bluuebunny/crossref_metadata_2025 huggingface dataset:
Alterations in metal homeostasis occur prior to canonical markers in Huntington disease
Authors: Pfalzer Anna C. , Yan Yan , Kang Hakmook , Totten Melissa , Silverman James , Bowman Aaron B. , Erikson Keith , Claassen Daniel O.
Published: June 2022

The importance of metal biology in neurodegenerative diseases such as Huntingtin Disease is well documented with evidence of direct interactions between metals such as copper, zinc, iron and manganese and mutant Huntingtin pathobiology. To date, it is unclear whether these interactions are observed in humans, how this impacts other metals, and how mutant Huntington alters homeostatic mechanisms governing levels of copper, zinc, iron and manganese in cerebrospinal fluid and blood in HD patients. Plasma and cerebrospinal fluid from control, pre-manifest, manifest and late manifest HD participants were collected as part of HD-Clarity. Levels of cerebrospinal fluid and plasma copper, zinc, iron and manganese were measured as well as levels of mutant Huntingtin and neurofilament in a sub-set of cerebrospinal fluid samples. We find that elevations in cerebrospinal fluid copper, manganese and zinc levels are altered early in disease prior to alterations in canonical biomarkers of HD although these changes are not present in plasma. We also evidence that CSF iron is elevated in manifest patients. The relationships between plasma and cerebrospinal fluid metal are altered based on disease stage. These findings demonstrate that there are alterations in metal biology selectively in the CSF which occur prior to changes in known canonical biomarkers of disease. Our work indicates that there are pathological changes related to alterations in metal biology in individuals without elevations in neurofilament and mutant Huntingtin.
Novel smart window using photonic crystal for energy saving
Authors: Zaky Zaky A. , Aly Arafa H.
Published: June 2022

Smart windows are emerging as an effective way of minimizing energy consumption in buildings. They attracted the major relevance for minimizing energy consumption in buildings. More research studies are needed to design smart windows with operating wide range and don’t require additional energy to operate. We suggest a novel smart window structure using photonic crystal to regulate the solar radiation intensity by preventing it from penetrating the buildings in summer. For the first time, the suggested smart window photonic crystal at room temperature is proposed. The suggested smart window can block about 400 nm of near-infrared. This smart window model doesn’t require additional heat or electric input to operate.
An interpretable machine learning approach to identify mechanism of action of antibiotics
Authors: Mongia Mihir , Guler Mustafa , Mohimani Hosein
Published: June 2022

As antibiotic resistance is becoming a major public health problem worldwide, one of the approaches for novel antibiotic discovery is re-purposing drugs available on the market for treating antibiotic resistant bacteria. The main economic advantage of this approach is that since these drugs have already passed all the safety tests, it vastly reduces the overall cost of clinical trials. Recently, several machine learning approaches have been developed for predicting promising antibiotics by training on bioactivity data collected on a set of small molecules. However, these methods report hundreds/thousands of bioactive molecules, and it remains unclear which of these molecules possess a novel mechanism of action. While the cost of high-throughput bioactivity testing has dropped dramatically in recent years, determining the mechanism of action of small molecules remains a costly and time-consuming step, and therefore computational methods for prioritizing molecules with novel mechanisms of action are needed. The existing approaches for predicting bioactivity of small molecules are based on uninterpretable machine learning, and therefore are not capable of determining known mechanism of action of small molecules and prioritizing novel mechanisms. We introduce InterPred, an interpretable technique for predicting bioactivity of small molecules and their mechanism of action. InterPred has the same accuracy as the state of the art in bioactivity prediction, and it enables assigning chemical moieties that are responsible for bioactivity. After analyzing bioactivity data of several thousand molecules against bacterial and fungal pathogens available from Community for Open Antimicrobial Drug Discovery and a US Food and Drug Association-approved drug library, InterPred identified five known links between moieties and mechanism of action.
Transcriptomic and proteomic profiling of peptidase expression in Fasciola hepatica eggs developing at host’s body temperature
Authors: Ilgová Jana , Vorel Jiří , Roudnický Pavel , Škorpíková Lucie , Horn Martin , Kašný Martin
Published: June 2022

Fasciola hepatica is a global parasite of livestock which also causes a neglected zoonosis in humans. The parasite’s communication with the host during its complicated lifecycle is based on an ingenious enzymatic apparatus which includes a variety of peptidases. These enzymes are implicated in parasite migration, pathogenesis of the disease, and modification of host immune response. Although the dynamics of proteolytic machinery produced by intra-mammalian F. hepatica life stages has been previously investigated in great detail, peptidases of the eggs so far received little scientific attention. In this study, we performed a comparative RNA-seq analysis aimed at identification of peptidases expressed in F. hepatica eggs, cultured at 37 °C to represent gall bladder retained eggs, for different time periods and employed mass spectrometry in order to identify and quantify peptidases translated in F. hepatica egg lysates. We demonstrated that F. hepatica eggs undergo significant molecular changes when cultured at the physiological temperature of the definitive host. Egg transcriptome is subject to numerous subtle changes while their proteome is even more variable. The peptidase profile is considerably modified on both transcriptome and proteome level. Finally, we measured and classified proteolytic activities in extracts from F. hepatica eggs using a library of fluorogenic substrates and peptidase class-selective inhibitors. Activities of threonine peptidases were detected constantly, while the cysteine peptidases prevailing in freshly laid eggs are substituted by aspartic peptidase and metallopeptidase activities in the later stages of egg development.
A colorimetric method to measure in vitro nitrogenase functionality for engineering nitrogen fixation
Authors: Payá-Tormo Lucía , Coroian Diana , Martín-Muñoz Silvia , Badalyan Artavazd , Green Robert T. , Veldhuizen Marcel , Jiang Xi , López-Torrejón Gema , Balk Janneke , Seefeldt Lance C. , Burén Stefan , Rubio Luis M.
Published: June 2022

