bluuebunny/crossref_metadata_2025 huggingface dataset:
A Cross Sectional Study on HIV Risk Perception and Sexual Behaviours among Commercial Motorcyclists in Makurdi, Benue State Nigeria
Authors: Bako I. A. , Jamda M. A. , Audu O. , Araoye M. O.
Published: May 2017

The study was aimed at determining the HIV risk perception and sexual behaviour among commercial motorcyclists in Makurdi, Benue State, Nigeria. The study design was cross sectional study among 344 consenting, registered commercial motorcyclists, aged 18 years and above working in Makurdi, Benue State capital. A multistage sampling technique was used to select the respondents from a total of 5000 motorcyclists spread across 45 stations within Makurdi. Data was collected in September 2014 using structured interviewer administered questionnaire. Analysis was done with SPSS version 20.0. The mean age was 28.18 (± 7.94) years. Approximately 93% of the participants reported ever having sex. The average lifetime number of sexual partners was 8.9 (± 20.26) while 48.0% reported having had more than one sexual partner in the previous one year. A two third of the respondents (66.7%) reported use of condom during their last sex with a non-regular partner. Slightly less than a quarter (24.1%) of the respondents have paid to have sex in the previous one year. However only 29.6% perceived themselves as been at moderate or high risk of contracting HIV. There was significant association between risk perception and use of condom during last sex with any partner {OR-2.687 (95% CI= 1.337 - 5.400) p=0.005}. There is low personal risk perception despite high proportion of risky sexual behaviours among the respondents. HIV prevention interventions among commercial motorcyclists need to be more tailored and with the objective of building assertive skills in addition to imparting knowledge.
Knowledge Management Practices and Organizational Learning Have Positive Impacts on Organizational Performance of State-Owned Enterprises in Indonesia
Authors: Susanty Ade Irma , Salwa Madihah
Published: May 2017

The performance of state-owned enterprises (SOEs) is rated as an important component of the economic development in Indonesia. Indonesian government has set strategic steps to fix the financial value of the SOEs. Knowledge management is one of strategic implementation of SOEs. The result of the researcher’s analysis reveals that the implementation of the knowledge management does not always give a positive contribution to the performance of the SOEs. Accordingly, it is important to conduct a research related to the efforts taken in implementing knowledge management and its impacts on organizational performance of the SOEs. The main objective of this study is to figure out the relationship between knowledge management and organizational performance by involving organizational learning as the intervening variable. This study involves six state-owned enterprises in Indonesia. The total number of respondents successfully examined were 189 employees of the six state-owned enterprises. The data was processed by SEM technique using AMOS 22 Software and the result shows that knowledge management has a significant impact by 45% toward organizational performance, and organizational learning influences significantly by 44% on organizational performance.
Econometric Evaluation of Micro Factors of Seasonality on Revenues, Price, Sales and Farmers Work-Occupation: Case of Apple And Tomato on the Regions of Prizren, Lushnja, and Korça
Authors: Deda Eriona
Published: May 2017

The aim of this study is to analyze the importance of effects and impact of seasonal fluctuations on income of farmers, workoccupation in farm and sales on apples activity for areas of Korça and Prizren , and in tomatos activities for areas Lushnja and Prizren. Lushnja area is one of the most popular areas of Albania on the quality of vegetable production. Seasonal effects that influence on the apples production in areas of Korça and Prizren and tomatos in areas of Lushnja and Prizren. Some seasonal effects comes as a result of weather conditions, pests and diseases, and are more expressed in those economic phenomenon such us: the volatility of price over year, to farmers income and to farmers work-occupation over a year. We also can say that the production of apples and tomatos in our country includes more intensive activities of production that require large investments. Their production cost turns out to be higher for manufacturers, but, while also enabling high levels of profit. Our estimates are based on data obtained from surveys, for 300 farmers, to make our evaluations we build some econometric models. In this paper we have used the model of seasonal indexes, where seasonal variation can be measured in terms of an index called the seasonal index. We have used these methods: seasonal indexes standard deviations, and econometric modeling. Also we have defined indicators and values of the variations coefficient. The variations coefficient is a relative indicator which expresses the ratio between to standard deviation size and arithmetic average of mass phenomenon.
The Effect of Training and Ability on the Performance of Employee at Disaster Management Bureau of Central Kalimantan Province
Authors:   Yunikewaty
Published: May 2017

This study aims to examine and determine the effect of training and ability on the performance of employee at Disaster Management Bureau of Central Kalimantan Province. The results of this study are expected to contribute to the discourse of science in the field of human resource management. This is an explanatory research which explains the relationship between exogenous variables and endogenous variables. It took 34 employees as the sample by implementing saturated sampling as the method. The data were analyzed with Structural Equation Modeling (SEM) using PLS software. The results showed training and ability have direct and positive effect on the performance of employee at Disaster Management Bureau of Central Kalimantan Province.
Effect of Astragalus eremophilus on the Growth of Bracharia ramose
Authors: Muhammad Nadeem Khan  , Mushtaq Ahmad  , Rahmat Ali Khan  , Nadia Mushtaq  , Muhammad Wasim Khan  , Mir Sadiq Shah  , Muhammad Nisar Ul Haq
Published: May 2017

