Transfer of Patients with Critical Illnesses from General Wards to Intensive Care Units
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作者 Chien-Ming Tsao Tzu-Tsui Tsao 《Open Journal of Nursing》 2025年第1期67-77,共11页
Transferring patients with critical illnesses from general wards to intensive care units (ICUs) is a crucial and time-sensitive process. This article presents strategies for improving the efficiency of patient transfe... Transferring patients with critical illnesses from general wards to intensive care units (ICUs) is a crucial and time-sensitive process. This article presents strategies for improving the efficiency of patient transfers, particularly in hospitals where intensive care units are located in buildings separate from general wards. Patient transfers comprise several steps: physicians issue orders, relatives are notified, equipment is prepared, and medical staff coordinate. We identified three factors that influence transfer time: preparation time for bed transfer, time required for shift handovers, and time required for between-ward patient movement. Unfamiliarity with transfer routes and long elevator wait times were factors that also influenced transfer time. The following strategies were proposed: develop a standardized material checklist, design key notes for patient transfers, and optimize transfer routes. These strategies reduced transfer times by 40% to 43%. This study demonstrates that by addressing logistical challenges and streamlining relevant procedures, hospitals can enhance safety and quality of care during patient transfers. 展开更多
关键词 Critical Illnesses Intensive Care unit (ICU) Patient Safety Time Management transfer Process Optimization Patient transfer
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DIFFUSION ASYMPTOTICS OF A STEADY COUPLED MODEL FOR RADIATIVE TRANSFER IN A UNIT BALL
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作者 Lei LI Zhengce ZHANG 《Acta Mathematica Scientia》 2025年第4期1284-1306,共23页
We consider the diffusion asymptotics of a coupled model arising in radiative transfer in a unit ball inℝ3 with one-speed velocity.The model consists of a steady kinetic equation satisfied by the specific intensity of... We consider the diffusion asymptotics of a coupled model arising in radiative transfer in a unit ball inℝ3 with one-speed velocity.The model consists of a steady kinetic equation satisfied by the specific intensity of radiation coupled with a nonhomogeneous elliptic equation satisfied by the material temperature.For the O(ϵ)boundary data of the intensity of the radiation and the suitable small boundary data of the temperature,we prove the existence,uniqueness and the nonequilibrium diffusion limit of solutions to the boundary value problem for the coupled model. 展开更多
关键词 radiative transfer diffusion approximation asymptotic analysis unit ball
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Microelectrolysis facilitated the plasmid-mediated horizontal transfer of antibiotic resistance genes at the microbial community level
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作者 Sizhou Liang Weiguo Zhang +3 位作者 Philip Semaha Dominique Rocher Lizhu Liu Yan Gao 《Journal of Environmental Sciences》 2025年第11期470-477,共8页
The escalating global dissemination of plasmid-mediated antibiotic resistance poses a formidable threat to global health.Conjugation stands as a pivotal mechanism for horizontal gene transfer among bacterial populatio... The escalating global dissemination of plasmid-mediated antibiotic resistance poses a formidable threat to global health.Conjugation stands as a pivotal mechanism for horizontal gene transfer among bacterial populations,facilitating the spread of antibiotic resistance genes(ARGs).Microelectrolysis has garnered attention as an efficacious strategy for mitigating antibiotic concentrations in wastewater,yet its potential impact on ARG horizontal transfer remain largely unexplored.This comprehensive investigation unveils that microelectrolysis not only influences but significantly accelerates the conjugative transfer of ARG-harboring plasmids.Remarkably,this phenomenon is corroborated at the microbial community scale,underscoring its ecological relevance.Alarmingly,the study highlights the vulnerability of intestinalmicroorganisms to acquire antibiotic resistance under electrolytic stimulation,posing heightened risks to both animal and human health.Delving deeper,the study elucidates the underlyingmechanisms responsible for this enhanced conjugative transfer.It reveals that microelectrolysis augments the abundance of mating-competent cells,triggers the generation of reactive oxygen species,inflicts modest membrane damage,and upregulates the expression of genes critical for conjugation.These findings collectively contribute to a more profound comprehension of the environmental dissemination dynamics and associated public health implications of ARGs in the context of wastewater treatment employing microelectrolytic technologies. 展开更多
