bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cyclometallated Ruthenium Complex with 3,3',5,5'-Tetramethyl-1,1'-biphenyl-4,4'-bipyrazole and 2,2'-Dicarboxybipyridine: Synthesis, Optical Properties, and Quantum Chemical Modeling
Authors: Lavrova M. A. , Lunev A. M. , Goncharenko V. E. , Taidakov I. V. , Dolzhenko V. D. , Belousov Yu. A. 
Published: June 2022

Abstract
New complex [RuL(Dmdcbp)2]PF6 (I) is synthesized by the consecutive reactions of [Ru-p-cymene]2Cl4 with 3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-bipyrazole (L) and 4,4'-dicarboxy-2,2'-bipyridine in a methanol–chloroform medium. The composition of complex I is confirmed by NMR and elemental analysis, and the optical and luminescence properties of the complex are studied. Ligand L is characterized for the first time by X-ray diffraction (CIF file CCDC no. 2118676). Quantum chemical calculations in terms of the density functional theory are performed for the interpretation of the absorption and emission spectra. Complex I is promising for using as a photosensitizer.
Interaction of 5-[4′-(N-Methyl-1,3-benzimidazol-2-yl)phenyl]-10,15,20-tri-(N-methyl-3′-pyridyl)porphyrin Triiodide with SARS-CoV-2 Spike Protein
Authors: Syrbu S. A. , Kiselev A. N. , Lebedev M. A. , Gubarev Yu. A. , Yurina E. S. , Lebedeva N. Sh. 
Published: June 2022

Abstract
The results of experimental studies of the interaction of the S-protein with a monohetaryl-substituted porphyrin containing a benzimidazole residue are presented. It has been revealed that the S-protein forms high-affinity complexes with the specified porphyrin. The porphyrin binding by the SARS-CoV-2 S-protein has proceeded stepwise; at the first stage, the driving force of the complexation is electrostatic interaction between the surface negatively charged regions of the protein and cationic substituents of the porphyrin. At the second stage, the target complex of the S-protein with the porphyrin is formed. It has been established that the introduction of 5-[4′-(N-methyl-1,3-benzimidazol-2-yl)phenyl]-10,15,20-tri-(N-methyl-3′-pyridyl)porphyrin triiodide into a solution of the S-protein complex with the angiotensin-converting enzyme leads to the replacement of the latter with the porphyrin. Displacement of the angiotensin-converting enzyme from the complex with the S-protein under the action of 5-[4′-(N-methyl-1,3-benzimidazol-2-yl)phenyl]-10,15,20-tri-(N-methyl-3′-pyridyl)porphyrin triiodide is the experimental evidence for the porphyrin binding at the receptor-binding domain of the S-protein.
Study design and protocol of a low to high intensity computer-based cognitive training at home in supplement to standard care in patients with AD
Authors: Dimachki Samar , Tarpin-Bernard Franck , Croisile Bernard , Chainay Hanna 
Published: June 2022

IntroductionRecent studies on cognitive training in patients with Alzheimer’s disease (AD) showed positive long-term effects on cognition and daily living, suggesting remote computer-based programmes to increase training sessions while reducing patient’s travelling. The aim of this study is to examine short-term and long-term benefits of computer-based cognitive training at home in patients with mild to moderate AD, as a complement to the training in speech and language therapists’ (SLT) offices. The secondary purpose is to study training frequency required to obtain noticeable effects.Methods and analysesThis is a national multicentre study, conducted in SLT offices. The patients follow training in one of three conditions: once a week in SLT office only (regular condition) and once a week in SLT office plus one or three times per week at home. The trainings’ content in SLT office and at home is identical. For all three groups near and far transfer will be compared with evaluate training frequency’s effect. Our primary outcome is executive and working memory scores in experimental tasks, and the secondary is neuropsychological tests and questionnaires’ scores. Linear models’ analyses are considered for all measures with a random intercept for patients and another for per practice. The fixed effects will be: three modality groups and time, repeated measures, (T0—pretraining, T1—post-training, T2—long-term follow-up) and the interaction pairs.Ethics and disseminationThe study got ethics approval of the national ethical committee CPP Sud Méditerranée III (No 2019-A00458-49) and of the National Commission for Information Technology and Liberties (No 919217). Informed consent is obtained from each participant. Results will be disseminated in oral communications or posters in international conferences and published in scientific journals.Trial registration numberNCT04010175.
Anaesthesia provision, infrastructure and resources in the Heilongjiang Province, China: a cross-sectional observational study
Authors: Zheng Xiaoyu , Zhao Jingshun , Zhang Jian , Yao Dandan , Jiang Ge , Yang Wanchao , Ma Xuesong , Wang Hui , Lu Xiaodi , Zhu Xidong , Chen Meijun , Zhang Mingyue , Zhang Xi , Wang Guonian , Han Fei 
Published: June 2022

