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Magnesium borohydride Mg(BH_(4))_(2) for energy applications:A review

Journal of Materials Science & Technology 2023年第30期161卷 170-179页

作者： Xiao Li Yigang Yan Torben R.Jensen Yaroslav Filinchuk Iurii Dovgaliuk dmitry Chernyshov Liqing He Yongtao Li Hai-Wen Li Hefei General Machinery Research Institute Hefei 230031China Institute of New Energy and Low-Carbon Technology Sichuan UniversityChengdu 610207China Department of Chemistry and Interdisciplinary Nanoscience Center Aarhus UniversityLangelandsgade 140Aarhus C 8000Denmark Institute of Condensed Matter and Nanosciences UniversitéCatholique de LouvainPlace L.Pasteur 1B-1348Louvain-la-NeuveBelgium Institut des Matériaux Poreux de Paris UMR 8004 CNRSEcole Normale SupérieureEcole Supérieure de Physique et de Chimie Industrielles de ParisPSL UniversitéParis 75005France Swiss-Norwegian Beamlines at the European Synchrotron Radiation Facility 71 Avenue des MartyrsGrenoble 38000France School of Materials Science and Engineering Anhui University of TechnologyMaanshan 243002China

Mg(BH_(4))_(2) with several polymorphs,known as a high capacity(14.9 wt.%)hydrogen storage material,has become more intriguing due to the recently found new functions of gas physisorption and ionic *** we review the state-of-the-art on the energy related functions of Mg(BH_(4))_(2).Mg(BH_(4))_(2) tends to form the stable intermediate[B_(12)H_(12)]^(2−) when the dehydrogenation temperature is above 400℃,the strong B-B bonding of which makes the rehydrogenation condition very *** contrast,lower borane intermediate[B_(3)H_(8)]2−facilitates the rehydrogenation even at a mild condition of 100℃,suggesting the possibility of reversible hydrogen storage in Mg(BH_(4))_(2).The porous polymorphγ-Mg(BH_(4))_(2) shows attrac-tive gas adsorption properties in view of its unique hydridic surface and pore shape,and potentially can be applied in hydrogen adsorption and Kr/Xe selectivity.A new diffraction-based adsorption methodology was developed to characterize adsorption thermodynamics and kinetics ofγ-Mg(BH_(4))_(2),providing a novel idea for the characterization of crystalline porous ***,the potential of Mg(BH_(4))_(2) as an electrolyte is discussed in the last ***(BH_(4))_(2)·THF/DME acts as a liquid electrolyte in Mg-batteries,while anion substituted or neutral molecule derivatives of Mg(BH_(4))_(2) can act as solid-state electrolyte.

关键词： Hydride Hydrogen storage Gas adsorption Hydrogen adsorption Electrolyte

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Low-Energy Driven Ring-Opening Behavior of Benzocyclobutene Derivatives

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Chinese Journal of Chemistry 2023年第23期41卷 3238-3244页

作者： Ziwei Yuan Quan Sun Jinchong Xiao Pingxia Zhang Konstantin S.Levchenko dmitry Y.Demin Wenxin Fu Laboratory of Science and Technology on High-Tech Polymer Materials Institute of ChemistryChinese Academy of SciencesBeijing100190 China College of Chemistry and Material Science Hebei UniversityBaodingHebei071002 China University of Chinese Academy of Sciences Beijing100049 China MIREA — Russian Technological University Moscow119454 Russian Federation

It's urgent to develop benzocyclobutene(BCB)-based polymers with low curing temperature for temperature-sensitive applications such as liquid crystal displays(LCDs)and flexible ***,the effect of substituents on the ring-opening behavior of BCB derivatives was *** ring-opening activation energy barriers(ΔGA)of BCB derivatives with one or two substituents on the four-membered alkyl ring were systematically calculated using the B3LYP *** mono-and di-substituted BCBs adopted the conrotatory ring-opening process,obeying the Woodward-Hoffmann's Rules upon *** mono-/di-substituted BCBs exhibited 8.2%—69%lowerΔGA compared with BCB,attributed to the electronic effects of the *** BCBs with both electron-donating and electron-withdrawing groups,e.g.,1-NH_(2)-8-NO_(2)-BCB,demonstrated the lowestΔ*** addition,BCB derivatives with amide/ester/acyloxy group modified on C1 position were synthesized as model molecules,and their ring-opening temperature can be decreased by 20℃ compared to the unsubstituted one,also consistent with our calculation *** work combined theoretical calculation methods with experimental results to provide valuable insights into the design and synthesis of BCB derivatives and next-generation BCB functional packaging materials with low ring-opening temperature.