关键词 Antibiotic resistance Microelectrolysis WASTEWATER PLASMID Horizontal gene transfer
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UniTrans:Unified Parameter-Efficient Transfer Learning and Multimodal Alignment for Large Multimodal Foundation Model
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作者 Jiakang Sun Ke Chen +3 位作者 Xinyang He Xu Liu Ke Li Cheng Peng 《Computers, Materials & Continua》 2025年第4期219-238,共20页
With the advancements in parameter-efficient transfer learning techniques,it has become feasible to leverage large pre-trained language models for downstream tasks under low-cost and low-resource conditions.However,ap... With the advancements in parameter-efficient transfer learning techniques,it has become feasible to leverage large pre-trained language models for downstream tasks under low-cost and low-resource conditions.However,applying this technique to multimodal knowledge transfer introduces a significant challenge:ensuring alignment across modalities while minimizing the number of additional parameters required for downstream task adaptation.This paper introduces UniTrans,a framework aimed at facilitating efficient knowledge transfer across multiple modalities.UniTrans leverages Vector-based Cross-modal Random Matrix Adaptation to enable fine-tuning with minimal parameter overhead.To further enhance modality alignment,we introduce two key components:the Multimodal Consistency Alignment Module and the Query-Augmentation Side Network,specifically optimized for scenarios with extremely limited trainable parameters.Extensive evaluations on various cross-modal downstream tasks demonstrate that our approach surpasses state-of-the-art methods while using just 5%of their trainable parameters.Additionally,it achieves superior performance compared to fully fine-tuned models on certain benchmarks. 展开更多
关键词 Parameter-efficient transfer learning multimodal alignment image captioning image-text retrieval visual question answering
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TDNN:A novel transfer discriminant neural network for gear fault diagnosis of ammunition loading system manipulator
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作者 Ming Li Longmiao Chen +3 位作者 Manyi Wang Liuxuan Wei Yilin Jiang Tianming Chen 《Defence Technology(防务技术)》 2025年第3期84-98,共15页
The ammunition loading system manipulator is susceptible to gear failure due to high-frequency,heavyload reciprocating motions and the absence of protective gear components.After a fault occurs,the distribution of fau... The ammunition loading system manipulator is susceptible to gear failure due to high-frequency,heavyload reciprocating motions and the absence of protective gear components.After a fault occurs,the distribution of fault characteristics under different loads is markedly inconsistent,and data is hard to label,which makes it difficult for the traditional diagnosis method based on single-condition training to generalize to different conditions.To address these issues,the paper proposes a novel transfer discriminant neural network(TDNN)for gear fault diagnosis.Specifically,an optimized joint distribution adaptive mechanism(OJDA)is designed to solve the distribution alignment problem between two domains.To improve the classification effect within the domain and the feature recognition capability for a few labeled data,metric learning is introduced to distinguish features from different fault categories.In addition,TDNN adopts a new pseudo-label training strategy to achieve label replacement by comparing the maximum probability of the pseudo-label with the test result.The proposed TDNN is verified in the experimental data set of the artillery manipulator device,and the diagnosis can achieve 99.5%,significantly outperforming other traditional adaptation methods. 展开更多
关键词 Manipulator gear fault diagnosis Reciprocating machine Domain adaptation Pseudo-label training strategy transfer discriminant neural network
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Momentum transfer collision frequencies between electrons and neutrals of astrophysical interest
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作者 YuTian Cao Jun Cui +4 位作者 RuiQi Fu WenJun Liang XiaoShu Wu TieLong Zhang HaoYu Lu 《Earth and Planetary Physics》 2026年第1期82-91,共10页
