bluuebunny/crossref_metadata_2025 huggingface dataset:
Phenome-wide association study (PheWAS) of colorectal cancer risk SNP effects on health outcomes in UK Biobank
Authors: Zhang Xiaomeng , Li Xue , He Yazhou , Law Philip J. , Farrington Susan M. , Campbell Harry , Tomlinson Ian P. M. , Houlston Richard S. , Dunlop Malcolm G. , Timofeeva Maria , Theodoratou Evropi
Published: December 2021

Background

Associations between colorectal cancer (CRC) and other health outcomes have been reported, but these may be subject to biases, or due to limitations of observational studies.

Methods

We set out to determine whether genetic predisposition to CRC is also associated with the risk of other phenotypes. Under the phenome-wide association study (PheWAS) and tree-structured phenotypic model (TreeWAS), we studied 334,385 unrelated White British individuals (excluding CRC patients) from the UK Biobank cohort. We generated a polygenic risk score (PRS) from CRC genome-wide association studies as a measure of CRC risk. We performed sensitivity analyses to test the robustness of the results and searched the Danish Disease Trajectory Browser (DTB) to replicate the observed associations.

Results

Eight PheWAS phenotypes and 21 TreeWAS nodes were associated with CRC genetic predisposition by PheWAS and TreeWAS, respectively. The PheWAS detected associations were from neoplasms and digestive system disease group (e.g. benign neoplasm of colon, anal and rectal polyp and diverticular disease). The results from the TreeWAS corroborated the results from the PheWAS. These results were replicated in the observational data within the DTB.

Conclusions

We show that benign colorectal neoplasms share genetic aetiology with CRC using PheWAS and TreeWAS methods. Additionally, CRC genetic predisposition is associated with diverticular disease.
The role of Ubiquitination in Apoptosis and Necroptosis
Authors: Roberts Jamie Z. , Crawford Nyree , Longley Daniel B.
Published: December 2021

Cell death pathways have evolved to maintain tissue homoeostasis and eliminate potentially harmful cells from within an organism, such as cells with damaged DNA that could lead to cancer. Apoptosis, known to eliminate cells in a predominantly non-inflammatory manner, is controlled by two main branches, the intrinsic and extrinsic apoptotic pathways. While the intrinsic pathway is regulated by the Bcl-2 family members, the extrinsic pathway is controlled by the Death receptors, members of the tumour necrosis factor (TNF) receptor superfamily. Death receptors can also activate a pro-inflammatory type of cell death, necroptosis, when Caspase-8 is inhibited. Apoptotic pathways are known to be tightly regulated by post-translational modifications, especially by ubiquitination. This review discusses research on ubiquitination-mediated regulation of apoptotic signalling. Additionally, the emerging importance of ubiquitination in regulating necroptosis is discussed.
Sea-ice derived meltwater stratification slows the biological carbon pump: results from continuous observations
Authors: von Appen Wilken-Jon , Waite Anya M. , Bergmann Melanie , Bienhold Christina , Boebel Olaf , Bracher Astrid , Cisewski Boris , Hagemann Jonas , Hoppema Mario , Iversen Morten H. , Konrad Christian , Krumpen Thomas , Lochthofen Normen , Metfies Katja , Niehoff Barbara , Nöthig Eva-Maria , Purser Autun , Salter Ian , Schaber Matthias , Scholz Daniel , Soltwedel Thomas , Torres-Valdes Sinhue , Wekerle Claudia , Wenzhöfer Frank , Wietz Matthias , Boetius Antje
Published: December 2021

The ocean moderates the world’s climate through absorption of heat and carbon, but how much carbon the ocean will continue to absorb remains unknown. The North Atlantic Ocean west (Baffin Bay/Labrador Sea) and east (Fram Strait/Greenland Sea) of Greenland features the most intense absorption of anthropogenic carbon globally; the biological carbon pump (BCP) contributes substantially. As Arctic sea-ice melts, the BCP changes, impacting global climate and other critical ocean attributes (e.g. biodiversity). Full understanding requires year-round observations across a range of ice conditions. Here we present such observations: autonomously collected Eulerian continuous 24-month time-series in Fram Strait. We show that, compared to ice-unaffected conditions, sea-ice derived meltwater stratification slows the BCP by 4 months, a shift from an export to a retention system, with measurable impacts on benthic communities. This has implications for ecosystem dynamics in the future warmer Arctic where the seasonal ice zone is expected to expand.
Artificial intelligence-aided clinical annotation of a large multi-cancer genomic dataset
Authors: Kehl Kenneth L. , Xu Wenxin , Gusev Alexander , Bakouny Ziad , Choueiri Toni K. , Riaz Irbaz Bin , Elmarakeby Haitham , Van Allen Eliezer M. , Schrag Deborah
Published: December 2021