关键词： Benzocyclobutene Thermosets Monomers Low curing temperature Activation energy barrier Electronic effect Captodative effect

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Mesozoic long-term eustatic cycles and their uncertain hierarchy

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Geoscience Frontiers 2015年第4期6卷 503-511页

作者： dmitry A.Ruban Department of Tourism Higher School of Business Southern Federal University International Agency for Minerals Policy ("MinPol")

Global sea-level has changed in a cyclic manner through geologic history, but the regularities of these changes are yet to be fully understood. Despite certain （and sometimes significant） differences, the available Mesozoic eustatic curves permit the outlining of long-term eustatic cycles, which are provi- sionally defined as cycles recognizable at the stage level and higher. Interpretation of the Triassic eustatic curves indicates two orders of long-term cycles and a lst-order sea-level rise throughout the entire period. The Jurassic eustatic curves imply cyclicity of one or two orders, and a 1st-order eustatic rise during the entire period is also evident. Most challenges are interpretations for the Cretaceous; two to four orders of long-term eustatic cycles can be established for this period. Generally, the hierarchy of the long-term eustatic cycles might have changed through the Mesozoic. If so, and if one considers differences of cycles of the same order between the periods of this era, it is difficult to apply ＂standard＂ hierarchical classifications to the documented cycles. The hypothetical uncertainty of the hierarchy of the Mesozoic long-term eustatic cycles is an imoortant challenge for modern researchers.

关键词： Global sea-leve Eustatic cycle Triassic Jurassic Cretaceous

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Were Late Cretaceous extinctions of gastropods selective by generic longevity?

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Geoscience Frontiers 2013年第1期4卷 87-93页

作者： dmitry A.Ruban Division of Mineralogy and Petrography Geology and Geography FacultySouthern Federal University

Many gastropod taxa went extinct during the Late Cretaceous. The stratigraphic ranges of 268 genera permit to establish the longevity of extinction victims for each stage of this epoch. ＂Young＂ taxa （originated within B epochs before the extinction） prevailed among victims of the extinctions in all stages. The proportion of ＂old＂ taxa （originated before the Cretaceous） that went extinct was the highest in the Cenomanian, and it was the lowest in the Coniacian and the Maastrichtian. It appears that the end-Cretaceous mass extinction affected chiefly ＂young＂ taxa. However, the comparison with the earlier time intervals suggests that this pattern of selectivity by generic longevity was not specific for the noted catastrophe, but, in contrast, it was typical for the entire Late Cretaceous. The latest Cenomanian environmental perturbation （OAE2） caused a stronger extinction of＂old＂ taxa, and thus, this biotic crisis was less selective by generic longevity. This hypothesis, however, is not proven by the statistical test.

关键词： Gastropods Extinction Longevity Selectivity Late Cretaceous

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Episodic events in long-term geological processes:A new classification and its applications

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Geoscience Frontiers 2018年第2期9卷 377-389页

作者： dmitry A.Ruban Southern Federal University 23-ja linija Street 43Rostov-na-Donu344019Russia

Long-term geological processes are usually described with curves reflecting continuous changes in the characteristic parameters through the geological history, and such curves can be employed directly for recognition of episodic(relatively long-term) events linked to these changes. The episodic events can be classified into several categories according to their scale(ordinary and anomalous events), "shape"(positive, negative, and neutral events), and relation to long-term trend change(successive, interruptive,facilitative, stabilizing, transformative, increasing, and decreasing). Many types of these events can be defined depending on the combination of the above-mentioned patterns. Of course, spatial rank,duration, and origin can be also considered in description of these events. The proposed classification can be applied to events in some real long-term geological processes, which include global sea-level changes,biodiversity dynamics, lithospheric plate number changes, and palaeoclimate changes. Several case examples prove the usefulness of the classification. It is established that the Early Valanginian(Early Cretaceous) eustatic lowstand(the lowest position of the sea level in the entire Cretaceous) was negative,but ordinary and only interruptive event. In the other case, it becomes clear that the only end-Ordovician and the Permian/Triassic mass extinctions transformed the trends of the biodiversity dynamics(from increase to decrease and from decrease to increase respectively), and the only Cretaceous/Paleogene mass extinction was really anomalous event on the Phanerozoic biodiversity curve. The new palaeontological data are employed to reconstruct the diversity dynamics of brachiopods in Germany(without the Alps) and the Swiss Jura Mountains. The further interpretation of the both diversity curves implies that the Early Toarcian mass extinction affected the regional brachiopod faunas strongly, but this event was only decreasing(biotic radiation continued after