Theoretical calculations serve as an effective method for determining plasma temperatures within planetary atmospheres.To simulate plasma temperature,a comprehensive implementation of the energy equation is used,which... Theoretical calculations serve as an effective method for determining plasma temperatures within planetary atmospheres.To simulate plasma temperature,a comprehensive implementation of the energy equation is used,which is governed by five terms:conductivity,heating,cooling,adiabatic expansion,and advection.The derivations mentioned are strongly dependent on the collision cross section between electrons and other particles(e.g.,neutrals,ions).It is notable that the momentum transfer cross sections between electrons and neutrals have been updated in recent decades.However,the widely used momentum average collision cross sections between electrons and neutrals,derived from the momentum transfer cross sections,are collected in studies dating back nearly half a century.Therefore,it becomes imperative to revise the momentum average collision cross sections relevant to astrophysical contexts,based on the latest studies.In this study,we summarize the momentum average collision cross sections of 13 species common in planetary atmospheres:H,H_(2),He,O,CH_(4),H_(2)O,CO,N_(2),O_(2),Ar,CO_(2),N_(2)O,and NO_(2).All results are derived from the latest studies concerning the electron-neutral collision cross section and are compared with previous studies.Furthermore,we present a comparison of the derived total electron-neutral collision frequency at Mars between this study and previous studies.Prominent differences in the total electron-neutral collision frequency between this and prior studies support the significance of updating the momentum average collision cross section between electrons and neutrals in studying the planetary atmospheres. 展开更多
关键词 momentum transfer collision planetary atmosphere electron-neutral collision frequency
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Pulsed Dynamic Water Electrolysis:Mass Transfer Enhancement,Microenvironment Regulation,and Hydrogen Production Optimization
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作者 Xuewei Zhang Wei Zhou +7 位作者 Xiaoxiao Meng Yuming Huang Yang Yu Haiqian Zhao Lijie Wang Fei Sun Jihui Gao Guangbo Zhao 《Nano-Micro Letters》 2026年第3期807-859,共53页
Pulsed dynamic electrolysis(PDE),driven by renewable energy,has emerged as an innovative electrocatalytic conversion method,demonstrating significant potential in addressing global energy challenges and promoting sust... Pulsed dynamic electrolysis(PDE),driven by renewable energy,has emerged as an innovative electrocatalytic conversion method,demonstrating significant potential in addressing global energy challenges and promoting sustainable development.Despite significant progress in various electrochemical systems,the regulatory mechanisms of PDE in energy and mass transfer and the lifespan extension of electrolysis systems,particularly in water electrolysis(WE)for hydrogen production,remain insufficiently explored.Therefore,there is an urgent need for a deeper understanding of the unique contributions of PDE in mass transfer enhancement,microenvironment regulation,and hydrogen production optimization,aiming to achieve low-energy consumption,high catalytic activity,and long-term stability in the generation of target products.Here,this review critically examines the microenvironmental effects of PDE on energy and mass transfer,the electrode degradation mechanisms in the lifespan extension of electrolysis systems,and the key factors in enhancing WE for hydrogen production,providing a comprehensive summary of current research progress.The review focuses on the complex regulatory mechanisms of frequency,duty cycle,amplitude,and other factors in hydrogen evolution reaction(HER)performance within PDE strategies,revealing the interrelationships among them.Finally,the potential future directions and challenges for transitioning from laboratory studies to industrial applications are proposed. 展开更多
关键词 Pulsed dynamic electrolysis Water electrolysis Energy and mass transfer MICROENVIRONMENT System stability
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Ultra-fast and high-responsivity self-powered vis-NIR photodetector via surface charge transfer doping in MoTe_(2)/ReS_(2)heterostructures
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作者 Haozhe Ruan Yongkang Liu +5 位作者 Jianyu Wang Linjiang Xie Yixuan Wang Mengting Dong Zhangting Wu Liang Zheng 《Journal of Semiconductors》 2026年第1期99-106,共8页