Biological nitrogen fixation (BNF) is the reduction of N2 into NH3 in a group of prokaryotes by an extremely O2-sensitive protein complex called nitrogenase. Transfer of the BNF pathway directly into plants, rather than by association with microorganisms, could generate crops that are less dependent on synthetic nitrogen fertilizers and increase agricultural productivity and sustainability. In the laboratory, nitrogenase activity is commonly determined by measuring ethylene produced from the nitrogenase-dependent reduction of acetylene (ARA) using a gas chromatograph. The ARA is not well suited for analysis of large sample sets nor easily adapted to automated robotic determination of nitrogenase activities. Here, we show that a reduced sulfonated viologen derivative (S2Vred) assay can replace the ARA for simultaneous analysis of isolated nitrogenase proteins using a microplate reader. We used the S2Vred to screen a library of NifH nitrogenase components targeted to mitochondria in yeast. Two NifH proteins presented properties of great interest for engineering of nitrogen fixation in plants, namely NifM independency, to reduce the number of genes to be transferred to the eukaryotic host; and O2 resistance, to expand the half-life of NifH iron-sulfur cluster in a eukaryotic cell. This study established that NifH from Dehalococcoides ethenogenes did not require NifM for solubility, [Fe-S] cluster occupancy or functionality, and that NifH from Geobacter sulfurreducens was more resistant to O2 exposure than the other NifH proteins tested. It demonstrates that nitrogenase components with specific biochemical properties such as a wider range of O2 tolerance exist in Nature, and that their identification should be an area of focus for the engineering of nitrogen-fixing crops.
Population dynamics of synanthropic rodents after a chemical and infrastructural intervention in an urban low-income community
Authors: Awoniyi Adedayo Michael , Venegas-Vargas Cristina , Souza Fabio Neves , Zeppelini Caio Graco , Hacker Kathryn P. , Carvalho-Pereira Ticiana , Marins Catarina Lobo , de Santana Mayara Carvalho , Pertile Arsinoê Cristina , Begon Michael , Ko Albert I. , Diggle Peter J. , Reis Mitermayer G. , Childs James E. , da Silva Eduardo Mendes , Costa Federico , Khalil Hussein
Published: June 2022

Synanthropic rodents are ubiquitous in low-income communities and pose risks for human health, as they are generally resistant to control programs. However, few or no studies have evaluated the long-term effect of chemical and infrastructural interventions on rodent population dynamics, especially in urban low-income communities, or evaluated the potential recovery of their population following interventions. We conducted a longitudinal study in a low-income community in the city of Salvador (BA, Brazil) to characterize the effect of interventions (chemical and infrastructural) on the dynamics of rodent population, and documented the post-intervention recovery of their population. We evaluated the degree of rodent infestation in 117 households/sampling points over three years (2014–2017), using tracking plates, a proxy for rodent abundance/activity. We reported a significant lower rodent activity/abundance after the chemical and infrastructural interventions (Z = −4.691 (p < 0.001)), with track plate positivity decreasing to 28% from 70% after and before interventions respectively. Therefore, the combination of chemical and infrastructural interventions significantly decreased the degree of rodent infestation in the study area. In addition, no rodent population rebound was recorded until almost a year post-intervention, and the post-intervention infestation level did not attain the pre-intervention level all through the study. Moreover, among pre-treatment conditions, access to sewer rather than the availability of food was the variable most closely associated with household rodent infestation. Our study indicates that Integrated Pest Management (IPM)-approaches are more effective in reducing rodent infestation than the use of a single method. Our findings will be useful in providing guidance for long-term rodent control programs, especially in urban low-income communities.
A comprehensive bioinformatics analysis to identify potential prognostic biomarkers among CC and CXC chemokines in breast cancer
Authors: Hozhabri Hossein , Moghaddam Marziyeh Mazaheri , Moghaddam Madiheh Mazaheri , Mohammadian Ali
Published: June 2022

Breast cancer (BC) is a major human health problem due to its increasing incidence and mortality rate. CC and CXC chemokines are associated with tumorigenesis and the progression of many cancers. Since the prognostic values of CC and CXC families' expression in various types of cancers are becoming increasingly evident, we aimed to conduct a comprehensive bioinformatics analysis elucidating the prognostic values of the CC and CXC families in BC. Therefore, TCGA, UALCAN, Kaplan–Meier plotter, bc-GenExMiner, cBioPortal, STRING, Enrichr, and TIMER were utilized for analysis. We found that high levels of CCL4/5/14/19/21/22 were associated with better OS and RFS, while elevated expression of CCL24 was correlated with shorter OS in BC patients. Also, high levels of CXCL9/13 indicated longer OS, and enhanced expression of CXCL12/14 was linked with better OS and RFS in BC patients. Meanwhile, increased transcription levels of CXCL8 were associated with worse OS and RFS in BC patients. In addition, our results showed that CCL5, CCL8, CCL14, CCL20, CCL27, CXCL4, and CXCL14 were notably correlated with the clinical outcomes of BC patients. Our findings provide a new point of view that may help the clinical application of CC and CXC chemokines as prognostic biomarkers in BC.
Mechanistic interaction studies of synthesized ZIF-8 nanoparticles with bovine serum albumin using spectroscopic and molecular docking approaches
Authors: Mittal Ashi , Gandhi Sona , Roy Indrajit
Published: June 2022