To accelerate cancer research that correlates biomarkers with clinical endpoints, methods are needed to ascertain outcomes from electronic health records at scale. Here, we train deep natural language processing (NLP) models to extract outcomes for participants with any of 7 solid tumors in a precision oncology study. Outcomes are extracted from 305,151 imaging reports for 13,130 patients and 233,517 oncologist notes for 13,511 patients, including patients with 6 additional cancer types. NLP models recapitulate outcome annotation from these documents, including the presence of cancer, progression/worsening, response/improvement, and metastases, with excellent discrimination (AUROC > 0.90). Models generalize to cancers excluded from training and yield outcomes correlated with survival. Among patients receiving checkpoint inhibitors, we confirm that high tumor mutation burden is associated with superior progression-free survival ascertained using NLP. Here, we show that deep NLP can accelerate annotation of molecular cancer datasets with clinically meaningful endpoints to facilitate discovery.
Destructiveness of pyroclastic surges controlled by turbulent fluctuations
Authors: Brosch Ermanno , Lube Gert , Cerminara Matteo , Esposti-Ongaro Tomaso , Breard Eric C. P. , Dufek Josef , Sovilla Betty , Fullard Luke
Published: December 2021

Pyroclastic surges are lethal hazards from volcanoes that exhibit enormous destructiveness through dynamic pressures of 100–102kPa inside flows capable of obliterating reinforced buildings. However, to date, there are no measurements inside these currents to quantify the dynamics of this important hazard process. Here we show, through large-scale experiments and the first field measurement of pressure inside pyroclastic surges, that dynamic pressure energy is mostly carried by large-scale coherent turbulent structures and gravity waves. These perpetuate as low-frequency high-pressure pulses downcurrent, form maxima in the flow energy spectra and drive a turbulent energy cascade. The pressure maxima exceed mean values, which are traditionally estimated for hazard assessments, manifold. The frequency of the most energetic coherent turbulent structures is bounded by a critical Strouhal number of ~0.3, allowing quantitative predictions. This explains the destructiveness of real-world flows through the development of c. 1–20 successive high-pressure pulses per minute. This discovery, which is also applicable to powder snow avalanches, necessitates a re-evaluation of hazard models that aim to forecast and mitigate volcanic hazard impacts globally.
The economy of chromosomal distances in bacterial gene regulation
Authors: Cakir Eda , Lesne Annick , Hütt Marc-Thorsten
Published: December 2021

In the transcriptional regulatory network (TRN) of a bacterium, the nodes are genes and a directed edge represents the action of a transcription factor (TF), encoded by the source gene, on the target gene. It is a condensed representation of a large number of biological observations and facts. Nonrandom features of the network are structural evidence of requirements for a reliable systemic function. For the bacterium Escherichia coli we here investigate the (Euclidean) distances covered by the edges in the TRN when its nodes are embedded in the real space of the circular chromosome. Our work is motivated by ’wiring economy’ research in Computational Neuroscience and starts from two contradictory hypotheses: (1) TFs are predominantly employed for long-distance regulation, while local regulation is exerted by chromosomal structure, locally coordinated by the action of structural proteins. Hence long distances should often occur. (2) A large distance between the regulator gene and its target requires a higher expression level of the regulator gene due to longer reaching times and ensuing increased degradation (proteolysis) of the TF and hence will be evolutionarily reduced. Our analysis supports the latter hypothesis.
Fractional Chern insulators in magic-angle twisted bilayer graphene
Authors: Xie Yonglong , Pierce Andrew T. , Park Jeong Min , Parker Daniel E. , Khalaf Eslam , Ledwith Patrick , Cao Yuan , Lee Seung Hwan , Chen Shaowen , Forrester Patrick R. , Watanabe Kenji , Taniguchi Takashi , Vishwanath Ashvin , Jarillo-Herrero Pablo , Yacoby Amir
Published: December 2021

Fractional Chern insulators (FCIs) are lattice analogues of fractional quantum Hall states that may provide a new avenue towards manipulating non-Abelian excitations. Early theoretical studies1–7have predicted their existence in systems with flat Chern bands and highlighted the critical role of a particular quantum geometry. However, FCI states have been observed only in Bernal-stacked bilayer graphene (BLG) aligned with hexagonal boron nitride (hBN)8, in which a very large magnetic field is responsible for the existence of the Chern bands, precluding the realization of FCIs at zero field. By contrast, magic-angle twisted BLG9–12supports flat Chern bands at zero magnetic field13–17, and therefore offers a promising route towards stabilizing zero-field FCIs. Here we report the observation of eight FCI states at low magnetic field in magic-angle twisted BLG enabled by high-resolution local compressibility measurements. The first of these states emerge at 5 T, and their appearance is accompanied by the simultaneous disappearance of nearby topologically trivial charge density wave states. We demonstrate that, unlike the case of the BLG/hBN platform, the principal role of the weak magnetic field is merely to redistribute the Berry curvature of the native Chern bands and thereby realize a quantum geometry favourable for the emergence of FCIs. Our findings strongly suggest that FCIs may be realized at zero magnetic field and pave the way for the exploration and manipulation of anyonic excitations in flat moiré Chern bands.
Tritiation of aryl thianthrenium salts with a molecular palladium catalyst
Authors: Zhao Da , Petzold Roland , Yan Jiyao , Muri Dieter , Ritter Tobias
Published: December 2021