The development of optoelectronic technologies demands photodetectors with miniaturization,broadband operation,high sensitivity,and low power consumption.Although 2D van der Waals(vd W)heterostructures are promising c... The development of optoelectronic technologies demands photodetectors with miniaturization,broadband operation,high sensitivity,and low power consumption.Although 2D van der Waals(vd W)heterostructures are promising candidates due to their built-in electric fields,ultrafast photocarrier separation,and tunable bandgaps,defect states limit their performance.Therefore,the modulation of the optoelectronic properties in such heterostructures is imperative.Surface charge transfer doping(SCTD)has emerged as a promising strategy for non-destructive modulation of electronic and optoelectronic characteristics in two-dimensional materials.In this work,we demonstrate the construction of high-performance p-i-n vertical heterojunction photodetectors through SCTD of MoTe_(2)/ReS_(2)heterostructure using p-type F_(4)-TCNQ.Systematic characterization reveals that the interfacial doping process effectively amplifies the built-in electric field,enhancing photogenerated carrier separation efficiency.Compared to the pristine heterojunction device,the doped photodetector exhibits remarkable visible to nearinfrared(635-1064 nm)performance.Particularly under 1064 nm illumination at zero bias,the device achieves a responsivity of 2.86 A/W and specific detectivity of 1.41×10^(12)Jones.Notably,the external quantum efficiency reaches an exceptional value of 334%compared to the initial 11.5%,while maintaining ultrafast response characteristics with rise/fall times of 11.6/15.6μs.This work provides new insights into interface engineering through molecular doping for developing high-performance vd W optoelectronic devices. 展开更多
关键词 MoTe_(2)/ReS_(2)heterostructure broadband photodetector surface charge transfer doping P-I-N
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Robot-assisted vs hand-assisted laparoscopic donor nephrectomy in the United Kingdom:Equivalent outcomes in the first national series
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作者 Chrysanthos D Christou Savvas Antoniadis +10 位作者 Avishek Majumder Rhana Zakri Jonathon Olsburgh Chris Callaghan Georgios Papadakis Kiran Sran Martin Drage Karel Decaestecker Ben Challacombe Nicos Kessaris Ioannis Loukopoulos 《World Journal of Transplantation》 2026年第1期193-202,共10页
BACKGROUND Living donor kidney transplantation is the optimal method of long-term renal replacement therapy.Minimally invasive donor nephrectomy techniques,such as robot-assisted(RALDN)and hand-assisted(HALDN)laparosc... BACKGROUND Living donor kidney transplantation is the optimal method of long-term renal replacement therapy.Minimally invasive donor nephrectomy techniques,such as robot-assisted(RALDN)and hand-assisted(HALDN)laparoscopic procedures,are well-established in high-income countries and are being increasingly adopted worldwide.Nevertheless,no studies have reported surgical outcomes of RALDN donor nephrectomy from a United Kingdom center to date.AIM To compare surgical outcomes between RALDN and HALDN laparoscopic donor nephrectomy in a United Kingdom high-volume living kidney donor transplant program.METHODS A case-control matching analysis was performed based on the following parameters:Sex,age,body mass index,procedure laterality,number of renal arteries,and previous abdominal surgeries.Key surgical outcomes,including primary warm ischemia time,operative duration,and post-operative recovery,were evaluated.RESULTS In this cohort of 140 living donors(70 RALDN vs 70 HALDN),donor and recipient outcomes were equivalent across key metrics:Pain scores,overall complication rates,readmissions,reoperations,and creatinine levels at 30 days and 1 year.Recipient long-term renal function did not differ between groups.Operative time for RALDN decreased significantly over the study period,indicating progressive improvement along the learning curve.Although RALDN was associated with a modestly longer mean warm ischaemia time(3.53 minutes vs 2.76 minutes,P<0.001)and extended hospital stay(4.21 days vs 3.17 days,P<0.001),these did not translate into any disadvantage in clinical outcomes.CONCLUSION In this first United Kingdom comparative cohort,RALDN demonstrated excellent safety and efficacy,even in the early phase of our programme,matching the outcomes of the well-established,gold-standard HALDN approach.Moreover,the pronounced learning-curve trajectory suggests considerable potential for further improvements in robotic surgical outcomes as the programme matures. 展开更多