Numerous studies have shown that nanosized zeolitic imidazolate framework particles (ZIF-8 NPs) serve as promising vehicles for pH-responsive drug delivery. An understanding of their interaction with serum proteins present in physiological systems will thus be of critical importance. In this work, monodisperse ZIF-8 NPs with an average size of 60 nm were synthesized at room temperature and characterized for their various physicochemical properties. Bovine serum albumin (BSA) was used as model serum protein for various interaction studies with ZIF-8 NPs. Spectroscopic techniques such as UV–visible and fluorescence spectroscopy indicated the formation of a ground-state complex with a binding constant of the order 103 M−1and a single binding site. Steady-state and time-resolved fluorescence spectroscopy confirmed the mechanism of quenching to be static. Conformational changes in the secondary structure of BSA were observed using CD and FT-IR spectroscopies. Binding sites were explored using molecular docking studies.
The safety and efficacy of laparoscopic gastrectomy for patients with locally advanced gastric cancer following neoadjuvant chemotherapy
Authors: Liu Lihang , Wang Chuandong , Li Feng , Zhang Xiaojuan , Cheng Xuefei , Lin Shengtao , Liu Yi , Yang Changshun , Li Weihua
Published: June 2022

Limited researches focused on the application of laparoscopic gastrectomy (LG) in locally advanced gastric cancer (LAGC) patients following neoadjuvant chemotherapy (NACT). In this study, we aimed at illustrating the surgical and survival outcome of LG in LAGC patients following NACT. We performed a retrospective study of patients with LAGC who received either LG following NACT or upfront LG at Fujian Provincial Hospital between March 2013 and October 2018. Perioperative parameters, short-term and long-term outcomes were compared. The Kaplan–Meier estimator was used to describe the survival curves, and the differences were examined by the log-rank test. In total, 76 consecutive patients were enrolled into the NACT-LG (41 patients) and LG (35 patients) group. The postoperative hospital stay was significantly longer for LG than for NACT-LG (11.0 vs. 12.0 day, P = 0.031). Significant difference was found in Grade ≥ III severe postoperative complications in two groups (0 vs. 17.1%, P = 0.001). No patient died of postoperative complications in the NACT-LG group, and one patient (1/35, 2.9%) died of postoperative complications in the LG group. A forest plot revealed that most subgroups of LG group were at great risks of postoperative complications. Compared with the LG group, the NACT-LG group had a significantly better DFS (14.4% vs. 5.7%, P = 0.0299) and better OS (34.1% vs. 8.6%, P = 0.0061) at 3 years. NACT increased the safety of LG for patients with LAGC and offer better disease-free and overall survival. For patients with LAGC, LG following NACT should be the priority treatment.
Artificial intelligence guided conformational mining of intrinsically disordered proteins
Authors: Gupta Aayush , Dey Souvik , Hicks Alan , Zhou Huan-Xiang
Published: June 2022

Artificial intelligence recently achieved the breakthrough of predicting the three-dimensional structures of proteins. The next frontier is presented by intrinsically disordered proteins (IDPs), which, representing 30% to 50% of proteomes, readily access vast conformational space. Molecular dynamics (MD) simulations are promising in sampling IDP conformations, but only at extremely high computational cost. Here, we developed generative autoencoders that learn from short MD simulations and generate full conformational ensembles. An encoder represents IDP conformations as vectors in a reduced-dimensional latent space. The mean vector and covariance matrix of the training dataset are calculated to define a multivariate Gaussian distribution, from which vectors are sampled and fed to a decoder to generate new conformations. The ensembles of generated conformations cover those sampled by long MD simulations and are validated by small-angle X-ray scattering profile and NMR chemical shifts. This work illustrates the vast potential of artificial intelligence in conformational mining of IDPs.
Role of natural organic matter and hardness on lead release from galvanic corrosion
Authors: King Patrick W. , Peldszus Sigrid , Mishrra Anushka , Trueman Benjamin F. , Aghasadeghi Kimia , Gagnon Graham A. , Giammar Daniel E. , Huck Peter M.
Published: June 2022

Suwannee river natural organic matter greatly increased dissolved lead release from galvanic corrosion due to complexation with humic acid-like substances.
Growth mechanisms from tetrahedral seeds to multiply twinned Au nanoparticles revealed by atomistic simulations
Authors: El koraychy El yakout , Roncaglia Cesare , Nelli Diana , Cerbelaud Manuella , Ferrando Riccardo
Published: June 2022

Atomic level simulations supported by density-functional theory calculations identify the key mechanisms of the twinning process in gold tetrahedral nanoparticles, which is shown to originate from the growth kinetics of the pure, ligand-free metal.
A new mitochondria-targeted fluorescent probe for exogenous and endogenous superoxide anion imaging in living cells and pneumonia tissue
Authors: Ye Ya-Xi , Pan Jian-Cheng , Chen Xin-Yue , Jiang Li , Jiao Qing-Cai , Zhu Hai-Liang , Liu Jun-Zhong , Wang Zhong-Chang
Published: June 2022

Schematic illustration of in situ detection for superoxide anions by Mito-YX.
In situ insight into the self-assembly evolution of ABA-type block copolymers in water during the gelation process using infrared spectroscopy and near-infrared spectroscopy
Authors: Xiong Chongwen , Ma Biao , Qiu Teng , Li Xiaoyu , Shao Xueguang , Guo Longhai
Published: June 2022

Infrared and near-infrared spectroscopy were used to investigate the gelation process of thermosensitive block copolymers. Intermolecular hydrogen bond dissociation of hydrophobic blocks is the main driving force for gelation process.
Simulating the solvation structure of low- and high-spin [Fe(bpy)3]2+: long-range dispersion and many-body effects
Authors: Zulfikri Habiburrahman , Pápai Mátyás , Dohn Asmus Ougaard
Published: June 2022

