bluuebunny/crossref_metadata_2025_split huggingface dataset:
On the modeling and simulation of coupled adsorption and thermosolutal convection in supercritical carbon dioxide
Authors: Smahi Housseyn , Ameur Djilali , Dib Joanna , Raspo Isabelle 
Published: January 2022

AbstractIn this paper, we present a numerical study along with an exhaustive adsorption investigation in a binary dilute mixture model nearby the solvent’s critical point in a configuration relevant for soil remediation. By means of this model, mass and heat transfer efficiency were qualitatively and quantitatively discussed through this work. The convergence of the solution was evaluated on the values of the Nusselt and Sherwood numbers. The results reveal intense convection expanding into the cavity close to the critical point, thus enabling homogeneous adsorption of the solute. Moreover, the mass fraction perturbation isolines exhibit the existence, along the adsorbent plate, of a thin boundary layer which becomes thinner when approaching the critical point.
Adjuvant Capecitabine for Early Breast Cancer: 15-Year Overall Survival Results From a Randomized Trial
Authors: Joensuu Heikki , Kellokumpu-Lehtinen Pirkko-Liisa , Huovinen Riikka , Jukkola Arja , Tanner Minna , Ahlgren Johan , Auvinen Päivi , Lahdenperä Outi , Villman Kenneth , Nyandoto Paul , Nilsson Greger , Poikonen-Saksela Paula , Kataja Vesa , Bono Petri , Junnila Jouni , Lindman Henrik 
Published: January 2022

PURPOSE Few data are available regarding the influence of adjuvant capecitabine on long-term survival of patients with early breast cancer. METHODS The Finland Capecitabine Trial (FinXX) is a randomized, open-label, multicenter trial that evaluates integration of capecitabine to an adjuvant chemotherapy regimen containing a taxane and an anthracycline for the treatment of early breast cancer. Between January 27, 2004, and May 29, 2007, 1,500 patients with axillary node-positive or high-risk node-negative early breast cancer were accrued. The patients were randomly allocated to either TX-CEX, consisting of three cycles of docetaxel (T) plus capecitabine (X) followed by three cycles of cyclophosphamide, epirubicin, and capecitabine (CEX, 753 patients), or to T-CEF, consisting of three cycles of docetaxel followed by three cycles of cyclophosphamide, epirubicin, and fluorouracil (CEF, 747 patients). We performed a protocol-scheduled analysis of overall survival on the basis of approximately 15-year follow-up of the patients. RESULTS The data collection was locked on December 31, 2020. By this date, the median follow-up time of the patients alive was 15.3 years (interquartile range, 14.5-16.1 years) in the TX-CEX group and 15.4 years (interquartile range, 14.8-16.0 years) in the T-CEF group. Patients assigned to TX-CEX survived longer than those assigned to T-CEF (hazard ratio 0.81; 95% CI, 0.66 to 0.99; P = .037). The 15-year survival rate was 77.6% in the TX-CEX group and 73.3% in the T-CEF group. In exploratory subgroup analyses, patients with estrogen receptor–negative cancer and those with triple-negative cancer treated with TX-CEX tended to live longer than those treated with T-CEF. CONCLUSION Addition of capecitabine to a chemotherapy regimen that contained docetaxel, epirubicin, and cyclophosphamide prolonged the survival of patients with early breast cancer.
Molecular Field Analysis Using Computational-Screening Data in Asymmetric N-Heterocyclic Carbene-Copper Catalysis toward Data-Driven In Silico Catalyst Optimization
Authors: Mukai Masakiyo , Nagao Kazunori , Yamaguchi Shigeru , Ohmiya Hirohisa 
Published: January 2022