Tritium labelling is a critical tool for investigating the pharmacokinetic and pharmacodynamic properties of drugs, autoradiography, receptor binding and receptor occupancy studies1. Tritium gas is the preferred source of tritium for the preparation of labelled molecules because it is available in high isotopic purity2. The introduction of tritium labels from tritium gas is commonly achieved by heterogeneous transition-metal-catalysed tritiation of aryl (pseudo)halides. However, heterogeneous catalysts such as palladium supported on carbon operate through a reaction mechanism that also results in the reduction of other functional groups that are prominently featured in pharmaceuticals3. Homogeneous palladium catalysts can react chemoselectively with aryl (pseudo)halides but have not been used for hydrogenolysis reactions because, after required oxidative addition, they cannot split dihydrogen4. Here we report a homogenous hydrogenolysis reaction with a well defined, molecular palladium catalyst. We show how the thianthrene leaving group—which can be introduced selectively into pharmaceuticals by late-stage C–H functionalization5—differs in its coordinating ability to relevant palladium(II) catalysts from conventional leaving groups to enable the previously unrealized catalysis with dihydrogen. This distinct reactivity combined with the chemoselectivity of a well defined molecular palladium catalyst enables the tritiation of small-molecule pharmaceuticals that contain functionality that may otherwise not be tolerated by heterogeneous catalysts. The tritiation reaction does not require an inert atmosphere or dry conditions and is therefore practical and robust to execute, and could have an immediate impact in the discovery and development of pharmaceuticals.
Direct limits for scalar field dark matter from a gravitational-wave detector
Authors: Vermeulen Sander M. , Relton Philip , Grote Hartmut , Raymond Vivien , Affeldt Christoph , Bergamin Fabio , Bisht Aparna , Brinkmann Marc , Danzmann Karsten , Doravari Suresh , Kringel Volker , Lough James , Lück Harald , Mehmet Moritz , Mukund Nikhil , Nadji Séverin , Schreiber Emil , Sorazu Borja , Strain Kenneth A. , Vahlbruch Henning , Weinert Michael , Willke Benno , Wittel Holger
Published: December 2021

The nature of dark matter remains unknown to date, although several candidate particles are being considered in a dynamically changing research landscape1. Scalar field dark matter is a prominent option that is being explored with precision instruments, such as atomic clocks and optical cavities2–8. Here we describe a direct search for scalar field dark matter using a gravitational-wave detector, which operates beyond the quantum shot-noise limit. We set new upper limits on the coupling constants of scalar field dark matter as a function of its mass, by excluding the presence of signals that would be produced through the direct coupling of this dark matter to the beam splitter of the GEO600 interferometer. These constraints improve on bounds from previous direct searches by more than six orders of magnitude and are, in some cases, more stringent than limits obtained in tests of the equivalence principle by up to four orders of magnitude. Our work demonstrates that scalar field dark matter can be investigated or constrained with direct searches using gravitational-wave detectors and highlights the potential of quantum-enhanced interferometry for dark matter detection.
Environmental contaminants and the disproportionate prevalence of type-2 diabetes mellitus among Indigenous Cree women in James Bay Quebec, Canada
Authors: Zuk Aleksandra , Liberda Eric N. , Tsuji Leonard J. S.
Published: December 2021

Indigenous populations are disproportionately affected by type 2 diabetes (T2DM) compared to non-Indigenous people. Of importance, the prevalence of T2DM is greater amongst females than males in First Nations communities, in contrast to higher male prevalence reported in non-Indigenous Canadians. Therefore, in this study we extend our previously published work with respect to females, and the potential association between environmental exposures to organochlorine pesticides, such as dichlorodiphenyltrichloroethane (DDT), and dichlorodiphenyldichloroethylene (DDE) to explain the greater prevalence of T2DM among Indigenous females compared to males. Using data from the Multi-Community Environment-and-Health Study, Principal Component Analysis (PCA), examined 9-polychlorinated biphenyl congeners, 7-organic pesticides, and 4-metal/metalloids. Modified Poisson regression with robust error variance estimated adjusted prevalence ratios (PR) and corresponding 95% confidence intervals (95% CI), regressing prevalent T2DM on the newly derived principal components (PC), adjusting for a priori covariates, including parity. We further examined the relationship between high detection concentrations of DDT and tertials of categorized DDE exposures on T2DM among Indigenous Cree women. Among 419 female participants, 23% (n = 95) had physician-diagnosed T2DM. PCA analysis show that DDT and Lead (Pb) loaded highly on the second axis (PC-2), although in opposite directions, indicating the different exposure sources. As previously published, T2DM was significantly associated with PC-2 across adjusted models, however, after further adjusting for parity in this analysis, T2DM was no longer significantly associated with increasing PC-2 scores (PR = 0.88, 95% 0.76, 1.03). Furthermore, we found that the highest detectable levels of DDT, and tertiles of DDE were significantly associated with prevalent T2DM in the fully adjusted model (PR = 1.93, 1.17, 3.19), and (PR = 3.58, 1.10, 11.70), respectively. This cross-sectional analysis suggests organochlorines, specifically, detectable high exposure concentrations of DDT and DDE are associated with prevalent type 2 diabetes, signifying a possible important link between parity and environmental organochlorines pesticides among Indigenous Cree women.
Changes in metabolic syndrome and risk of psoriasis: a nationwide population-based study
Authors: Lee Hyun Ji , Han Kyung Do , Park Hae Eun , Han Ju Hee , Bang Chul Hwan , Park Young Min , Lee Ji Hyun
Published: December 2021