ObjectiveThe aim of this study was to explore the current status of the anaesthesia provision, infrastructure and resources in the Heilongjiang Province, China.DesignA cross-sectional observational study of hospitals, anaesthesiologists, assistant anaesthesiologists and anaesthetic nurses in the Heilongjiang Province.SettingAll hospitals in the Heilongjiang Province.ParticipantsThe hospitals, anaesthesiologists (attending physicians, associate chief physicians and chief physicians), assistant anaesthesiologists (licenced assistant physicians, resident physicians and other trainees) and anaesthetic nurses.Main outcome measuresStandard descriptive statistics (percentages and numbers) were used to summarise the data.ResultsThe investigation involved 1123 hospitals, 405 of these hospitals had anaesthesiology departments (36.06%). There were 2406 anaesthesiologists, 175 assistant anaesthesiologists and 409 anaesthetic nurses. The proportion of anaesthesiologists was 56.60% in tertiary hospitals, 40.15% in secondary hospitals and 3.25% in primary hospitals and ungraded hospitals, respectively. Anaesthesiologists were present in 91.20% of public hospitals and 8.80% of private hospitals. Anaesthesiologists were present in 83.55% general hospitals and 16.45% of specialised hospitals. The Heilongjiang Province has a total of 2041 operating rooms and 543 beds in recovery rooms. The number of anaesthesia cases per capita per year was 326.86. The percentages of anaesthesiologists’ age ≥46, 36–45, 25–35 and <25 are 24.03%, 41.80%, 33.91% and 0.27%, respectively. The proportions of resident physicians and attending physicians were 60.87%, and the proportions of associate chief physicians and chief physicians were 39.13%. The proportions of anaesthesiologists working >12 hours, 10 hours≤time≤12 hours, 8 hours≤time<10 hours and <8 hours were 0.55%, 22.04%, 64.30% and 13.11%, respectively.ConclusionsThe present study demonstrated for the first time that the proportion of anaesthesiologists in the Heilongjiang Province, China, is still insufficient. The structure of anaesthesiologists needs to be optimised.
Alpha-2-adrenergic receptor agonists for the prevention of delirium and cognitive decline after open heart surgery (ALPHA2PREVENT): protocol for a multicentre randomised controlled trial
Authors: Neerland Bjørn Erik , Busund Rolf , Haaverstad Rune , Helbostad Jorunn L , Landsverk Svein Aslak , Martinaityte Ieva , Norum Hilde Margrethe , Ræder Johan , Selbaek Geir , Simpson Melanie R , Skaar Elisabeth , Skjærvold Nils Kristian , Skovlund Eva , Slooter Arjen JC , Svendsen Øyvind Sverre , Tønnessen Theis , Wahba Alexander , Zetterberg Henrik , Wyller Torgeir Bruun 
Published: June 2022

IntroductionPostoperative delirium is common in older cardiac surgery patients and associated with negative short-term and long-term outcomes. The alpha-2-adrenergic receptor agonist dexmedetomidine shows promise as prophylaxis and treatment for delirium in intensive care units (ICU) and postoperative settings. Clonidine has similar pharmacological properties and can be administered both parenterally and orally. We aim to study whether repurposing of clonidine can represent a novel treatment option for delirium, and the possible effects of dexmedetomidine and clonidine on long-term cognitive trajectories, motor activity patterns and biomarkers of neuronal injury, and whether these effects are associated with frailty status.Methods and analysisThis five-centre, double-blind randomised controlled trial will include 900 cardiac surgery patients aged 70+ years. Participants will be randomised 1:1:1 to dexmedetomidine or clonidine or placebo. The study drug will be given as a continuous intravenous infusion from the start of cardiopulmonary bypass, at a rate of 0.4 µg/kg/hour. The infusion rate will be decreased to 0.2 µg/kg/hour postoperatively and be continued until discharge from the ICU or 24 hours postoperatively, whichever happens first.Primary end point is the 7-day cumulative incidence of postoperative delirium (Diagnostic and Statistical Manual of Mental Disorders, fifth edition). Secondary end points include the composite end point of coma, delirium or death, in addition to delirium severity and motor activity patterns, levels of circulating biomarkers of neuronal injury, cognitive function and frailty status 1 and 6 months after surgery.Ethics and disseminationThis trial is approved by the Regional Committee for Ethics in Medical Research in Norway (South-East Norway) and by the Norwegian Medicines Agency. Dissemination plans include publication in peer-reviewed medical journals and presentation at scientific meetings.Trial registration numberNCT05029050.
Factors associated with hospital length of stay in patients admitted with suspected malaria in Kenya: secondary analysis of a cross-sectional survey
Authors: Machini Beatrice , Achia Thomas N O , Kipruto Hillary , Amboko Beatrice , Chesang Jacqueline 
Published: June 2022