Abstract
A molecular-field-based regression analysis using computational screening data for N-heterocyclic carbene (NHC)-Cu-catalyzed asymmetric carbonyl additions of a silylboronate to aldehydes is reported. A computational screening was performed to collect enantioselectivity data (ΔΔG‡: energy differences between the transition states leading to each enantiomer) via transition-state (TS) calculations using density functional theory (DFT) methods. A molecular field analysis (MFA) was carried out using the obtained calculated ΔΔG‡ values and TS structures (30 samples in total). Important structural information for enantioselectivity extracted by the MFA was visualized on the TS structures, which provided insight into an asymmetric induction mechanism. Based on the obtained information, chiral NHC ligands were designed, which showed improved enantioselectivity in these carbonyl additions (designed ligands: up to 96% ee, initial training samples: up to 73% ee).
2-Methylimidazole-Induced Synthesis of 2D Amorphous FeCoNi Ternary Hydroxides Nanosheets by Mechanochemical Approach for Oxygen Evolution Reaction
Authors: Ma Junchao , He Wenxiu , Meng Fanbao , Fu Yu 
Published: January 2022

Abstract
Designing a highly active electrocatalyst is crucial for oxygen evolution reaction (OER). Multi-metallic materials with two-dimensional (2D) morphology and amorphous structure may be very prospective electrocatalysts, which deserve to be highly explored. In this work, we propose a solid-phase grinding method to skillfully synthesize amorphous FeCoNi ternary hydroxides nanosheets using 2-methylimidazole as inducer to provide hydroxyl (OH−). This reaction is simple and rapid without additional solvents or large mechanical forces. The prepared FeCoNi nanosheet (called FeCoNi-NS) loaded on Ni foam exhibits superior OER activity with a low overpotential of 262 mV at the current density of 10 mA·cm−2 and a small Tafel slope of 39.4 mV·dec−1. This work puts forward an interesting and environmentally friendly synthetic strategy of multi-metallic hydroxides, which opens up a green way for the commercial application of OER catalysts.
Crystallization-Induced Uniform Nanodot Formation of Titanium Dioxide Films
Authors: Hara Mitsuo , Oguri Ryota , Sarkar Shingo , Nagano Shusaku , Seki Takahiro 
Published: January 2022

Abstract
We propose a simple technique to fabricate a uniform nanodot array of titanium dioxide via two-dimensional shrinkage in the amorphous-to-crystalline (anatase) transformation during calcination of a precursor film. Increasing the calcination temperature from 400 °C to 600 °C enhances the crystal size diameter from ca. 10 to 20 nm, while mixing the precursor film with a thermotropic liquid crystalline amphiphilic block copolymer results in dot arrays with more uniform particle size.
Computational Study of the Rh/phanephos-Catalyzed Enantioselective [2+2+2] Cyclization of Enediyne, Affording Lactone-Fused Cyclohexadiene Bearing a Quaternary Bridgehead Carbon
Authors: Yamamoto Yoshihiko 
Published: January 2022

Abstract
The mechanism of the Rh/phanephos-catalyzed enantioselective [2+2+2] cyclization of an ester-tethered enediyne, which produces a lactone-fused cyclohexadiene bearing an all-carbon quaternary bridgehead carbon, was computationally analyzed using density functional theory (DFT) calculations. This study suggests that the initial oxidative coupling occurs with the 1,6-diyne moiety rather than the 1,6-enyne moiety of the enediyne substrate, and the subsequent insertion of the pendant alkene into the resultant rhodacyclopentadiene intermediate is the enantioselectivity determining step. Further, it is suggested that the experimentally favored enantiomer should be produced through endo-mode alkene insertion followed by two-step reductive elimination. Moreover, DFT calculations show that the Rh/2,2′-bis(diphenylphosphino)-1,1′-binaphthyl (BINAP) catalyst enables the [2+2+2] cyclization of an enediyne bearing a methyl substituent at the propiolate terminus, which is not feasible using the Rh/phanephos catalyst.
C(sp3)–H Bond Functionalization Mediated by Hydride a Shift/Cyclization System
Authors: Mori Keiji 
Published: January 2022

Abstract
An efficient catalytic internal redox reaction (hydride shift mediated C(sp3)–H bond functionalization) has been developed, which has the following salient features: (1) C(sp3)–H bond functionalization, (2) Lewis and/or Brønsted acid catalyzed reaction (transition metals employed in conventional C–H bond functionalization are not required), and (3) construction of complex polycycles that are otherwise difficult to synthesize by conventional methods. Our recent efforts on the development of novel types of C(sp3)–H bond functionalization mediated by the hydride shift/cyclization system are described.
3D object detection combining semantic and geometric features from point clouds
Authors: Peng Hao , Tong Guofeng , Li Zheng , Wang Yaqi , Shao Yuyuan 
Published: January 2022