Astragalus eremophilus is traditionally used as a potent antimicrobial, anti-inflammatory and antioxidant medicinal plant. In the present study we proposed to assess an allelopathic property of the aqueous extract of Astragalus eremophilus. Proposed plant of Astragalus eremophilus was collected from the catchment area of University of Science and Technology Bannu in its growing season. The plant parts were dried in shed, grounded to powdered form and saturated with de-ionized water to prepare aqueous crude extract. Promising effects were shown by the crude aqueous extract of Astragalus eremophilus (root and stalk) growth control and least stalk development at high concentration with respect to control. The effect of Astragalus eremophilus on roots and stalk development of Bracharia ramose is as follows; 40% > 30% > 20% > 10%. Astragalus eremophilus could be used as an alternative for weed control as evident by the present study, where further characterization studies are recommended for the production of plant based natural herbicides.
Feature Extraction Using Independent Component Analysis Method from Non-Invasive Recordings of Electroencephalography (EEG) Brain Signals
Authors: Muhammad Azhar  , Ishfaque Ahmed  , Syed Tanveer Iqbal  , Muhammad Jahangir  , Rizwan-ur-Rehman  , Nasir Ali Shah  , Imran Siddiqui
Published: May 2017

Electroencephalography (EEG) is a well known procedure in neuroscience, performed to extract brain signal activity associated with voluntary and involuntary tasks. Scientists and researchers working in neuroscience are involved in the research of brain computer interfacing (BCI) and in improving the existing BCI systems. In BCI, it is possible for a person to control the external devices remotely using brain signals without neurophysical intervention. In the proposed work the new algorithm is introduced to extract the feature from EEG based recorded brain signals. The features are extracted for a specific motoryaction that is raising the right hand. The proposed algorithm is also verified from EEGLAB routines also based on Independent Component Analysis (ICA) method written in MATLAB platform.
STATTHERMO® – NEW SOFTWARE FOR CALCULATION OF THERMODYNAMIC FUNCTIONS
Authors: Dunaev Anatoliy M. , Kudin Lev S.
Published: May 2017

A new software StatThermo for calculation of thermodynamic functions using the molecular constants in Rigid Rotator – Harmonic Oscillator approximation has been developed. Program includes various prebuilt algorithms to calculate atom coordinates for the majority of simple compounds (with a number of atoms N ≤ 8). The developed software can make the calculation for two reference temperatures (0 or 298.15 K) and different pressures. One of the prominent features of StatThermo is taking into account the low-lying electronic levels. The software was tested on different organic and inorganic molecules and average errors was found as follows: 0.05 kJ∙mol–1 (H°(T)-H°(0)), 0.01 J∙mol–1∙K–1 (Ф°(T)), and 0.002 J∙mol–1∙K–1 (S°(T)). The program can also approximate by the polynomial the thermodynamic functions defined by user. A wide range of functional possibilities, flexible parameters of calculation, and feature of export results in the Visual Basic macro do the StatThermo powerful software for thermodynamic computations. StatThermo can connect to the MS Office and OpenOffice servers for the export of calculated data. The software can treat the Gaussian, Gamess, FireFly, Jaguar, MolPro, CFour, NWChem, ORCA, Priroda, PSI4, Q-Chem, and VASP output files. A multilingual and cross-platform support makes the StatThermo accessible for a lot of users. Forcitation:Dunaev A.M., KudinL.S. StatThermo® – new software for calculation of thermodynamic functions. Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol. 2017. V. 60. N 4. P. 40-46.
EFFECT OF RADICAL SCAVENGERS AND PROPOSED PATHWAYS FOR DEGRADATION OF AZO DYE IN AQUEOUS SOLUTION UNDER PRESENCE OF IRON(III) AND PERSULPHATE
Authors: Zhong Heng , Zhao Hui , Li Jun , Sun Lei , Xu Aihua , Xia Dongsheng , Nevsky Alexander V.
Published: May 2017

The degradation process of Acid Orange 7 (AO7) in aqueous solutions by iron(III) under activation by persulfate (PS, S2O82-) oxidation and Visible (Vis) light (≥420 nm) exposure has been studied. The radical scavenging effect was examined by using ethanol (EtOH), tert-butyl alcohol (TBA) and sodium azide to state that the hydroxyl radical (·OH) is regarded as the predominant reactive oxidant for the AO7 decolorization, while the sulfate radical (SO4·-) and singlet oxygen(1O2) are also make their contribution to dye's degradation. The reaction intermediates were determined by electrospray ionization-mass spectrometry (ESI-MS) analysis, and a probable degradation pathway mechanism has been proposed. It was suggested, that firstly an initial successive radical attacks the N atom of the dye, which decompose to p-phenolsulfonic acid and 1,2-naphthaquinone through the contemporaneous break of two C-N bonds. Afterwards, subsequent oxidation of these products and loss of the −SO3− group are observed. Finally, the acyclic carboxylic acids are formed from the central ring-opening, and then the further oxidation to simple carboxylic acids is evident. The work can provide a simple, effective and economic system for the treatment of non-biodegradable azo dye. The recommendations were proposed on organization of an effective quality control of technological water discharge and products of its processing at the local wastewater treatment facilities of industrial plants for prevention of the ingress of hazardous biological substances to the hydrosphere.Forcitation:Heng Zhong, Hui Zhao, Jun Li, Lei Sun, Aihua Xu, Dongsheng Xia, Nevsky A.V. Effect of radical scavengers and proposed pathways for degradation of azo dye in aqueous solution under presence of iron (III) and persulphate. Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol. 2017. V. 60. N 4. P. 88-94.
MOLECULAR STRUCTURE OF MANGANESE TRIS-ACETYLACETONATE IN DIFFERENT SPIN STATES
Authors: Berger Raphael Johann Friedrich , Girichev Georgiy V. , Petrova Angelika A. , Sliznev Valery V. , Tverdova Nataliya V. , Giricheva Nina I.
Published: May 2017