关键词： Biodiversity dynamics Early Triassic warming Geological classification Plate tectonics Toarcian

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Modeling of cold-temperate tree Pinus koraiensis (Pinaceae) distribution in the Asia-Pacific region: Climate change impact

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Forest Ecosystems 2022年第2期9卷 160-167页

作者： Tatyana Y.Petrenko Kirill A.Korznikov dmitry E.Kislov Nadezhda G.Belyaeva Pavel V.Krestov Botanical Garden-Institute FEB RAS Makovskogo St.142Vladivostok690024Russia Institute of Geography RAS Staromonetniy 24-4Moscow119017Russia

Background:Pinus koraiensis Siebold&Zucc.(Korean pine)is a key species of the mixed cold temperate forests of Northeast *** climate change can significantly worsen the quality of *** habitats and therefore lead to a large-scale structural and functional transformation of the East Asian mixed *** built a species distribution model(SDM)for *** using the random forest classifier–a versatile machine learning al-gorithm,to discover overlap areas of potential species occurrence in the climate condition of the Last Glacial Maximum(~21,000 year before present)and in the projected future climates(2070 year),from which possible permanent refugia for *** were ***:Using the random forest supervised learning algorithm,we developed models of the modern distribution of *** in accordance with the five selected bioclimatic variables(Kira’s warmth and coldness indices,the index of continentality,the rain precipitation index,and the snow precipitation index).In addition to current climatic conditions,we performed this analysis for the climate of the Last Glacial Maximum and for the future projected climate(2070)under scenarios RCP2.6 and *** the predictors,the rain index appears to be the most *** land area estimates with high suitability for *** was 303,785 km 2 under current climatic conditions,586,499 km 2 for the Last Glacial Maximum,and 337,573 km^(2) for the future(2070)period under the RCP2.6 scenario,and 397,764 km^(2) under the RCP8.5 ***:Most of the potential range of *** during the Last Glacial Maximum was located outside the current distribution area of the *** climatically suitable *** habitats will likely disappear in the western part of its modern *** the southern part of the range,which includes glacial refugia,the areas of continuous distribution of the *** populations since the end of the Pleistocene are expected to

关键词： Climate change Bioclimatic modeling Species distribution model Korean pine Northeast Asia

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Ilizarov bone transport combined with the Masquelet technique for bone defects of various etiologies (preliminary results)

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World Journal of Orthopedics 2022年第3期13卷 278-288页

作者： dmitry Y Borzunov Sergey N Kolchin Denis S Mokhovikov Tatiana A Malkova Department of Taumatology and Orthopedics Ural State Medical UniversityEkaterinburg 620109Russia Orthopaedic Department 4 Ilizarov National Medical Research Center for Traumatology and OrthopaedicsKurgan 640014Russia Department of Medical Information and Analysis Ilizarov National Medical Research Center for Traumatology and OrthopaedicsKurgan 640014Russia

BACKGROUND The Ilizarov bone transport(IBT)and the Masquelet induced membrane technique(IMT)have specific merits and shortcomings,but numerous studies have shown their efficacy in the management of extensive long-bone defects of various etiologies,including congenital *** their strong benefits seems a promising strategy to enhance bone regeneration and reduce the risk of refractures in the management of post-traumatic and congenital defects and nonunion that failed to respond to other *** To combine IBT and IMT for the management of severe tibial defects and pseudarthrosis,and present preliminary results of this technological *** Seven adults with post-traumatic tibial defects(subgroup A)and nine children(subgroup B)with congenital pseudarthrosis of the tibia(CPT)were treated with the combination of IMT and IBT after the failure of previous *** mean number of previous surgeries was 2.0±0.2 in subgroup A and 3.3±0.7 in subgroup *** 1 included Ilizarov frame placement and spacer introduction into the defect to generate the induced membrane which remained in the interfragmental gap after spacer *** 2 was an osteotomy and bone transport of the fragment through the tunnel in the induced membrane,its compression and docking for consolidation without *** outcomes were retrospectively studied after a mean follow-up of 20.8±2.7 mo in subgroup A and 25.3±2.3 mo in subgroup *** The“true defect”after resection was 13.3±1.7%in subgroup A and 31.0±3.0%in subgroup B relative to the contralateral *** completion of treatment,defects were filled by 75.4±10.6%and 34.6±4.2%,*** duration of external fixation was 397±9.2 and 270.1±16.3 d,including spacer retention time of 42.4±4.5 and 55.8±6.6 d,in subgroups A and B,*** infection was not *** complications were several cases of pin-tract infection and regenerate deformity in both *** regener