Investigating the atomic interactions that govern solvation structure of transition metal complexes.
A new direct band gap Si–Ge allotrope with advanced electronic and optical properties
Authors: Shen Hong , Yang Riyi , Zhou Jian , Yu Zhiyuan , Lu Ming , Zheng Yuxiang , Zhang Rongjun , Chen Liangyao , Su Wan-Sheng , Wang Songyou
Published: June 2022

Direct band gap Si–Ge compounds discovered theoretically by global structure search.
Combined effects of emitter–emitter and emitter–plasmonic surface separations dictate photoluminescence enhancement in a plasmonic field
Authors: Thomas Elizabeth Mariam , Cortes Cristian L. , Paul Livin , Gray Stephen K. , Thomas K. George
Published: June 2022

The landscape of plasmon enhanced photoluminescence of quantum dots (QDs) was mapped by varying its distance from Au nanoparticles and QD–QD separations. The pivotal role of emitter–emitter interactions on metal enhanced fluorescence is established.
The Jahn–Teller and pseudo-Jahn–Teller effects in the propyne radical cation
Authors: Kanakati Arun Kumar , Rani Vadala Jhansi , Mahapatra S.
Published: June 2022

The Jahn–Teller (JT) and pseudo-Jahn–Teller (PJT) effects in the X̃2E, Ã2E and B̃2A1 electronic states of the propyne radical cation are investigated with the aid of ab initio quantum chemistry calculations and first principles quantum dynamics simulations.
Rashba-type spin splitting and transport properties of novel Janus XWGeN2 (X = O, S, Se, Te) monolayers
Authors: Vu Tuan V. , Phuc Huynh V. , Nguyen Chuong V. , Vi Vo T. T. , Kartamyshev A. I. , Hieu Nguyen N.
Published: June 2022

We discuss and examine the stability, electronic properties, and transport characteristics of asymmetric monolayers XWGeN2 (X = O, S, Se, Te) using ab initio density functional theory.
How to capture C2O2: structures and bonding of neutral and charged complexes [(NHC)–C2O2–(NHC)]q(NHC = N-heterocyclic carbene;q= 0, 1+, 2+)
Authors: Ding Chengxiang , Yao Lei , Zhao Lili , Frenking Gernot
Published: June 2022

The molecules [(NHC)–C2O2–(NHC)]q(q= 0, +1, +2) have strong electron-sharing and dative C–C bonds making all systems thermodynamically stable. The stability of the neutral complex is due to the much lower S/T gap of [NHC–CO] than of CO.
Synergistic photocatalytic CH4 conversion to C1 liquid products using Fe oxide species-modified g-C3N4
Authors: Dai Yue , Ju Tangtong , Tang Hailong , Wang Meiling , Ma Yongqing , Wang Min , Zheng Ganhong , Sun Xiao
Published: June 2022

A binary catalyst Fe-modified g-C3N4 was synthesized for direct photocatalytic CH4 conversion into C1 liquid products. A high C1 product yield and C1 selectivity of 16.52 mol molFe−1 h−1 and 95.5% were obtained under optimal conditions.
Parallel mechanochemical optimization – Buchwald–Hartwig C–N coupling as a test case
Authors: Lemesre Quentin , Wiesner Thomas , Wiechert Rainer , Rodrigo Eduardo , Triebel Sonja , Geneste Hervé
Published: June 2022

Reaction conditions for mechanochemical Ar-amination were optimized in parallel: in a maximum of four steps [neat, LAG (water or methanol) and AG (sand) conditions] the yield could be significantly improved. The reaction time is short, and the conversion and purity are high.
Second near-infrared upconversion and downconversion luminescence in a core–multishell nanophotoswitch
Authors: Lin Hao , Cheng Zhiyuan , Xu Dekang , Zheng Xuegang , Liu Tong , Xu Liqin , Ma Ying , Zhang Yueli
Published: June 2022

Ho3+ is selected as both the energy trapping center and NIR-II emitter in the core.
Synthesis of central spiro-bis-THF fragments of symbiospirols A–C
Authors: Shinde Mahesh H. , Kona Chandrababu N. , Ramana Chepuri V.
Published: June 2022

Four diastereomeric spiro-bis-THF derivatives representing the central C22–C33 and C36–C47 fragments of symbiospirols A–C have been synthesized in an attempt to establish the relative stereochemistry of these fragments.
Vacancy engineering of two-dimensional W2N3 nanosheets for efficient CO2 hydrogenation
Authors: Li Bin , Ma Bo , Wang Shu-Yan , Yu Ming-Ming , Zhang Ze-Qi , Xiao Ming-Jun , Zhang Hong , Wu Jian-Feng , Peng Yong , Wang Qiang , Zhang Hao-Li
Published: June 2022

N vacancies of two-dimensional W2N3 nanosheets as confirmed by spherical aberration corrected scanning transmission electron microscopy (Cs-corrected STEM) boosted efficient CO2 hydrogenation.
Aromatic sensitizers in luminescent hybrid films
Authors: Hansen Per-Anders , Svendsen Joachim , Nesteng Hanne , Nilsen Ola
Published: June 2022

By combining Y3+, Eu3+ and Tb3+ with a range of aromatic acids in molecular layer deposition, we achieve strong near-UV absorption and colorful luminescence.
A lateral built-in field of the 2D/2D SnS2/SnSe2 in-plane heterostructure with boosted interfacial charge transfer
Authors: Wu Ruozhen , Xin Tiezhu , Wang You , Wang Tingting , Liu Lizhao , Hao Juanyuan
Published: June 2022