Quantum chemical calculations of the geometric structure, force fields and harmonic vibration frequencies of the molecule Mn(acac)3 for electronic states with multiplicities M = 1, 3 and 5 were performed using the GAUSSIAN 09 program in the framework of density functional theory (DFT/UB3LYP) with correlation-consistent valence three-exponential basis functions cc-pVTZ. The structure with high-spin state S=2 (symmetry of electronic state 5B) possesses the lowest energy and it is characterized by C2 symmetry. The coordination polyhedron MnO6 possesses the shape of “elongated octahedron”. The high-spin state 5A is characterized by structure of compressed octahedron. The distortion of octahedral structure of coordination polyhedron in the states 5A and 5B is significant, and this fact testifies to the strong Jahn-Teller effect, or vibronic effect, in 5E electronic state. The calculations for low-spin state S=0 are notable for some specifics. The optimization resulted in C2 symmetry of molecule having the symmetry of electronic state 1B. The bond distances Mn-O within 0.001 Å were equal to values obtained for structure with D3 symmetry with S=1. This result corresponds to the situation if two electrons occupy different 1e orbitals possessing opposite spins. The spin states 3A2 and 1B lie higher than the high-spin state by 5.2 and 17.3 kcal/mol, respectively. The structural features are explained well in a framework of simple crystal field theory indicating that d-orbitals of Mn3+ ion undergo the significant influence of ligand field.Forcitation:Berger R.J.F., Girichev G.V., Giricheva N.I., Petrova A.A., Sliznev V.V., Tverdova N.V. Molecular structure of manganese tris-acetylacetonate in different spin states. Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol. 2017. V. 60. N 4. P. 47-53.
STUDY OF INCLUSION COMPLEXES OF 2-HYDROXYPROPYL-β-CYCLODEXTRIN WITH BIOLOGICALLY ACTIVE SALINAZIDE AND VANILIN ISONIAZIDE
Authors: Ol’khovich Marina V. , Sharapova Angelika V. , Blokhina Svetlana V. , Trostin Alexander N.
Published: May 2017

Complexation of 2-hydroxypropyl-β-cyclodextrin with salinazide and vanillin isoniazide possessing broncholytic and antitubercular activity was studied by the UV-spectroscopy method in a phosphate buffer solution (рН 7.4).The solubilizing effect of cyclodextrin was studied by the phase diagram method which consisted in quantitatively determining the solubility of biologically active compounds in a buffer solution containing different concentrations of cyclodextrin. The addition of cyclodextrin to a solution leads to a significant increase in the optical density of the compounds under study and in a shift in the wavelength of peak maximum indicating the formation of inclusion complexes. It was determined that the presence 2-hydroxypropyl-β-cyclodextrin in the amount of 0.09 mol kg-1 results in the 13-time solubility increase for salinazide and the 9-time solubility growth for vanillin isoniazide. Linear increase in the solubility of compounds with the addition of cyclodextrin confirms the formation of inclusion complexes compounds I, II with cyclodextrin of stoichiometric composition of 1:1. The temperature dependencies of solubility for the test compounds at different concentrations of cyclodextrin in a buffer solution were obtained. It has found that the solubility of the compounds in the presence of cyclodextrin increases with the temperature rises. Stability constants and thermodynamic parameters of complexation were calculated. Vanillin isoniazide has a lower stability constant than salinazide which is explained by the presence in its structure of methoxy group creating steric hindrance for deeper penetration of this substance into the macrocyclic cavity of the cyclodextrin. It is concluded that the process of formation of complexes is exothermic and enthalpy was determined. The results of this study showed the possibility of using 2-hydroxypropyl-β-cyclodextrin for significant increase in the solubility of the compounds, which improves their bioavailability.For citation:Ol’khovich M.V., Sharapova A.V., Blokhina S.V., Trostin A.N. Study of inclusion complexes of 2-hydroxypropyl-β-cyclodextrin with biologically active salinazide and vanilin isoniazide Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol. 2017. V. 60. N 4. P. 68-74.
Former le citoyen européen ? Réflexions sur le concept d’éducation civique dans le cadre de l’intégration politique transnationale de l’Europe
Authors: Heimpel Daniela
Published: May 2017

Dans cet article, l’auteure s’interroge, du point de vue de la théorie politique, sur la possibilité de penser une éducation à la citoyenneté européenne. En 2009, le Comité économique et social européen a suggéré à l’Union européenne (UE) l’introduction d’une « instruction civique européenne commune » afin de « donner à ses citoyens un réel sentiment d’appartenance » à l’Europe. Si des programmes d’éducation civique existent au niveau national, leur transposition, de manière analogue, au cadre européen et à la citoyenneté européenne ne va pas de soi. En effet, et sans compter les raisons politico-pratiques, l’UE ne souscrit pas à la même logique de construction que jadis les États-nations. Il semble à la fois contre-productif et indésirable, quant au processus d’intégration européenne, d’attribuer à l’éducation le rôle qu’elle a pu avoir dans la construction étatique. De plus, l’UE présente quelques traits spécifiques qui posent des défis particuliers à l’application de l’éducation civique à la citoyenneté européenne ; en effet, ce type d’enseignement a traditionnellement été pensé à partir de présupposés stato-nationaux (catégories, questionnements et problèmes). En s’appuyant sur les travaux post- et transnationaux en études européennes et différents écrits sur le rôle des écoles dans la construction des États-nations et sur l’éducation civique en tant que problème éthique et politique, l’auteure entame ici une analyse de ces défis et offre quelques pistes pour repenser l’éducation civique dans le cadre européen.
Modeling Hsp70/Hsp40 interaction by multi-scale molecular simulations and coevolutionary sequence analysis
Authors: Malinverni Duccio , Jost Lopez Alfredo , De Los Rios Paolo , Hummer Gerhard , Barducci Alessandro
Published: May 2017