关键词 Robot-assisted donor nephrectomy Hand-assisted donor nephrectomy Living kidney donation Surgical outcomes Learning curve Minimally invasive surgery united Kingdom experience
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Cell therapy rejuvenates the neuroglial-vascular unit
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作者 Bandy Chen 《Neural Regeneration Research》 2026年第4期1542-1543,共2页
The rise of the aging population parallels the rapidly increasing cases of neurological disorders. This puts pressure on scientists and physicians to find novel methods that can prevent and treat neurodegeneration. Th... The rise of the aging population parallels the rapidly increasing cases of neurological disorders. This puts pressure on scientists and physicians to find novel methods that can prevent and treat neurodegeneration. The brain is made up of a complex network of different cell types that work in tandem to maintain systemic homeostasis. 展开更多
关键词 maintain systemic homeostasis prevent treat neurodegeneration cell therapy neurological disorders neuroglial vascular unit network different cell types NEURODEGENERATION aging population
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Chemical exchange saturation transfer MRI for neurodegenerative diseases:An update on clinical and preclinical studies
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作者 Ahelijiang Saiyisan Shihao Zeng +4 位作者 Huabin Zhang Ziyan Wang Jiawen Wang Pei Cai Jianpan Huang 《Neural Regeneration Research》 2026年第2期553-568,共16页
Chemical exchange saturation transfer magnetic resonance imaging is an advanced imaging technique that enables the detection of compounds at low concentrations with high sensitivity and spatial resolution and has been... Chemical exchange saturation transfer magnetic resonance imaging is an advanced imaging technique that enables the detection of compounds at low concentrations with high sensitivity and spatial resolution and has been extensively studied for diagnosing malignancy and stroke.In recent years,the emerging exploration of chemical exchange saturation transfer magnetic resonance imaging for detecting pathological changes in neurodegenerative diseases has opened up new possibilities for early detection and repetitive scans without ionizing radiation.This review serves as an overview of chemical exchange saturation transfer magnetic resonance imaging with detailed information on contrast mechanisms and processing methods and summarizes recent developments in both clinical and preclinical studies of chemical exchange saturation transfer magnetic resonance imaging for Alzheimer’s disease,Parkinson’s disease,multiple sclerosis,and Huntington’s disease.A comprehensive literature search was conducted using databases such as PubMed and Google Scholar,focusing on peer-reviewed articles from the past 15 years relevant to clinical and preclinical applications.The findings suggest that chemical exchange saturation transfer magnetic resonance imaging has the potential to detect molecular changes and altered metabolism,which may aid in early diagnosis and assessment of the severity of neurodegenerative diseases.Although promising results have been observed in selected clinical and preclinical trials,further validations are needed to evaluate their clinical value.When combined with other imaging modalities and advanced analytical methods,chemical exchange saturation transfer magnetic resonance imaging shows potential as an in vivo biomarker,enhancing the understanding of neuropathological mechanisms in neurodegenerative diseases. 展开更多
关键词 Alzheimer’s disease chemical exchange saturation transfer Huntington’s disease magnetic resonance imaging molecular imaging multiple sclerosis neurodegenerative disease Parkinson’s disease
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A General Equation for Calculating the‘True’Height of Transfer Unit in Extraction Columns 被引量:1
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作者 骆广生 李洪波 +1 位作者 费维扬 汪家鼎 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 1998年第3期49-54,共6页
Based on single drop mass transfer models and two phase flow equation,a general equationfor calculating the‘true’height of transfer unit of extraction columns was derived and tested withfour types of extraction colu... Based on single drop mass transfer models and two phase flow equation,a general equationfor calculating the‘true’height of transfer unit of extraction columns was derived and tested withfour types of extraction columns with some different working systems.The calculated results fittedwell with those obtained by experiments. 展开更多