ObjectivesTo investigate factors associated with hospital length of stay (LOS) in patients admitted with suspected malaria using a competing risk approach.SettingCounty government referrals and major faith-based hospitals in Kenya in 2018.DesignSecondary analysis of a cross-sectional survey data.ParticipantsData were extracted from 2396 medical records of patients admitted with suspected malaria at 90 hospitals.Outcome measuresLOS, defined as time to discharge, was the primary event of interest, and time to death was the competing event against patient factors assessed during admission and hospitalisation.ResultsAmong the patients analysed, 2283 were discharged, 49 died and 64 were censored. The median LOS was 4 days (IQR: 3–6 days). The cumulative incidence of discharge significantly decreased (p<0.05) by 12.7% (subdistribution-HR (SDHR): 0.873; 95% CI 0.789 to 0.967) when the respiratory rate was assessed, by 14.1% (SDHR 0.859; 95% CI 0.754 to 0.978) when oxygen saturation was monitored, by 23.1% (SDHR 0.769; 95% CI 0.709 to 0.833) and 23.4% (SDHR 0.766; 95% CI 0.704 to 0.833) when haemoglobin/haematocrit and glucose/random blood sugar were performed, respectively, and by 30.4% (SDHR 0.696; 95% CI 0.626 to 0.774) when patients had at least one clinical feature of severe malaria. Conversely, patients with confirmed severe malaria and those treated with injectable artesunate had a significantly increased cumulative incidence of discharge by 21.4% (SDHR 1.214; 95% CI 1.082 to 1.362) and 33.9% (SDHR 1.339; 95% CI 1.184 to 1.515), respectively.ConclusionsFactors of inpatient clinical processes that influence hospital LOS were identified. These can be targeted during quality improvement interventions to enhance health service delivery in Kenya. Early recognition and appropriate management of the signs of malaria severity could greatly affect beneficial outcomes. Strengthening clinical practices and nursing care according to national case management guidelines should be a priority for malaria control managers in Kenya.
Clinical application of oral Chinese Patent Medicines in ophthalmology: a scoping review protocol
Authors: Xu Kai , Liao Xing , Liang Lina , Li Yamin , Huang Ziyang , Li Xiaoyu , Zhou Wei , Zuo Qianqian 
Published: June 2022

IntroductionThe prevalence of eye diseases has been increasing worldwide. In China, in addition to conventional medicine, Traditional Chinese Medicine (TCM) plays an important role in maintaining people’s vision health. Although less flexible and targeted than TCM decoction, Chinese Patent Medicines (CPMs) are stable and well used. In recent years, CPMs have been increasingly used in ophthalmology clinics by TCM practitioners and by Western doctors in general hospitals. However, comprehensive evidence for using CPMs in ophthalmology is lacking.AimWe will apply the methodology of scoping review to systematically search and sort out the available evidence on oral CPMs for the treatment of eye diseases, identify the distribution of evidence in this field and provide a basis for clinical practice and medical decisions.MethodsThe scoping review will be implemented in the following seven steps: (1) defining the research question; (2) searching National Essential Medicines List (2018 edition), National Basic Medical Insurance, Work Injury Insurance and Maternity Insurance Drug Catalog (2020 edition) and Chinese Pharmacopoeia (2020 edition) for oral CPMs for the treatment of eye diseases; (3) searching Embase, Web of Science, PubMed, Cochrane Library, Chongqing VIP Chinese Scientific Journals Database, Chinese National Knowledge Infrastructure, Chinese Biomedical Literature Database and Wanfang Database for relevant literature published from inception to December 2021; (4) developing eligibility criteria; (5) screening the studies based on inclusion criteria; (6) extracting relevant data and lastly, (7) collating, summarising and reporting the results.Ethics and disseminationSince the scoping review aims at collecting data from publicly available publications, this study does not require ethical approval. The results will be published in a peer-reviewed journal and presented at scientific conferences.
COVID-19 health information needs of older adults from ethnic minority groups in the UK: a qualitative study
Authors: Paudyal Priyamvada , Skinner Emily , Majeed-Hajaj Saliha , Hughes Laura J , Magar Naresh Khapangi , Keeling Debbie Isobel , Armes Jo , Kulasabanathan Kavian , Ford Elizabeth , Sharp Rebecca , Cassell Jackie A 
Published: June 2022