The interaction between the Heat Shock Proteins 70 and 40 is at the core of the ATPase regulation of the chaperone machinery that maintains protein homeostasis. However, the structural details of the interaction remain elusive and contrasting models have been proposed for the transient Hsp70/Hsp40 complexes. Here we combine molecular simulations based on both coarse-grained and atomistic models with coevolutionary sequence analysis to shed light on this problem by focusing on the bacterial DnaK/DnaJ system. The integration of these complementary approaches resulted in a novel structural model that rationalizes previous experimental observations. We identify an evolutionarily conserved interaction surface formed by helix II of the DnaJ J-domain and a structurally contiguous region of DnaK, involving lobe IIA of the nucleotide binding domain, the inter-domain linker, and theβ-basket of the substrate binding domain.
Kinetic modeling predicts a stimulatory role for ribosome collisions at elongation stall sites in bacteria
Authors: Ferrin Michael A , Subramaniam Arvind R
Published: May 2017

Ribosome stalling on mRNAs can decrease protein expression. To decipher ribosome kinetics at stall sites, we induced ribosome stalling at specific codons by starving the bacterium Escherichia coli for the cognate amino acid. We measured protein synthesis rates from a reporter library of over 100 variants that encoded systematic perturbations of translation initiation rate, the number of stall sites, and the distance between stall sites. Our measurements are quantitatively inconsistent with two widely-used kinetic models for stalled ribosomes: ribosome traffic jams that block initiation, and abortive (premature) termination of stalled ribosomes. Rather, our measurements support a model in which collision with a trailing ribosome causes abortive termination of the stalled ribosome. In our computational analysis, ribosome collisions selectively stimulate abortive termination without fine-tuning of kinetic rate parameters at ribosome stall sites. We propose that ribosome collisions serve as a robust timer for translational quality control pathways to recognize stalled ribosomes.
Chimeric origins of ochrophytes and haptophytes revealed through an ancient plastid proteome
Authors: Dorrell Richard G , Gile Gillian , McCallum Giselle , Méheust Raphaël , Bapteste Eric P , Klinger Christen M , Brillet-Guéguen Loraine , Freeman Katalina D , Richter Daniel J , Bowler Chris
Published: May 2017

Plastids are supported by a wide range of proteins encoded within the nucleus and imported from the cytoplasm. These plastid-targeted proteins may originate from the endosymbiont, the host, or other sources entirely. Here, we identify and characterise 770 plastid-targeted proteins that are conserved across the ochrophytes, a major group of algae including diatoms, pelagophytes and kelps, that possess plastids derived from red algae. We show that the ancestral ochrophyte plastid proteome was an evolutionary chimera, with 25% of its phylogenetically tractable nucleus-encoded proteins deriving from green algae. We additionally show that functional mixing of host and plastid proteomes, such as through dual-targeting, is an ancestral feature of plastid evolution. Finally, we detect a clear phylogenetic signal from one ochrophyte subgroup, the lineage containing pelagophytes and dictyochophytes, in plastid-targeted proteins from another major algal lineage, the haptophytes. This may represent a possible serial endosymbiosis event deep in eukaryotic evolutionary history.
A selectivity filter at the intracellular end of the acid-sensing ion channel pore
Authors: Lynagh Timothy , Flood Emelie , Boiteux Céline , Wulf Matthias , Komnatnyy Vitaly V , Colding Janne M , Allen Toby W , Pless Stephan A
Published: May 2017

Increased extracellular proton concentrations during neurotransmission are converted to excitatory sodium influx by acid-sensing ion channels (ASICs). 10-fold sodium/potassium selectivity in ASICs has long been attributed to a central constriction in the channel pore, but experimental verification is lacking due to the sensitivity of this structure to conventional manipulations. Here, we explored the basis for ion selectivity by incorporating unnatural amino acids into the channel, engineering channel stoichiometry and performing free energy simulations. We observed no preference for sodium at the “GAS belt” in the central constriction. Instead, we identified a band of glutamate and aspartate side chains at the lower end of the pore that enables preferential sodium conduction.
Elektronisk dokumentasjonsforvaltning – i teori og praksis Den første moderne læreboken på feltet som foreligger på et nordisk språk
Authors: Bould Martin
Published: May 2017

Tom Sahlen: Informationsforvaltning - i offentlig och privat sektor Dokument & Arkiv nr 6, Näringslivets Arkivråd, Stockholm 2016.ISSN: 1 404-7640ISBN: 978-91-973863-5-7
Identifying Quality of Life Measures That Correlate With Quality of Family Relationships Measures in Homeless Persons With Mental Illness: Avenues for Exiting Homelessness?
Authors: Bonin Jean-Pierre , Lavigne Geneviève , Gros Catherine
Published: May 2017