Heterostructure construction is an effective strategy for enhancing the properties of functional materials.
Enzyme-activated prodrugs and their release mechanisms for the treatment of cancer
Authors: Li Xinyu , Huo Fangjun , Zhang Yongbin , Cheng Fangqin , Yin Caixia
Published: June 2022

Enzyme-activated prodrugs have received a lot of attention in recent years.
Eu(iii)-Functionalized HOFs based on machine learning-assisted fluorescence sensing: discrimination of quinolonesviaPCA and BPNN models
Authors: Zhu Kai , Xu Xin , Yan Bing
Published: June 2022

A Eu@HOF-GS-10 sensor has been preparedviaion exchange between Eu3+ions and guanidine cations, which can be utilized for fluorescence discrimination of quinolones based on PCA and BPNN models.
CDK activity sensors: genetically encoded ratiometric biosensors for live analysis of the cell cycle
Authors: Martinez Michael A. Q. , Matus David Q.
Published: June 2022

Cyclin-dependent kinase (CDK) sensors have facilitated investigations of the cell cycle in living cells. These genetically encoded fluorescent biosensors change their subcellular location upon activation of CDKs. Activation is primarily regulated by their association with cyclins, which in turn trigger cell-cycle progression. In the absence of CDK activity, cells exit the cell cycle and become quiescent, a key step in stem cell maintenance and cancer cell dormancy. The evolutionary conservation of CDKs has allowed for the rapid development of CDK activity sensors for cell lines and several research organisms, including nematodes, fish, and flies. CDK activity sensors are utilized for their ability to visualize the exact moment of cell-cycle commitment. This has provided a breakthrough in understanding the proliferation-quiescence decision. Further adoption of these biosensors will usher in new discoveries focused on the cell-cycle regulation of development, ageing, and cancer.
Exploratory scenarios for the differential nuclear and tidal evolution of TZ Fornacis
Authors: Claret A.
Published: June 2022

Aims. TZ Fornacis is a double-lined eclipsing binary system with similar masses (2.057 ± 0.001 and 1.958 ± 0.001 M⊙) but characterized by very different radii (8.28 ± 0.22 and 3.94 ± 0.17 R⊙). This similarity in terms of mass makes it possible to study the system’s differential stellar evolution as well as some aspects of its tidal evolution. With regard to its orbital elements, it was recently confirmed that its orbit is circular with an orbital period of 75.7 days. The less massive component rotates about 17 times faster than the primary one, which is synchronized with the mean orbital angular velocity. Our main objective in this work is to study both the nuclear and the tidal evolution of the system.

Methods. To model the TZ For system, we used the MESA package, computing the grids using the exact observed masses, radii, and effective temperatures as input, and then varying the metallicity, the core overshooting amount, and the mixing-length parameter. A χ2 statistic was used to infer the optimal values of the core overshooting and the mixing-length parameters. The same procedure was used to generate rotating models with the GRANADA code. The respective errors in the average age of TZ For were less than 5%. On the other hand, the differential equations that govern the tidal evolution were integrated using the fifth-order Runge–Kutta method, ith a tolerance of 1 × 10−7.

Results. We explored two scenarios regarding the initial eccentricities: a high one (0.30) and a case of an initial circular orbit. A good agreement has been found between the observational values of the eccentricity, synchronism levels, and orbital period with the values predicted by the integration of the tidal evolution equations. The influence of the friction timescale on the evolution of the orbital elements of TZ For is also studied here. The orbital elements most affected by the uncertainties in the friction timescale are the synchronism levels of the two components. On the other hand, we used the properties of the rotating models generated by the GRANADA code as the initial angular velocities instead of using trial values. In this case, comparisons between the theoretical values of the orbital elements and their observed counterparts also lead to a good interagreement.
Micropropagation of Asparagus officinalis L. through callus development
Authors: Nguyen Minh Ly , Nguyen Thi Nhat Tuyen , Le Huynh Diem Suong , Mironov Aleksey , Vorobyev Mikhail , Orlova Elena
Published: June 2022

In order to develop an in vitro propagation process for production and conservation, in this study, we investigated the influence of disinfectants and plants growth regulators (PGR) on the infection rate of explants, the ability of callus formation, and the regeneration of shoot and root from Asparagus officinalis L. trunk segments. We obtained the best results when disinfecting trunk segments explants combined with alcohol 70° in 5 minutes and NaClO in 5 minutes with the lowest contamination rate of 3.7%. Callus was formed well in MS medium supplemented with 3% sucrose; 0.7% agar, pH= 5.8; 1.0 mg/l BAP and combined with 0.5 mg/l NAA, 1.5 mg/l BAP and 0.75 mg/l NAA. The highest rate of shoot formation was 87.2% when the callus continued to grow in the environment supplemented with 2.0 mg/l BAP and 1.0 mg/l NAA. Roots were formed after 4 weeks of shoot cultivation in MS medium supplemented with 0.5 mg/l NAA with the highest rooting rate of 74.59%.
The effect of mineral nutrition on the biochemical composition of Venyaminovskoe apple cultivar fruits
Authors: Vetrova Oksana , Makarkina Margarita , Larisa Leonteva
Published: June 2022

The results of a five-year study of the mineral fertilizers' effect on the chemical composition of Venyaminovskoe apple cultivar fruits are presented. It is shown that the use of soil and foliar application of nitrogen and potash fertilizers did not have a significant effect on the content of soluble solids, sugars, titrated acids, ascorbic acid, and phenolic compounds in fruits. It was established that the most significant factor affecting the chemical composition of fruits are the weather conditions of the growing season. At the same time, the content of ascorbic acid significantly exceeding the control over an average of five experimental years was found in the option with the introduction of nitrogen and potash fertilizers into the soil at a dose of N60K80 together with foliar top dressing. There is a tendency of increasing accumulation of leucoanthocyanins in fruits over the years. In 2021, there was a significant decrease in catechins with the use of mineral fertilizers at a dose of N60K80, as well as in the following options: without soil and minimal (N30K40) fertilization against the background of top dressing.
Qualitative characteristics of collectible forms Citrus reticulata Blan. var. unchiu Tan.
Authors: Kulyan Raisa , Belous Oksana , Konnov Nikolay
Published: June 2022