ObjectiveThis study aimed to identify the COVID-19 health information needs of older adults from ethnic minority groups in the UK.Study designA qualitative study using semistructured interviews.Setting and participantsIndian and Nepalese older adults (≥65 years), their families (≥18 years) and healthcare professionals (HCPs) (≥18 years) engaging with these communities. Participants were recruited between July and December 2020 from Kent, Surrey and Sussex through community organisations.Results24 participants took part in the study; 13 older adults, 7 family members and 4 HCPs. Thirteen participants were female, and the majority (n=17) spoke a language other than English at home. Older participants mostly lived in multigenerational households, and family and community were key for providing support and communicating about healthcare needs. Participants’ knowledge of COVID-19 varied widely; some spoke confidently about the subject, while others had limited information. Language and illiteracy were key barriers to accessing health information. Participants highlighted the need for information in multiple formats and languages, and discussed the importance of culturally appropriate avenues, such as community centres and religious sites, for information dissemination.ConclusionThis study, undertaken during the COVID-19 pandemic, provides insight into how health information can be optimised for ethnic minority older adults in terms of content, format and cultural relevance. The study highlights that health information interventions should recognise the intersection between multigenerational living, family structure, and the health and well-being of older adults, and should promote intergenerational discussion.
Australian general practice registrars’ experiences of training, well-being and support during the COVID-19 pandemic: a qualitative study
Authors: White Isabella , Benson Jill , Elliott Taryn , Walters Lucie 
Published: June 2022

ObjectivesProviding well-supported general practice (GP) training is fundamental to strengthen the primary health workforce. Research into the unique needs of GP registrars during disasters is limited. Registrar burnout and insufficient support have been associated with personal and professional detrimental effects. This study aims to explore the experiences of Australian GP registrars with learning, well-being and support from their training organisation during the COVID-19 pandemic, and to guide training organisation efforts to support registrars through future disasters.SettingInterviews were conducted via Zoom.ParticipantsFifteen GP registrars from South Australia, Victoria and New South Wales who had experienced community-based GP training in both 2019 (prepandemic) and 2020 (early pandemic).Outcome measuresTraining, well-being and support experiences were explored. Interviews were recorded and transcribed and themes analysed.ResultsDiverse experiences were reported: changes included telehealth, online tutorials, delayed examinations and social restrictions. Social and professional connections strongly influenced experiences. Personal and training factors were also important. Additional GP training organisation support was minimally needed when strong connections were in place.ConclusionsThis study identifies aspects of support which shaped registrars’ diverse experiences of COVID-19, particularly regarding professional and social connections. Findings illustrate the importance of broad principles around supporting registrar well-being. Particularly significant aspects of support include connection to educational mentors such as supervisors and medical educators; connection and culture within practices; opportunities to share clinical experiences; and connection to personal social supports. Participation in this global disaster contributed to registrars’ developing professionalism. GP training organisations are positioned to implement monitoring and supports for registrars through disasters. Although registrars may not require significant GP training organisation intervention where powerful professional and personal connections exist, strong foundational GP training organisation supports can be established and augmented to support registrars in need before and during future disasters. These findings contribute to the global developing field of knowledge of registrar training and well-being needs during crises.
Isolating the net effect of multiple government interventions with an extended Susceptible-Exposed-Infectious-Recovered (SEIR) framework: empirical evidence from the second wave of COVID-19 pandemic in China
Authors: Liu Jie , Gao Boya , Bao Helen Xiaohui , Shi Zhenwu 
Published: June 2022