关键词 mass transfer extraction COLUMNS ’true’ HEIGHT of transfer unit
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Study on Commercial Application of FP-DSN Sulfur Transfer Additive in FCC Unit 被引量:2
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作者 Gao Siming Han Rongxian Chen Desheng(SINOPEC Qingdao Petrochemical Company,Qingdao 266043) 《China Petroleum Processing & Petrochemical Technology》 SCIE CAS 2009年第2期15-19,共5页
The FCC unit with addition of various inventories of the FP-DSN type sulfur transfer additive was tested in a commercial scale. The effect of the sulfur transfer additive was analyzed by investigating the indicators r... The FCC unit with addition of various inventories of the FP-DSN type sulfur transfer additive was tested in a commercial scale. The effect of the sulfur transfer additive was analyzed by investigating the indicators related with the regenerator flue gas composition,the dry gas composition before desulfurization,the LPG composition before desulfurization,the acid gas,and the yield of gasoline and diesel. The test results indicated that the sulfur was trans ferred from the feed stream into the dry gas,LPG and acid gas,and the sulfur transfer effect was obvious only when the inventory of sulfur transfer additive exceeded over 2.0% of total FCC catalyst inventory. 展开更多
关键词 catalytic cracking unit sulfur transfer additive commercial application
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Pressure control strategy for pump motor energy transfer unit 被引量:2
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作者 Yao Jing Zhang Wei +2 位作者 Cao Xiaoming Zhao Guichun Sun Menghui 《High Technology Letters》 EI CAS 2019年第3期286-293,共8页
Multi-level pressure source system is a novel hydraulic system with distinct advantage of energy saving. In order to balance each pressure level of the multi-level pressure source system, a pump motor energy transfer ... Multi-level pressure source system is a novel hydraulic system with distinct advantage of energy saving. In order to balance each pressure level of the multi-level pressure source system, a pump motor energy transfer unit is usually equipped. However, the pump motor energy transfer has the characteristics of poor starting and low response, which cause long time of pressure adjustment and large pressure jitter when the transformer is switched to system suddenly and the motor-side pressure has pressure impact when rail of the pump-side is switched. To address these problems, this paper proposes a compound control strategy of feedforward compensation control with Fuzzy-PID to improve the controllability of the multi-level pressure source system. A test rig of the pump motor energy transfer unit is built and the controllability of compound controller and PID controller are compared. The experiment results show that, compared with the traditional PID, the adjustment time and the pressure impact are reduced by 20% and 25% with the proposed compound control strategy. Therefore, the presented compound control strategy can be used to improve starting performance and robustness of the pump motor energy transfer unit control system. 展开更多
关键词 hydraulic system pump-motor energy transfer unit pressure control energy saving
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Does Checklist Implementation Improve Quantity of Data Transfer: An Observation in Postanesthesia Care Unit (PACU) 被引量:4
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作者 Lauren S. Park Gloria Yang +4 位作者 Kay See Tan Charlotte H. Wong Sabine Oskar Ruth A. Borchardt Luis E. Tollinche 《Open Journal of Anesthesiology》 2017年第4期69-82,共14页
Background: Omission of patient information in perioperative communication is closely linked to adverse events. Use of checklists to standardize the handoff in the post anesthesia care unit (PACU) has been shown to ef... Background: Omission of patient information in perioperative communication is closely linked to adverse events. Use of checklists to standardize the handoff in the post anesthesia care unit (PACU) has been shown to effectively reduce medical errors. Objective: Our study investigates the use of a checklist to improve quantity of data transfer during handoffs in the PACU. Design: A cross-sectional observational study. Setting: PACU at Memorial Sloan Kettering Cancer Center (MSKCC);June 13, 2016 through July 15, 2016. Patients, other participants: We observed the handoff reports between the nurses, PACU midlevel providers, anesthesia staff, and surgical staff. Intervention: A physical checklist was provided to all anesthesia staff and recommended to adhere to the list at all observed PACU handoffs. Main outcome measure: Quantity of reported handoff items during 60 pre- and 60 post-implementation of a checklist. Results: Composite value from both surgical and anesthesia reports showed an increase in the mean report of 8.7 items from pre-implementation period to 10.9 post-implementation. Given that surgical staff reported the mean of 5.9 items pre-implementation and 5.5 items post-implementation without intervention, improvements in anesthesia staff report with intervention improved the overall handoff data transfer. Conclusions: Using a physical 12-item checklist for PACU handoff increased overall data transfer. 展开更多