关键词： Ilizarov bone transport Induced membrane technique Post-traumatic tibial defect Congenital pseudarthrosis of the tibia Distraction osteogenesis Regeneration

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Explainability-based Trust Algorithm for electricity price forecasting models

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Energy and AI 2023年第4期14卷 141-158页

作者： Leena Heistrene Ram Machlev Michael Perl Juri Belikov dmitry Baimel Kfir Levy Shie Mannor Yoash Levron Electrical Engineering Department School of TechnologyPandit Deendayal Energy UniversityGandhinagarGujarat382007India The Andrew and Erna Viterbi Faculty of Electrical&Computer Engineering Technion-Israel Institute of TechnologyHaifa3200003Israel Department of Software Science Tallinn University of TechnologyAkadeemia tee 15ATallinn12618Estonia Electrical&Electronics Engineering Department Sami Shamoon College of EngineeringBeer-Sheva84100Israel

Advanced machine learning(ML)algorithms have outperformed traditional approaches in various forecasting applications,especially electricity price forecasting(EPF).However,the prediction accuracy of ML reduces substantially if the input data is not similar to the ones seen by the model during *** is often observed in EPF problems when market dynamics change owing to a rise in fuel prices,an increase in renewable penetration,a change in operational policies,*** the dip in model accuracy for unseen data is a cause for concern,what is more,challenging is not knowing when the ML model would respond in such a *** uncertainty makes the power market participants,like bidding agents and retailers,vulnerable to substantial financial loss caused by the prediction errors of EPF ***,it becomes essential to identify whether or not the model prediction at a given instance is *** this light,this paper proposes a trust algorithm for EPF users based on explainable artificial intelligence *** suggested algorithm generates trust scores that reflect the model’s prediction quality for each new *** scores are formulated in two stages:in the first stage,the coarse version of the score is formed using correlations of local and global explanations,and in the second stage,the score is fine-tuned further by the Shapley additive explanations values of different *** score-based explanations are more straightforward than feature-based visual explanations for EPF users like asset managers and traders.A dataset from Italy’s and ERCOT’s electricity market validates the efficacy of the proposed *** show that the algorithm has more than 85%accuracy in identifying good predictions when the data distribution is similar to the training *** the case of distribution shift,the algorithm shows the same accuracy level in identifying bad predictions.

关键词： Electricity price forecasting EPF Explainable AI model XAI SHAP Explainability

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Previous hepatitis B viral infection–an underestimated cause of pancreatic cancer

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World Journal of Gastroenterology 2022年第33期28卷 4812-4822页

作者： Sergey Batskikh Sergey Morozov Alexey Dorofeev Zanna Borunova dmitry Kostyushev Sergey Brezgin Anastasiya Kostyusheva Vladimir Chulanov Department of Hepatology Moscow Clinical Scientific Center N.A.A.S.LoginovMoscow 111123Russia Department of Gastroenterology Hepatology and NutritionFederal Research Center of NutritionBiotechnology and Food SafetyMoscow 115446Russia Department of Scientific and Clinical Laboratory Research Moscow Clinical Scientific Center N.A.A.S.LoginovMoscow 111123Russia Laboratory of Genetic Technologies Sechenov UniversityMoscow 119435Russia Division of Biotechnology Scientific Center for Genetics and Life SciencesSirius University of Science and TechnologySochi 354340Russia Laboratory of Genetic Technologies and Translational Research National Medical Research Center for Tuberculosis and Infectious Diseases of Ministry of Health of RussiaMoscow 127994Russia