The article discusses the key characteristics of the quality of mandarin fruits (Citrus reticulata Blan. var. unchiu Tan.) from the collection of FRC SSC RAS. The objects of the study were 12 unique and most valuable varieties and hybrids of domestic and foreign breeding. The results of mechanical analysis of fruits are given. The study of the chemical composition of fruits showed that they are rich in vitamins, sugars, acids. The quantitative ratio is dominated by sucrose, more than 70 % of sucrose is noted in the varieties 'Pioner 80', 'Sochinskij 23', 'Krasnodarskij 83', 'Iverija'. The greatest amount of fructose was isolated in clones and hybrids from 20.1 – 21.6 %. Organic acids (citric, malic, succinic, acetic, lactic, oxalic, ascorbic), vitamin C (ascorbic) were determined, the high content of which was noted in clones 22 and 33. Among the main organic acids, citric acid dominates – 90-96 %, the leader appear to be 'Kowano Wase', the least amount is in ' Sochinskij 23'. The high content of succinic acid was noted in the varieties 'Millennium 1' (37.34 mg/100g) and ' Pioner 80' (35.06 mg/100g). Fruits of the variety 'Jubilejnyj', ' Pioner 80' and Hybrid No. 10 contain the largest amount of tartaric acid, which ranges from 51.44 to 59.71 mg/100g. The highest sugar–acid index was noted in the early ripening varieties 'Millenium 1' (9.3 units) and 'Kowano Wase' (8.5 units), hybrid No. 10 (8.0 units), which indicates good taste indicators of these samples.
The influence of growth regulators on the tea quality in the foothill zone of the North-West Caucasus
Authors: Belous Oksana , Lagoshina Angelina
Published: June 2022

Agroecological assessment of the natural resources of the Adygea allowed to identify the main factors limiting the productivity of tea plants. Such factors determine a low yield and tea quality within the zone. Tea refers as a food product; therefore, to activate productivity and improve quality indicators on plantations, it is possible to use eco-friendly cultivation technologies only, for example, processing with growth regulators, which are used in organic farming. The content of ascorbic acid, extractives and tannin in 3-leaf tea flushes was determined. The treatments with growth regulators activate the accumulation of ascorbic acid by 1.5 - 1.8 times compared to the control option (116.8 mg/g of raw mass). Moreover, the largest amount of ascorbate is synthesized in flushes treated with rokohumin (177.8 mg/g) and bombardier (207.9 mg/g). Studies have shown that when treated with growth regulators, there is a slight increase in the amount of extractives (32.1-34.9 %, in the control – 31.3 %) and tannins (21.7 % – 22.9 %, 20.4 % in the control). The calculation of the smallest significant difference showed the presence of significant differences between the experimental options and the control for all the analysed characteristics.
Principles of formation of field crop rotations in the conditions of the forest-steppe of western Siberia
Authors: Chibis Valery
Published: June 2022

The article analyzes soil and climatic zoning of the territory of the forest-steppe of Western Siberia, population degree, contour of fields, biological economic features of crops, including the leading - spring wheat. The adaptive landscape approach to the zonal features of crop alternation was used in the work, which makes it possible to determine a reasonable ecological niche for each one, select crops in accordance with biological requirements, productivity, profitability of production, as much as possible to reduce repeated and monocrops. Monitoring of economic activity over the past 35 years has shown a tendency for commodity producers to be stratified by resource capabilities, technical equipment, and, above all, the level of agriculture intensification. In this regard, recommendations for optimizing field crop rotations are focused on expanding to 8-10 crops and adaptive varieties, considering their profitability and "soil improvement", limiting resowing, excluding continuous cultivation of agricultural crops. In conditions of limited intensive agriculture, about 5-10% of the arable land area belongs to crop rotations with winter, tilled crops, legumes, melilot, rapeseed, millet, clover, annual multicomponent grasses, the efficiency of which in terms of the yield of fodder units often surpasses grain-fallow crop rotations with short rotation. It is noted that in recent years, special attention has been paid to alternate crop rotations, which allow, with increase in farming standards and use of intensification means, to slightly reduce the fallow field and optimize the structure of arable land use, to increase the biodiversity of a set of crops and adaptive varieties. The tendency to switch to rotation crop, among commodity producers of a more humidified forest-steppe zone, is possible only with the use of fertilizers and the improvement of agrophytocenoses. The expansion of alternate crop rotations and the reduction of repeated sowing of spring wheat is also due to positive changes in hydrothermal conditions in arid soil and climatic zones of Western Siberia.
The effect of tillage in combination with the use of fertilizers and protective equipment on the yield and economic efficiency of crop cultivation in the North-Eastern region of the central chernozem zone
Authors: Shabalkin A.V. , Skorochkin Yu.P. , Vorontsov V.A. , Dracheva M.K.
Published: June 2022