Metabolic syndrome (MetS) is associated with psoriasis, but it remains unclear whether risk of psoriasis remains in patients whose MetS diagnosis changes. To assess the relationship between risk of psoriasis and changes in MetS components. We obtained data from the National Health Insurance Service of Korea and divided the participants into four groups: individuals without MetS (control); individuals with MetS in 2009, but without MetS in 2012 (pre-MetS); individuals without MetS in 2009, but with newly diagnosed MetS in 2012 (post-MetS); and individuals with MetS during the 2009–2012, period (continuous-MetS). We calculated the risk of psoriasis for each group. Risk of psoriasis was similar in the control and pre-MetS groups but was significantly higher in the post-MetS group (hazard ratio [HR], 1.08; 95% confidence interval [CI], 1.04–1.12) and in the continuous-MetS group (HR, 1.11; 95% CI, 1.07–1.15) than in the control group. Among MetS components, waist circumference showed the strongest association with psoriasis, followed by high-density lipoprotein and triglyceride levels. Risk of psoriasis was higher in patients with continuous- or post-MetS than in those with pre-MetS (regardless of prior MetS status).
SARS-CoV-2 infection reduces human nasopharyngeal commensal microbiome with inclusion of pathobionts
Authors: Hoque M. Nazmul , Sarkar Md. Murshed Hasan , Rahman M. Shaminur , Akter Shahina , Banu Tanjina Akhtar , Goswami Barna , Jahan Iffat , Hossain M. Saddam , Shamsuzzaman A. K. Mohammad , Nafisa Tasnim , Molla M. Maruf Ahmed , Yeasmin Mahmuda , Ghosh Asish Kumar , Osman Eshrar , Alam S. K. Saiful , Uzzaman Mohammad Samir , Habib Md Ahashan , Mahmud Abu Sayeed Mohammad , Crandall Keith A. , Islam Tofazzal , Khan Md. Salim
Published: December 2021

The microbiota of the nasopharyngeal tract (NT) play a role in host immunity against respiratory infectious diseases. However, scant information is available on interactions of SARS-CoV-2 with the nasopharyngeal microbiome. This study characterizes the effects of SARS-CoV-2 infection on human nasopharyngeal microbiomes and their relevant metabolic functions. Twenty-two (n = 22) nasopharyngeal swab samples (including COVID-19 patients = 8, recovered humans = 7, and healthy people = 7) were collected, and underwent to RNAseq-based metagenomic investigation. Our RNAseq data mapped to 2281 bacterial species (including 1477, 919 and 676 in healthy, COVID-19 and recovered metagenomes, respectively) indicating a distinct microbiome dysbiosis. The COVID-19 and recovered samples included 67% and 77% opportunistic bacterial species, respectively compared to healthy controls. Notably, 79% commensal bacterial species found in healthy controls were not detected in COVID-19 and recovered people. Similar dysbiosis was also found in viral and archaeal fraction of the nasopharyngeal microbiomes. We also detected several altered metabolic pathways and functional genes in the progression and pathophysiology of COVID-19. The nasopharyngeal microbiome dysbiosis and their genomic features determined by our RNAseq analyses shed light on early interactions of SARS-CoV-2 with the nasopharyngeal resident microbiota that might be helpful for developing microbiome-based diagnostics and therapeutics for this novel pandemic disease.
Research on expansion and classification of imbalanced data based on SMOTE algorithm
Authors: Wang Shujuan , Dai Yuntao , Shen Jihong , Xuan Jingxue
Published: December 2021

With the development of artificial intelligence, big data classification technology provides the advantageous help for the medicine auxiliary diagnosis research. While due to the different conditions in the different sample collection, the medical big data is often imbalanced. The class-imbalance problem has been reported as a serious obstacle to the classification performance of many standard learning algorithms. SMOTE algorithm could be used to generate sample points randomly to improve imbalance rate, but its application is affected by the marginalization generation and blindness of parameter selection. Focusing on this problem, an improved SMOTE algorithm based on Normal distribution is proposed in this paper, so that the new sample points are distributed closer to the center of the minority sample with a higher probability to avoid the marginalization of the expanded data. Experiments show that the classification effect is better when use proposed algorithm to expand the imbalanced dataset of Pima, WDBC, WPBC, Ionosphere and Breast-cancer-wisconsin than the original SMOTE algorithm. In addition, the parameter selection of the proposed algorithm is analyzed and it is found that the classification effect is the best when the distribution characteristics of the original data was maintained best by selecting appropriate parameters in our designed experiments.
Genomic analyses of human adenoviruses unravel novel recombinant genotypes associated with severe infections in pediatric patients
Authors: Akello Joyce Odeke , Kamgang Richard , Barbani Maria Teresa , Suter-Riniker Franziska , Aebi Christoph , Beuret Christian , Paris Daniel H. , Leib Stephen L. , Ramette Alban
Published: December 2021