Background: 3D object detection based on point clouds in road scenes has attracted much attention recently. The voxel-based methods voxelize the scene to regular grids, which can be processed with the advanced feature learning frameworks based on convolutional layers for semantic feature learning. The point-based methods can extract the geometric feature of the point due to the coordinate reservations. The combination of the two is effective for 3D object detection. However, the current methods use a voxel-based detection head with anchors for classification and localization. Although the preset anchors cover the entire scene, it is not suitable for detection tasks with larger scenes and multiple categories of objects, due to the limitation of the voxel size. Additionally, the misalignment between the predicted confidence and proposals in the Regions of the Interest (ROI) selection bring obstacles to 3D object detection. Methods: We investigate the combination of voxel-based methods and point-based methods for 3D object detection. Additionally, a voxel-to-point module that captures semantic and geometric features is proposed in the paper. The voxel-to-point module is conducive to the detection of small-size objects and avoids the presets of anchors in the inference stage. Moreover, a confidence adjustment module with the center-boundary-aware confidence attention is proposed to solve the misalignment between the predicted confidence and proposals in the regions of the interest selection. Results: The proposed method has achieved state-of-the-art results for 3D object detection in the Karlsruhe Institute of Technology and Toyota Technological Institute (KITTI) object detection dataset. Actually, as of September 19, 2021, our method ranked 1st in the 3D and Bird Eyes View (BEV) detection of cyclists tagged with difficulty level ‘easy’, and ranked 2nd in the 3D detection of cyclists tagged with ‘moderate’. Conclusions: We propose an end-to-end two-stage 3D object detector with voxel-to-point module and confidence adjustment module.
Kinematics analysis and gait planning for a hemiplegic exoskeleton robot
Authors: Li Pengbo , Wang Can , He Bailin , Liu Jiaqing , Wu Xinyu 
Published: January 2022

Background: As the world's aging population increases, the number of hemiplegic patients is increasing year by year. At present, in many countries with low medical level, there are not enough rehabilitation specialists. Due to the different condition of patients, the current rehabilitation training system cannot be applied to all patients. so that patients with hemiplegia cannot get effective rehabilitation training. Methods: Through a motion capture experiment, the mechanical design of the hip joint, knee joint and ankle joint was rationally optimized based on the movement data. Through the kinematic analysis of each joint of the hemiplegic exoskeleton robot, the kinematic relationship of each joint mechanism was obtained, and the kinematics analysis of the exoskeleton robot was performed using the Denavit-Hartenberg (D-H) method. The kinematics simulation of the robot was carried out in automatic dynamic analysis of mechanical systems (ADAMS), and the theoretical calculation results were compared with the simulation results to verify the correctness of the kinematics relationship. According to the exoskeleton kinematics model, a mirror teaching method of gait planning was proposed, allowing the affected leg to imitate the movement of the healthy leg with the help of an exoskeleton robot. Conclusions: A new hemiplegic exoskeleton robot designed by Shenzhen Institute of Advanced Technology (SIAT-H) is proposed, which is lightweight, modular and anthropomorphic. The kinematics of the robot have been analyzed, and a mirror training gait is proposed to enable the patient to form a natural walking posture. Finally, the wearable walking experiment further proves the feasibility of the structure and gait planning of the hemiplegic exoskeleton robot.
How academic sabbaticals are used and how they contribute to research – a small-scale study of the University of Cambridge using interviews and analysis of administrative data
Authors: Ioppolo Becky , Wooding Steven 
Published: January 2022