The studies were carried out on typical chernozem. The purpose of the research was to develop resource-saving technological methods of crop cultivation, ensuring an increase in yield and economic efficiency of production. The work was carried out in a long-term stationary field experiment against the background of two types of crop rotations: in 2007-2010 – grain-fallow-hoe (black fallow – winter wheat – sugar beet – barley) and in 2013-2020 – grain-fallow (black fallow – winter wheat – soy – barley). Four systems of basic tillage were compared in the grain-fallow-hoe crop rotation: traditional dump multi-depth, surface, non-dump multi-depth, combined (25% dump + 75% non-dump). There are five tillage systems in the grain-fallow crop rotation, with the inclusion of a combined system in the experiment scheme (25% dump + 75% surface). Fertilizers and plant protection products were used against the background of treatments for crop rotation cultures. The best conditions for the formation of crop yields, arable land productivity in crop rotations and the best economic indicators are formed with combined (25% dump and 75% non-dump) and (25% dump + 75% surface) tillage systems in combination with a low level of mineral nutrition and plant protection products. An increase in the level of mineral nutrition in crop rotations without the use of plant protection products leads to a significant decrease in the economic efficiency of production.
Ecological characteristics of horse chestnut (Aesculus hippocastanum L.) plantings of the city of Orel
Authors: Tyapkina A.P. , Silaeva Zh.G. , Kiseleva L.L. , Shiryaeva N.A. , Parakhina E.A.
Published: June 2022

Today, the leading factors of deterioration of woody plants in natural and artificial ecosystems are pests and pathogens. Monitoring and control of populations of known pest species and pathogens is an urgent task of modern ornamental plant raising. The purpose of the work was to characterize the state of Aesculus hippocastanum L. plantings at the objects of landscape architecture of the city of Orel for damage by the chestnut miner Cameraria ohridella Deshka et Dimic. Plantings of A. hippocastanum L. were examined at four landscaping sites of the Sovetsky district of the city of Orel. The plantings were assessed visually, according to the condition of the crown and the damage to the leaves of the horse chestnut with a periodicity of 17 days. As a result of the study, it was shown that most of the damaged woody plants were found in the City Park of Culture and Recreation, to a lesser extent - on Victory Boulevard, where preventive stem injections were carried out. As the main measures to combat the chestnut mining moth in urban conditions, systematic pruning of species, stem injections, replacement of species with resistant species and varieties are recommended: A. carnea, A. glabra, A. indica.
The effect of negative air temperatures and humidity on the photosynthetic apparatus functioning in some species of Oleaceae family
Authors: Gubanova Tatiyana , Paliy Anfisa
Published: June 2022

The characteristics of the photosynthetic apparatus functioning in the leaves of some evergreen species of Oleaceae family depending on the cold periods` weather conditions on the southern coast of Crimea are presented in this work. It has been revealed that changes in PSII are species-specific. Low air humidity in combination with negative air temperature promotes a significant decrease in frost resistance in the studied Olea and Osmantus genotypes. However, in Olea europea genotypes, changes in the PSII parameters under the simulation of winter desiccation approximated sublethal limits. The photosynthetic apparatus in L. lucidum species was more sensitive to a decrease in air temperature under conditions of relatively high air humidity. The development of the stress state in this species was accompanied by an increase in energy losses in the process of energy transfer from light-harvesting complexes. With the onset of frosty weather, a significant decrease in the chlorophyll a/b ratio was noted in all the studied genotypes. After the stress pressure, Olea europea cultivars and Osmantus spp. showed an increase in chlorophyll amount, in contrast to L. lucidum, in which the ratio of photosynthetic pigments remained low.
Economic efficiency of Thuja plants propagation by cuttings
Authors: Masalova Lubov , Firsov Andrey
Published: June 2022

High interest in ornamental plants as an element of landscaping has been actively going on in recent years. In urban green construction, it is increasingly possible to meet not native local species, but introduced plants, which in urbanized environments are in many cases more stable and durable. For several years, we have been studying the selection of root formation stimulants, as well as their necessary concentration for treating cuttings of Thuja occidentalis forms. As a result of the calculation of economic efficiency, an increase in profitability was revealed when using phytohormones compared with the control. As an effective growth stimulator, the IBA (indole-buteric acid) drug (100 mg/l) was chosen. The use of IBA auxin (100 mg / l) allows to increase the profitability of production and provides a high yield of planting material with minimal costs.
Marktstudie Kinderlebensmittel: Freiwillige Selbstverpflichtungen
können an Kinder gerichtete Werbung für ungesunde Lebensmittel
nicht verhindern
Authors: Huizinga Oliver , Reinbeck Saskia
Published: June 2022

Ziele In der vorliegenden Studie wurde untersucht, inwiefern die
bestehenden freiwilligen Selbstverpflichtungen verhindern, dass Lebensmittel mit
einem hohen Zucker, Fett-, und/oder Salzgehalt an Kinder beworben
werden.

Methode foodwatch hat mithilfe einer Supermarkt- und Online-Recherche alle
in Deutschland an Kinder beworbenen Lebensmittel von führenden
Lebensmittelherstellern (Unterzeichner des „EU Pledge“)
identifiziert. Für die insgesamt 281 Produkte wurden die
Nährwertangaben ermittelt und anhand des Nutrient Profile Model der WHO
Europa bewertet.

Ergebnis 85,4% der von den Lebensmittelkonzernen an Kinder
beworbenen Produkte enthalten zu viel Zucker, Fett und/oder Salz. Sie
sind nach den Kriterien der WHO unausgewogen.

Schlussfolgerungen Die Ergebnisse zeigen, dass die freiwilligen
Selbstverpflichtungen der Werbe- und Lebensmittelindustrie nicht verhindern,
dass unausgewogene Lebensmittel an Kinder beworben werden.
Verkürzte Aufenthaltsdauer auf der Schlaganfallstation bei
frühmobilisierten Patient*innen mit Schlaganfall
Authors: Bohle Tanja , Brück Katharina
Published: June 2022

Zielsetzung Ziel der vorliegenden Arbeit war es, den Zusammenhang zwischen
dem Zeitpunkt der ersten Mobilisation und der Verweildauer auf der
Schlaganfallstation bei Patient*innen mit einem akuten
Schlaganfallereignis zu untersuchen.