Human adenoviruses (HAdVs) are highly contagious pathogens of clinical importance, especially among the pediatric population. Studies on comparative viral genomic analysis of cases associated with severe and mild infections due to HAdV are limited. Using whole-genome sequencing (WGS), we investigated whether there were any differences between circulating HAdV strains associated with severe infections (meningitis, sepsis, convulsion, sudden infant death syndrome, death, and hospitalization) and mild clinical presentations in pediatric patients hospitalized between the years 1998 and 2017 in a tertiary care hospital group in Bern, Switzerland covering a population base of approx. 2 million inhabitants. The HAdV species implicated in causing severe infections in this study included HAdV species C genotypes (HAdV1, HAdV2, and HAdV5). Clustering of the HAdV whole-genome sequences of the severe and mild cases did not show any differences except for one sample (isolated from a patient presenting with sepsis, meningitis, and hospitalization) that formed its own cluster with HAdV species C genotypes. This isolate showed intertypic recombination events involving four genotypes, had the highest homology to HAdV89 at complete genome level, but possessed the fiber gene of HAdV1, thereby representing a novel genotype of HAdV species C. The incidence of potential recombination events was higher in severe cases than in mild cases. Our findings confirm that recombination among HAdVs is important for molecular evolution and emergence of new strains. Therefore, further research on HAdVs, particularly among susceptible groups, is needed and continuous surveillance is required for public health preparedness including outbreak investigations.
The Use of Uniform PEG Compounds in the Design of ADCs
Authors: Giese M. W. , Woodman R. H. , Hermanson G. T. , Davis P. D.
Published: December 2021

Uniform polyethylene glycol (PEG) linkers and spacers have proven to be critical components for modifying and mediating the properties of antibody–drug conjugates (ADCs). These short, flexible, amphiphilic compounds lack polymeric dispersity and can be used and analyzed like highly pure small molecules. This chapter closely examines how these linkers and spacers are used in the construction of antibody–drug conjugates and how they affect their physicochemical, pharmacodynamic, and pharmacokinetic properties. Hypotheses are offered to explain how PEG linkers affect these properties. Suggestions for future ADC applications are extrapolated from current applications and other available evidence.
Revealing the catalytic pathway of a quinone-mediated oxygen reduction reaction in aprotic Li–O2 batteries
Authors: Wu Sisi , Qin Ning , Zhang Hang , Wei Chuanwan , Wang Zhiqiang , Luo Wen , Li Yingzhi , Wang Haiou , Zhang Kaili , Wang Qing , Lu Zhouguang
Published: December 2021

We disclosed a promoted solution reaction route using a quinone derivative as a redox mediator based on electron paramagnetic resonance (EPR) studies.
Enzyme-like catalysis by single chain nanoparticles that use transition metal cofactors
Authors: Xiong Thao M. , Garcia Edzna S. , Chen Junfeng , Zhu Lingyang , Alzona Ariale J. , Zimmerman Steven C.
Published: December 2021

A modular plug and play approach to catalytic single chain nanoparticles inspired by enzyme cofactors.
Size-tunable fluorescent dendrimersomes via aggregation-induced emission
Authors: Bélanger-Bouliga Marilyne , Andrade-Gagnon Brandon , Thi Hong Nguyen Diep , Nazemi Ali
Published: December 2021

Amphiphilic Janus dendrimers with aggregation-induced emission property undergo self-assembly to yield emissive dendrimersomes of tunable sizes and quantum yields.
Palladium-catalyzed oxidative C–H/C–H cross-coupling of pyrazolo[1,5-a]azines with five-membered heteroarenes
Authors: Nguyen Thanh V. Q. , Poli Lorenzo , Garrison Aaron T.
Published: December 2021

The use of Pd(OAc)2 catalyst and AgOAc oxidant enabled the direct regioselective oxidative C–H/C–H cross-coupling of pyrazolo[1,5-a]azineswith various five-membered heteroarenes without the need of pre-activation and/or directing groups.
Electron transitions in a Ce(iii)-catecholate metal–organic framework
Authors: Knapp Julia G. , Ray Debmalya , Calio Paul B. , Wasson Megan C. , Scott Thais R. , Gagliardi Laura , Farha Omar K.
Published: December 2021

Competitive electron transitions are present in a rare three-dimensional Ce(iii)-catecholate metal–organic framework.
Organoarsenic probes to study proteins by NMR spectroscopy
Authors: Mahawaththa Mithun C. , Orton Henry W. , Adekoya Ibidolapo , Huber Thomas , Otting Gottfried , Nitsche Christoph
Published: December 2021

The first organoarsenic probes for nuclear magnetic resonance spectroscopy are reported, allowing the study of proteins in solutions with high sensitivity.
Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids
Authors: Bi Hao-Xue , Yin Xiao-Yu , Zhang Xiu-Juan , Ma Yuan-Yuan , Han Zhan-Gang
Published: December 2021

Four conjugated-organic-species modified hourglass-type phosphomolybdate hybrids with a 0-D + 1-D → 3-D supramolecular structure exhibited favorable photocatalytic activity and stability towards Cr(vi) reduction.
Effects of pressure on the phase transformations and mechanical properties of 10 mol% Mg-PSZ sintered by HPHT
Authors: Wang Jian , Wang Zhiwen , Wang Yongkui , Ma Hongan , Fang Shuai , Chen Qi , Wang Yao , Wang Chunxiao , Chen Liangchao , Jia Xiaopeng
Published: December 2021

MgO (10 mol%)-stabilized zirconia ceramics were obtained using high-pressure high-temperature (HPHT) sintering.
Electrochemistry meets polymer physics: polymerized ionic liquids on an electrified electrode
Authors: Budkov Yury A. , Kalikin Nikolai N. , Kolesnikov Andrei L.
Published: December 2021