Background: Academic sabbaticals are seen as an important aspect of academic life and require considerable resources, however, little research has been done into how they are used and whether their effects can be measured. We explored these issues at the University of Cambridge. Methods: A mixed method approach including 24 interviews with academics, eight interviews with administrators; alongside analysis of administrative and publication data between 2010 and 2019. Results: Academics underline the importance of sabbaticals in providing uninterrupted time for research that is used to think, explore new ideas, master new techniques, develop new collaborations, draw together previous work, set work in a wider context, and provide personal discretion in research direction. They also highlight sabbaticals’ contributions in allowing the beneficial effects of combining teaching and research, while mitigating some of the disadvantages. However, it is difficult to detect the effect of sabbaticals on publications using a time series approach. Conclusions: Sabbaticals provide manifold contributions to academic research at the University of Cambridge; however, detecting and quantifying this contribution, and extending these findings requires wider and more detailed investigation.
Genesis of the suvorovsk education or where is the state man prepared today?
Authors: Serdyuk Natal'ya , Polyakov Aleksey 
Published: January 2022

the review article presents a historical and pedagogical retrospective of Suvorov military education in educational organizations of the Ministry of Internal Affairs of Russia from the 40s of the XX century to the present, identifies problems and trends in the training of pupils of the Suvorov military schools of the Ministry of Internal Affairs of Russia, defines the essence of professional orientation of graduates-Suvorov service in the internal affairs bodies of the Russian Federation. The genesis of Suvorov education from the depths of cadet training and upbringing, the state and social nature of Suvorov education: the preparation of a statesman and the care of orphans of the dead servicemen and employees of internal affairs bodies. It has been determined that the Suvv military schools exercise the individual's right to choose an individual educational trajectory, on the one hand, and are obliged to fulfill the state order for training personnel for the activities of the internal affairs bodies of the Russian Federation, on the other.
Such dualism gives rise to the contradictory interpretation of constitutional norms associated with the right of a citizen to choose not only the direction of education, but also the direction of professional activity.
The age psychology of minors as a factor determining the features of the preliminary investigation of criminal cases involving them
Authors: Gorach Nikolay , Galkina Juliana 
Published: January 2022

The age psychology of minors is considered as a factor determining the features of the preliminary investigation of criminal cases involving them.
The article deals with issues related to the age psychology of minors, the object of which are the laws, patterns and trends of change in the human psyche, his behavior, life and personality throughout his life. At the same time, it is noted in the legal literature that most crimes committed by minors are due to age-related motivational specifics, committed on the basis of mischief, a misinterpreted sense of camaraderie and romance, the desire for self-affirmation, imitation of both adults and peers who enjoy authority.
The behavioral basis of juvenile offenders is formed under the influence of a number of factors, knowledge of which can be important when making tactical and procedural decisions by an investigator during pre-trial proceedings in a criminal case.
The behavior of adolescents is largely related to their age characteristics, which largely determine their behavior, which can be observed, including during the preliminary investigation of criminal cases involving them.
Thus, knowledge of the peculiarities of age psychology can make it possible to determine the most effective measures of educational work aimed at correcting behavior, correcting and re-educating juvenile offenders. It is these goals that the legislator takes into account, establishing the specifics of the proceedings both in cases of crimes committed by minors and the regulation of investigative actions involving minor victims and witnesses.
The peculiarities of the age psychology of minors must also be taken into account when choosing the tactics of investigative actions carried out with their participation, since this is one of the necessary conditions for achieving the goal of the investigative action and the preliminary investigation as a whole.
Features of the formation of the personality of a minor offender
Authors: Teregulova Oxana 
Published: January 2022

The interest in the problems of the personality of juvenile offenders is primarily explained by the number of offenses and crimes committed by minors. At the same time, particularly dangerous crimes take place in the structure of crimes, such as. Like murder, rape, robbery, vandalism and others. In this regard, special attention is required to study the personality of the offender, those features and properties that contribute to the commission of such crimes, as well as the nature of the interaction of this person with the micro and macro environment.
The article analyzes the socio-psychological personality traits of a minor offender, regardless of the type of offense.
Despite the differences in the motives and methods of committing various offenses, they are primarily characterized by 1) the antisocial orientation of the individual; 2) the resulting ability to a certain aggressive / illegal / criminal action in relation to a particular object; 3) the presence of an appropriate environmental situation.
The possibilities of using fairy tale therapy in dealing with destructive psychological scenarios of first-year students of educational institutions of higher education
Authors: Chernega Eugenia 
Published: January 2022