关键词 CHECKLIST PACU Recovery ROOM Data transfer HANDOFF
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Unveiling the highly disordered NbO_(6) units as electron‐transfer sites in Nb_(2)O_(5) photocatalysis with N‐hydroxyphthalimide under visible light irradiation 被引量:2
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作者 Kaiyi Su Chaofeng Zhang +4 位作者 Yehong Wang Jian Zhang Qiang Guo Zhuyan Gao Feng Wang 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2022年第7期1894-1905,共12页
Although different NbO_(x) units are present in Nb_(2)O_(5)‐based catalysts,the correlations between these structures and activity remain unclear,which considerably hinders the further development of Nb_(2)O_(5) phot... Although different NbO_(x) units are present in Nb_(2)O_(5)‐based catalysts,the correlations between these structures and activity remain unclear,which considerably hinders the further development of Nb_(2)O_(5) photocatalysis.Herein,we utilized N‐hydroxyphthalimide(NHPI)as the probe molecule to distinguish the role of different NbO_(x) units in the activation of C–H bond under visible light irradia‐tion.With the addition of NHPI,Nb_(2)O_(5) catalysts with highly disordered NbO_(6) units exhibited higher activities than that with slightly disordered NbO_(6) units(419‒495 vs.82μmol·g^(-1)·h^(-1))in photocata‐lytic selective oxidation of ethylbenzene.Revealed by Raman spectra,electron paramagnetic reso‐nance spectra,and transmission‐electron‐microscopy images,highly disordered NbO_(6) units were confirmed to act as the active sites for the transfer of photogenerated electrons from NHPI,pro‐moting the generation of phthalimide‐N‐oxyl(PINO)radicals for the enhanced conversion of ethylbenzene under visible light irradiation.This study provides guidance on the role of local NbO_(x) units in Nb_(2)O_(5) photocatalysis. 展开更多
关键词 PHOTOCATALYSIS Nb_(2)O_(5) Highly disordered NbO_(6)units Charge‐transfer process N‐hydroxyphthalimide
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The theoretical study of one-carbon unit transfer with H_2O participation from imidazolidine to dUMP analogue
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作者 Chuan Song Qi Wei Li +1 位作者 Xin Min Wu Lei Xu 《Chinese Chemical Letters》 SCIE CAS CSCD 2007年第9期1159-1162,共4页
The ONIOM quantum mechanics method is used to study the reaction of one-carbon unit transfer from an imidazolidine to 6- aminouracil model with the participation of water molecules.The computation results show that in... The ONIOM quantum mechanics method is used to study the reaction of one-carbon unit transfer from an imidazolidine to 6- aminouracil model with the participation of water molecules.The computation results show that in this reaction the participation of H_2O molecule makes the energy barrier lower because of the H-bond interaction. 展开更多
关键词 Folate cofactor One-carbon unit transfer ONIOM DUMP dTMP
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DFT Study on One-carbon Unit Transfer from 1,10-CH^+- tetrahydroquinoxaline to Methylamine
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作者 Chuan Song QI Da Cheng FENG +1 位作者 Hua Yang WANG Zheng Ting CAI 《Chinese Chemical Letters》 SCIE CAS CSCD 2003年第1期72-75,共4页
Density Functional Theory (DFT) method was used in this paper to study one-carbon transfer from 1,10-tetrahydroquinoxaline, an analogue of tetrahydrofolic acid, to methylamine. This reaction can be completed via two ... Density Functional Theory (DFT) method was used in this paper to study one-carbon transfer from 1,10-tetrahydroquinoxaline, an analogue of tetrahydrofolic acid, to methylamine. This reaction can be completed via two paths. From the computation result we can conclude that a general-acid catalysis exists in this reaction. By computation we find DFT has its limitation in describing a newly incorporated structure with a unit charge. 展开更多
关键词 Density Functional Theory (DFT) folate cofactor tetrahydroquinoxaline one-carbon unit transfer.