Polymeric ionic liquids are emerging polyelectrolyte materials for modern electrochemical applications.
Evidence for surface effects on the intermolecular interactions in Fe(ii) spin crossover coordination polymers
Authors: Ekanayaka Thilini K. , Kurz Hannah , McElveen Kayleigh A. , Hao Guanhua , Mishra Esha , N’Diaye Alpha T. , Lai Rebecca Y. , Weber Birgit , Dowben Peter A.
Published: December 2021

From X-ray absorption spectroscopy (XAS) and X-ray photoemission spectroscopy (XPS) it is evident that the spin state transition behavior of Fe(ii) spin crossover coordination polymer crystallites at the surface differs from the bulk.
Impact of substitution on reactions and stability of one-electron oxidised phenyl sulfonates in aqueous solution
Authors: Nemeth Tamas , de Wild Tym , Gubler Lorenz , Nauser Thomas
Published: December 2021

Functional groups can be used to modify the equilibrium position and tune the reactivity of one electron oxidised aromatic compounds.
N-Acetylglucosamine as a platform chemical produced from renewable resources: opportunity, challenge, and future prospects
Authors: Cao Shuling , Liu Yuxi , Shi Linming , Zhu Wanbin , Wang Hongliang
Published: December 2021

This review paper provides a comprehensive summary and perspective of the latest cutting-edge innovations on biomass conversion to GlcNAc.
Removal of CO2from high-temperature flue gas using PDMS/IL composite membranes
Authors: Wu Mian , Li Xuehua , Li Xiaobing
Published: December 2021

The physical-crosslinking interaction between PDMS and an IL enables the membrane to separate CO2from high-temperature flue gas.
High proton conductivity in a charge carrier-induced Ni(ii) metal–organic framework
Authors: Chakraborty Debabrata , Ghorai Arijit , Bhanja Piyali , Banerjee Susanta , Bhaumik Asim
Published: December 2021

A new tetradentate phosphonate ligand-based Ni-MOF has been synthesized and employed as an efficient proton-conducting material upon doping with sulphuric acid.
Synthesis and characterization of a uranium oxide hydrate framework with Sr(ii) ions: structural insights and mixed uranium valences
Authors: Lu Kimbal T. , Zhang Yingjie , Wei Tao , Ablott Timothy A. , Nguyen Thanh Ha , Zheng Rongkun
Published: December 2021

A uranium oxide hydrate framework with Sr(ii) ions was synthesized hydrothermally and characterized.
Synthesis of a CoO–ZnO photocatalyst for enhanced visible-light assisted photodegradation of methylene blue
Authors: Saeed Muhammad , Khan Iltaf , Adeel Muhammad , Akram Nadia , Muneer Majid
Published: December 2021

Mechanism of photodegradation of methylene blue over CoO–ZnO photocatalyst.
Persistent luminescence nanoparticles functionalized by polymers bearing phosphonic acid anchors: synthesis, characterization, and in vivo behaviour
Authors: Lécuyer Thomas , Bia Nicolas , Burckel Pierre , Loubat Cédric , Graillot Alain , Seguin Johanne , Corvis Yohann , Liu Jianhua , Valéro Lucie , Scherman Daniel , Mignet Nathalie , Richard Cyrille
Published: December 2021

Optical in vivo imaging has become a widely used technique and is still under development for clinical diagnostics and treatment applications.
Photoinduced organocatalyzed controlled radical polymerization feasible over a wide range of wavelengths
Authors: Li Qiuyu , Lu Zhen , Yang Hongjie , Cai Jingyu , Yin Xiangyu , Zhao Yulai , Xiao Longqiang , Hou Linxi
Published: December 2021

We successfully synthesized a catalyst with a wide absorption range (300–1000 nm) for controlled radical polymerization of PEGMA in aqueous solution and MMA in bulk under the irradiation of white, blue, green, red, and NIR LED light, and sunlight.
Recyclable silicone elastic light-triggered actuator with a reconfigurable Janus structure and self-healable performance
Authors: Xu Xiaowei , Hao Xinyue , Hu Jing , Gao Weisheng , Ning Nanying , Yu Bing , Zhang Liqun , Tian Ming
Published: December 2021

A recyclable silicone elastic light-triggered actuator with reconfigurable Janus structure and self-healable performance is reported, which was fabricated via heterogeneous crosslinking induced by a gradient intensity of UV light due to CNTs accretion.
Co@C,MnO-NAC via selective wrapping for effective oxygen electrocatalysis in rechargeable Zn–air batteries
Authors: Zhou Wenshu , Liu Yanyan , Wu Dichao , Zhang Pengxiang , Zhang Gaoyue , Sun Kang , Li Baojun , Jiang Jianchun
Published: December 2021

By using the wood of paper mulberry as raw material, Co and MnO hetero-nanoparticles was in situ immobilized onto N-doped hierarchical activated carbon (Co@C,MnO-NAC) as ORR/OER bifunctional catalyst for rechargeable Zn–air batteries (RZABs).
Possible ternary fission of super-heavy nuclei
Authors: Wada Takahiro , Okada Kazuki , Carjan Nicolae , Ivanyuk Fedir
Published: December 2021