Family relationships are known to play a significant role in helping persons with mental health issues exit homelessness. This study aims to identify the independent quality of life factors that correlate with quality of family relationships. A cross-sectional design was used involving individuals enrolled in the At Home initiative for homeless persons with mental illness in five cities across Canada (N = 2,255). Linear regression analysis indicates that homeless persons’ mental health, community integration, general health status, number of symptoms, and recovery are playing a role in a better quality of life in the family and therefore can help to exit homelessness.
Arm Position and Blood Pressure Readings
Authors: Liu Hairong , Zhao Di , Sabit Ahmed , Pathiravasan Chathurangi H. , Ishigami Junichi , Charleston Jeanne , Miller Edgar R. , Matsushita Kunihiro , Appel Lawrence J. , Brady Tammy M.
Published: October 2024

Importance

Guidelines for blood pressure (BP) measurement recommend arm support on a desk with the midcuff positioned at heart level. Still, nonstandard positions are used in clinical practice (eg, with arm resting on the lap or unsupported on the side).

Objective

To determine the effect of different arm positions on BP readings.

Design, Setting, and Participants

This crossover randomized clinical trial recruited adults between the ages of 18 and 80 years in Baltimore, Maryland, from August 9, 2022, to June 1, 2023.

Intervention

Participants were randomly assigned to sets of triplicate BP measurements with the arm positioned in 3 ways: (1) supported on a desk (desk 1; reference), (2) hand supported on lap (lap), and (3) arm unsupported at the side (side). To account for intrinsic BP variability, all participants underwent a fourth set of BP measurements with the arm supported on a desk (desk 2).

Main Outcomes and Measures

The primary outcomes were the difference in differences in mean systolic BP (SBP) and diastolic BP (DBP) between the reference BP (desk 1) and the 2 arm support positions (lap and side): (lap or side − desk 1) − (desk 2 − desk 1). Results were also stratified by hypertensive status, age, obesity status, and access to health care within the past year.

Results

The trial enrolled 133 participants (mean [SD] age, 57 [17] years; 70 [53%] female); 48 participants (36%) had SBP of 130 mm Hg or higher, and 55 participants (41%) had a body mass index (calculated as weight in kilograms divided by height in meters squared) of 30 or higher. Lap and side positions resulted in statistically significant higher BP readings than desk positions, with the difference in differences as follows: lap, SBP Δ 3.9 (95% CI, 2.5-5.2) mm Hg and DBP Δ 4.0 (95% CI, 3.1-5.0) mm Hg; and side, SBP Δ 6.5 (95% CI, 5.1-7.9) mm Hg and DBP Δ 4.4 (95% CI, 3.4-5.4) mm Hg. The patterns were generally consistent across subgroups.

Conclusion and Relevance

This crossover randomized clinical trial showed that commonly used arm positions (lap or side) resulted in substantial overestimation of BP readings and may lead to misdiagnosis and overestimation of hypertension.

Trial Registration

ClinicalTrials.gov Identifier: NCT05372328
Sexual Orientation Discrimination in Early Adolescents
Authors: Nagata Jason M. , Wong Jennifer H. , Helmer Christiane K. , Domingue Sydnie K. , Shim Joan E. , Al-Shoaibi Abubakr
Published: October 2024

This cross-sectional study examined the prevalence of sexual orientation discrimination and its sociodemographic correlates among a large, diverse sample of early adolescents in the US.
Domain swapping: a mathematical model for quantitative assessment of structural effects
Authors: Roterman Irena , Stapor Katarzyna , Dułak Dawid , Konieczny Leszek
Published: October 2024

The domain‐swapping mechanism involves the exchange of structural elements within a secondary or supersecondary structure between two (or more) proteins. The present paper proposes to interpret the domain‐swapping mechanism using a model that assesses the structure of proteins (and complexes) based on building the structure of a common hydrophobic core in a micelle‐like arrangement (a central hydrophobic core with a polar shell in contact with polar water), which has a considerable impact on the stabilisation of the domain structure built by domain swapping. Domains with a hydrophobicity system that is incompatible with the micelle‐like structure have also been identified. This incompatibility is the form of structural codes related to biological function.
Blood‐Brain Barrier‐Penetrating Metal‐Organic Framework Antioxidant Nanozymes for Targeted Ischemic Stroke Therapy
Authors: Chen Qing , Wang Jin , Xiong Xiaoxing , Chen Junyang , Wang Bo , Yang Haixia , Zhou Jianliang , Deng Hongping , Gu Lijuan , Tian Jian
Published: October 2024

Overproduction of reactive oxygen species (ROS) during reperfusion in ischemic stroke (IS) severely impedes neuronal survival and results in high rates of morbidity and disability. The effective blood‐brain barrier (BBB) penetration and brain delivery of antioxidative agents remain the biggest challenge in treating ischemic reperfusion‐induced cerebrovascular and neural injury. In this study, a metal‐organic framework (MOF) nanozyme (MIL‐101‐NH2(Fe/Cu)) with ROS scavenging activities to encapsulate neuroprotective agent rapamycin is fabricated and decorating the exterior with BBB‐targeting protein ligands (transferrin), thereby realizing enhanced drug retention and controlled release within ischemic lesions for the synergistic treatment of IS. Through the receptor‐mediated transcellular pathway, the transferrin‐coated MOF nanoparticles achieved efficient transport across the BBB and targeted accumulation at the cerebral ischemic injury site of mice with middle cerebral artery occlusion/reperfusion (MCAO/R), wherein the nanocarrier exhibited catalytic activities of ROS decomposition into O2 and H2O2‐responsive rapamycin release. By its BBB‐targeting, antioxidative, anti‐inflammatory, and antiapoptotic properties, the MOF nanosystem addressed multiple pathological factors of IS and realized remarkable neuroprotective effects, leading to the substantial reduction of cerebral infarction volume and accelerated recovery of nerve functions in the MCAO/R mouse model. This MOF‐based nanomedicine provides valuable design principles for effective IS therapy with multi‐mechanism synergies.
A NIR‐II Organic Dendrimer with Superb Photothermal Performance Based on Electron‐Donor Iteration for Photothermal Immunotherapy
Authors: Kong Xiangwei , Liang Jie , Lu Min , Zhang Kaixin , Zhao Engui , Kang Xingjian , Wang Guan , Yu Qingsong , Gan Zhihua , Gu Xinggui
Published: October 2024