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The Study of One Carbon Unit Transfer from Imidazolidine to dUMP Analogue with ONIOM Theory
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作者 ChuanSongQI DaChengFENG ZhengTingCAI 《Chinese Chemical Letters》 SCIE CAS CSCD 2004年第1期123-126,共4页
ONIOM quantum mechanics method is used in this paper to study one-carbon unit transfer from imidazolidine to 6-aminouracil derivates. The computation results show that this reaction can be completed via three paths ow... ONIOM quantum mechanics method is used in this paper to study one-carbon unit transfer from imidazolidine to 6-aminouracil derivates. The computation results show that this reaction can be completed via three paths owing to the three different proton transfer modes. By calculation and analysis, we can find the direct proton transfer is the preferable pathway. 展开更多
关键词 H4folate one-carbon unit transfer dUMP.
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Boosted sodium ion storage performance in MnO_(2):Understanding the bond angle-mediated orbital overlap in MnO_(6)units for fast charge transfer 被引量:1
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作者 Jinrui Wang Zishan Hou +12 位作者 Xia Liu Shiyu Wang Shuyun Yao Yebo Yao Dewei Wang Xueying Gao Huiying Zhang Zheng Tang Yuanming Liu Kaiqi Nie Jiangzhou Xie Zhiyu Yang Yi-Ming Yan 《Journal of Energy Chemistry》 SCIE EI CSCD 2023年第12期295-303,I0008,共10页
Symmetric six oxygen-coordinated Mn structural units(MnO6)in MnO2 with small Mn–O orbital overlap hamper electron transfer rates during energy storage.Herein,we report a novel bond angle modulation strategy to manipu... Symmetric six oxygen-coordinated Mn structural units(MnO6)in MnO2 with small Mn–O orbital overlap hamper electron transfer rates during energy storage.Herein,we report a novel bond angle modulation strategy to manipulate Mn–O orbital overlap in MnO2 through the construction of Mn vacancies(MnO2-VMn),aiming at expediting electron transfer,and thus enhancing energy storage performance.Both experimental and theoretical results disclose that the amplification of Mn–O–Mn bond angles exclusively augments the Mn(dx2-y2)-O(py)orbital overlap and triggers the electron redistribution in MnO2-VMn,inducing an augmented Mn dx2-y2 electron occupation.This heightened presence of active electrons in the Mn dx2-y2 orbital paves the way for accelerating electron transfer and ion transfer in MnO2-VMn.Notably,MnO2-VMn delivers an improved specific capacitance of 425 F g−1 at 1 A g−1 and a superior rate capacity of 265 F g−1 at 20 A g−1.Furthermore,an asymmetric supercapacitor(MnO2-VMn//AC ASC)was fabricated,exhibiting a high energy density of 64.3 Wh kg−1 at a power density of 1000 W kg−1.Furthermore,theoretical insights uncover the profound implications of metal–oxygen–metal bond angle regulation on interatomic orbital overlap modulation.These revelations illuminate pathways for the design of advanced energy storage materials. 展开更多
关键词 Bond angle Orbital overlap Cation vacancies Manganese oxides Electron transfer
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