In super-heavy nuclei, we may expect to discover new phenomena because of the strong Coulomb force. One example is the true ternary fission. We study the sequential two binary fission of 300120 and 252Cf that produces three fragments. We use the Metropolis method to estimate the probability of the second fission. The probability of the second fission is 10−4-10−3 for superheavy nuclei while it is 10−7−10−6 for heavy actinide nuclei. The most probable mass division is almost symmetric in the case of 300120. We also demonstrate the applicability of the Metropolis method to a non-equilibrium process by comparing it with the Langevin equation.
An approach to assessing the possibility of diversifying the regional economy taking into account innovation activity
Authors: Afanasiev Mikhail , Kudrov Aleksander , Lysenkova Maria
Published: December 2021

An approach to assessing the possibility of diversifying the regional economy is presented on the basis of the author’s methodology for formation of recommendations for development of regions and sectors. The approach is based on regression analysis using an extended economic basis, including the characteristics of regional differentiation and innovative activity. On this basis, sectors can be identified, the development of which depends on the innovative activity of the regions. The estimates obtained make it possible to judge the influence of the characteristics of regional differentiation and innovative activity on development of such sectors. It is shown that innovative activity can contribute to diversification, if the region has a relatively high level of economic development. As a result of approbation of the offered approach, 20 sectors were identified, the production volume of which depends on the innovative activity of the regions aimed at creating international patent applications. It is shown that for each sector, the development of which depends on innovative activity, regions can be identified, where the growth of innovative activity can be accompanied by an increase in the volume of production of this sector and its appearance as a strong one. For the CONSTRUCTION sector, considered as an example, 17 regions have been identified that are priority for development of this sector and its transformation into a strong one.
The mechism of managning the investment attractiveness of regional tourism
Authors: Glotko Andrey , Nyurenberger Larisa , Petrenko Nikita , Shetinina Natalia
Published: December 2021

The article discribes the development of the management system of increasing the investment attractiveness of the regional tourism. In accordance with this objective, the authors have defined the concept of investment attractiveness in the tourism sector. Factors and conditions of the investment attractiveness of the region were determined. The authors considered methodological approaches to the development of the management system of increasing the investment attractiveness of the region. The indicators of investment attractiveness assessment have been studied. The process of managing the investment attractiveness of tourism in mountainous territories has been analyzed. Recommendations have been developed to improve the efficiency of managing the investment attractiveness of the tourism sector in the region.
Methodology for assessing the relative tourist attractiveness of the region
Authors: Yakimova Ekaterina , Rusina Anastasiya , Karpycheva Olga
Published: December 2021

Assessment of the tourist attractiveness of a territory is an important analytical area in terms of identifying opportunities for development of regional tourism, as one of the most significant and promising sectors of the economy. This can be the basis for development of appropriate strategic regional programs. The existing scientific discussion in this area has contributed to emergence of a number of methodological approaches that can be used in practice. However, their critical analysis revealed a number of provisions, the improvement of which will make it possible to obtain more objective and relevant results, reflecting the possibility of the destination becoming an object of attraction for tourists. Firstly, the lack of a clear distinction between the categories of “tourist potential”, which reflects the objective state of the resources of the territory, and “tourist attractiveness”, which includes the estimated component of available resources from the perspective of a consumer of tourist services. This leads to the fact that the principle of the subjectivity of the assessment is practically not implemented, thus the possibility of focusing on market demands is not fully used, which implies use of segmentation and positioning tools. Secondly, the results obtained using the methods offered by the scientific community are often distorted by the subjective perception of the researcher, which is associated with use of a large volume of expert assessments. Thirdly, from our point of view, the number of estimated variables, the number of which may approach 100, is not always justified. This, on the one hand, reduces the degree of influence of each of them on the result, and, therefore, the significance, and on the other hand, makes it difficult for the analyst to collect the necessary information. Therefore, the purpose of this study is to develop a methodology that eliminates these disadvantages. The offered author’s development includes objective indicators that do not require involvement of experts in their assessment. The number of these indicators is limited and systematized by groups, in accordance with modern market demands: directly attracting tourists, ensuring the quality of stay and ensuring the availability of the territory. The relative form of the offered metrics shows the degree of difference in the selected variables of some territories in comparison with others, which in the future will make it possible to orient the tourism development in the region to target audiences whose needs can be satisfied by the resources available at the destination.
Regulatory and institutional mechanism for the implementation of the goals of sustainable development of the region
Authors: Alferova Tatiana
Published: December 2021

The mechanism for ensuring sustainable development of regions should be carried out according to the principle of localization, according to which seventeen global development goals are initially detailed in the national context, and then reflected in regional projects and programs. Currently, there is an imbalance in global, national and regional instruments for achieving sustainable development, which requires clarification of the reasons for the current situation. The achievement of the SDGs in the regions is usually implemented by the program-targeted method, which allows directing specific resources to solving specific development issues. Management is concentrated in the relevant structures that consider the specifics of the problems and the essence of the mechanisms for implementing planned activities. However, there is no link between program targets, national sustainable development targets and global SDGs. There is also a duplication of some indicators in different programs and the intersection of a number of areas of socio-economic development of the region. The programs are designed for different periods of implementation, but do not take into account the cause-and-effect chains of desirable / undesirable effects, they are not linked to each other in terms of the totality of program activities, and do not engage synergy effects. This task requires a comprehensive solution with the accumulated experience at the country level by adapting existing and developing new methods for modeling the socio-ecological-economic systems of the regions.
Protest activity of youth in Yekaterinburg in 2017-2021: cases and determining factors
Authors: Vatoropin Alexander , Vatoropin Sergey , Chevtaeva Natalya
Published: December 2021