Organic photothermal materials have attracted extensive attention due to their designable molecular structure, tunable excited‐state properties, and excellent biocompatibility, however, the development of near‐infrared II (NIR‐II) absorbing organic photothermal materials with high photothermal conversion efficiency (PTCE) and molar extinction coefficient (ɛ) remains challenging. Herein, a novel “electron‐donor iteration” strategy is proposed to construct organic photothermal dendrimers (CR‐DPA‐T, CR‐(DPA)2‐T and CR‐(DPA)3‐T) with donor‐π‐acceptor‐π‐donor (D‐π‐A‐π‐D) features and diradical characteristics. Owing to the enhanced D–A effect and intramolecular motions, their absorption and photothermal capacity increase as the generation grows. Surprisingly, an excellent photothermal performance (ɛ1064 × PTCE1064) with a superb value of 2.85 × 104 in the NIR‐II region is achieved for CR‐(DPA)3‐T nanoparticles (CR‐(DPA)3‐T NPs) compared to most reported counterparts. Besides, CR‐(DPA)3‐T NPs exhibit superior antitumor efficacy by the synergistic effect of photothermal therapy (PTT) and immunotherapy, efficiently inhibiting the growth of both primary and distant tumors. To the best knowledge, organic photothermal dendrimer is for the first time reported, and a universal donor engineering strategy is offered to develop NIR‐II‐absorbing organic photothermal materials for photothermal immunotherapy.
Crosslinkable Ligands for High‐Density Photo‐Patterning of Perovskite Nanocrystals
Authors: Ong Woan Yuann Evon , Tan Yong Zheng Daniel , Lim Li Jun , Hoang Truong Giang , Tan Zhi‐Kuang
Published: October 2024

Perovskite nanocrystals (PNCs) are promising luminescent materials for electronic color displays due to their high luminescence efficiency, widely‐tunable emission wavelengths, and narrow emission linewidth. Their application in emerging display technologies necessitates precise micron‐scale patterning while maintaining good optical performance. Although photolithography is a well‐established micro‐patterning technique in the industry, conventional processes are incompatible with PNCs as the use of polar solvents can damage the ionic PNCs, causing severe luminescence quenching. Here, we report the rational design and synthesis of a new bidentate photo‐crosslinkable ligand for the direct photo‐patterning of PNCs. Each ligand contains two photosensitive acrylate groups and two carboxylate groups, and is introduced to the PNCs via an entropy‐driven ligand exchange process. In a close‐packed thin film, the acrylate ligands photo‐polymerize and crosslink under ultraviolet light, rendering the PNCs insoluble in developing solvents. A high‐density crosslinked PNC film with an optical density of 1.1 is attained at 1.4 µm thickness, surpassing industry requirements on the absorption coefficient. Micron‐scale patterning is further demonstrated using direct laser writing, producing well‐defined 20 µm features. This study thus offers an effective and versatile approach for micro‐patterning PNCs, and may also be broadly applicable to other nanomaterial systems.
CYLD Maintains Retinal Homeostasis by Deubiquitinating ENKD1 and Promoting the Phagocytosis of Photoreceptor Outer Segments
Authors: Yang Song , Yu Fan , Yang Mulin , Ni Hua , Bu Weiwen , Yin Hanxiao , Yang Jia , Wang Weishu , Zhai Denghui , Wu Xuemei , Ma Nan , Li Te , Hao Huijie , Ran Jie , Song Ting , Li Dengwen , Yoshida Sei , Lu Quanlong , Yang Yunfan , Zhou Jun , Liu Min
Published: October 2024

Phagocytosis of shed photoreceptor outer segments by the retinal pigment epithelium (RPE) is essential for retinal homeostasis. Dysregulation of the phagocytotic process is associated with irreversible retinal degenerative diseases. However, the molecular mechanisms underlying the phagocytic activity of RPE cells remain elusive. In an effort to uncover proteins orchestrating retinal function, the cylindromatosis (CYLD) deubiquitinase is identified as a critical regulator of photoreceptor outer segment phagocytosis. CYLD‐deficient mice exhibit abnormal retinal structure and function. Mechanistically, CYLD interacts with enkurin domain containing protein 1 (ENKD1) and deubiquitinates ENKD1 at lysine residues K141 and K242. Deubiquitinated ENKD1 interacts with Ezrin, a membrane‐cytoskeleton linker, and stimulates the microvillar localization of Ezrin, which is essential for the phagocytic activity of RPE cells. These findings thus reveal a crucial role for the CYLD‐ENKD1‐Ezrin axis in regulating retinal homeostasis and may have important implications for the prevention and treatment of retinal degenerative diseases.
Light‐Controlled Magnetic Properties: An Energy‐Efficient Opto‐Mechanical Control over Magnetic Films by Liquid Crystalline Networks
Authors: Barrera Gabriele , Martella Daniele , Celegato Federica , Fuochi Neri , Coïsson Marco , Parmeggiani Camilla , Wiersma Diederik S. , Tiberto Paola
Published: October 2024