ObjectiveBy using a data-driven statistical approach, we isolated the net effect of multiple government interventions that were simultaneously implemented during the second wave of COVID-19 pandemic in China.Design, data sources and eligibility criteriaWe gathered epidemiological data and government interventions data of nine cities with local outbreaks during the second wave of COVID-19 pandemic in China. We employed the Susceptible-Exposed-Infectious-Recovered (SEIR) framework model to analyse the different pathways of transmission between cities with government interventions implementation and those without. We introduced new components to the standard SEIR model and investigated five themes of government interventions against COVID-19 pandemic.Data extraction and synthesisWe extracted information including study objective, design, methods, main findings and implications. These were tabulated and a narrative synthesis was undertaken given the diverse research designs, methods and implications.ResultsSupported by extensive empirical validation, our results indicated that the net effect of some specific government interventions (including masks, environmental cleaning and disinfection, tracing, tracking and 14-day centralised quarantining close contacts) had been significantly underestimated in the previous investigation. We also identified important moderators and mediators for the effect of certain government interventions, such as closure of shopping mall and restaurant in the medium-risk level areas, etc. Linking the COVID-19 epidemiological dynamics with the implementation timing of government interventions, we detected that the earlier implementation of some specific government interventions (including targeted partial lockdown, tracing, tracking and 14-day centralised quarantining close contacts) achieved the strongest and most timely effect on controlling COVID-19, especially at the early period of local outbreak.ConclusionsThese findings provide important scientific information for decisions regarding which and when government interventions should be implemented to fight against COVID-19 in China and beyond. The proposed analytical framework is useful for policy-making in future endemic and pandemic as well.
Fock state-enhanced expressivity of quantum machine learning models
Authors: Gan Beng Yee , Leykam Daniel , Angelakis Dimitris G. 
Published: June 2022

AbstractThe data-embedding process is one of the bottlenecks of quantum machine learning, potentially negating any quantum speedups. In light of this, more effective data-encoding strategies are necessary. We propose a photonic-based bosonic data-encoding scheme that embeds classical data points using fewer encoding layers and circumventing the need for nonlinear optical components by mapping the data points into the high-dimensional Fock space. The expressive power of the circuit can be controlled via the number of input photons. Our work sheds some light on the unique advantages offered by quantum photonics on the expressive power of quantum machine learning models. By leveraging the photon-number dependent expressive power, we propose three different noisy intermediate-scale quantum-compatible binary classification methods with different scaling of required resources suitable for different supervised classification tasks.
Optimization Analysis of Two-Factor Continuous Variable between Thread Depth and Pitch of Microimplant under Toque Force
Authors: Ye Yushan , Jiao Jiuyang , Fan Song , He Jieying , Wang Yamei , Yao Qinghe , Wang Wei , Li Jinsong , Chang Shaohai 
Published: June 2022

Microimplant, an anchorage device, is widely applied in clinical orthodontic treatment. Since tooth torque is required to be controlled during orthodontic tooth movement, a novel microimplant needs to be developed to apply better torque force during orthodontic. In this study, the optimal value ranges of thread depth and pitch under toque force were studied for choosing microimplant with relevant value ranges in clinical design from biomechanical perspective. Finite element analysis (FEA) and optimization design technology were used for accessing the optimal value ranges of thread depth and pitch under toque force. Thread depth (

D

) (0.1 mm to 0.4 mm) and pitch (

P

) (0.4 mm to 1 mm) were used as continuous variables, with the other parameters as constant, and the optimal value ranges were obtained by analyzing the tangent slope and sensitivity of the response curve. When a torque force of 6 Nmm was applied on the microimplant, the maximum equivalent stress (Max EQV) of cortical bone and maximum displacements (Max DM) of microimplant were analysis indexes. When

0.55

mm
≤
P
≤
1

mm

, the Max EQV of cortical bone was relatively smaller with less variation range. When

0.1

mm
≤
D
≤
0.35

mm

, the Max DM of microimplant was relatively smaller with less variation range. So in conclusion, the initial stability of microimplants with pitch

0.55

mm
≤
P
≤
1

mm

and thread depth

0.1

mm
≤
D
≤
0.35

mm

was better with the torque force applied.