The article examines the political and social protest activity of Yekaterinburg youth in 2017-2021. The protest performances of youth in the framework of all-Russian protest actions and actions, conditioned by the local socio-political agenda, are analyzed. The external and internal factors of activating the protest potential of youth and its transformation into street actions are characterized. Based on the analysis of resonant cases and a secondary analysis of the results of sociological research conducted among the youth of Yekaterinburg in 2017-2021, the most significant factors in activating the protest potential are identified. The conclusion is made about the formation of a certain political culture in the youth urban environment while maintaining predominantly passive (conventional) forms of protest activity, primarily on the Internet.
Peculiarities of development the world coal industry in the process of active decarbonization in the world’s economy
Authors: Prosekov Aleksandr , Rada Artem
Published: December 2021

Launch of the process of decarbonization of the economy and ratification of the Paris Climate Agreements in 2015-2016 puts the world’s coal industry in a difficult position. The purpose of the study is to identify the features of the development of the global coal industry, including regional ones, in anticipation of the active decarbonization of the world economy. For this, a quantitative analysis of the dynamics and structure of world coal production in 2010-2020 was carried out. As a result, it was revealed that the impact of the 2020 crisis did not become decisive for production. It can be compared to a price shock or the start of implementation of the Paris Climate Agreements. Some of the dynamics of the global coal production indicator is characterized by a weak declining trend (about minus 0.05% per year), although this indicator is generally unstable. The dynamics of coal production is characterized by the absence of an internal trend of self-development; autocorrelation is observed. The dynamics of coal production reacts to external shocks, while the regional differentiation of this indicator is growing. For 2010-2020 the share of North America and Europe fell to 13%, and the Asia-Pacific region – increased to 75%. Most developed countries are striving to reduce the production and consumption of coal (in the USA, Germany, Poland – by 25-50%), but many developing countries (India, Indonesia, Vietnam, Mongolia) are rapidly increasing production (by 30-70%). This is due to the possibility of exporting and using relatively cheap local fuel for economic development. Therefore, in the medium term, global coal production will remain stable with growing regional differentiation.
Exogenous relief-forming processes and phenomena on the territory of the Chechen Republic
Authors: Gakaev Rustam
Published: December 2021

Landslide, also known as landslide, is a geological phenomenon that includes a wide range of ground movements such as rockfalls, deep slope collapse and shallow mudflows. Landslides can occur at sea, on the coast and on land. While gravity is the main driving force behind a landslide, there are other factors that affect the initial stability of the slope. Typically, preconditions create certain subsurface conditions that make the site / slope prone to collapse, while the actual landslide often requires a trigger before being triggered. Landslide studies help identify weak areas, classify hillsides into different categories, and minimize the impact of landslides.
Influence of the oil industry on anthropogenic changes in natural landscapes
Authors: Akhmiyeva Roza
Published: December 2021

Like most industrial enterprises, the oil industry can have an impact on the environment at several stages. The greatest impact is exerted by the release of waste into the environment in unnatural concentrations. In almost all cases, adverse impacts can be minimized or eliminated by implementing an appropriate waste management plan. In the past few years, the oil industry has been paying more attention to minimizing the environmental impact of its activities at all major stages of the life cycle of a hydrocarbon reservoir: from appraisal to field development, from production and production to decommissioning. As a consequence, the oil industry faces significant technical challenges, with great interest and anticipation in emerging technologies such as nanotechnology and alternative solutions such as underground CO2 storage.
Species diversity of the Anatidae family as an indicator of sustainable development of territories (on the example of reservoirs of the Ulagan Plateau (Eastern Altai)
Authors: Konunova A.N. , Safonova O.V. , Vozniychuk O.P.
Published: December 2021

The article presents the results of ornithological studies carried out on the Ulagan plateau (Eastern Altai) due to increasing anthropogenic influence. This paper presents a species overview and features of the nesting biology of some species of the Anatidae Family. Considerable attention is paid to the features of spring arrivals, the course of nesting processes, spring and autumn migrations. The paper analyzes data on egg laying and nesting dates. This process includes such periods as: the beginning of oviposition, the period of mass oviposition and the latest ovipositions, the dates of the meetings of downy jackets, flaps, the dates of flights and the beginning of accumulations in preparation for long-distance migration are described. In the territory of the Altai Republic, this problem has been little studied and requires further research.
Identification and assessment of direct and indirect economic effects of the sports sector on the economy
Authors: Kramin Timur , Miftakhov Marsel , Manushin Dmitry
Published: December 2021

The sports sector makes a significant multilateral contribution to the development of economic systems. This study examines the scale and structure of the impact of the sports sector on the economy. Direct and indirect effects of such an impact are highlighted. The significance of the indirect socio-economic effects of major sporting events is illustrated by the example of the 2013 Universiade project in Kazan. On the basis of empirical data, the growth of sports activity of the population of the Republic of Tatarstan during the Universiade is shown. Using previously obtained econometric models on the indirect effects of the growth of the sports activity of the population, the indirect socio-economic effects of the Universiade were estimated: the infrastructural effect, a decrease in health care costs, an increase in labor productivity, additional income from tourism, and the creation of additional social capital. An extended model for assessing the payback of large sporting events, including investments in the infrastructure capital of the region and a number of intangible assets, is proposed and tested.