Magnetostrictive materials are essential components in sensors, actuators, and energy‐storage devices due to their ability to convert mechanical stress into changes in magnetic properties and vice‐versa. However, their operation typically requires physical contact to apply stress or relies on magnetic field sources to control magnetic properties. This poses significant limitations to devices miniaturization and their integration into contactless technologies. This work reports on an approach that overcomes these limitations by using light to transfer mechanical stress to a magnetostrictive device, thereby achieving non‐contact and reversible opto‐mechanical control of its magnetic and electrical properties. The proposed solution combines a magnetostrictive Fe70Ga30 thin film with a photo‐responsive Liquid Crystalline Network (LCN). Magnetic properties are modulated by changing the light wavelength and illumination time. Remarkably, the stable shape change of the LCN induced by ultraviolet (UV) light leads to the retention of magnetic properties even after the light is switched off, resulting in a magnetic memory effect with an energy consumption advantage over the use of conventional magnetic field applicators. The memory effect is erased by visible light, which releases the mechanical stress in the photoresponsive layer. Therefore, this new composite material creates a fully reconfigurable magnetic system controlled by light.
Deciphering the Morphology Evolution of Layer‐by‐Layer Processing Via In Situ Spectroscopy Measurement for High‐Performance Organic Photovoltaics
Authors: Wang Yiming , Zheng Xiangjun , Chen Tianyi , Wang Mengting , Li Yaokai , Kong YiBo , Fu Yuang , Song Zhicheng , Lu Guanghao , Bi Zhaozhao , Ma Wei , Lu Xinhui , Chen Hongzheng , Zuo Lijian
Published: October 2024

Although the layer‐by‐layer (LBL) processing can usually achieve an optimal bulk‐heterojunction morphology for high‐performance Organic photovoltaics (OPVs), the unambiguous working principles governing the morphology evolution are still lacking. To address this issue, here the phase‐separation kinetics of LBL processing are comprehensively studied using in situ spectroscopies, which are very sensitive to the intermolecular interactions, e.g. the molecular packing and D:A phase‐separation. Upon casting the nonfullerene acceptor (i.e., the BTP‐eC9) solution on top of the polymer donor, i.e., PM6, it is found that 1) the solvent will first swell the polymer and induce a polymer gel, 2) following the polymer gelation, the NFAs will immediately permeate into the cavities of polymer gel and form a molecular‐level D:A mixing, and 3) with the evaporation of the solvent, phase‐separation between the donor and acceptor occurs and results in a bulk‐heterojunction morphology as those achieved with blend‐cast processing. With these understandings, more diverse processing conditions have been purposely utilized to dictate the phase evolution process precisely. As a result, a high efficiency of 19.7% is reached, representing one of the best among binary OPVs. Therefore, this work deciphers phase‐separation kinetics of LBL processing and should pave the way toward advanced morphology control for high‐performance OPVs.
From Ions to Crystals: A Comprehensive View of the Non‐Classical Nucleation of Calcium Sulfate
Authors: Kellermeier Matthias , Scheck Johanna , Drechsler Markus , Rosenberg Rose , Stawski Tomasz M. , Fernandez‐Martinez Alejandro , Gebauer Denis , Van Driessche Alexander E. S.
Published: October 2024

The early stages of mineralization continue to be in the focus of intensive research due to their inherent importance for natural and engineered environments. While numerous observations have been reported for single steps in the pathways of various crystallizing phases in previous studies, the complexity of the underlying processes and their elusive character have left central questions unanswered in most cases. In the present work, we provide a detailed view on the nucleation of calcium sulfate mineralization—an abundant mineral with broad use in construction industry—in aqueous systems at ambient conditions. As experimental basis, a co‐titration procedure with potentiometric, turbidimetric and conductometric detection was developed, allowing solution speciation and the formation of crystallization precursors to be monitored quantitatively as the level of nominal (super)saturation gradually increases. The nature and spatiotemporal evolution of these precursors was further elucidated by time‐resolved small‐angle X‐ray scattering (SAXS) and analytical ultracentrifugation (AUC) experiments, complemented by cryogenic transmission electron microscopy (cryo‐TEM) as a direct imaging technique. The results reveal how ions associate into nanometric primary species, which subsequently aggregate and develop anisotropic order by intrinsic structural reorganization. Our observations challenge the common understanding of fundamental notions such as the nucleation barrier or the meaning of supersaturation, with broad implications for mineralization phenomena in general and the formation of calcium sulfate in geochemical settings and industrial applications in particular.
Adaptive prescribed performance control for spacecraft attitude synchronization subject to external disturbances with guaranteed steady‐state performance
Authors: Li Zichuang , Dai Ming‐Zhe , Hu Wenfeng
Published: October 2024

This paper proposes an adaptive prescribed performance control approach for multiple spacecraft attitude synchronization with the undirected topology. A novel distributed observer is proposed to estimate the states of the leader spacecraft while the estimation value of attitude is still a unit quaternion. Then we design the adaptive prescribed performance control algorithm restrain the external disturbances and parameter uncertainty. By the unit quaternion estimation value of attitude, we make the extension from single spacecraft to multiple spacecraft. Compared to some previous results, the bounds of attitude tracking error and angular velocity error in the steady state can be adjusted by users.
Recent progress in high‐entropy nanocatalysts
Authors: Kuang Ling‐Feng , Zhang Lei , Li Hui , Qin Hai‐Ying , Chi Hong‐Zhong , Liu Jia‐Bin , Zhang Jing , Yan Feng , Xiao Xue‐Zhang
Published: October 2024