The article considers one of such obstacles to qualitative constructive changes in personality development, namely the destructive behavioral scenario. Many people repeatedly lose certain behavioral scenarios without realizing their constructiveness or destructiveness. Close people in the process of raising a child influence the formation of beliefs, values and norms, including through fairy tales, initially offering certain fairy tales to the child, guided by their own preferences and assessments of the actions of the characters. Recently, this genre of folk folklore has been actively used in psychology and pedagogy as an element of correction.
The purpose of the study was to identify destructive behavioral scenarios. The communicative-cognitive and psychosomatic approaches were used, the study was conducted in the 2019-2020 academic year in educational institutions of higher education of the Moscow region. The respondents of the study were 60 first-year students of various (average age 18.7 years). Male and female students were equally present.
The results of the study show that first-year students of educational institutions of higher education demonstrate a certain attitude towards themselves and the world, reflected in the fundamental resource life attitudes formed in childhood through fairy tales. This attitude affects their current state, which is characterized by a commitment to the previous lifestyle, but also a desire for transformations associated with a change in the social situation of development
Features of volitional self-regulation of convicts preparing for parole
Authors: Sobolev Nikolay , Lobanova Elena , Mikhaylov Aleksey 
Published: January 2022

Abstract. Modern society is characterized by a large number of emergencies or situations, under the influence of which a person activates special mechanisms that help not only adapt in society, but also adapt to any situation that has arisen, often a conflict-gene. One of the internal resources that allows a person to overcome difficult, stressful situations in modern society is the volitional sphere of the personality.
It seems that the study of the volitional sphere of convicts can become the basis for psychological support of convicts to imprisonment at all stages of serving their sentences, contribute to the development and implementation of effective programs to prepare for parole.
The purpose of the study was to study the features of the volitional sphere of convicts preparing for parole.
According to the results of the study, it was possible to establish that convicts preparing for parole, serving sentences in a strict regime colony to a greater extent, are characterized by a superficial attitude to affairs, a tendency to take thoughtless risks, weak volitional processes, unwillingness to apply physical and mental efforts, emotional instability and severe anxiety, which probably increases the likelihood of committing repeated crimes.
At the same time, convicts preparing for parole, serving sentences in a settlement colony, are largely characterized by the ability to control their emotions and show initiative and perseverance when making a responsible decision. It seems that, to a sufficient degree, self-confidence frees from the fear of the unknown, increases the readiness to accept the new, the unexpected, and, as a rule, is combined with freedom of opinion, a tendency to innovation.
Wound-directed revascularisation in the Diabetic Foot patients
Authors: Kononenko N. , Sheikhali A. 
Published: January 2022

Introduction: Peripheral arterial diseases in patients with diabetic foot have significant features in pathogenesis, manifestations and course compared with peripheral arterial disease. These features require different approaches to treatment and the the angiosome theory can help increase the effectiveness of revascularization in patients with diabetic foot.
The aim: Analyse the results of revascularisation of lower extremity arteries in the patients with ischemic diabetic foot ulcers according to the angiosome theory.
Materials and metods: We analysed 98 revascularisations of arteries of 77 lower limbs in 74 ischemic diabetic foot patients for the period from 2017 to 2021. Angioplasties were performed in 71 cases (72,5%), open operations – in 21 (21,4%), hybrid operations – 6 (6,1%). According to angiosome theory we divided the revascularizations into two groups. І group – direct revascularizations (DR) – 57 cases, ІІ group – indirect revascurizations (IR) – 21 cases.
Results: Within 6 months foot lesions healing fixed in І group (DR) - 81.7%, in ІІ group (IR) – 78.6%. Major amputations were the consequences of 17,1% revascularizations: DR group – 12,4%, IR group – 33,3%. Functional capacity of the lower extremity within one year was saved in 79,3% in DR group and in 57,9% in IR group. Repeated revascularizations accounted for 21,4% of cases: in DR group – 20,5%, in IR group – 25%.
The results of the statistical analysis revealed the dependence of the risk of amputation on adherence to angiosome theory during revascularization.
Conclusions: Angiosome-targeted revascularization in the area of foot lesions increases efficiency of the revascularization and improves immediate and long-term treatment results.