Methode Auf der akuten Schlaganfallstation des Asklepios Klinikums Harburg
wurde eine sechswöchige empirische, explorative Untersuchung
durchgeführt. Es konnten 101 Datensätze statistisch ausgewertet
werden. Die Daten wurden über das digitale Dokumentationsprogramm des
Krankenhauses erhoben, wobei nicht in den Ablauf auf der Schlaganfallstation
eingegriffen und keine Intervention durchgeführt wurde.

Ergebnisse Zwischen dem Zeitpunkt der ersten Mobilisation und der
Verweildauer auf der Schlaganfallstation bestand ein moderater positiver
Zusammenhang (r=0,409, p=< 0,001). In den
Mobilisationszeiträumen ≤ 24 Stunden, 25–48 Stunden und
≥ 49 Stunden verweilten die am frühesten mobilisierten
Patient*innen im Durchschnitt am kürzesten auf der Station,
gefolgt von den später mobilisierten Patient*innen.

Diskussion Das Alter, die vorliegende Schlaganfallschwere zum Zeitpunkt
der Einlieferung auf der Schlaganfallstation sowie die Art des Schlaganfalls
können möglicherweise den Zusammenhang zwischen dem Zeitpunkt
der ersten Mobilisation und der Verweildauer auf der Station beeinflusst
haben.
Kreativtherapien in der Neurorehabilitation
Authors: Marie Ladda A. , Lotze Martin
Published: June 2022

Emotionales Ansprechen und Motivation, hohe Repetitionsrate ohne Langeweile oder
Habituation – das ist ein Repertoire, das die meisten konventionellen
Therapien in diesem Ausmaß nicht abdecken können. Alle
multidimensionalen Therapieansätze sind durch eine
außergewöhnlich umfassende ZNS-Aktivität gekennzeichnet,
was eine Nutzung im Bereich des Trainings in der Neurorehabilitation besonders
sinnvoll erscheinen lässt. Um das große Potenzial der
Kreativtherapien zu nutzen, wären eine breitere Anerkennung sowie
begleitende Forschung wünschenswert.
„Menschen brauchen Kontakt, um gesund zu
werden“
Authors: Detzner Marion
Published: June 2022

Die 52-jährige Patientin erlitt 6 Wochen vor dem Interview einen
paramedianen Ponsinfarkt links. Initial bestanden eine proximal betonte
Hemiparese, Hemiataxie und faziale Parese rechts, Stand- und Gangataxie und eine
Dysarthrie sowie Störungen der Aufmerksamkeit und
Konzentrationsfähigkeit. Die Patientin, die während ihres
Reha-Aufenthalts dreimal an der Tanztherapie teilnahm, arbeitete bis zu ihrem
Schlaganfall selbst über 32 Jahre als Krankenschwester auf einer
Stroke-Unit.
Tanztherapie zur Kommunikationsförderung von neurologischen
Patient*innen
Authors: Bender Susanne , Detzner Marion
Published: June 2022

Tanztherapie gehört zu den Kreativtherapien. Sie hat primär nicht
die funktionale Bewegungsverbesserung zur Aufgabe, sondern sie nutzt den Tanz
und die Bewegung zum Ausdruck innerpsychischer Prozesse, um wieder ein
psychophysisches Gleichgewicht herzustellen.
Statins Increase the Bioavailability of Fixed-Dose Combination of Sofosbuvir/Ledipasvir by Inhibition of P-glycoprotein
Authors: Abdelkawy K.S. , Belal Fathalla , Abdelaziz AbdelazizE , Elmekawy H. A. , Abdelgaied M. Y. , El-Khodary N. M.
Published: June 2022

Background Coadministration of statins and direct acting antiviral agents is frequently used. This study explored the effects of both atorvastatin and lovastatin on pharmacokinetics of a fixed-dose combination of sofosbuvir/ledipasvir “FDCSL”.

Methods 12 healthy volunteers participated in a randomized, three-phase crossover trial and were administered a single atorvastatin dose 80 mg plus tablet containing 400/90 mg FDCSL, a single lovastatin dose 40 mg plus tablet containing 400/90 mg FDCSL, or tablets containing 400/90 mg FDCSL alone. Liquid chromatography-tandem mass spectrometry was used to analyze plasma samples of sofosbuvir, ledipasvir and sofosbuvir metabolite “GS-331007” and their pharmacokinetic parameters were determined.

Results Atorvastatin caused a significant rise in sofosbuvir bioavailability as explained by increasing in AUC0−∞ and Cmax by 34.36% and 11.97%, respectively. In addition, AUC0-∞ and Cmax of GS-331007 were increased by 73.73% and 67.86%, respectively after atorvastatin intake. Similarly, co-administration of lovastatin with FDCSL increased the bioavailability of sofosbuvir, its metabolite (AUC0-∞ increase by 17.2%, 17.38%, respectively, and Cmax increase by 12.03%, 22.24%, respectively). However, neither atorvastatin nor lovastatin showed a change in ledipasvir bioavailability. Hepatic elimination was not affected after statin intake with FDCSL. Compared to lovastatin, atorvastatin showed significant increase in AUC0-∞ and Cmax of both sofosbuvir and its metabolite.

Conclusions Both atorvastatin and lovastatin increased AUC of sofosbuvir and its metabolite after concurrent administration with FDCSL. Statins’ P-glycoprotein inhibition is the attributed mechanism of interaction. The increase in sofosbuvir bioavailability was more pronounced after atorvastatin intake. Close monitoring is needed after co-administration of atorvastatin and FDCSL.