High‐entropy alloys (HEAs) are a promising group of materials composed of multiple elements (≥5) in nearly equal proportions (5 at%–35 at%), which exhibit uniformly mixed compositions and highly stable crystal structures and offer a wide range of design possibilities, making them exceptionally stable, multifunctional, and suitable for various applications. Recent research studies have identified the potential of HEAs as catalysts for electrocatalytic reactions, focusing on adjustable stress environments, optimizable d‐band centers, and high conformational entropy. Understanding the interactions among constituent elements, alloy formation, and catalytic reaction mechanisms is essential for optimizing HEAs' catalytic performance. This comprehensive review delves into the historical context, defining characteristics, and underlying significance of HEAs development. It also examines four primary effects of HEAs (high‐entropy effect, lattice distortion, sluggish diffusion, and cocktail effect) and their relevance to catalyst design criteria (selectivity, activity, stability, and cost). Additionally, it summarizes recent advances in nanostructured HEA catalyst synthesis, highlighting their advantages and challenges and explores the use of HEAs in electrocatalytic redox reactions involving small molecules (H, C, O, N). The paper underscores the importance of integrating experimental methods and theoretical calculations to design, synthesize, and understand alloy–property relationships of HEAs, emphasizing their vast potential for catalytic applications.
Recent Progress in the Auxiliary Phase Enhanced Flexible Piezocomposites
Authors: Gao Xin , Zheng Mupeng , Hou Boyue , Wu Junshu , Zhu Mankang , Zhang Yunfan , Wang Ke , Han Bing
Published: October 2024

Piezocomposites with both flexibility and electromechanical conversion characteristics have been widely applied in various fields, including sensors, energy harvesting, catalysis, and biomedical treatment. In the composition of piezocomposites or their preparation process, a category of materials is commonly employed that do not possess piezoelectric properties themselves but play a crucial role in performance enhancement. In this review, the concept of auxiliary phase is first proposed to define these materials, aiming to provide a new perspective for designing high‐performance piezocomposites. Three different categories of modulation forms of auxiliary phase in piezocomposites are systematically summarized, including the modification of piezo‐matrix, the modification of piezo‐fillers, and the construction of special structures. Each category emphasizes the role of the auxiliary phase and systematically discusses the latest advancements and the physical mechanisms of the auxiliary phase enhanced flexible piezocomposites. Finally, a summary and future outlook of piezocomposites based on the auxiliary phase are provided.
GWASBrewer: An R Package for Simulating Realistic GWAS Summary Statistics
Authors: Morrison Jean
Published: October 2024

Many statistical genetics analysis methods make use of GWAS summary statistics. Best statistical practice requires evaluating these methods in realistic simulation experiments. However, simulating summary statistics by first simulating individual genotype and phenotype data is extremely computationally demanding. This high cost may force researchers to conduct overly simplistic simulations that fail to accurately measure method performance. Alternatively, summary statistics can be simulated directly from their theoretical distribution. Although this is a common need among statistical genetics researchers, no software packages exist for comprehensive GWAS summary statistic simulation. We present GWASBrewer, an open source R package for direct simulation of GWAS summary statistics. We show that statistics simulated by
GWASBrewer have the same distribution as statistics generated from individual level data, and can be produced at a fraction of the computational expense. Additionally,
GWASBrewer can simulate standard error estimates, something that is typically not done when sampling summary statistics directly.
GWASBrewer is highly flexible, allowing the user to simulate data for multiple traits connected by causal effects and with complex distributions of effect sizes. We demonstrate example uses of
GWASBrewer for evaluating Mendelian randomization, polygenic risk score, and heritability estimation methods.
Watershed‐scale spatial prediction of agricultural land phosphorus mass balance and soil phosphorus metrics: A bottom‐up approach
Authors: Bondeson Finn A. , Faulkner Joshua W. , Chin Tiffany L. , Schroth Andrew W. , Winchell Michael , Michaud Aubert , Niang Mohamed , Roy Eric D.
Published: October 2024

Analysis of nutrient balance at the watershed scale, including for phosphorus (P), is typically accomplished using aggregate input datasets, resulting in an inability to capture the variability of P status across the study region. This study presents a set of methods to predict and visualize partial P mass balance, soil P saturation ratio (PSR), and soil test P for agricultural parcels across a watershed in the Lake Champlain Basin (Vermont, USA) using granular, field‐level data. K‐means cluster analyses were used to group agricultural parcels by soil texture, average slope, and crop type. Using a set of parcels accounting for ∼21% of the watershed's agricultural land and having known soil test and nutrient management parameters, predictions of partial P mass balance, PSR, and soil test P for agricultural land across the watershed were made by cluster, incorporating uncertainty. This resulted in an average partial P balance of 5.5 ± 0.2 kg P ha−1 year−1 and an average PSR of 0.0399 ± 0.0002. Furthermore, approximately 30% of agricultural land had predicted soil test P values above optimum levels. Results were used to visualize areas with high P loss potential. Such data and visualizations can inform watershed P modeling and assist practitioners in nutrient management decision making. These techniques can also serve as a framework for bottom‐up modeling of nutrient mass balance and soil metrics in other regions.