BACKGROUND The etiology of pancreatic cancer remains unclear. This limits the possibility of prevention and effective treatment. Hepatitis B virus(HBV) is responsible for the development of different types of cancer, but its role in pancreatic cancer is still being *** To assess the prevalence of previous HBV infection and to identify viral biomarkers in patients with pancreatic ductal adenocarcinoma(PDAC) to support the role of the virus in etiology of this *** The data of 130 hepatitis B surface antigen-negative subjects were available for the final analysis,including 60 patients with PDAC confirmed by cytology or histology and 70 sex-and age-matched controls. All the participants were tested for HBV biomarkers in blood [antibody to hepatitis B core antigen(anti-HBc), antibody to hepatitis B surface antigen(anti-HBs) and HBV DNA], and for those with PDAC, biomarkers in resected pancreatic tissues were tested(HBV DNA, HBV pregenomic RNA and covalently closed circular DNA). We performed immunohistochemistry staining of pancreatic tissues for hepatitis B virus X antigen and Ki-67 protein. Non-parametric statistics were used for the *** Anti-HBc was detected in 18/60(30%) patients with PDAC and in 9/70(13%) participants in the control group(P = 0.029). Accordingly, the odds of PDAC in anti-HBc-positive subjects were higher compared to those with no previous HBV infection(odds ratio: 2.905, 95% confidence interval: 1.191-7.084, standard error 0.455). HBV DNA was detected in 8 cases of PDAC and in 6 of them in the pancreatic tumor tissue samples only(all patients were anti-HBc positive). Blood HBV DNA was negative in all subjects of the control group with positive results of the serum anti-HBc test. Among 9 patients with PDAC, 5 revealed signs of replicative competence of the virus(covalently closed circular DNA with or without pregenomic RNA) in the pancreatic tumor tissue samples. Hepatitis B virus X antigen expression and active cell

关键词： Hepatitis B virus Previous hepatitis B Occult hepatitis B virus infection Pancreatic cancer Pancreatic ductal adenocarcinoma

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Operating limits and features of direct air capture on K_(2)CO_(3)/ZrO_(2) composite sorbent

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Chinese Journal of Chemical Engineering 2022年第6期35卷 11-20页

作者： Vladimir S.Derevschikov Janna V.Veselovskaya Anton S.Shalygin dmitry A.Yatsenko Andrey Z.Sheshkovas Oleg N.Martyanov Boreskov Institute of Catalysis SB RAS Akademika Lavrentieva Av.5630090 NovosibirskRussia Novosibirsk State University Pirogova Str.1630090 NovosibirskRussia

Potassium carbonate-based sorbents are prospective materials for direct air capture(DAC).In the present study,we examined and revealed the influence of the temperature swing adsorption(TSA)cycle conditions on the CO_(2) sorption properties of a novel aerogel-based K_(2)CO_(3)/ZrO_(2) sorbent in a DAC *** was shown that the humidity and temperature drastically affect the sorption dynamic and sorption capacity of the *** a temperature at the sorption stage was 29℃ and a water vapor pressure P_(H2O) in the feed air was 5.2 mbar(1 bar=105 Pa),the composite material demonstrated a stable CO_(2) sorption capacity of 3.4%(mass).An increase in sorption temperature leads to a continuous decrease in the CO_(2) absorption capacity reaching a value of 0.7%(mass)at T=80℃.The material showed the retention of a stable CO_(2) sorption capacity for many cycles at each temperature in the *** PH2O in the inlet air from 5.2 to 6.8 mbar leads to instability of CO_(2) sorption capacity which decreases in the course of 3 consecutive TSA cycles from 1.7%to 0.8%(mass)at T=29℃.A further increase in air humidity only facilitates the deterioration of the CO_(2) sorption capacity of the material.A possible explanation for this phenomenon could be the filling of the porous system of the sorbent with solid reaction products and an aqueous solution of potassium salts,which leads to a significant slowdown in the CO_(2) diffusion in the composite sorbent *** investigate the regeneration step of the TSA cycle in situ,the macro ATRFTIR(attenuated total reflection Fourier-transform infrared)spectroscopic imaging was applied for the first *** was shown that the migration of carbonate-containing species over the surface of sorbent occurs during the thermal regeneration stage of the TSA *** movement of the active component in the porous matrix of the sorbent can affect the sorption characteristics of the composite *** revealed features make it possible

关键词： Zirconia aerogel Potassium carbonate Carbon dioxide Direct air capture Fourier-transform infrared spectroscopic imaging

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